USER MOD reduce.3.24.130724 H: found=0, std=0, add=1626, rem=0, adj=58 USER MOD reduce.3.24.130724 removed 1626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 85 MET CE :methyl 161:sc= -0.284 (180deg=-1.07) USER MOD Set 1.2: B 86 CYS SG : rot 49:sc= -0.215 USER MOD Set 2.1: B 31 LYS NZ :NH3+ -141:sc= 0.337 (180deg=0) USER MOD Set 2.2: B 68 ASN :FLIP amide:sc= 0.188 F(o=-1.3,f=0.52) USER MOD Set 3.1: A 85 MET CE :methyl 157:sc= -0.165 (180deg=-1.02) USER MOD Set 3.2: A 86 CYS SG : rot 52:sc= -0.13 USER MOD Set 4.1: A 31 LYS NZ :NH3+ -143:sc= 0.397 (180deg=0) USER MOD Set 4.2: A 68 ASN :FLIP amide:sc= 0.224 F(o=-1.7,f=0.62) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0371 (180deg=-0.364) USER MOD Single : A 3 CYS SG : rot 126:sc= 0.744 USER MOD Single : A 7 LYS NZ :NH3+ -111:sc= -1.47 (180deg=-3.99!) USER MOD Single : A 12 MET CE :methyl -167:sc= -0.632 (180deg=-1.42!) USER MOD Single : A 14 SER OG : rot 76:sc= 1.2 USER MOD Single : A 15 THR OG1 : rot -113:sc= 1.12 USER MOD Single : A 17 HIS : no HD1:sc= -0.0222 X(o=-0.022,f=-0.22) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.012 USER MOD Single : A 20 SER OG : rot -44:sc= 0.996 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.54 K(o=-0.54,f=-5.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -77:sc= 0.178 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 179:sc= 0 (180deg=-0.00271) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= -0.366 F(o=-1.4,f=-0.37) USER MOD Single : A 64 SER OG : rot 140:sc= -0.191 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0109 F(o=-1.4,f=-0.011) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 75 TYR OH : rot 110:sc= -1.66 USER MOD Single : A 76 CYS SG : rot 96:sc= 1.01 USER MOD Single : A 80 SER OG : rot -47:sc= 0.101 USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -159:sc= -0.548 (180deg=-1.54) USER MOD Single : A 87 ASN : amide:sc= -5.11! C(o=-5.1!,f=-11!) USER MOD Single : A 96 LYS NZ :NH3+ -136:sc= -0.248 (180deg=-1.88) USER MOD Single : A 97 GLN :FLIP amide:sc= -0.316 F(o=-2.7!,f=-0.32) USER MOD Single : A 100 LYS NZ :NH3+ -155:sc= -0.188 (180deg=-1.11) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -164:sc= -0.0198 (180deg=-0.285) USER MOD Single : B 3 CYS SG : rot 127:sc= 0.762 USER MOD Single : B 7 LYS NZ :NH3+ -109:sc= -1.73 (180deg=-4.02!) USER MOD Single : B 12 MET CE :methyl -164:sc= -0.658 (180deg=-1.32!) USER MOD Single : B 14 SER OG : rot 80:sc= 1.21 USER MOD Single : B 15 THR OG1 : rot -121:sc= 1.06 USER MOD Single : B 17 HIS : no HD1:sc= -0.0155 X(o=-0.015,f=-0.26) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 180:sc= -0.0238 USER MOD Single : B 20 SER OG : rot -41:sc= 1.05 USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 ASN : amide:sc= -0.468 K(o=-0.47,f=-5.6!) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot -75:sc= 0.163 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 56 GLN : amide:sc= -0.0138 K(o=-0.014,f=-1.6!) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 MET CE :methyl 179:sc=-0.00408 (180deg=-0.00465) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 ASN :FLIP amide:sc= -0.368 F(o=-1.5,f=-0.37) USER MOD Single : B 64 SER OG : rot 140:sc= -0.189 USER MOD Single : B 65 ASN :FLIP amide:sc=-0.00562 F(o=-1.5,f=-0.0056) USER MOD Single : B 73 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 75 TYR OH : rot 120:sc= -1.42 USER MOD Single : B 76 CYS SG : rot 64:sc= 0.944 USER MOD Single : B 80 SER OG : rot -42:sc= 0.0105 USER MOD Single : B 81 CYS SG : rot 180:sc= 0 USER MOD Single : B 84 MET CE :methyl -158:sc= -0.729 (180deg=-1.76!) USER MOD Single : B 87 ASN : amide:sc= -5.29! C(o=-5.3!,f=-12!) USER MOD Single : B 96 LYS NZ :NH3+ -139:sc= -0.336 (180deg=-2.01!) USER MOD Single : B 97 GLN :FLIP amide:sc= -0.305 F(o=-2.7!,f=-0.31) USER MOD Single : B 100 LYS NZ :NH3+ -157:sc= -0.188 (180deg=-1.05) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.100 3.405 -18.607 1.00 0.00 N ATOM 2 CA MET A 1 71.743 2.475 -19.578 1.00 0.00 C ATOM 3 C MET A 1 73.179 2.182 -19.133 1.00 0.00 C ATOM 4 O MET A 1 73.470 1.125 -18.611 1.00 0.00 O ATOM 5 CB MET A 1 71.752 3.112 -20.970 1.00 0.00 C ATOM 6 CG MET A 1 70.316 3.211 -21.489 1.00 0.00 C ATOM 7 SD MET A 1 70.319 3.962 -23.137 1.00 0.00 S ATOM 8 CE MET A 1 68.526 3.992 -23.373 1.00 0.00 C ATOM 0 H1 MET A 1 70.066 3.355 -18.711 1.00 0.00 H new ATOM 0 H2 MET A 1 71.364 3.133 -17.639 1.00 0.00 H new ATOM 0 H3 MET A 1 71.420 4.377 -18.793 1.00 0.00 H new ATOM 0 HA MET A 1 71.180 1.542 -19.614 1.00 0.00 H new ATOM 0 HB2 MET A 1 72.204 4.103 -20.926 1.00 0.00 H new ATOM 0 HB3 MET A 1 72.357 2.515 -21.652 1.00 0.00 H new ATOM 0 HG2 MET A 1 69.864 2.220 -21.530 1.00 0.00 H new ATOM 0 HG3 MET A 1 69.712 3.809 -20.807 1.00 0.00 H new ATOM 0 HE1 MET A 1 68.294 4.425 -24.346 1.00 0.00 H new ATOM 0 HE2 MET A 1 68.136 2.975 -23.326 1.00 0.00 H new ATOM 0 HE3 MET A 1 68.066 4.594 -22.589 1.00 0.00 H new ATOM 20 N ALA A 2 74.080 3.107 -19.332 1.00 0.00 N ATOM 21 CA ALA A 2 75.491 2.865 -18.914 1.00 0.00 C ATOM 22 C ALA A 2 75.557 2.781 -17.387 1.00 0.00 C ATOM 23 O ALA A 2 74.924 3.546 -16.688 1.00 0.00 O ATOM 24 CB ALA A 2 76.373 4.016 -19.402 1.00 0.00 C ATOM 0 H ALA A 2 73.902 4.014 -19.763 1.00 0.00 H new ATOM 0 HA ALA A 2 75.846 1.930 -19.347 1.00 0.00 H new ATOM 0 HB1 ALA A 2 77.404 3.839 -19.096 1.00 0.00 H new ATOM 0 HB2 ALA A 2 76.322 4.078 -20.489 1.00 0.00 H new ATOM 0 HB3 ALA A 2 76.022 4.952 -18.969 1.00 0.00 H new ATOM 30 N CYS A 3 76.317 1.852 -16.863 1.00 0.00 N ATOM 31 CA CYS A 3 76.425 1.709 -15.377 1.00 0.00 C ATOM 32 C CYS A 3 77.875 1.369 -14.994 1.00 0.00 C ATOM 33 O CYS A 3 78.166 0.260 -14.593 1.00 0.00 O ATOM 34 CB CYS A 3 75.491 0.584 -14.913 1.00 0.00 C ATOM 35 SG CYS A 3 75.505 -0.754 -16.132 1.00 0.00 S ATOM 0 H CYS A 3 76.869 1.184 -17.401 1.00 0.00 H new ATOM 0 HA CYS A 3 76.140 2.645 -14.896 1.00 0.00 H new ATOM 0 HB2 CYS A 3 75.812 0.208 -13.941 1.00 0.00 H new ATOM 0 HB3 CYS A 3 74.478 0.966 -14.788 1.00 0.00 H new ATOM 0 HG CYS A 3 75.802 -1.874 -15.543 1.00 0.00 H new ATOM 41 N PRO A 4 78.777 2.315 -15.109 1.00 0.00 N ATOM 42 CA PRO A 4 80.204 2.066 -14.753 1.00 0.00 C ATOM 43 C PRO A 4 80.370 1.683 -13.276 1.00 0.00 C ATOM 44 O PRO A 4 81.311 1.012 -12.899 1.00 0.00 O ATOM 45 CB PRO A 4 80.874 3.420 -15.073 1.00 0.00 C ATOM 46 CG PRO A 4 79.834 4.327 -15.762 1.00 0.00 C ATOM 47 CD PRO A 4 78.446 3.681 -15.603 1.00 0.00 C ATOM 0 HA PRO A 4 80.641 1.229 -15.297 1.00 0.00 H new ATOM 0 HB2 PRO A 4 81.239 3.888 -14.159 1.00 0.00 H new ATOM 0 HB3 PRO A 4 81.737 3.272 -15.722 1.00 0.00 H new ATOM 0 HG2 PRO A 4 79.843 5.321 -15.316 1.00 0.00 H new ATOM 0 HG3 PRO A 4 80.077 4.449 -16.818 1.00 0.00 H new ATOM 0 HD2 PRO A 4 77.823 4.228 -14.895 1.00 0.00 H new ATOM 0 HD3 PRO A 4 77.903 3.650 -16.548 1.00 0.00 H new ATOM 55 N LEU A 5 79.459 2.099 -12.442 1.00 0.00 N ATOM 56 CA LEU A 5 79.561 1.753 -10.999 1.00 0.00 C ATOM 57 C LEU A 5 79.541 0.232 -10.873 1.00 0.00 C ATOM 58 O LEU A 5 80.159 -0.343 -9.999 1.00 0.00 O ATOM 59 CB LEU A 5 78.367 2.346 -10.239 1.00 0.00 C ATOM 60 CG LEU A 5 78.463 2.000 -8.742 1.00 0.00 C ATOM 61 CD1 LEU A 5 79.726 2.639 -8.133 1.00 0.00 C ATOM 62 CD2 LEU A 5 77.216 2.528 -8.021 1.00 0.00 C ATOM 0 H LEU A 5 78.649 2.663 -12.698 1.00 0.00 H new ATOM 0 HA LEU A 5 80.482 2.157 -10.579 1.00 0.00 H new ATOM 0 HB2 LEU A 5 78.345 3.428 -10.369 1.00 0.00 H new ATOM 0 HB3 LEU A 5 77.436 1.957 -10.650 1.00 0.00 H new ATOM 0 HG LEU A 5 78.524 0.918 -8.624 1.00 0.00 H new ATOM 0 HD11 LEU A 5 79.786 2.389 -7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 5 80.610 2.259 -8.646 1.00 0.00 H new ATOM 0 HD13 LEU A 5 79.677 3.722 -8.248 1.00 0.00 H new ATOM 0 HD21 LEU A 5 77.279 2.285 -6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 5 77.156 3.609 -8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 5 76.326 2.065 -8.447 1.00 0.00 H new ATOM 74 N GLU A 6 78.815 -0.418 -11.736 1.00 0.00 N ATOM 75 CA GLU A 6 78.721 -1.899 -11.676 1.00 0.00 C ATOM 76 C GLU A 6 80.115 -2.510 -11.841 1.00 0.00 C ATOM 77 O GLU A 6 80.480 -3.430 -11.137 1.00 0.00 O ATOM 78 CB GLU A 6 77.818 -2.373 -12.816 1.00 0.00 C ATOM 79 CG GLU A 6 77.569 -3.878 -12.692 1.00 0.00 C ATOM 80 CD GLU A 6 76.666 -4.340 -13.838 1.00 0.00 C ATOM 81 OE1 GLU A 6 76.191 -3.489 -14.573 1.00 0.00 O ATOM 82 OE2 GLU A 6 76.465 -5.537 -13.961 1.00 0.00 O ATOM 0 H GLU A 6 78.279 0.018 -12.486 1.00 0.00 H new ATOM 0 HA GLU A 6 78.309 -2.209 -10.716 1.00 0.00 H new ATOM 0 HB2 GLU A 6 76.870 -1.835 -12.788 1.00 0.00 H new ATOM 0 HB3 GLU A 6 78.283 -2.150 -13.776 1.00 0.00 H new ATOM 0 HG2 GLU A 6 78.516 -4.418 -12.720 1.00 0.00 H new ATOM 0 HG3 GLU A 6 77.102 -4.103 -11.733 1.00 0.00 H new ATOM 89 N LYS A 7 80.906 -2.003 -12.746 1.00 0.00 N ATOM 90 CA LYS A 7 82.275 -2.563 -12.914 1.00 0.00 C ATOM 91 C LYS A 7 83.099 -2.162 -11.705 1.00 0.00 C ATOM 92 O LYS A 7 83.768 -2.969 -11.096 1.00 0.00 O ATOM 93 CB LYS A 7 82.926 -1.999 -14.179 1.00 0.00 C ATOM 94 CG LYS A 7 81.968 -2.168 -15.353 1.00 0.00 C ATOM 95 CD LYS A 7 82.708 -1.917 -16.673 1.00 0.00 C ATOM 96 CE LYS A 7 83.207 -0.467 -16.734 1.00 0.00 C ATOM 97 NZ LYS A 7 84.504 -0.358 -16.009 1.00 0.00 N ATOM 0 H LYS A 7 80.666 -1.233 -13.370 1.00 0.00 H new ATOM 0 HA LYS A 7 82.222 -3.648 -13.003 1.00 0.00 H new ATOM 0 HB2 LYS A 7 83.167 -0.945 -14.040 1.00 0.00 H new ATOM 0 HB3 LYS A 7 83.864 -2.516 -14.382 1.00 0.00 H new ATOM 0 HG2 LYS A 7 81.547 -3.173 -15.348 1.00 0.00 H new ATOM 0 HG3 LYS A 7 81.134 -1.473 -15.256 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.550 -2.603 -16.762 1.00 0.00 H new ATOM 0 HD3 LYS A 7 82.044 -2.116 -17.514 1.00 0.00 H new ATOM 0 HE2 LYS A 7 83.331 -0.157 -17.772 1.00 0.00 H new ATOM 0 HE3 LYS A 7 82.471 0.201 -16.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 84.370 0.197 -15.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 84.845 -1.309 -15.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.203 0.114 -16.617 1.00 0.00 H new ATOM 111 N ALA A 8 83.034 -0.920 -11.330 1.00 0.00 N ATOM 112 CA ALA A 8 83.800 -0.485 -10.137 1.00 0.00 C ATOM 113 C ALA A 8 83.293 -1.304 -8.959 1.00 0.00 C ATOM 114 O ALA A 8 84.050 -1.784 -8.142 1.00 0.00 O ATOM 115 CB ALA A 8 83.603 1.009 -9.885 1.00 0.00 C ATOM 0 H ALA A 8 82.489 -0.193 -11.793 1.00 0.00 H new ATOM 0 HA ALA A 8 84.868 -0.645 -10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.173 1.308 -9.005 1.00 0.00 H new ATOM 0 HB2 ALA A 8 83.950 1.573 -10.751 1.00 0.00 H new ATOM 0 HB3 ALA A 8 82.545 1.214 -9.718 1.00 0.00 H new ATOM 121 N LEU A 9 82.010 -1.518 -8.899 1.00 0.00 N ATOM 122 CA LEU A 9 81.466 -2.366 -7.813 1.00 0.00 C ATOM 123 C LEU A 9 82.122 -3.729 -7.971 1.00 0.00 C ATOM 124 O LEU A 9 82.524 -4.359 -7.011 1.00 0.00 O ATOM 125 CB LEU A 9 79.941 -2.477 -7.946 1.00 0.00 C ATOM 126 CG LEU A 9 79.366 -3.357 -6.825 1.00 0.00 C ATOM 127 CD1 LEU A 9 79.699 -2.756 -5.447 1.00 0.00 C ATOM 128 CD2 LEU A 9 77.844 -3.447 -6.992 1.00 0.00 C ATOM 0 H LEU A 9 81.321 -1.144 -9.552 1.00 0.00 H new ATOM 0 HA LEU A 9 81.674 -1.944 -6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 9 79.493 -1.484 -7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 9 79.685 -2.901 -8.917 1.00 0.00 H new ATOM 0 HG LEU A 9 79.808 -4.351 -6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 9 79.285 -3.391 -4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 9 80.781 -2.693 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 9 79.267 -1.758 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 9 77.427 -4.070 -6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 9 77.412 -2.448 -6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 9 77.610 -3.887 -7.961 1.00 0.00 H new ATOM 140 N ASP A 10 82.268 -4.172 -9.194 1.00 0.00 N ATOM 141 CA ASP A 10 82.940 -5.473 -9.431 1.00 0.00 C ATOM 142 C ASP A 10 84.423 -5.330 -9.083 1.00 0.00 C ATOM 143 O ASP A 10 85.043 -6.254 -8.602 1.00 0.00 O ATOM 144 CB ASP A 10 82.788 -5.890 -10.896 1.00 0.00 C ATOM 145 CG ASP A 10 83.319 -7.312 -11.073 1.00 0.00 C ATOM 146 OD1 ASP A 10 83.913 -7.822 -10.138 1.00 0.00 O ATOM 147 OD2 ASP A 10 83.117 -7.871 -12.139 1.00 0.00 O ATOM 0 H ASP A 10 81.950 -3.686 -10.033 1.00 0.00 H new ATOM 0 HA ASP A 10 82.482 -6.239 -8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 10 81.741 -5.841 -11.193 1.00 0.00 H new ATOM 0 HB3 ASP A 10 83.335 -5.202 -11.541 1.00 0.00 H new ATOM 152 N VAL A 11 85.005 -4.178 -9.320 1.00 0.00 N ATOM 153 CA VAL A 11 86.452 -4.010 -8.986 1.00 0.00 C ATOM 154 C VAL A 11 86.637 -4.243 -7.486 1.00 0.00 C ATOM 155 O VAL A 11 87.576 -4.887 -7.059 1.00 0.00 O ATOM 156 CB VAL A 11 86.913 -2.589 -9.349 1.00 0.00 C ATOM 157 CG1 VAL A 11 88.315 -2.334 -8.784 1.00 0.00 C ATOM 158 CG2 VAL A 11 86.939 -2.426 -10.876 1.00 0.00 C ATOM 0 H VAL A 11 84.548 -3.360 -9.724 1.00 0.00 H new ATOM 0 HA VAL A 11 87.047 -4.727 -9.552 1.00 0.00 H new ATOM 0 HB VAL A 11 86.216 -1.870 -8.919 1.00 0.00 H new ATOM 0 HG11 VAL A 11 88.635 -1.325 -9.045 1.00 0.00 H new ATOM 0 HG12 VAL A 11 88.295 -2.439 -7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 11 89.014 -3.057 -9.205 1.00 0.00 H new ATOM 0 HG21 VAL A 11 87.266 -1.417 -11.129 1.00 0.00 H new ATOM 0 HG22 VAL A 11 87.630 -3.150 -11.308 1.00 0.00 H new ATOM 0 HG23 VAL A 11 85.939 -2.594 -11.277 1.00 0.00 H new ATOM 168 N MET A 12 85.738 -3.742 -6.680 1.00 0.00 N ATOM 169 CA MET A 12 85.854 -3.960 -5.209 1.00 0.00 C ATOM 170 C MET A 12 85.817 -5.462 -4.939 1.00 0.00 C ATOM 171 O MET A 12 86.549 -5.986 -4.126 1.00 0.00 O ATOM 172 CB MET A 12 84.672 -3.297 -4.501 1.00 0.00 C ATOM 173 CG MET A 12 84.879 -3.340 -2.980 1.00 0.00 C ATOM 174 SD MET A 12 83.284 -3.156 -2.149 1.00 0.00 S ATOM 175 CE MET A 12 82.708 -1.725 -3.089 1.00 0.00 C ATOM 0 H MET A 12 84.931 -3.193 -6.976 1.00 0.00 H new ATOM 0 HA MET A 12 86.785 -3.530 -4.840 1.00 0.00 H new ATOM 0 HB2 MET A 12 84.571 -2.264 -4.833 1.00 0.00 H new ATOM 0 HB3 MET A 12 83.746 -3.808 -4.765 1.00 0.00 H new ATOM 0 HG2 MET A 12 85.344 -4.283 -2.692 1.00 0.00 H new ATOM 0 HG3 MET A 12 85.556 -2.543 -2.672 1.00 0.00 H new ATOM 0 HE1 MET A 12 81.839 -1.291 -2.595 1.00 0.00 H new ATOM 0 HE2 MET A 12 83.503 -0.981 -3.144 1.00 0.00 H new ATOM 0 HE3 MET A 12 82.434 -2.038 -4.097 1.00 0.00 H new ATOM 185 N VAL A 13 84.945 -6.154 -5.608 1.00 0.00 N ATOM 186 CA VAL A 13 84.835 -7.624 -5.398 1.00 0.00 C ATOM 187 C VAL A 13 85.958 -8.356 -6.148 1.00 0.00 C ATOM 188 O VAL A 13 86.567 -9.268 -5.628 1.00 0.00 O ATOM 189 CB VAL A 13 83.472 -8.088 -5.902 1.00 0.00 C ATOM 190 CG1 VAL A 13 83.312 -9.593 -5.676 1.00 0.00 C ATOM 191 CG2 VAL A 13 82.390 -7.332 -5.133 1.00 0.00 C ATOM 0 H VAL A 13 84.299 -5.766 -6.295 1.00 0.00 H new ATOM 0 HA VAL A 13 84.933 -7.852 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 13 83.384 -7.887 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 13 82.336 -9.914 -6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 13 84.094 -10.127 -6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.393 -9.812 -4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.407 -7.651 -5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.485 -7.544 -4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.505 -6.261 -5.302 1.00 0.00 H new ATOM 201 N SER A 14 86.233 -7.973 -7.368 1.00 0.00 N ATOM 202 CA SER A 14 87.315 -8.663 -8.133 1.00 0.00 C ATOM 203 C SER A 14 88.650 -8.513 -7.402 1.00 0.00 C ATOM 204 O SER A 14 89.392 -9.462 -7.248 1.00 0.00 O ATOM 205 CB SER A 14 87.433 -8.049 -9.527 1.00 0.00 C ATOM 206 OG SER A 14 86.226 -8.271 -10.243 1.00 0.00 O ATOM 0 H SER A 14 85.760 -7.218 -7.865 1.00 0.00 H new ATOM 0 HA SER A 14 87.067 -9.721 -8.218 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.632 -6.980 -9.450 1.00 0.00 H new ATOM 0 HB3 SER A 14 88.273 -8.492 -10.062 1.00 0.00 H new ATOM 0 HG SER A 14 85.533 -7.662 -9.912 1.00 0.00 H new ATOM 212 N THR A 15 88.962 -7.331 -6.941 1.00 0.00 N ATOM 213 CA THR A 15 90.248 -7.141 -6.214 1.00 0.00 C ATOM 214 C THR A 15 90.227 -8.021 -4.961 1.00 0.00 C ATOM 215 O THR A 15 91.206 -8.637 -4.598 1.00 0.00 O ATOM 216 CB THR A 15 90.418 -5.648 -5.859 1.00 0.00 C ATOM 217 OG1 THR A 15 91.800 -5.332 -5.799 1.00 0.00 O ATOM 218 CG2 THR A 15 89.760 -5.312 -4.515 1.00 0.00 C ATOM 0 H THR A 15 88.386 -6.495 -7.036 1.00 0.00 H new ATOM 0 HA THR A 15 91.096 -7.434 -6.833 1.00 0.00 H new ATOM 0 HB THR A 15 89.929 -5.057 -6.634 1.00 0.00 H new ATOM 0 HG1 THR A 15 92.044 -5.107 -4.877 1.00 0.00 H new ATOM 0 HG21 THR A 15 89.899 -4.253 -4.296 1.00 0.00 H new ATOM 0 HG22 THR A 15 88.694 -5.535 -4.566 1.00 0.00 H new ATOM 0 HG23 THR A 15 90.219 -5.908 -3.726 1.00 0.00 H new ATOM 226 N PHE A 16 89.097 -8.081 -4.315 1.00 0.00 N ATOM 227 CA PHE A 16 88.957 -8.916 -3.086 1.00 0.00 C ATOM 228 C PHE A 16 89.252 -10.376 -3.446 1.00 0.00 C ATOM 229 O PHE A 16 89.890 -11.096 -2.706 1.00 0.00 O ATOM 230 CB PHE A 16 87.517 -8.792 -2.577 1.00 0.00 C ATOM 231 CG PHE A 16 87.353 -9.506 -1.254 1.00 0.00 C ATOM 232 CD1 PHE A 16 87.155 -10.893 -1.220 1.00 0.00 C ATOM 233 CD2 PHE A 16 87.381 -8.776 -0.061 1.00 0.00 C ATOM 234 CE1 PHE A 16 86.988 -11.547 0.008 1.00 0.00 C ATOM 235 CE2 PHE A 16 87.213 -9.428 1.165 1.00 0.00 C ATOM 236 CZ PHE A 16 87.016 -10.813 1.200 1.00 0.00 C ATOM 0 H PHE A 16 88.252 -7.580 -4.589 1.00 0.00 H new ATOM 0 HA PHE A 16 89.651 -8.584 -2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 16 87.256 -7.740 -2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 16 86.829 -9.213 -3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 16 87.131 -11.458 -2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 16 87.533 -7.707 -0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 16 86.838 -12.616 0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 16 87.235 -8.862 2.085 1.00 0.00 H new ATOM 0 HZ PHE A 16 86.886 -11.316 2.147 1.00 0.00 H new ATOM 246 N HIS A 17 88.789 -10.809 -4.587 1.00 0.00 N ATOM 247 CA HIS A 17 89.031 -12.216 -5.018 1.00 0.00 C ATOM 248 C HIS A 17 90.523 -12.439 -5.255 1.00 0.00 C ATOM 249 O HIS A 17 91.031 -13.525 -5.053 1.00 0.00 O ATOM 250 CB HIS A 17 88.266 -12.513 -6.309 1.00 0.00 C ATOM 251 CG HIS A 17 88.559 -13.925 -6.737 1.00 0.00 C ATOM 252 ND1 HIS A 17 89.502 -14.221 -7.713 1.00 0.00 N ATOM 253 CD2 HIS A 17 88.059 -15.135 -6.320 1.00 0.00 C ATOM 254 CE1 HIS A 17 89.541 -15.561 -7.848 1.00 0.00 C ATOM 255 NE2 HIS A 17 88.682 -16.161 -7.023 1.00 0.00 N ATOM 0 H HIS A 17 88.250 -10.245 -5.244 1.00 0.00 H new ATOM 0 HA HIS A 17 88.682 -12.885 -4.231 1.00 0.00 H new ATOM 0 HB2 HIS A 17 87.196 -12.382 -6.151 1.00 0.00 H new ATOM 0 HB3 HIS A 17 88.561 -11.813 -7.091 1.00 0.00 H new ATOM 0 HD2 HIS A 17 87.300 -15.269 -5.564 1.00 0.00 H new ATOM 0 HE1 HIS A 17 90.187 -16.084 -8.538 1.00 0.00 H new ATOM 0 HE2 HIS A 17 88.516 -17.163 -6.927 1.00 0.00 H new ATOM 264 N LYS A 18 91.239 -11.435 -5.685 1.00 0.00 N ATOM 265 CA LYS A 18 92.692 -11.640 -5.924 1.00 0.00 C ATOM 266 C LYS A 18 93.303 -12.093 -4.603 1.00 0.00 C ATOM 267 O LYS A 18 94.102 -13.008 -4.555 1.00 0.00 O ATOM 268 CB LYS A 18 93.336 -10.322 -6.373 1.00 0.00 C ATOM 269 CG LYS A 18 94.826 -10.544 -6.662 1.00 0.00 C ATOM 270 CD LYS A 18 95.498 -9.206 -6.989 1.00 0.00 C ATOM 271 CE LYS A 18 94.875 -8.592 -8.247 1.00 0.00 C ATOM 272 NZ LYS A 18 95.848 -7.647 -8.865 1.00 0.00 N ATOM 0 H LYS A 18 90.886 -10.498 -5.878 1.00 0.00 H new ATOM 0 HA LYS A 18 92.858 -12.383 -6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 18 92.835 -9.947 -7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 18 93.215 -9.565 -5.598 1.00 0.00 H new ATOM 0 HG2 LYS A 18 95.309 -11.002 -5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 18 94.945 -11.234 -7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 18 95.388 -8.521 -6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 18 96.567 -9.355 -7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 18 94.611 -9.376 -8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 18 93.953 -8.069 -7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 95.430 -7.227 -9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 96.079 -6.893 -8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 96.716 -8.160 -9.121 1.00 0.00 H new ATOM 286 N TYR A 19 92.891 -11.492 -3.525 1.00 0.00 N ATOM 287 CA TYR A 19 93.400 -11.922 -2.197 1.00 0.00 C ATOM 288 C TYR A 19 92.702 -13.227 -1.840 1.00 0.00 C ATOM 289 O TYR A 19 93.264 -14.100 -1.212 1.00 0.00 O ATOM 290 CB TYR A 19 93.073 -10.861 -1.142 1.00 0.00 C ATOM 291 CG TYR A 19 93.828 -9.590 -1.448 1.00 0.00 C ATOM 292 CD1 TYR A 19 95.155 -9.440 -1.026 1.00 0.00 C ATOM 293 CD2 TYR A 19 93.198 -8.557 -2.150 1.00 0.00 C ATOM 294 CE1 TYR A 19 95.850 -8.256 -1.308 1.00 0.00 C ATOM 295 CE2 TYR A 19 93.892 -7.374 -2.432 1.00 0.00 C ATOM 296 CZ TYR A 19 95.218 -7.224 -2.011 1.00 0.00 C ATOM 297 OH TYR A 19 95.901 -6.057 -2.289 1.00 0.00 O ATOM 0 H TYR A 19 92.223 -10.721 -3.506 1.00 0.00 H new ATOM 0 HA TYR A 19 94.481 -12.055 -2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 19 92.001 -10.665 -1.130 1.00 0.00 H new ATOM 0 HB3 TYR A 19 93.342 -11.225 -0.150 1.00 0.00 H new ATOM 0 HD1 TYR A 19 95.643 -10.236 -0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 19 92.175 -8.672 -2.475 1.00 0.00 H new ATOM 0 HE1 TYR A 19 96.873 -8.140 -0.983 1.00 0.00 H new ATOM 0 HE2 TYR A 19 93.404 -6.578 -2.974 1.00 0.00 H new ATOM 0 HH TYR A 19 95.316 -5.446 -2.784 1.00 0.00 H new ATOM 307 N SER A 20 91.459 -13.359 -2.224 1.00 0.00 N ATOM 308 CA SER A 20 90.702 -14.598 -1.895 1.00 0.00 C ATOM 309 C SER A 20 90.872 -14.887 -0.405 1.00 0.00 C ATOM 310 O SER A 20 90.562 -15.957 0.075 1.00 0.00 O ATOM 311 CB SER A 20 91.251 -15.769 -2.706 1.00 0.00 C ATOM 312 OG SER A 20 90.521 -16.947 -2.384 1.00 0.00 O ATOM 0 H SER A 20 90.937 -12.660 -2.752 1.00 0.00 H new ATOM 0 HA SER A 20 89.647 -14.464 -2.136 1.00 0.00 H new ATOM 0 HB2 SER A 20 91.170 -15.557 -3.772 1.00 0.00 H new ATOM 0 HB3 SER A 20 92.309 -15.912 -2.489 1.00 0.00 H new ATOM 0 HG SER A 20 90.400 -17.002 -1.413 1.00 0.00 H new ATOM 318 N GLY A 21 91.379 -13.927 0.322 1.00 0.00 N ATOM 319 CA GLY A 21 91.592 -14.124 1.785 1.00 0.00 C ATOM 320 C GLY A 21 92.670 -15.188 1.989 1.00 0.00 C ATOM 321 O GLY A 21 92.399 -16.301 2.394 1.00 0.00 O ATOM 0 H GLY A 21 91.655 -13.013 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 21 91.895 -13.186 2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 21 90.662 -14.433 2.263 1.00 0.00 H new ATOM 325 N LYS A 22 93.892 -14.850 1.693 1.00 0.00 N ATOM 326 CA LYS A 22 95.009 -15.823 1.843 1.00 0.00 C ATOM 327 C LYS A 22 95.112 -16.276 3.300 1.00 0.00 C ATOM 328 O LYS A 22 95.346 -17.435 3.582 1.00 0.00 O ATOM 329 CB LYS A 22 96.306 -15.138 1.411 1.00 0.00 C ATOM 330 CG LYS A 22 96.181 -14.753 -0.065 1.00 0.00 C ATOM 331 CD LYS A 22 97.454 -14.059 -0.558 1.00 0.00 C ATOM 332 CE LYS A 22 97.649 -12.721 0.164 1.00 0.00 C ATOM 333 NZ LYS A 22 98.525 -11.843 -0.663 1.00 0.00 N ATOM 0 H LYS A 22 94.168 -13.930 1.349 1.00 0.00 H new ATOM 0 HA LYS A 22 94.829 -16.701 1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 22 96.488 -14.252 2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 22 97.155 -15.806 1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 22 95.993 -15.645 -0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 22 95.325 -14.092 -0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 22 98.317 -14.702 -0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 22 97.392 -13.893 -1.634 1.00 0.00 H new ATOM 0 HE2 LYS A 22 96.685 -12.240 0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 22 98.098 -12.884 1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 98.661 -10.933 -0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 99.447 -12.303 -0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 98.078 -11.679 -1.588 1.00 0.00 H new ATOM 347 N GLU A 23 94.935 -15.369 4.229 1.00 0.00 N ATOM 348 CA GLU A 23 95.016 -15.728 5.680 1.00 0.00 C ATOM 349 C GLU A 23 93.616 -15.670 6.300 1.00 0.00 C ATOM 350 O GLU A 23 92.884 -14.717 6.119 1.00 0.00 O ATOM 351 CB GLU A 23 95.941 -14.736 6.396 1.00 0.00 C ATOM 352 CG GLU A 23 95.570 -13.302 6.004 1.00 0.00 C ATOM 353 CD GLU A 23 96.537 -12.325 6.676 1.00 0.00 C ATOM 354 OE1 GLU A 23 96.757 -12.467 7.868 1.00 0.00 O ATOM 355 OE2 GLU A 23 97.041 -11.452 5.988 1.00 0.00 O ATOM 0 H GLU A 23 94.736 -14.386 4.043 1.00 0.00 H new ATOM 0 HA GLU A 23 95.414 -16.737 5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.857 -14.861 7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 23 96.979 -14.938 6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.613 -13.187 4.921 1.00 0.00 H new ATOM 0 HG3 GLU A 23 94.546 -13.084 6.307 1.00 0.00 H new ATOM 362 N GLY A 24 93.239 -16.686 7.032 1.00 0.00 N ATOM 363 CA GLY A 24 91.886 -16.696 7.668 1.00 0.00 C ATOM 364 C GLY A 24 90.848 -17.206 6.664 1.00 0.00 C ATOM 365 O GLY A 24 91.179 -17.812 5.664 1.00 0.00 O ATOM 0 H GLY A 24 93.810 -17.511 7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 24 91.894 -17.333 8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 24 91.622 -15.692 8.000 1.00 0.00 H new ATOM 369 N ASP A 25 89.588 -16.962 6.923 1.00 0.00 N ATOM 370 CA ASP A 25 88.528 -17.427 5.983 1.00 0.00 C ATOM 371 C ASP A 25 88.751 -16.797 4.616 1.00 0.00 C ATOM 372 O ASP A 25 89.111 -15.641 4.502 1.00 0.00 O ATOM 373 CB ASP A 25 87.153 -17.028 6.518 1.00 0.00 C ATOM 374 CG ASP A 25 86.827 -17.864 7.757 1.00 0.00 C ATOM 375 OD1 ASP A 25 87.436 -18.909 7.917 1.00 0.00 O ATOM 376 OD2 ASP A 25 85.973 -17.447 8.522 1.00 0.00 O ATOM 0 H ASP A 25 89.250 -16.461 7.745 1.00 0.00 H new ATOM 0 HA ASP A 25 88.574 -18.512 5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 25 87.142 -15.967 6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 25 86.394 -17.182 5.751 1.00 0.00 H new ATOM 381 N LYS A 26 88.550 -17.554 3.578 1.00 0.00 N ATOM 382 CA LYS A 26 88.760 -17.009 2.216 1.00 0.00 C ATOM 383 C LYS A 26 87.663 -15.995 1.918 1.00 0.00 C ATOM 384 O LYS A 26 87.761 -15.208 0.999 1.00 0.00 O ATOM 385 CB LYS A 26 88.710 -18.151 1.191 1.00 0.00 C ATOM 386 CG LYS A 26 90.037 -18.923 1.200 1.00 0.00 C ATOM 387 CD LYS A 26 90.187 -19.690 2.517 1.00 0.00 C ATOM 388 CE LYS A 26 91.310 -20.719 2.385 1.00 0.00 C ATOM 389 NZ LYS A 26 91.487 -21.428 3.684 1.00 0.00 N ATOM 0 H LYS A 26 88.249 -18.528 3.616 1.00 0.00 H new ATOM 0 HA LYS A 26 89.734 -16.523 2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 26 87.886 -18.825 1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 26 88.520 -17.749 0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 26 90.070 -19.617 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 26 90.870 -18.232 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 26 90.408 -18.998 3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 26 89.251 -20.188 2.768 1.00 0.00 H new ATOM 0 HE2 LYS A 26 91.072 -21.434 1.597 1.00 0.00 H new ATOM 0 HE3 LYS A 26 92.239 -20.225 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 92.251 -22.128 3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 91.732 -20.740 4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 90.602 -21.911 3.939 1.00 0.00 H new ATOM 403 N PHE A 27 86.618 -16.008 2.697 1.00 0.00 N ATOM 404 CA PHE A 27 85.502 -15.040 2.467 1.00 0.00 C ATOM 405 C PHE A 27 85.752 -13.770 3.282 1.00 0.00 C ATOM 406 O PHE A 27 84.981 -12.832 3.237 1.00 0.00 O ATOM 407 CB PHE A 27 84.185 -15.667 2.920 1.00 0.00 C ATOM 408 CG PHE A 27 83.903 -16.910 2.111 1.00 0.00 C ATOM 409 CD1 PHE A 27 84.372 -18.152 2.552 1.00 0.00 C ATOM 410 CD2 PHE A 27 83.168 -16.820 0.923 1.00 0.00 C ATOM 411 CE1 PHE A 27 84.104 -19.307 1.807 1.00 0.00 C ATOM 412 CE2 PHE A 27 82.901 -17.974 0.176 1.00 0.00 C ATOM 413 CZ PHE A 27 83.369 -19.217 0.618 1.00 0.00 C ATOM 0 H PHE A 27 86.485 -16.645 3.483 1.00 0.00 H new ATOM 0 HA PHE A 27 85.451 -14.794 1.406 1.00 0.00 H new ATOM 0 HB2 PHE A 27 84.236 -15.916 3.980 1.00 0.00 H new ATOM 0 HB3 PHE A 27 83.371 -14.952 2.800 1.00 0.00 H new ATOM 0 HD1 PHE A 27 84.941 -18.220 3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 27 82.807 -15.861 0.583 1.00 0.00 H new ATOM 0 HE1 PHE A 27 84.464 -20.266 2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 27 82.334 -17.905 -0.741 1.00 0.00 H new ATOM 0 HZ PHE A 27 83.163 -20.107 0.042 1.00 0.00 H new ATOM 423 N LYS A 28 86.815 -13.738 4.043 1.00 0.00 N ATOM 424 CA LYS A 28 87.113 -12.533 4.882 1.00 0.00 C ATOM 425 C LYS A 28 88.620 -12.266 4.880 1.00 0.00 C ATOM 426 O LYS A 28 89.401 -13.106 4.482 1.00 0.00 O ATOM 427 CB LYS A 28 86.644 -12.788 6.314 1.00 0.00 C ATOM 428 CG LYS A 28 85.137 -13.047 6.326 1.00 0.00 C ATOM 429 CD LYS A 28 84.676 -13.301 7.760 1.00 0.00 C ATOM 430 CE LYS A 28 83.170 -13.559 7.764 1.00 0.00 C ATOM 431 NZ LYS A 28 82.710 -13.824 9.156 1.00 0.00 N ATOM 0 H LYS A 28 87.493 -14.496 4.122 1.00 0.00 H new ATOM 0 HA LYS A 28 86.592 -11.667 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 28 87.173 -13.644 6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 28 86.880 -11.929 6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 28 84.607 -12.191 5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 28 84.900 -13.906 5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 28 85.205 -14.157 8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 28 84.912 -12.442 8.388 1.00 0.00 H new ATOM 0 HE2 LYS A 28 82.643 -12.698 7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 28 82.935 -14.410 7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 81.685 -13.999 9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 83.204 -14.659 9.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 82.920 -12.999 9.754 1.00 0.00 H new ATOM 445 N LEU A 29 89.035 -11.099 5.323 1.00 0.00 N ATOM 446 CA LEU A 29 90.499 -10.768 5.349 1.00 0.00 C ATOM 447 C LEU A 29 90.917 -10.493 6.789 1.00 0.00 C ATOM 448 O LEU A 29 90.092 -10.261 7.652 1.00 0.00 O ATOM 449 CB LEU A 29 90.789 -9.494 4.527 1.00 0.00 C ATOM 450 CG LEU A 29 89.967 -9.460 3.238 1.00 0.00 C ATOM 451 CD1 LEU A 29 90.107 -8.075 2.597 1.00 0.00 C ATOM 452 CD2 LEU A 29 90.496 -10.521 2.269 1.00 0.00 C ATOM 0 H LEU A 29 88.421 -10.361 5.668 1.00 0.00 H new ATOM 0 HA LEU A 29 91.049 -11.609 4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 29 90.563 -8.613 5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 29 91.851 -9.450 4.284 1.00 0.00 H new ATOM 0 HG LEU A 29 88.920 -9.663 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 29 89.524 -8.040 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 29 89.741 -7.316 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 29 91.156 -7.883 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 29 89.911 -10.498 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 29 91.541 -10.315 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 29 90.413 -11.506 2.728 1.00 0.00 H new ATOM 464 N ASN A 30 92.195 -10.471 7.042 1.00 0.00 N ATOM 465 CA ASN A 30 92.682 -10.148 8.408 1.00 0.00 C ATOM 466 C ASN A 30 93.037 -8.664 8.411 1.00 0.00 C ATOM 467 O ASN A 30 93.621 -8.163 7.474 1.00 0.00 O ATOM 468 CB ASN A 30 93.925 -10.984 8.743 1.00 0.00 C ATOM 469 CG ASN A 30 93.498 -12.392 9.169 1.00 0.00 C ATOM 470 OD1 ASN A 30 93.855 -13.367 8.538 1.00 0.00 O ATOM 471 ND2 ASN A 30 92.745 -12.540 10.226 1.00 0.00 N ATOM 0 H ASN A 30 92.926 -10.664 6.357 1.00 0.00 H new ATOM 0 HA ASN A 30 91.920 -10.373 9.154 1.00 0.00 H new ATOM 0 HB2 ASN A 30 94.583 -11.039 7.876 1.00 0.00 H new ATOM 0 HB3 ASN A 30 94.492 -10.507 9.543 1.00 0.00 H new ATOM 0 HD21 ASN A 30 92.457 -13.473 10.521 1.00 0.00 H new ATOM 0 HD22 ASN A 30 92.445 -11.722 10.757 1.00 0.00 H new ATOM 478 N LYS A 31 92.671 -7.953 9.440 1.00 0.00 N ATOM 479 CA LYS A 31 92.969 -6.492 9.502 1.00 0.00 C ATOM 480 C LYS A 31 94.385 -6.225 9.004 1.00 0.00 C ATOM 481 O LYS A 31 94.685 -5.175 8.500 1.00 0.00 O ATOM 482 CB LYS A 31 92.851 -6.014 10.944 1.00 0.00 C ATOM 483 CG LYS A 31 93.706 -6.902 11.848 1.00 0.00 C ATOM 484 CD LYS A 31 93.537 -6.453 13.299 1.00 0.00 C ATOM 485 CE LYS A 31 94.460 -7.275 14.200 1.00 0.00 C ATOM 486 NZ LYS A 31 94.083 -7.056 15.626 1.00 0.00 N ATOM 0 H LYS A 31 92.173 -8.324 10.249 1.00 0.00 H new ATOM 0 HA LYS A 31 92.258 -5.958 8.872 1.00 0.00 H new ATOM 0 HB2 LYS A 31 93.177 -4.977 11.022 1.00 0.00 H new ATOM 0 HB3 LYS A 31 91.810 -6.046 11.265 1.00 0.00 H new ATOM 0 HG2 LYS A 31 93.408 -7.945 11.740 1.00 0.00 H new ATOM 0 HG3 LYS A 31 94.754 -6.838 11.555 1.00 0.00 H new ATOM 0 HD2 LYS A 31 93.771 -5.393 13.392 1.00 0.00 H new ATOM 0 HD3 LYS A 31 92.500 -6.579 13.611 1.00 0.00 H new ATOM 0 HE2 LYS A 31 94.382 -8.333 13.950 1.00 0.00 H new ATOM 0 HE3 LYS A 31 95.498 -6.984 14.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 94.941 -7.037 16.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 93.581 -6.150 15.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 93.463 -7.828 15.944 1.00 0.00 H new ATOM 500 N SER A 32 95.248 -7.175 9.110 1.00 0.00 N ATOM 501 CA SER A 32 96.624 -6.958 8.610 1.00 0.00 C ATOM 502 C SER A 32 96.518 -6.658 7.130 1.00 0.00 C ATOM 503 O SER A 32 97.211 -5.817 6.592 1.00 0.00 O ATOM 504 CB SER A 32 97.466 -8.208 8.807 1.00 0.00 C ATOM 505 OG SER A 32 97.567 -8.496 10.195 1.00 0.00 O ATOM 0 H SER A 32 95.067 -8.092 9.519 1.00 0.00 H new ATOM 0 HA SER A 32 97.097 -6.139 9.152 1.00 0.00 H new ATOM 0 HB2 SER A 32 97.015 -9.050 8.282 1.00 0.00 H new ATOM 0 HB3 SER A 32 98.459 -8.062 8.382 1.00 0.00 H new ATOM 0 HG SER A 32 98.108 -9.303 10.323 1.00 0.00 H new ATOM 511 N GLU A 33 95.623 -7.331 6.472 1.00 0.00 N ATOM 512 CA GLU A 33 95.430 -7.080 5.030 1.00 0.00 C ATOM 513 C GLU A 33 95.042 -5.629 4.882 1.00 0.00 C ATOM 514 O GLU A 33 95.285 -5.017 3.869 1.00 0.00 O ATOM 515 CB GLU A 33 94.329 -7.991 4.479 1.00 0.00 C ATOM 516 CG GLU A 33 94.824 -9.444 4.463 1.00 0.00 C ATOM 517 CD GLU A 33 95.972 -9.587 3.464 1.00 0.00 C ATOM 518 OE1 GLU A 33 95.783 -9.216 2.318 1.00 0.00 O ATOM 519 OE2 GLU A 33 97.020 -10.067 3.862 1.00 0.00 O ATOM 0 H GLU A 33 95.017 -8.045 6.875 1.00 0.00 H new ATOM 0 HA GLU A 33 96.341 -7.292 4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 33 93.433 -7.908 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 33 94.054 -7.678 3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 33 95.158 -9.736 5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 33 94.008 -10.113 4.192 1.00 0.00 H new ATOM 526 N LEU A 34 94.477 -5.043 5.899 1.00 0.00 N ATOM 527 CA LEU A 34 94.148 -3.602 5.767 1.00 0.00 C ATOM 528 C LEU A 34 95.463 -2.884 5.514 1.00 0.00 C ATOM 529 O LEU A 34 95.544 -1.979 4.713 1.00 0.00 O ATOM 530 CB LEU A 34 93.493 -3.050 7.054 1.00 0.00 C ATOM 531 CG LEU A 34 93.111 -1.549 6.890 1.00 0.00 C ATOM 532 CD1 LEU A 34 91.638 -1.424 6.472 1.00 0.00 C ATOM 533 CD2 LEU A 34 93.334 -0.785 8.220 1.00 0.00 C ATOM 0 H LEU A 34 94.236 -5.483 6.787 1.00 0.00 H new ATOM 0 HA LEU A 34 93.435 -3.450 4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 34 92.602 -3.631 7.290 1.00 0.00 H new ATOM 0 HB3 LEU A 34 94.180 -3.164 7.893 1.00 0.00 H new ATOM 0 HG LEU A 34 93.747 -1.114 6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 34 91.380 -0.371 6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.484 -1.939 5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 34 91.004 -1.874 7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.062 0.262 8.088 1.00 0.00 H new ATOM 0 HD22 LEU A 34 92.714 -1.225 9.001 1.00 0.00 H new ATOM 0 HD23 LEU A 34 94.383 -0.854 8.508 1.00 0.00 H new ATOM 545 N LYS A 35 96.505 -3.288 6.186 1.00 0.00 N ATOM 546 CA LYS A 35 97.805 -2.617 5.957 1.00 0.00 C ATOM 547 C LYS A 35 98.365 -3.045 4.610 1.00 0.00 C ATOM 548 O LYS A 35 98.722 -2.235 3.783 1.00 0.00 O ATOM 549 CB LYS A 35 98.807 -3.013 7.041 1.00 0.00 C ATOM 550 CG LYS A 35 100.040 -2.114 6.932 1.00 0.00 C ATOM 551 CD LYS A 35 101.054 -2.496 8.010 1.00 0.00 C ATOM 552 CE LYS A 35 102.231 -1.520 7.964 1.00 0.00 C ATOM 553 NZ LYS A 35 103.133 -1.769 9.124 1.00 0.00 N ATOM 0 H LYS A 35 96.510 -4.042 6.873 1.00 0.00 H new ATOM 0 HA LYS A 35 97.647 -1.539 5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 35 98.354 -2.913 8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 35 99.092 -4.059 6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 35 100.490 -2.215 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 35 99.751 -1.069 7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 35 100.584 -2.471 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 35 101.405 -3.515 7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 35 102.781 -1.641 7.031 1.00 0.00 H new ATOM 0 HE3 LYS A 35 101.866 -0.493 7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 103.932 -1.105 9.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 102.605 -1.632 10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 103.492 -2.744 9.082 1.00 0.00 H new ATOM 567 N GLU A 36 98.468 -4.322 4.395 1.00 0.00 N ATOM 568 CA GLU A 36 99.038 -4.805 3.115 1.00 0.00 C ATOM 569 C GLU A 36 98.118 -4.470 1.948 1.00 0.00 C ATOM 570 O GLU A 36 98.576 -4.116 0.880 1.00 0.00 O ATOM 571 CB GLU A 36 99.254 -6.321 3.191 1.00 0.00 C ATOM 572 CG GLU A 36 99.842 -6.832 1.875 1.00 0.00 C ATOM 573 CD GLU A 36 101.220 -6.206 1.646 1.00 0.00 C ATOM 574 OE1 GLU A 36 101.808 -5.745 2.610 1.00 0.00 O ATOM 575 OE2 GLU A 36 101.664 -6.197 0.509 1.00 0.00 O ATOM 0 H GLU A 36 98.183 -5.051 5.049 1.00 0.00 H new ATOM 0 HA GLU A 36 99.993 -4.306 2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 36 99.925 -6.560 4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.308 -6.822 3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 36 99.926 -7.918 1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 36 99.177 -6.583 1.048 1.00 0.00 H new ATOM 582 N LEU A 37 96.837 -4.593 2.111 1.00 0.00 N ATOM 583 CA LEU A 37 95.944 -4.295 0.970 1.00 0.00 C ATOM 584 C LEU A 37 95.987 -2.806 0.689 1.00 0.00 C ATOM 585 O LEU A 37 95.939 -2.378 -0.446 1.00 0.00 O ATOM 586 CB LEU A 37 94.510 -4.730 1.316 1.00 0.00 C ATOM 587 CG LEU A 37 93.591 -4.670 0.066 1.00 0.00 C ATOM 588 CD1 LEU A 37 92.429 -5.662 0.233 1.00 0.00 C ATOM 589 CD2 LEU A 37 93.014 -3.247 -0.135 1.00 0.00 C ATOM 0 H LEU A 37 96.375 -4.883 2.973 1.00 0.00 H new ATOM 0 HA LEU A 37 96.272 -4.839 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 37 94.521 -5.744 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 37 94.109 -4.084 2.097 1.00 0.00 H new ATOM 0 HG LEU A 37 94.189 -4.932 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 37 91.785 -5.619 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 37 92.825 -6.671 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 37 91.852 -5.400 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 37 92.374 -3.235 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 37 92.430 -2.964 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 37 93.831 -2.539 -0.270 1.00 0.00 H new ATOM 601 N LEU A 38 96.071 -2.003 1.708 1.00 0.00 N ATOM 602 CA LEU A 38 96.087 -0.526 1.452 1.00 0.00 C ATOM 603 C LEU A 38 97.425 -0.056 0.899 1.00 0.00 C ATOM 604 O LEU A 38 97.470 0.780 0.020 1.00 0.00 O ATOM 605 CB LEU A 38 95.739 0.251 2.721 1.00 0.00 C ATOM 606 CG LEU A 38 94.249 0.074 3.068 1.00 0.00 C ATOM 607 CD1 LEU A 38 93.940 0.876 4.332 1.00 0.00 C ATOM 608 CD2 LEU A 38 93.361 0.584 1.910 1.00 0.00 C ATOM 0 H LEU A 38 96.128 -2.288 2.686 1.00 0.00 H new ATOM 0 HA LEU A 38 95.328 -0.327 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 38 96.356 -0.098 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 38 95.963 1.308 2.580 1.00 0.00 H new ATOM 0 HG LEU A 38 94.041 -0.984 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 38 92.887 0.759 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 38 94.557 0.512 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 38 94.156 1.930 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 38 92.311 0.452 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 38 93.561 1.641 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 38 93.584 0.019 1.005 1.00 0.00 H new ATOM 620 N THR A 39 98.509 -0.560 1.383 1.00 0.00 N ATOM 621 CA THR A 39 99.807 -0.097 0.840 1.00 0.00 C ATOM 622 C THR A 39 99.976 -0.663 -0.548 1.00 0.00 C ATOM 623 O THR A 39 100.687 -0.125 -1.374 1.00 0.00 O ATOM 624 CB THR A 39 100.944 -0.606 1.712 1.00 0.00 C ATOM 625 OG1 THR A 39 100.941 -2.026 1.708 1.00 0.00 O ATOM 626 CG2 THR A 39 100.748 -0.096 3.125 1.00 0.00 C ATOM 0 H THR A 39 98.559 -1.263 2.121 1.00 0.00 H new ATOM 0 HA THR A 39 99.825 0.993 0.819 1.00 0.00 H new ATOM 0 HB THR A 39 101.899 -0.249 1.325 1.00 0.00 H new ATOM 0 HG1 THR A 39 100.224 -2.353 2.291 1.00 0.00 H new ATOM 0 HG21 THR A 39 101.559 -0.456 3.758 1.00 0.00 H new ATOM 0 HG22 THR A 39 100.747 0.994 3.122 1.00 0.00 H new ATOM 0 HG23 THR A 39 99.796 -0.458 3.514 1.00 0.00 H new ATOM 634 N ARG A 40 99.338 -1.766 -0.813 1.00 0.00 N ATOM 635 CA ARG A 40 99.481 -2.383 -2.147 1.00 0.00 C ATOM 636 C ARG A 40 98.521 -1.722 -3.128 1.00 0.00 C ATOM 637 O ARG A 40 98.778 -1.682 -4.316 1.00 0.00 O ATOM 638 CB ARG A 40 99.155 -3.881 -2.073 1.00 0.00 C ATOM 639 CG ARG A 40 100.244 -4.645 -1.302 1.00 0.00 C ATOM 640 CD ARG A 40 101.430 -4.979 -2.220 1.00 0.00 C ATOM 641 NE ARG A 40 101.012 -6.017 -3.207 1.00 0.00 N ATOM 642 CZ ARG A 40 101.768 -6.280 -4.239 1.00 0.00 C ATOM 643 NH1 ARG A 40 102.891 -5.636 -4.407 1.00 0.00 N ATOM 644 NH2 ARG A 40 101.401 -7.187 -5.103 1.00 0.00 N ATOM 0 H ARG A 40 98.727 -2.261 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 40 100.509 -2.247 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 40 98.191 -4.023 -1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 40 99.065 -4.287 -3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 40 100.588 -4.045 -0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 40 99.827 -5.564 -0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 40 101.767 -4.082 -2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 40 102.272 -5.340 -1.629 1.00 0.00 H new ATOM 0 HE ARG A 40 100.135 -6.521 -3.076 1.00 0.00 H new ATOM 0 HH11 ARG A 40 103.178 -4.927 -3.732 1.00 0.00 H new ATOM 0 HH12 ARG A 40 103.481 -5.842 -5.213 1.00 0.00 H new ATOM 0 HH21 ARG A 40 100.524 -7.690 -4.972 1.00 0.00 H new ATOM 0 HH22 ARG A 40 101.992 -7.392 -5.909 1.00 0.00 H new ATOM 658 N GLU A 41 97.401 -1.225 -2.650 1.00 0.00 N ATOM 659 CA GLU A 41 96.403 -0.593 -3.577 1.00 0.00 C ATOM 660 C GLU A 41 96.299 0.897 -3.323 1.00 0.00 C ATOM 661 O GLU A 41 95.790 1.631 -4.147 1.00 0.00 O ATOM 662 CB GLU A 41 95.045 -1.261 -3.368 1.00 0.00 C ATOM 663 CG GLU A 41 95.103 -2.691 -3.908 1.00 0.00 C ATOM 664 CD GLU A 41 93.749 -3.370 -3.704 1.00 0.00 C ATOM 665 OE1 GLU A 41 92.905 -2.779 -3.053 1.00 0.00 O ATOM 666 OE2 GLU A 41 93.582 -4.473 -4.199 1.00 0.00 O ATOM 0 H GLU A 41 97.136 -1.229 -1.665 1.00 0.00 H new ATOM 0 HA GLU A 41 96.730 -0.733 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 41 94.789 -1.269 -2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 41 94.265 -0.697 -3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 41 95.360 -2.681 -4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 41 95.884 -3.253 -3.396 1.00 0.00 H new ATOM 673 N LEU A 42 96.787 1.365 -2.210 1.00 0.00 N ATOM 674 CA LEU A 42 96.721 2.830 -1.938 1.00 0.00 C ATOM 675 C LEU A 42 98.014 3.282 -1.242 1.00 0.00 C ATOM 676 O LEU A 42 98.041 3.443 -0.037 1.00 0.00 O ATOM 677 CB LEU A 42 95.518 3.144 -1.039 1.00 0.00 C ATOM 678 CG LEU A 42 94.190 2.847 -1.782 1.00 0.00 C ATOM 679 CD1 LEU A 42 93.760 1.378 -1.567 1.00 0.00 C ATOM 680 CD2 LEU A 42 93.088 3.789 -1.262 1.00 0.00 C ATOM 0 H LEU A 42 97.226 0.803 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 42 96.609 3.363 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 42 95.573 2.548 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 42 95.546 4.191 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 42 94.343 3.011 -2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 42 92.826 1.191 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 42 94.534 0.713 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 42 93.617 1.193 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 42 92.154 3.580 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 42 92.949 3.631 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 42 93.380 4.824 -1.440 1.00 0.00 H new ATOM 692 N PRO A 43 99.086 3.480 -1.979 1.00 0.00 N ATOM 693 CA PRO A 43 100.372 3.911 -1.362 1.00 0.00 C ATOM 694 C PRO A 43 100.381 5.408 -0.985 1.00 0.00 C ATOM 695 O PRO A 43 99.935 5.784 0.079 1.00 0.00 O ATOM 696 CB PRO A 43 101.383 3.581 -2.479 1.00 0.00 C ATOM 697 CG PRO A 43 100.600 3.432 -3.799 1.00 0.00 C ATOM 698 CD PRO A 43 99.104 3.288 -3.459 1.00 0.00 C ATOM 0 HA PRO A 43 100.586 3.417 -0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 43 102.128 4.372 -2.565 1.00 0.00 H new ATOM 0 HB3 PRO A 43 101.920 2.661 -2.248 1.00 0.00 H new ATOM 0 HG2 PRO A 43 100.763 4.300 -4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 43 100.950 2.560 -4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 43 98.498 4.035 -3.972 1.00 0.00 H new ATOM 0 HD3 PRO A 43 98.715 2.311 -3.746 1.00 0.00 H new ATOM 706 N SER A 44 100.898 6.258 -1.836 1.00 0.00 N ATOM 707 CA SER A 44 100.951 7.717 -1.506 1.00 0.00 C ATOM 708 C SER A 44 99.537 8.309 -1.401 1.00 0.00 C ATOM 709 O SER A 44 99.221 9.012 -0.466 1.00 0.00 O ATOM 710 CB SER A 44 101.719 8.453 -2.603 1.00 0.00 C ATOM 711 OG SER A 44 101.937 9.799 -2.201 1.00 0.00 O ATOM 0 H SER A 44 101.286 6.006 -2.745 1.00 0.00 H new ATOM 0 HA SER A 44 101.451 7.836 -0.545 1.00 0.00 H new ATOM 0 HB2 SER A 44 102.672 7.958 -2.790 1.00 0.00 H new ATOM 0 HB3 SER A 44 101.157 8.427 -3.537 1.00 0.00 H new ATOM 0 HG SER A 44 102.431 10.274 -2.902 1.00 0.00 H new ATOM 717 N PHE A 45 98.694 8.031 -2.357 1.00 0.00 N ATOM 718 CA PHE A 45 97.296 8.577 -2.338 1.00 0.00 C ATOM 719 C PHE A 45 96.658 8.407 -0.958 1.00 0.00 C ATOM 720 O PHE A 45 95.598 8.931 -0.682 1.00 0.00 O ATOM 721 CB PHE A 45 96.457 7.796 -3.337 1.00 0.00 C ATOM 722 CG PHE A 45 95.078 8.407 -3.425 1.00 0.00 C ATOM 723 CD1 PHE A 45 94.820 9.421 -4.356 1.00 0.00 C ATOM 724 CD2 PHE A 45 94.060 7.965 -2.572 1.00 0.00 C ATOM 725 CE1 PHE A 45 93.543 9.991 -4.435 1.00 0.00 C ATOM 726 CE2 PHE A 45 92.783 8.535 -2.651 1.00 0.00 C ATOM 727 CZ PHE A 45 92.525 9.547 -3.582 1.00 0.00 C ATOM 0 H PHE A 45 98.911 7.443 -3.162 1.00 0.00 H new ATOM 0 HA PHE A 45 97.336 9.637 -2.587 1.00 0.00 H new ATOM 0 HB2 PHE A 45 96.935 7.808 -4.317 1.00 0.00 H new ATOM 0 HB3 PHE A 45 96.385 6.753 -3.030 1.00 0.00 H new ATOM 0 HD1 PHE A 45 95.606 9.763 -5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 45 94.259 7.184 -1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 45 93.344 10.772 -5.153 1.00 0.00 H new ATOM 0 HE2 PHE A 45 91.998 8.193 -1.993 1.00 0.00 H new ATOM 0 HZ PHE A 45 91.540 9.986 -3.643 1.00 0.00 H new ATOM 737 N LEU A 46 97.290 7.664 -0.103 1.00 0.00 N ATOM 738 CA LEU A 46 96.740 7.417 1.266 1.00 0.00 C ATOM 739 C LEU A 46 97.881 7.598 2.248 1.00 0.00 C ATOM 740 O LEU A 46 97.750 8.239 3.272 1.00 0.00 O ATOM 741 CB LEU A 46 96.200 5.983 1.312 1.00 0.00 C ATOM 742 CG LEU A 46 95.781 5.574 2.732 1.00 0.00 C ATOM 743 CD1 LEU A 46 94.507 6.315 3.143 1.00 0.00 C ATOM 744 CD2 LEU A 46 95.521 4.069 2.747 1.00 0.00 C ATOM 0 H LEU A 46 98.182 7.206 -0.292 1.00 0.00 H new ATOM 0 HA LEU A 46 95.931 8.103 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 46 95.345 5.895 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 46 96.963 5.296 0.947 1.00 0.00 H new ATOM 0 HG LEU A 46 96.575 5.829 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 46 94.221 6.016 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 46 94.688 7.390 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 46 93.703 6.068 2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 46 95.222 3.761 3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 46 94.725 3.830 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 46 96.430 3.540 2.461 1.00 0.00 H new ATOM 756 N GLY A 47 99.020 7.081 1.903 1.00 0.00 N ATOM 757 CA GLY A 47 100.213 7.257 2.760 1.00 0.00 C ATOM 758 C GLY A 47 100.811 8.581 2.337 1.00 0.00 C ATOM 759 O GLY A 47 101.992 8.831 2.467 1.00 0.00 O ATOM 0 H GLY A 47 99.176 6.538 1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 47 99.942 7.266 3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 47 100.923 6.441 2.620 1.00 0.00 H new ATOM 763 N LYS A 48 99.974 9.424 1.790 1.00 0.00 N ATOM 764 CA LYS A 48 100.437 10.738 1.298 1.00 0.00 C ATOM 765 C LYS A 48 101.051 11.549 2.459 1.00 0.00 C ATOM 766 O LYS A 48 101.305 12.729 2.325 1.00 0.00 O ATOM 767 CB LYS A 48 99.234 11.507 0.681 1.00 0.00 C ATOM 768 CG LYS A 48 99.536 11.922 -0.773 1.00 0.00 C ATOM 769 CD LYS A 48 100.652 12.983 -0.807 1.00 0.00 C ATOM 770 CE LYS A 48 100.053 14.388 -0.668 1.00 0.00 C ATOM 771 NZ LYS A 48 101.151 15.393 -0.584 1.00 0.00 N ATOM 0 H LYS A 48 98.977 9.247 1.666 1.00 0.00 H new ATOM 0 HA LYS A 48 101.201 10.593 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 48 98.343 10.879 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 48 99.017 12.392 1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 48 99.837 11.049 -1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 48 98.634 12.318 -1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 48 101.361 12.801 0.000 1.00 0.00 H new ATOM 0 HD3 LYS A 48 101.207 12.907 -1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 48 99.411 14.607 -1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 48 99.428 14.442 0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 100.744 16.345 -0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 101.747 15.188 0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 101.730 15.348 -1.447 1.00 0.00 H new ATOM 785 N ARG A 49 101.263 10.934 3.598 1.00 0.00 N ATOM 786 CA ARG A 49 101.838 11.667 4.766 1.00 0.00 C ATOM 787 C ARG A 49 100.906 12.820 5.141 1.00 0.00 C ATOM 788 O ARG A 49 101.296 13.763 5.800 1.00 0.00 O ATOM 789 CB ARG A 49 103.237 12.206 4.422 1.00 0.00 C ATOM 790 CG ARG A 49 104.160 11.039 4.061 1.00 0.00 C ATOM 791 CD ARG A 49 105.554 11.571 3.717 1.00 0.00 C ATOM 792 NE ARG A 49 105.463 12.477 2.536 1.00 0.00 N ATOM 793 CZ ARG A 49 106.458 13.268 2.241 1.00 0.00 C ATOM 794 NH1 ARG A 49 107.540 13.256 2.969 1.00 0.00 N ATOM 795 NH2 ARG A 49 106.373 14.069 1.213 1.00 0.00 N ATOM 0 H ARG A 49 101.060 9.949 3.768 1.00 0.00 H new ATOM 0 HA ARG A 49 101.932 10.985 5.611 1.00 0.00 H new ATOM 0 HB2 ARG A 49 103.174 12.905 3.588 1.00 0.00 H new ATOM 0 HB3 ARG A 49 103.645 12.757 5.270 1.00 0.00 H new ATOM 0 HG2 ARG A 49 104.222 10.341 4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 49 103.751 10.488 3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 49 105.971 12.108 4.569 1.00 0.00 H new ATOM 0 HD3 ARG A 49 106.228 10.742 3.502 1.00 0.00 H new ATOM 0 HE ARG A 49 104.622 12.478 1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 49 107.609 12.628 3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 49 108.317 13.875 2.738 1.00 0.00 H new ATOM 0 HH21 ARG A 49 105.529 14.076 0.641 1.00 0.00 H new ATOM 0 HH22 ARG A 49 107.151 14.687 0.983 1.00 0.00 H new ATOM 809 N THR A 50 99.667 12.743 4.721 1.00 0.00 N ATOM 810 CA THR A 50 98.676 13.820 5.036 1.00 0.00 C ATOM 811 C THR A 50 97.721 13.334 6.128 1.00 0.00 C ATOM 812 O THR A 50 97.326 12.185 6.152 1.00 0.00 O ATOM 813 CB THR A 50 97.868 14.148 3.777 1.00 0.00 C ATOM 814 OG1 THR A 50 97.022 15.258 4.040 1.00 0.00 O ATOM 815 CG2 THR A 50 97.012 12.939 3.373 1.00 0.00 C ATOM 0 H THR A 50 99.296 11.971 4.167 1.00 0.00 H new ATOM 0 HA THR A 50 99.205 14.709 5.380 1.00 0.00 H new ATOM 0 HB THR A 50 98.552 14.389 2.963 1.00 0.00 H new ATOM 0 HG1 THR A 50 96.504 15.472 3.236 1.00 0.00 H new ATOM 0 HG21 THR A 50 96.441 13.181 2.477 1.00 0.00 H new ATOM 0 HG22 THR A 50 97.660 12.086 3.171 1.00 0.00 H new ATOM 0 HG23 THR A 50 96.327 12.691 4.184 1.00 0.00 H new ATOM 823 N ASP A 51 97.336 14.199 7.025 1.00 0.00 N ATOM 824 CA ASP A 51 96.397 13.778 8.100 1.00 0.00 C ATOM 825 C ASP A 51 96.925 12.507 8.770 1.00 0.00 C ATOM 826 O ASP A 51 96.285 11.473 8.753 1.00 0.00 O ATOM 827 CB ASP A 51 95.017 13.503 7.499 1.00 0.00 C ATOM 828 CG ASP A 51 94.387 14.819 7.040 1.00 0.00 C ATOM 829 OD1 ASP A 51 94.820 15.857 7.511 1.00 0.00 O ATOM 830 OD2 ASP A 51 93.478 14.766 6.226 1.00 0.00 O ATOM 0 H ASP A 51 97.630 15.175 7.060 1.00 0.00 H new ATOM 0 HA ASP A 51 96.316 14.573 8.841 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.106 12.817 6.656 1.00 0.00 H new ATOM 0 HB3 ASP A 51 94.377 13.020 8.237 1.00 0.00 H new ATOM 835 N GLU A 52 98.087 12.575 9.356 1.00 0.00 N ATOM 836 CA GLU A 52 98.659 11.371 10.022 1.00 0.00 C ATOM 837 C GLU A 52 97.716 10.907 11.128 1.00 0.00 C ATOM 838 O GLU A 52 97.517 9.725 11.329 1.00 0.00 O ATOM 839 CB GLU A 52 100.017 11.718 10.638 1.00 0.00 C ATOM 840 CG GLU A 52 101.052 11.933 9.533 1.00 0.00 C ATOM 841 CD GLU A 52 101.392 10.590 8.885 1.00 0.00 C ATOM 842 OE1 GLU A 52 100.929 9.578 9.386 1.00 0.00 O ATOM 843 OE2 GLU A 52 102.116 10.593 7.905 1.00 0.00 O ATOM 0 H GLU A 52 98.667 13.413 9.403 1.00 0.00 H new ATOM 0 HA GLU A 52 98.784 10.579 9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 52 99.930 12.618 11.247 1.00 0.00 H new ATOM 0 HB3 GLU A 52 100.341 10.915 11.300 1.00 0.00 H new ATOM 0 HG2 GLU A 52 100.662 12.622 8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 52 101.952 12.388 9.947 1.00 0.00 H new ATOM 850 N ALA A 53 97.136 11.819 11.856 1.00 0.00 N ATOM 851 CA ALA A 53 96.218 11.406 12.949 1.00 0.00 C ATOM 852 C ALA A 53 95.079 10.563 12.365 1.00 0.00 C ATOM 853 O ALA A 53 94.815 9.472 12.821 1.00 0.00 O ATOM 854 CB ALA A 53 95.637 12.653 13.622 1.00 0.00 C ATOM 0 H ALA A 53 97.257 12.825 11.742 1.00 0.00 H new ATOM 0 HA ALA A 53 96.766 10.817 13.684 1.00 0.00 H new ATOM 0 HB1 ALA A 53 94.963 12.353 14.424 1.00 0.00 H new ATOM 0 HB2 ALA A 53 96.447 13.255 14.034 1.00 0.00 H new ATOM 0 HB3 ALA A 53 95.087 13.240 12.887 1.00 0.00 H new ATOM 860 N ALA A 54 94.417 11.046 11.349 1.00 0.00 N ATOM 861 CA ALA A 54 93.308 10.252 10.739 1.00 0.00 C ATOM 862 C ALA A 54 93.856 8.926 10.224 1.00 0.00 C ATOM 863 O ALA A 54 93.297 7.874 10.463 1.00 0.00 O ATOM 864 CB ALA A 54 92.699 11.039 9.581 1.00 0.00 C ATOM 0 H ALA A 54 94.594 11.952 10.915 1.00 0.00 H new ATOM 0 HA ALA A 54 92.541 10.059 11.489 1.00 0.00 H new ATOM 0 HB1 ALA A 54 91.890 10.461 9.134 1.00 0.00 H new ATOM 0 HB2 ALA A 54 92.307 11.986 9.951 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.465 11.232 8.830 1.00 0.00 H new ATOM 870 N PHE A 55 94.956 8.967 9.537 1.00 0.00 N ATOM 871 CA PHE A 55 95.558 7.712 9.023 1.00 0.00 C ATOM 872 C PHE A 55 95.872 6.829 10.216 1.00 0.00 C ATOM 873 O PHE A 55 95.676 5.630 10.200 1.00 0.00 O ATOM 874 CB PHE A 55 96.855 8.056 8.309 1.00 0.00 C ATOM 875 CG PHE A 55 97.502 6.798 7.770 1.00 0.00 C ATOM 876 CD1 PHE A 55 96.935 6.133 6.676 1.00 0.00 C ATOM 877 CD2 PHE A 55 98.675 6.306 8.357 1.00 0.00 C ATOM 878 CE1 PHE A 55 97.539 4.975 6.171 1.00 0.00 C ATOM 879 CE2 PHE A 55 99.278 5.147 7.852 1.00 0.00 C ATOM 880 CZ PHE A 55 98.709 4.483 6.760 1.00 0.00 C ATOM 0 H PHE A 55 95.467 9.819 9.308 1.00 0.00 H new ATOM 0 HA PHE A 55 94.880 7.205 8.336 1.00 0.00 H new ATOM 0 HB2 PHE A 55 96.657 8.751 7.493 1.00 0.00 H new ATOM 0 HB3 PHE A 55 97.535 8.558 8.997 1.00 0.00 H new ATOM 0 HD1 PHE A 55 96.032 6.513 6.222 1.00 0.00 H new ATOM 0 HD2 PHE A 55 99.114 6.820 9.199 1.00 0.00 H new ATOM 0 HE1 PHE A 55 97.102 4.462 5.327 1.00 0.00 H new ATOM 0 HE2 PHE A 55 100.181 4.766 8.305 1.00 0.00 H new ATOM 0 HZ PHE A 55 99.174 3.589 6.371 1.00 0.00 H new ATOM 890 N GLN A 56 96.350 7.435 11.260 1.00 0.00 N ATOM 891 CA GLN A 56 96.678 6.670 12.484 1.00 0.00 C ATOM 892 C GLN A 56 95.397 6.088 13.058 1.00 0.00 C ATOM 893 O GLN A 56 95.400 5.034 13.648 1.00 0.00 O ATOM 894 CB GLN A 56 97.352 7.594 13.505 1.00 0.00 C ATOM 895 CG GLN A 56 97.692 6.806 14.772 1.00 0.00 C ATOM 896 CD GLN A 56 98.509 7.691 15.714 1.00 0.00 C ATOM 897 OE1 GLN A 56 98.942 8.763 15.336 1.00 0.00 O ATOM 898 NE2 GLN A 56 98.742 7.289 16.932 1.00 0.00 N ATOM 0 H GLN A 56 96.529 8.438 11.317 1.00 0.00 H new ATOM 0 HA GLN A 56 97.366 5.859 12.245 1.00 0.00 H new ATOM 0 HB2 GLN A 56 98.259 8.023 13.078 1.00 0.00 H new ATOM 0 HB3 GLN A 56 96.691 8.425 13.749 1.00 0.00 H new ATOM 0 HG2 GLN A 56 96.778 6.477 15.266 1.00 0.00 H new ATOM 0 HG3 GLN A 56 98.257 5.909 14.516 1.00 0.00 H new ATOM 0 HE21 GLN A 56 98.380 6.390 17.251 1.00 0.00 H new ATOM 0 HE22 GLN A 56 99.287 7.873 17.566 1.00 0.00 H new ATOM 907 N LYS A 57 94.293 6.753 12.867 1.00 0.00 N ATOM 908 CA LYS A 57 93.007 6.198 13.387 1.00 0.00 C ATOM 909 C LYS A 57 92.653 4.979 12.554 1.00 0.00 C ATOM 910 O LYS A 57 92.221 3.963 13.058 1.00 0.00 O ATOM 911 CB LYS A 57 91.868 7.228 13.311 1.00 0.00 C ATOM 912 CG LYS A 57 92.101 8.348 14.337 1.00 0.00 C ATOM 913 CD LYS A 57 90.808 9.153 14.564 1.00 0.00 C ATOM 914 CE LYS A 57 90.555 10.098 13.387 1.00 0.00 C ATOM 915 NZ LYS A 57 89.283 10.840 13.612 1.00 0.00 N ATOM 0 H LYS A 57 94.222 7.646 12.380 1.00 0.00 H new ATOM 0 HA LYS A 57 93.133 5.933 14.437 1.00 0.00 H new ATOM 0 HB2 LYS A 57 91.814 7.649 12.307 1.00 0.00 H new ATOM 0 HB3 LYS A 57 90.912 6.740 13.504 1.00 0.00 H new ATOM 0 HG2 LYS A 57 92.439 7.920 15.280 1.00 0.00 H new ATOM 0 HG3 LYS A 57 92.892 9.011 13.986 1.00 0.00 H new ATOM 0 HD2 LYS A 57 89.964 8.473 14.681 1.00 0.00 H new ATOM 0 HD3 LYS A 57 90.886 9.726 15.488 1.00 0.00 H new ATOM 0 HE2 LYS A 57 91.384 10.798 13.284 1.00 0.00 H new ATOM 0 HE3 LYS A 57 90.499 9.532 12.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 89.110 11.483 12.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 88.496 10.164 13.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 89.354 11.392 14.491 1.00 0.00 H new ATOM 929 N LEU A 58 92.878 5.066 11.277 1.00 0.00 N ATOM 930 CA LEU A 58 92.604 3.902 10.401 1.00 0.00 C ATOM 931 C LEU A 58 93.556 2.808 10.839 1.00 0.00 C ATOM 932 O LEU A 58 93.195 1.658 10.985 1.00 0.00 O ATOM 933 CB LEU A 58 92.857 4.297 8.942 1.00 0.00 C ATOM 934 CG LEU A 58 92.694 3.084 8.019 1.00 0.00 C ATOM 935 CD1 LEU A 58 91.274 2.507 8.141 1.00 0.00 C ATOM 936 CD2 LEU A 58 92.945 3.531 6.576 1.00 0.00 C ATOM 0 H LEU A 58 93.240 5.893 10.803 1.00 0.00 H new ATOM 0 HA LEU A 58 91.571 3.563 10.477 1.00 0.00 H new ATOM 0 HB2 LEU A 58 92.161 5.082 8.646 1.00 0.00 H new ATOM 0 HB3 LEU A 58 93.862 4.707 8.839 1.00 0.00 H new ATOM 0 HG LEU A 58 93.408 2.311 8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 58 91.173 1.646 7.480 1.00 0.00 H new ATOM 0 HD12 LEU A 58 91.094 2.197 9.170 1.00 0.00 H new ATOM 0 HD13 LEU A 58 90.547 3.268 7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 58 92.833 2.678 5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 58 92.226 4.303 6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 58 93.956 3.930 6.489 1.00 0.00 H new ATOM 948 N MET A 59 94.770 3.186 11.095 1.00 0.00 N ATOM 949 CA MET A 59 95.767 2.206 11.585 1.00 0.00 C ATOM 950 C MET A 59 95.385 1.816 13.008 1.00 0.00 C ATOM 951 O MET A 59 95.559 0.697 13.436 1.00 0.00 O ATOM 952 CB MET A 59 97.169 2.811 11.577 1.00 0.00 C ATOM 953 CG MET A 59 98.192 1.703 11.846 1.00 0.00 C ATOM 954 SD MET A 59 99.869 2.369 11.705 1.00 0.00 S ATOM 955 CE MET A 59 100.064 2.128 9.921 1.00 0.00 C ATOM 0 H MET A 59 95.117 4.139 10.985 1.00 0.00 H new ATOM 0 HA MET A 59 95.773 1.332 10.934 1.00 0.00 H new ATOM 0 HB2 MET A 59 97.370 3.283 10.615 1.00 0.00 H new ATOM 0 HB3 MET A 59 97.248 3.589 12.337 1.00 0.00 H new ATOM 0 HG2 MET A 59 98.038 1.288 12.842 1.00 0.00 H new ATOM 0 HG3 MET A 59 98.054 0.888 11.136 1.00 0.00 H new ATOM 0 HE1 MET A 59 101.042 2.495 9.609 1.00 0.00 H new ATOM 0 HE2 MET A 59 99.983 1.067 9.686 1.00 0.00 H new ATOM 0 HE3 MET A 59 99.285 2.677 9.392 1.00 0.00 H new ATOM 965 N SER A 60 94.860 2.738 13.754 1.00 0.00 N ATOM 966 CA SER A 60 94.467 2.397 15.146 1.00 0.00 C ATOM 967 C SER A 60 93.456 1.260 15.076 1.00 0.00 C ATOM 968 O SER A 60 93.313 0.479 15.994 1.00 0.00 O ATOM 969 CB SER A 60 93.838 3.605 15.837 1.00 0.00 C ATOM 970 OG SER A 60 93.698 3.330 17.225 1.00 0.00 O ATOM 0 H SER A 60 94.686 3.702 13.468 1.00 0.00 H new ATOM 0 HA SER A 60 95.345 2.101 15.720 1.00 0.00 H new ATOM 0 HB2 SER A 60 94.460 4.488 15.690 1.00 0.00 H new ATOM 0 HB3 SER A 60 92.865 3.824 15.398 1.00 0.00 H new ATOM 0 HG SER A 60 93.296 4.103 17.673 1.00 0.00 H new ATOM 976 N ASN A 61 92.770 1.148 13.970 1.00 0.00 N ATOM 977 CA ASN A 61 91.788 0.041 13.820 1.00 0.00 C ATOM 978 C ASN A 61 92.586 -1.213 13.515 1.00 0.00 C ATOM 979 O ASN A 61 92.314 -2.286 14.010 1.00 0.00 O ATOM 980 CB ASN A 61 90.808 0.336 12.681 1.00 0.00 C ATOM 981 CG ASN A 61 90.049 1.629 12.980 1.00 0.00 C ATOM 982 OD1 ASN A 61 89.953 2.545 12.053 1.00 0.00 O flip ATOM 983 ND2 ASN A 61 89.529 1.807 14.064 1.00 0.00 N flip ATOM 0 H ASN A 61 92.848 1.774 13.168 1.00 0.00 H new ATOM 0 HA ASN A 61 91.199 -0.078 14.730 1.00 0.00 H new ATOM 0 HB2 ASN A 61 91.347 0.429 11.738 1.00 0.00 H new ATOM 0 HB3 ASN A 61 90.107 -0.491 12.567 1.00 0.00 H new ATOM 0 HD21 ASN A 61 89.603 1.093 14.789 1.00 0.00 H new ATOM 0 HD22 ASN A 61 89.019 2.670 14.249 1.00 0.00 H new ATOM 990 N LEU A 62 93.618 -1.065 12.738 1.00 0.00 N ATOM 991 CA LEU A 62 94.490 -2.221 12.450 1.00 0.00 C ATOM 992 C LEU A 62 95.015 -2.681 13.809 1.00 0.00 C ATOM 993 O LEU A 62 95.371 -3.821 14.018 1.00 0.00 O ATOM 994 CB LEU A 62 95.615 -1.757 11.512 1.00 0.00 C ATOM 995 CG LEU A 62 96.806 -2.707 11.548 1.00 0.00 C ATOM 996 CD1 LEU A 62 96.375 -4.105 11.100 1.00 0.00 C ATOM 997 CD2 LEU A 62 97.895 -2.172 10.604 1.00 0.00 C ATOM 0 H LEU A 62 93.892 -0.190 12.291 1.00 0.00 H new ATOM 0 HA LEU A 62 93.980 -3.045 11.951 1.00 0.00 H new ATOM 0 HB2 LEU A 62 95.234 -1.689 10.493 1.00 0.00 H new ATOM 0 HB3 LEU A 62 95.939 -0.756 11.799 1.00 0.00 H new ATOM 0 HG LEU A 62 97.194 -2.770 12.565 1.00 0.00 H new ATOM 0 HD11 LEU A 62 97.233 -4.777 11.129 1.00 0.00 H new ATOM 0 HD12 LEU A 62 95.599 -4.478 11.768 1.00 0.00 H new ATOM 0 HD13 LEU A 62 95.986 -4.057 10.083 1.00 0.00 H new ATOM 0 HD21 LEU A 62 98.753 -2.844 10.621 1.00 0.00 H new ATOM 0 HD22 LEU A 62 97.500 -2.113 9.590 1.00 0.00 H new ATOM 0 HD23 LEU A 62 98.205 -1.179 10.931 1.00 0.00 H new ATOM 1009 N ASP A 63 95.013 -1.776 14.752 1.00 0.00 N ATOM 1010 CA ASP A 63 95.449 -2.107 16.133 1.00 0.00 C ATOM 1011 C ASP A 63 94.192 -2.439 16.944 1.00 0.00 C ATOM 1012 O ASP A 63 94.228 -2.550 18.153 1.00 0.00 O ATOM 1013 CB ASP A 63 96.150 -0.900 16.758 1.00 0.00 C ATOM 1014 CG ASP A 63 97.482 -0.653 16.048 1.00 0.00 C ATOM 1015 OD1 ASP A 63 97.971 -1.572 15.413 1.00 0.00 O ATOM 1016 OD2 ASP A 63 97.990 0.452 16.149 1.00 0.00 O ATOM 0 H ASP A 63 94.722 -0.808 14.618 1.00 0.00 H new ATOM 0 HA ASP A 63 96.142 -2.948 16.124 1.00 0.00 H new ATOM 0 HB2 ASP A 63 95.515 -0.017 16.679 1.00 0.00 H new ATOM 0 HB3 ASP A 63 96.320 -1.076 17.820 1.00 0.00 H new ATOM 1021 N SER A 64 93.070 -2.573 16.276 1.00 0.00 N ATOM 1022 CA SER A 64 91.797 -2.872 16.995 1.00 0.00 C ATOM 1023 C SER A 64 91.940 -4.177 17.780 1.00 0.00 C ATOM 1024 O SER A 64 92.340 -5.191 17.245 1.00 0.00 O ATOM 1025 CB SER A 64 90.661 -3.046 15.987 1.00 0.00 C ATOM 1026 OG SER A 64 89.465 -3.372 16.683 1.00 0.00 O ATOM 0 H SER A 64 92.984 -2.488 15.263 1.00 0.00 H new ATOM 0 HA SER A 64 91.578 -2.046 17.672 1.00 0.00 H new ATOM 0 HB2 SER A 64 90.524 -2.129 15.414 1.00 0.00 H new ATOM 0 HB3 SER A 64 90.908 -3.834 15.275 1.00 0.00 H new ATOM 0 HG SER A 64 88.710 -2.897 16.277 1.00 0.00 H new ATOM 1032 N ASN A 65 91.605 -4.168 19.042 1.00 0.00 N ATOM 1033 CA ASN A 65 91.713 -5.419 19.844 1.00 0.00 C ATOM 1034 C ASN A 65 90.501 -6.318 19.574 1.00 0.00 C ATOM 1035 O ASN A 65 90.635 -7.496 19.308 1.00 0.00 O ATOM 1036 CB ASN A 65 91.759 -5.074 21.334 1.00 0.00 C ATOM 1037 CG ASN A 65 93.039 -4.293 21.646 1.00 0.00 C ATOM 1038 OD1 ASN A 65 94.015 -4.284 20.779 1.00 0.00 O flip ATOM 1039 ND2 ASN A 65 93.151 -3.682 22.690 1.00 0.00 N flip ATOM 0 H ASN A 65 91.263 -3.352 19.550 1.00 0.00 H new ATOM 0 HA ASN A 65 92.625 -5.943 19.560 1.00 0.00 H new ATOM 0 HB2 ASN A 65 90.885 -4.482 21.607 1.00 0.00 H new ATOM 0 HB3 ASN A 65 91.724 -5.986 21.929 1.00 0.00 H new ATOM 0 HD21 ASN A 65 92.389 -3.688 23.369 1.00 0.00 H new ATOM 0 HD22 ASN A 65 94.007 -3.163 22.888 1.00 0.00 H new ATOM 1046 N ARG A 66 89.315 -5.772 19.661 1.00 0.00 N ATOM 1047 CA ARG A 66 88.091 -6.594 19.436 1.00 0.00 C ATOM 1048 C ARG A 66 87.957 -6.993 17.959 1.00 0.00 C ATOM 1049 O ARG A 66 87.538 -8.091 17.648 1.00 0.00 O ATOM 1050 CB ARG A 66 86.854 -5.805 19.883 1.00 0.00 C ATOM 1051 CG ARG A 66 86.635 -4.602 18.964 1.00 0.00 C ATOM 1052 CD ARG A 66 85.521 -3.726 19.545 1.00 0.00 C ATOM 1053 NE ARG A 66 85.117 -2.682 18.545 1.00 0.00 N ATOM 1054 CZ ARG A 66 85.984 -1.847 18.037 1.00 0.00 C ATOM 1055 NH1 ARG A 66 87.184 -1.751 18.539 1.00 0.00 N ATOM 1056 NH2 ARG A 66 85.626 -1.060 17.060 1.00 0.00 N ATOM 0 H ARG A 66 89.143 -4.791 19.879 1.00 0.00 H new ATOM 0 HA ARG A 66 88.174 -7.507 20.025 1.00 0.00 H new ATOM 0 HB2 ARG A 66 85.976 -6.450 19.865 1.00 0.00 H new ATOM 0 HB3 ARG A 66 86.981 -5.468 20.912 1.00 0.00 H new ATOM 0 HG2 ARG A 66 87.556 -4.027 18.871 1.00 0.00 H new ATOM 0 HG3 ARG A 66 86.366 -4.938 17.962 1.00 0.00 H new ATOM 0 HD2 ARG A 66 84.661 -4.343 19.807 1.00 0.00 H new ATOM 0 HD3 ARG A 66 85.863 -3.249 20.463 1.00 0.00 H new ATOM 0 HE ARG A 66 84.141 -2.623 18.255 1.00 0.00 H new ATOM 0 HH11 ARG A 66 87.452 -2.331 19.334 1.00 0.00 H new ATOM 0 HH12 ARG A 66 87.855 -1.096 18.136 1.00 0.00 H new ATOM 0 HH21 ARG A 66 84.674 -1.099 16.697 1.00 0.00 H new ATOM 0 HH22 ARG A 66 86.298 -0.406 16.659 1.00 0.00 H new ATOM 1070 N ASP A 67 88.294 -6.122 17.042 1.00 0.00 N ATOM 1071 CA ASP A 67 88.165 -6.480 15.592 1.00 0.00 C ATOM 1072 C ASP A 67 89.455 -7.140 15.105 1.00 0.00 C ATOM 1073 O ASP A 67 90.480 -6.498 14.981 1.00 0.00 O ATOM 1074 CB ASP A 67 87.908 -5.220 14.763 1.00 0.00 C ATOM 1075 CG ASP A 67 87.635 -5.619 13.311 1.00 0.00 C ATOM 1076 OD1 ASP A 67 87.735 -6.797 13.012 1.00 0.00 O ATOM 1077 OD2 ASP A 67 87.324 -4.739 12.525 1.00 0.00 O ATOM 0 H ASP A 67 88.650 -5.185 17.230 1.00 0.00 H new ATOM 0 HA ASP A 67 87.330 -7.171 15.475 1.00 0.00 H new ATOM 0 HB2 ASP A 67 87.058 -4.671 15.168 1.00 0.00 H new ATOM 0 HB3 ASP A 67 88.770 -4.555 14.814 1.00 0.00 H new ATOM 1082 N ASN A 68 89.412 -8.421 14.827 1.00 0.00 N ATOM 1083 CA ASN A 68 90.633 -9.140 14.343 1.00 0.00 C ATOM 1084 C ASN A 68 90.481 -9.500 12.858 1.00 0.00 C ATOM 1085 O ASN A 68 91.456 -9.793 12.194 1.00 0.00 O ATOM 1086 CB ASN A 68 90.818 -10.428 15.154 1.00 0.00 C ATOM 1087 CG ASN A 68 91.177 -10.081 16.601 1.00 0.00 C ATOM 1088 OD1 ASN A 68 92.068 -9.156 16.839 1.00 0.00 O flip ATOM 1089 ND2 ASN A 68 90.642 -10.660 17.526 1.00 0.00 N flip ATOM 0 H ASN A 68 88.579 -9.003 14.915 1.00 0.00 H new ATOM 0 HA ASN A 68 91.500 -8.491 14.468 1.00 0.00 H new ATOM 0 HB2 ASN A 68 89.903 -11.020 15.128 1.00 0.00 H new ATOM 0 HB3 ASN A 68 91.605 -11.038 14.711 1.00 0.00 H new ATOM 0 HD21 ASN A 68 89.946 -11.382 17.341 1.00 0.00 H new ATOM 0 HD22 ASN A 68 90.889 -10.423 18.487 1.00 0.00 H new ATOM 1096 N GLU A 69 89.270 -9.509 12.334 1.00 0.00 N ATOM 1097 CA GLU A 69 89.065 -9.884 10.888 1.00 0.00 C ATOM 1098 C GLU A 69 88.307 -8.774 10.134 1.00 0.00 C ATOM 1099 O GLU A 69 87.638 -7.952 10.726 1.00 0.00 O ATOM 1100 CB GLU A 69 88.266 -11.198 10.829 1.00 0.00 C ATOM 1101 CG GLU A 69 88.552 -11.932 9.516 1.00 0.00 C ATOM 1102 CD GLU A 69 87.883 -13.308 9.544 1.00 0.00 C ATOM 1103 OE1 GLU A 69 87.028 -13.513 10.389 1.00 0.00 O ATOM 1104 OE2 GLU A 69 88.250 -14.139 8.729 1.00 0.00 O ATOM 0 H GLU A 69 88.418 -9.274 12.843 1.00 0.00 H new ATOM 0 HA GLU A 69 90.036 -10.012 10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 69 88.532 -11.832 11.674 1.00 0.00 H new ATOM 0 HB3 GLU A 69 87.200 -10.988 10.912 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.178 -11.351 8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 69 89.627 -12.041 9.375 1.00 0.00 H new ATOM 1111 N VAL A 70 88.409 -8.762 8.821 1.00 0.00 N ATOM 1112 CA VAL A 70 87.703 -7.727 7.992 1.00 0.00 C ATOM 1113 C VAL A 70 86.582 -8.404 7.220 1.00 0.00 C ATOM 1114 O VAL A 70 86.807 -9.092 6.243 1.00 0.00 O ATOM 1115 CB VAL A 70 88.701 -7.119 6.994 1.00 0.00 C ATOM 1116 CG1 VAL A 70 88.239 -5.726 6.567 1.00 0.00 C ATOM 1117 CG2 VAL A 70 90.080 -7.024 7.646 1.00 0.00 C ATOM 0 H VAL A 70 88.958 -9.433 8.284 1.00 0.00 H new ATOM 0 HA VAL A 70 87.298 -6.944 8.634 1.00 0.00 H new ATOM 0 HB VAL A 70 88.756 -7.758 6.113 1.00 0.00 H new ATOM 0 HG11 VAL A 70 88.955 -5.306 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 70 87.260 -5.797 6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 70 88.173 -5.080 7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 70 90.788 -6.593 6.938 1.00 0.00 H new ATOM 0 HG22 VAL A 70 90.021 -6.391 8.532 1.00 0.00 H new ATOM 0 HG23 VAL A 70 90.416 -8.020 7.934 1.00 0.00 H new ATOM 1127 N ASP A 71 85.376 -8.180 7.623 1.00 0.00 N ATOM 1128 CA ASP A 71 84.239 -8.774 6.885 1.00 0.00 C ATOM 1129 C ASP A 71 84.071 -7.942 5.626 1.00 0.00 C ATOM 1130 O ASP A 71 84.561 -6.831 5.557 1.00 0.00 O ATOM 1131 CB ASP A 71 82.959 -8.693 7.724 1.00 0.00 C ATOM 1132 CG ASP A 71 83.138 -9.479 9.023 1.00 0.00 C ATOM 1133 OD1 ASP A 71 83.627 -10.592 8.956 1.00 0.00 O ATOM 1134 OD2 ASP A 71 82.778 -8.954 10.062 1.00 0.00 O ATOM 0 H ASP A 71 85.124 -7.611 8.432 1.00 0.00 H new ATOM 0 HA ASP A 71 84.425 -9.824 6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 71 82.726 -7.652 7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 71 82.117 -9.094 7.159 1.00 0.00 H new ATOM 1139 N PHE A 72 83.394 -8.428 4.630 1.00 0.00 N ATOM 1140 CA PHE A 72 83.232 -7.601 3.414 1.00 0.00 C ATOM 1141 C PHE A 72 82.669 -6.249 3.858 1.00 0.00 C ATOM 1142 O PHE A 72 82.973 -5.214 3.300 1.00 0.00 O ATOM 1143 CB PHE A 72 82.263 -8.282 2.451 1.00 0.00 C ATOM 1144 CG PHE A 72 82.323 -7.579 1.122 1.00 0.00 C ATOM 1145 CD1 PHE A 72 81.517 -6.465 0.882 1.00 0.00 C ATOM 1146 CD2 PHE A 72 83.196 -8.043 0.134 1.00 0.00 C ATOM 1147 CE1 PHE A 72 81.584 -5.811 -0.352 1.00 0.00 C ATOM 1148 CE2 PHE A 72 83.262 -7.392 -1.098 1.00 0.00 C ATOM 1149 CZ PHE A 72 82.457 -6.274 -1.344 1.00 0.00 C ATOM 0 H PHE A 72 82.953 -9.347 4.605 1.00 0.00 H new ATOM 0 HA PHE A 72 84.185 -7.471 2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 72 82.525 -9.334 2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 72 81.249 -8.249 2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 72 80.843 -6.109 1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 72 83.819 -8.905 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 72 80.962 -4.948 -0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 72 83.935 -7.751 -1.863 1.00 0.00 H new ATOM 0 HZ PHE A 72 82.509 -5.769 -2.297 1.00 0.00 H new ATOM 1159 N GLN A 73 81.857 -6.266 4.882 1.00 0.00 N ATOM 1160 CA GLN A 73 81.273 -5.004 5.402 1.00 0.00 C ATOM 1161 C GLN A 73 82.360 -4.154 6.081 1.00 0.00 C ATOM 1162 O GLN A 73 82.370 -2.950 5.943 1.00 0.00 O ATOM 1163 CB GLN A 73 80.177 -5.333 6.425 1.00 0.00 C ATOM 1164 CG GLN A 73 79.551 -4.037 6.961 1.00 0.00 C ATOM 1165 CD GLN A 73 78.461 -4.378 7.977 1.00 0.00 C ATOM 1166 OE1 GLN A 73 78.080 -5.523 8.115 1.00 0.00 O ATOM 1167 NE2 GLN A 73 77.952 -3.427 8.712 1.00 0.00 N ATOM 0 H GLN A 73 81.574 -7.109 5.381 1.00 0.00 H new ATOM 0 HA GLN A 73 80.849 -4.442 4.570 1.00 0.00 H new ATOM 0 HB2 GLN A 73 79.409 -5.952 5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 73 80.598 -5.910 7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 73 80.316 -3.417 7.428 1.00 0.00 H new ATOM 0 HG3 GLN A 73 79.129 -3.458 6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 73 78.272 -2.466 8.596 1.00 0.00 H new ATOM 0 HE22 GLN A 73 77.234 -3.645 9.403 1.00 0.00 H new ATOM 1176 N GLU A 74 83.272 -4.746 6.827 1.00 0.00 N ATOM 1177 CA GLU A 74 84.305 -3.915 7.497 1.00 0.00 C ATOM 1178 C GLU A 74 85.239 -3.321 6.455 1.00 0.00 C ATOM 1179 O GLU A 74 85.670 -2.191 6.569 1.00 0.00 O ATOM 1180 CB GLU A 74 85.085 -4.762 8.502 1.00 0.00 C ATOM 1181 CG GLU A 74 84.167 -5.102 9.680 1.00 0.00 C ATOM 1182 CD GLU A 74 84.925 -5.945 10.706 1.00 0.00 C ATOM 1183 OE1 GLU A 74 86.092 -6.207 10.478 1.00 0.00 O ATOM 1184 OE2 GLU A 74 84.328 -6.305 11.706 1.00 0.00 O ATOM 0 H GLU A 74 83.337 -5.750 6.992 1.00 0.00 H new ATOM 0 HA GLU A 74 83.821 -3.101 8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 74 85.444 -5.675 8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 74 85.963 -4.219 8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 74 83.805 -4.186 10.146 1.00 0.00 H new ATOM 0 HG3 GLU A 74 83.292 -5.646 9.325 1.00 0.00 H new ATOM 1191 N TYR A 75 85.549 -4.060 5.435 1.00 0.00 N ATOM 1192 CA TYR A 75 86.445 -3.514 4.392 1.00 0.00 C ATOM 1193 C TYR A 75 85.785 -2.264 3.794 1.00 0.00 C ATOM 1194 O TYR A 75 86.427 -1.265 3.539 1.00 0.00 O ATOM 1195 CB TYR A 75 86.653 -4.569 3.305 1.00 0.00 C ATOM 1196 CG TYR A 75 87.508 -4.005 2.191 1.00 0.00 C ATOM 1197 CD1 TYR A 75 88.832 -3.626 2.447 1.00 0.00 C ATOM 1198 CD2 TYR A 75 86.980 -3.874 0.898 1.00 0.00 C ATOM 1199 CE1 TYR A 75 89.625 -3.114 1.412 1.00 0.00 C ATOM 1200 CE2 TYR A 75 87.773 -3.361 -0.134 1.00 0.00 C ATOM 1201 CZ TYR A 75 89.095 -2.982 0.123 1.00 0.00 C ATOM 1202 OH TYR A 75 89.876 -2.480 -0.896 1.00 0.00 O ATOM 0 H TYR A 75 85.222 -5.014 5.279 1.00 0.00 H new ATOM 0 HA TYR A 75 87.413 -3.251 4.818 1.00 0.00 H new ATOM 0 HB2 TYR A 75 87.131 -5.451 3.730 1.00 0.00 H new ATOM 0 HB3 TYR A 75 85.689 -4.889 2.908 1.00 0.00 H new ATOM 0 HD1 TYR A 75 89.241 -3.728 3.441 1.00 0.00 H new ATOM 0 HD2 TYR A 75 85.960 -4.169 0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 75 90.646 -2.821 1.609 1.00 0.00 H new ATOM 0 HE2 TYR A 75 87.365 -3.258 -1.129 1.00 0.00 H new ATOM 0 HH TYR A 75 90.087 -3.197 -1.530 1.00 0.00 H new ATOM 1212 N CYS A 76 84.494 -2.317 3.599 1.00 0.00 N ATOM 1213 CA CYS A 76 83.745 -1.151 3.049 1.00 0.00 C ATOM 1214 C CYS A 76 83.693 -0.058 4.109 1.00 0.00 C ATOM 1215 O CYS A 76 83.835 1.112 3.811 1.00 0.00 O ATOM 1216 CB CYS A 76 82.320 -1.574 2.685 1.00 0.00 C ATOM 1217 SG CYS A 76 82.375 -3.045 1.633 1.00 0.00 S ATOM 0 H CYS A 76 83.918 -3.134 3.802 1.00 0.00 H new ATOM 0 HA CYS A 76 84.246 -0.782 2.154 1.00 0.00 H new ATOM 0 HB2 CYS A 76 81.749 -1.783 3.590 1.00 0.00 H new ATOM 0 HB3 CYS A 76 81.810 -0.762 2.166 1.00 0.00 H new ATOM 0 HG CYS A 76 82.227 -4.108 2.366 1.00 0.00 H new ATOM 1223 N VAL A 77 83.505 -0.420 5.353 1.00 0.00 N ATOM 1224 CA VAL A 77 83.468 0.628 6.402 1.00 0.00 C ATOM 1225 C VAL A 77 84.808 1.339 6.365 1.00 0.00 C ATOM 1226 O VAL A 77 84.886 2.547 6.478 1.00 0.00 O ATOM 1227 CB VAL A 77 83.255 -0.008 7.780 1.00 0.00 C ATOM 1228 CG1 VAL A 77 83.466 1.045 8.875 1.00 0.00 C ATOM 1229 CG2 VAL A 77 81.828 -0.566 7.879 1.00 0.00 C ATOM 0 H VAL A 77 83.378 -1.379 5.678 1.00 0.00 H new ATOM 0 HA VAL A 77 82.648 1.324 6.223 1.00 0.00 H new ATOM 0 HB VAL A 77 83.972 -0.818 7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 77 83.314 0.589 9.853 1.00 0.00 H new ATOM 0 HG12 VAL A 77 84.481 1.437 8.812 1.00 0.00 H new ATOM 0 HG13 VAL A 77 82.754 1.859 8.739 1.00 0.00 H new ATOM 0 HG21 VAL A 77 81.681 -1.017 8.860 1.00 0.00 H new ATOM 0 HG22 VAL A 77 81.111 0.243 7.740 1.00 0.00 H new ATOM 0 HG23 VAL A 77 81.678 -1.320 7.107 1.00 0.00 H new ATOM 1239 N PHE A 78 85.872 0.604 6.182 1.00 0.00 N ATOM 1240 CA PHE A 78 87.194 1.262 6.111 1.00 0.00 C ATOM 1241 C PHE A 78 87.266 2.072 4.816 1.00 0.00 C ATOM 1242 O PHE A 78 87.752 3.181 4.811 1.00 0.00 O ATOM 1243 CB PHE A 78 88.320 0.220 6.155 1.00 0.00 C ATOM 1244 CG PHE A 78 88.422 -0.377 7.548 1.00 0.00 C ATOM 1245 CD1 PHE A 78 88.725 0.443 8.648 1.00 0.00 C ATOM 1246 CD2 PHE A 78 88.218 -1.751 7.745 1.00 0.00 C ATOM 1247 CE1 PHE A 78 88.819 -0.109 9.930 1.00 0.00 C ATOM 1248 CE2 PHE A 78 88.313 -2.301 9.030 1.00 0.00 C ATOM 1249 CZ PHE A 78 88.612 -1.479 10.122 1.00 0.00 C ATOM 0 H PHE A 78 85.877 -0.411 6.080 1.00 0.00 H new ATOM 0 HA PHE A 78 87.320 1.923 6.968 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.127 -0.567 5.426 1.00 0.00 H new ATOM 0 HB3 PHE A 78 89.267 0.684 5.879 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.886 1.501 8.504 1.00 0.00 H new ATOM 0 HD2 PHE A 78 87.987 -2.387 6.903 1.00 0.00 H new ATOM 0 HE1 PHE A 78 89.052 0.524 10.773 1.00 0.00 H new ATOM 0 HE2 PHE A 78 88.155 -3.359 9.178 1.00 0.00 H new ATOM 0 HZ PHE A 78 88.683 -1.902 11.113 1.00 0.00 H new ATOM 1259 N LEU A 79 86.752 1.565 3.717 1.00 0.00 N ATOM 1260 CA LEU A 79 86.793 2.396 2.471 1.00 0.00 C ATOM 1261 C LEU A 79 85.870 3.598 2.656 1.00 0.00 C ATOM 1262 O LEU A 79 86.182 4.704 2.258 1.00 0.00 O ATOM 1263 CB LEU A 79 86.351 1.601 1.234 1.00 0.00 C ATOM 1264 CG LEU A 79 87.397 0.540 0.850 1.00 0.00 C ATOM 1265 CD1 LEU A 79 86.880 -0.233 -0.373 1.00 0.00 C ATOM 1266 CD2 LEU A 79 88.748 1.211 0.501 1.00 0.00 C ATOM 0 H LEU A 79 86.321 0.645 3.629 1.00 0.00 H new ATOM 0 HA LEU A 79 87.822 2.715 2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.395 1.117 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 79 86.196 2.282 0.397 1.00 0.00 H new ATOM 0 HG LEU A 79 87.554 -0.135 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 79 87.610 -0.990 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 79 85.934 -0.715 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 79 86.729 0.458 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 79 89.476 0.445 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 79 88.610 1.892 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 79 89.111 1.769 1.364 1.00 0.00 H new ATOM 1278 N SER A 80 84.740 3.387 3.265 1.00 0.00 N ATOM 1279 CA SER A 80 83.791 4.510 3.490 1.00 0.00 C ATOM 1280 C SER A 80 84.420 5.456 4.501 1.00 0.00 C ATOM 1281 O SER A 80 84.363 6.662 4.367 1.00 0.00 O ATOM 1282 CB SER A 80 82.475 3.968 4.048 1.00 0.00 C ATOM 1283 OG SER A 80 82.652 3.616 5.414 1.00 0.00 O ATOM 0 H SER A 80 84.431 2.482 3.618 1.00 0.00 H new ATOM 0 HA SER A 80 83.588 5.030 2.554 1.00 0.00 H new ATOM 0 HB2 SER A 80 81.690 4.718 3.953 1.00 0.00 H new ATOM 0 HB3 SER A 80 82.155 3.098 3.475 1.00 0.00 H new ATOM 0 HG SER A 80 83.473 3.091 5.513 1.00 0.00 H new ATOM 1289 N CYS A 81 85.055 4.906 5.494 1.00 0.00 N ATOM 1290 CA CYS A 81 85.732 5.754 6.499 1.00 0.00 C ATOM 1291 C CYS A 81 86.778 6.580 5.765 1.00 0.00 C ATOM 1292 O CYS A 81 87.007 7.732 6.072 1.00 0.00 O ATOM 1293 CB CYS A 81 86.414 4.871 7.548 1.00 0.00 C ATOM 1294 SG CYS A 81 87.109 5.912 8.855 1.00 0.00 S ATOM 0 H CYS A 81 85.133 3.901 5.650 1.00 0.00 H new ATOM 0 HA CYS A 81 85.015 6.399 7.006 1.00 0.00 H new ATOM 0 HB2 CYS A 81 85.695 4.170 7.971 1.00 0.00 H new ATOM 0 HB3 CYS A 81 87.202 4.278 7.083 1.00 0.00 H new ATOM 0 HG CYS A 81 87.686 5.162 9.746 1.00 0.00 H new ATOM 1300 N ILE A 82 87.408 5.994 4.780 1.00 0.00 N ATOM 1301 CA ILE A 82 88.436 6.758 4.013 1.00 0.00 C ATOM 1302 C ILE A 82 87.744 7.839 3.180 1.00 0.00 C ATOM 1303 O ILE A 82 88.225 8.950 3.068 1.00 0.00 O ATOM 1304 CB ILE A 82 89.228 5.806 3.100 1.00 0.00 C ATOM 1305 CG1 ILE A 82 90.176 4.959 3.957 1.00 0.00 C ATOM 1306 CG2 ILE A 82 90.043 6.611 2.080 1.00 0.00 C ATOM 1307 CD1 ILE A 82 90.785 3.838 3.109 1.00 0.00 C ATOM 0 H ILE A 82 87.258 5.032 4.476 1.00 0.00 H new ATOM 0 HA ILE A 82 89.132 7.229 4.707 1.00 0.00 H new ATOM 0 HB ILE A 82 88.532 5.158 2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 82 90.967 5.586 4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 82 89.634 4.534 4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 82 90.600 5.928 1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 82 89.370 7.213 1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 82 90.739 7.265 2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 82 91.457 3.240 3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 82 89.989 3.203 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 82 91.342 4.272 2.279 1.00 0.00 H new ATOM 1319 N ALA A 83 86.619 7.531 2.600 1.00 0.00 N ATOM 1320 CA ALA A 83 85.910 8.551 1.783 1.00 0.00 C ATOM 1321 C ALA A 83 85.474 9.708 2.675 1.00 0.00 C ATOM 1322 O ALA A 83 85.651 10.856 2.343 1.00 0.00 O ATOM 1323 CB ALA A 83 84.675 7.932 1.150 1.00 0.00 C ATOM 0 H ALA A 83 86.162 6.621 2.656 1.00 0.00 H new ATOM 0 HA ALA A 83 86.583 8.913 1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 83 84.158 8.682 0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 83 84.972 7.100 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 83 84.008 7.569 1.932 1.00 0.00 H new ATOM 1329 N MET A 84 84.906 9.420 3.809 1.00 0.00 N ATOM 1330 CA MET A 84 84.473 10.523 4.703 1.00 0.00 C ATOM 1331 C MET A 84 85.709 11.246 5.209 1.00 0.00 C ATOM 1332 O MET A 84 85.714 12.449 5.378 1.00 0.00 O ATOM 1333 CB MET A 84 83.661 9.962 5.866 1.00 0.00 C ATOM 1334 CG MET A 84 82.315 9.463 5.334 1.00 0.00 C ATOM 1335 SD MET A 84 81.328 8.800 6.699 1.00 0.00 S ATOM 1336 CE MET A 84 82.376 7.375 7.077 1.00 0.00 C ATOM 0 H MET A 84 84.724 8.477 4.153 1.00 0.00 H new ATOM 0 HA MET A 84 83.840 11.224 4.158 1.00 0.00 H new ATOM 0 HB2 MET A 84 84.203 9.147 6.346 1.00 0.00 H new ATOM 0 HB3 MET A 84 83.506 10.731 6.623 1.00 0.00 H new ATOM 0 HG2 MET A 84 81.780 10.279 4.848 1.00 0.00 H new ATOM 0 HG3 MET A 84 82.474 8.692 4.580 1.00 0.00 H new ATOM 0 HE1 MET A 84 81.794 6.629 7.618 1.00 0.00 H new ATOM 0 HE2 MET A 84 82.749 6.942 6.149 1.00 0.00 H new ATOM 0 HE3 MET A 84 83.217 7.695 7.692 1.00 0.00 H new ATOM 1346 N MET A 85 86.771 10.529 5.420 1.00 0.00 N ATOM 1347 CA MET A 85 88.011 11.190 5.876 1.00 0.00 C ATOM 1348 C MET A 85 88.400 12.204 4.806 1.00 0.00 C ATOM 1349 O MET A 85 88.949 13.248 5.096 1.00 0.00 O ATOM 1350 CB MET A 85 89.127 10.154 6.049 1.00 0.00 C ATOM 1351 CG MET A 85 90.391 10.848 6.568 1.00 0.00 C ATOM 1352 SD MET A 85 91.714 9.627 6.775 1.00 0.00 S ATOM 1353 CE MET A 85 91.990 9.240 5.024 1.00 0.00 C ATOM 0 H MET A 85 86.832 9.518 5.296 1.00 0.00 H new ATOM 0 HA MET A 85 87.857 11.681 6.837 1.00 0.00 H new ATOM 0 HB2 MET A 85 88.813 9.378 6.747 1.00 0.00 H new ATOM 0 HB3 MET A 85 89.333 9.663 5.098 1.00 0.00 H new ATOM 0 HG2 MET A 85 90.705 11.624 5.870 1.00 0.00 H new ATOM 0 HG3 MET A 85 90.184 11.339 7.519 1.00 0.00 H new ATOM 0 HE1 MET A 85 92.996 8.841 4.894 1.00 0.00 H new ATOM 0 HE2 MET A 85 91.260 8.500 4.696 1.00 0.00 H new ATOM 0 HE3 MET A 85 91.880 10.147 4.429 1.00 0.00 H new ATOM 1363 N CYS A 86 88.104 11.912 3.563 1.00 0.00 N ATOM 1364 CA CYS A 86 88.448 12.881 2.487 1.00 0.00 C ATOM 1365 C CYS A 86 87.806 12.454 1.167 1.00 0.00 C ATOM 1366 O CYS A 86 88.469 11.984 0.261 1.00 0.00 O ATOM 1367 CB CYS A 86 89.970 12.949 2.330 1.00 0.00 C ATOM 1368 SG CYS A 86 90.625 11.290 2.030 1.00 0.00 S ATOM 0 H CYS A 86 87.645 11.055 3.254 1.00 0.00 H new ATOM 0 HA CYS A 86 88.067 13.866 2.757 1.00 0.00 H new ATOM 0 HB2 CYS A 86 90.231 13.609 1.503 1.00 0.00 H new ATOM 0 HB3 CYS A 86 90.420 13.371 3.229 1.00 0.00 H new ATOM 0 HG CYS A 86 89.985 10.743 1.040 1.00 0.00 H new ATOM 1374 N ASN A 87 86.518 12.617 1.050 1.00 0.00 N ATOM 1375 CA ASN A 87 85.825 12.225 -0.209 1.00 0.00 C ATOM 1376 C ASN A 87 86.236 13.182 -1.327 1.00 0.00 C ATOM 1377 O ASN A 87 86.726 12.771 -2.362 1.00 0.00 O ATOM 1378 CB ASN A 87 84.310 12.311 -0.001 1.00 0.00 C ATOM 1379 CG ASN A 87 83.588 11.741 -1.222 1.00 0.00 C ATOM 1380 OD1 ASN A 87 83.944 10.690 -1.718 1.00 0.00 O ATOM 1381 ND2 ASN A 87 82.579 12.394 -1.732 1.00 0.00 N ATOM 0 H ASN A 87 85.914 13.006 1.774 1.00 0.00 H new ATOM 0 HA ASN A 87 86.100 11.205 -0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 87 84.024 11.757 0.893 1.00 0.00 H new ATOM 0 HB3 ASN A 87 84.013 13.348 0.157 1.00 0.00 H new ATOM 0 HD21 ASN A 87 82.090 12.022 -2.546 1.00 0.00 H new ATOM 0 HD22 ASN A 87 82.280 13.276 -1.316 1.00 0.00 H new ATOM 1388 N GLU A 88 86.047 14.459 -1.121 1.00 0.00 N ATOM 1389 CA GLU A 88 86.432 15.460 -2.162 1.00 0.00 C ATOM 1390 C GLU A 88 87.777 16.079 -1.789 1.00 0.00 C ATOM 1391 O GLU A 88 87.874 16.860 -0.862 1.00 0.00 O ATOM 1392 CB GLU A 88 85.372 16.558 -2.222 1.00 0.00 C ATOM 1393 CG GLU A 88 84.084 15.987 -2.815 1.00 0.00 C ATOM 1394 CD GLU A 88 83.005 17.072 -2.829 1.00 0.00 C ATOM 1395 OE1 GLU A 88 82.408 17.299 -1.789 1.00 0.00 O ATOM 1396 OE2 GLU A 88 82.793 17.656 -3.878 1.00 0.00 O ATOM 0 H GLU A 88 85.641 14.854 -0.273 1.00 0.00 H new ATOM 0 HA GLU A 88 86.508 14.970 -3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 88 85.183 16.951 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 88 85.728 17.390 -2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 88 84.266 15.626 -3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 88 83.748 15.132 -2.228 1.00 0.00 H new ATOM 1403 N PHE A 89 88.815 15.751 -2.506 1.00 0.00 N ATOM 1404 CA PHE A 89 90.153 16.332 -2.197 1.00 0.00 C ATOM 1405 C PHE A 89 90.408 16.261 -0.688 1.00 0.00 C ATOM 1406 O PHE A 89 89.997 15.332 -0.028 1.00 0.00 O ATOM 1407 CB PHE A 89 90.171 17.790 -2.657 1.00 0.00 C ATOM 1408 CG PHE A 89 89.873 17.833 -4.133 1.00 0.00 C ATOM 1409 CD1 PHE A 89 90.914 17.708 -5.060 1.00 0.00 C ATOM 1410 CD2 PHE A 89 88.554 17.985 -4.575 1.00 0.00 C ATOM 1411 CE1 PHE A 89 90.634 17.735 -6.432 1.00 0.00 C ATOM 1412 CE2 PHE A 89 88.274 18.015 -5.946 1.00 0.00 C ATOM 1413 CZ PHE A 89 89.315 17.890 -6.875 1.00 0.00 C ATOM 0 H PHE A 89 88.795 15.104 -3.295 1.00 0.00 H new ATOM 0 HA PHE A 89 90.932 15.771 -2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 89 89.431 18.370 -2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 89 91.144 18.238 -2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 89 91.932 17.591 -4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 89 87.752 18.079 -3.858 1.00 0.00 H new ATOM 0 HE1 PHE A 89 91.436 17.636 -7.149 1.00 0.00 H new ATOM 0 HE2 PHE A 89 87.256 18.134 -6.287 1.00 0.00 H new ATOM 0 HZ PHE A 89 89.100 17.913 -7.933 1.00 0.00 H new ATOM 1423 N PHE A 90 91.072 17.243 -0.137 1.00 0.00 N ATOM 1424 CA PHE A 90 91.344 17.244 1.332 1.00 0.00 C ATOM 1425 C PHE A 90 90.262 18.064 2.039 1.00 0.00 C ATOM 1426 O PHE A 90 90.268 18.215 3.245 1.00 0.00 O ATOM 1427 CB PHE A 90 92.714 17.879 1.581 1.00 0.00 C ATOM 1428 CG PHE A 90 92.745 19.247 0.944 1.00 0.00 C ATOM 1429 CD1 PHE A 90 93.115 19.382 -0.399 1.00 0.00 C ATOM 1430 CD2 PHE A 90 92.392 20.376 1.692 1.00 0.00 C ATOM 1431 CE1 PHE A 90 93.135 20.648 -0.994 1.00 0.00 C ATOM 1432 CE2 PHE A 90 92.411 21.642 1.097 1.00 0.00 C ATOM 1433 CZ PHE A 90 92.783 21.778 -0.247 1.00 0.00 C ATOM 0 H PHE A 90 91.440 18.049 -0.643 1.00 0.00 H new ATOM 0 HA PHE A 90 91.337 16.224 1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 90 92.903 17.958 2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 90 93.501 17.251 1.163 1.00 0.00 H new ATOM 0 HD1 PHE A 90 93.385 18.510 -0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 90 92.105 20.270 2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.422 20.753 -2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 90 92.139 22.514 1.673 1.00 0.00 H new ATOM 0 HZ PHE A 90 92.798 22.755 -0.707 1.00 0.00 H new ATOM 1443 N GLU A 91 89.336 18.600 1.290 1.00 0.00 N ATOM 1444 CA GLU A 91 88.249 19.421 1.901 1.00 0.00 C ATOM 1445 C GLU A 91 87.442 18.591 2.902 1.00 0.00 C ATOM 1446 O GLU A 91 87.064 19.074 3.950 1.00 0.00 O ATOM 1447 CB GLU A 91 87.321 19.929 0.797 1.00 0.00 C ATOM 1448 CG GLU A 91 88.045 20.988 -0.035 1.00 0.00 C ATOM 1449 CD GLU A 91 87.154 21.412 -1.204 1.00 0.00 C ATOM 1450 OE1 GLU A 91 86.093 20.829 -1.356 1.00 0.00 O ATOM 1451 OE2 GLU A 91 87.548 22.314 -1.925 1.00 0.00 O ATOM 0 H GLU A 91 89.285 18.504 0.276 1.00 0.00 H new ATOM 0 HA GLU A 91 88.698 20.262 2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 91 87.010 19.101 0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 91 86.416 20.351 1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 91 88.286 21.852 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 91 88.989 20.591 -0.408 1.00 0.00 H new ATOM 1458 N GLY A 92 87.167 17.352 2.596 1.00 0.00 N ATOM 1459 CA GLY A 92 86.378 16.519 3.549 1.00 0.00 C ATOM 1460 C GLY A 92 87.014 16.616 4.936 1.00 0.00 C ATOM 1461 O GLY A 92 88.221 16.616 5.073 1.00 0.00 O ATOM 0 H GLY A 92 87.451 16.884 1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 92 85.344 16.863 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 92 86.358 15.482 3.215 1.00 0.00 H new ATOM 1465 N PHE A 93 86.219 16.714 5.967 1.00 0.00 N ATOM 1466 CA PHE A 93 86.797 16.825 7.338 1.00 0.00 C ATOM 1467 C PHE A 93 87.186 15.419 7.841 1.00 0.00 C ATOM 1468 O PHE A 93 86.531 14.451 7.513 1.00 0.00 O ATOM 1469 CB PHE A 93 85.754 17.442 8.275 1.00 0.00 C ATOM 1470 CG PHE A 93 85.043 18.571 7.559 1.00 0.00 C ATOM 1471 CD1 PHE A 93 85.780 19.638 7.026 1.00 0.00 C ATOM 1472 CD2 PHE A 93 83.647 18.553 7.424 1.00 0.00 C ATOM 1473 CE1 PHE A 93 85.125 20.680 6.360 1.00 0.00 C ATOM 1474 CE2 PHE A 93 82.993 19.596 6.759 1.00 0.00 C ATOM 1475 CZ PHE A 93 83.732 20.660 6.227 1.00 0.00 C ATOM 0 H PHE A 93 85.200 16.722 5.921 1.00 0.00 H new ATOM 0 HA PHE A 93 87.684 17.458 7.318 1.00 0.00 H new ATOM 0 HB2 PHE A 93 85.035 16.684 8.587 1.00 0.00 H new ATOM 0 HB3 PHE A 93 86.236 17.815 9.179 1.00 0.00 H new ATOM 0 HD1 PHE A 93 86.855 19.656 7.130 1.00 0.00 H new ATOM 0 HD2 PHE A 93 83.076 17.733 7.834 1.00 0.00 H new ATOM 0 HE1 PHE A 93 85.695 21.500 5.948 1.00 0.00 H new ATOM 0 HE2 PHE A 93 81.918 19.581 6.656 1.00 0.00 H new ATOM 0 HZ PHE A 93 83.227 21.465 5.714 1.00 0.00 H new ATOM 1485 N PRO A 94 88.237 15.288 8.634 1.00 0.00 N ATOM 1486 CA PRO A 94 88.646 13.945 9.147 1.00 0.00 C ATOM 1487 C PRO A 94 87.607 13.359 10.118 1.00 0.00 C ATOM 1488 O PRO A 94 87.755 12.259 10.613 1.00 0.00 O ATOM 1489 CB PRO A 94 89.969 14.263 9.872 1.00 0.00 C ATOM 1490 CG PRO A 94 90.034 15.784 10.085 1.00 0.00 C ATOM 1491 CD PRO A 94 89.082 16.439 9.075 1.00 0.00 C ATOM 0 HA PRO A 94 88.740 13.195 8.361 1.00 0.00 H new ATOM 0 HB2 PRO A 94 90.016 13.741 10.828 1.00 0.00 H new ATOM 0 HB3 PRO A 94 90.820 13.923 9.281 1.00 0.00 H new ATOM 0 HG2 PRO A 94 89.745 16.040 11.104 1.00 0.00 H new ATOM 0 HG3 PRO A 94 91.052 16.147 9.942 1.00 0.00 H new ATOM 0 HD2 PRO A 94 88.486 17.228 9.532 1.00 0.00 H new ATOM 0 HD3 PRO A 94 89.621 16.889 8.242 1.00 0.00 H new ATOM 1499 N ASP A 95 86.566 14.095 10.398 1.00 0.00 N ATOM 1500 CA ASP A 95 85.519 13.603 11.344 1.00 0.00 C ATOM 1501 C ASP A 95 84.482 12.762 10.590 1.00 0.00 C ATOM 1502 O ASP A 95 83.783 13.253 9.725 1.00 0.00 O ATOM 1503 CB ASP A 95 84.832 14.810 11.984 1.00 0.00 C ATOM 1504 CG ASP A 95 83.815 14.337 13.022 1.00 0.00 C ATOM 1505 OD1 ASP A 95 83.411 13.189 12.948 1.00 0.00 O ATOM 1506 OD2 ASP A 95 83.455 15.134 13.872 1.00 0.00 O ATOM 0 H ASP A 95 86.393 15.022 10.010 1.00 0.00 H new ATOM 0 HA ASP A 95 85.981 12.983 12.112 1.00 0.00 H new ATOM 0 HB2 ASP A 95 85.574 15.454 12.456 1.00 0.00 H new ATOM 0 HB3 ASP A 95 84.334 15.405 11.218 1.00 0.00 H new ATOM 1511 N LYS A 96 84.378 11.496 10.907 1.00 0.00 N ATOM 1512 CA LYS A 96 83.386 10.630 10.202 1.00 0.00 C ATOM 1513 C LYS A 96 81.957 11.013 10.607 1.00 0.00 C ATOM 1514 O LYS A 96 81.071 11.074 9.777 1.00 0.00 O ATOM 1515 CB LYS A 96 83.645 9.161 10.558 1.00 0.00 C ATOM 1516 CG LYS A 96 83.594 8.976 12.083 1.00 0.00 C ATOM 1517 CD LYS A 96 84.170 7.607 12.477 1.00 0.00 C ATOM 1518 CE LYS A 96 83.145 6.502 12.200 1.00 0.00 C ATOM 1519 NZ LYS A 96 81.901 6.770 12.973 1.00 0.00 N ATOM 0 H LYS A 96 84.935 11.026 11.621 1.00 0.00 H new ATOM 0 HA LYS A 96 83.495 10.773 9.127 1.00 0.00 H new ATOM 0 HB2 LYS A 96 82.900 8.525 10.081 1.00 0.00 H new ATOM 0 HB3 LYS A 96 84.619 8.852 10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 96 84.160 9.770 12.571 1.00 0.00 H new ATOM 0 HG3 LYS A 96 82.564 9.058 12.431 1.00 0.00 H new ATOM 0 HD2 LYS A 96 85.084 7.414 11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 96 84.438 7.608 13.533 1.00 0.00 H new ATOM 0 HE2 LYS A 96 82.921 6.459 11.134 1.00 0.00 H new ATOM 0 HE3 LYS A 96 83.557 5.532 12.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 81.567 5.887 13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 82.098 7.471 13.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 81.168 7.139 12.334 1.00 0.00 H new ATOM 1533 N GLN A 97 81.722 11.267 11.873 1.00 0.00 N ATOM 1534 CA GLN A 97 80.346 11.647 12.341 1.00 0.00 C ATOM 1535 C GLN A 97 80.317 13.143 12.731 1.00 0.00 C ATOM 1536 O GLN A 97 80.749 13.491 13.813 1.00 0.00 O ATOM 1537 CB GLN A 97 79.991 10.805 13.577 1.00 0.00 C ATOM 1538 CG GLN A 97 79.552 9.401 13.141 1.00 0.00 C ATOM 1539 CD GLN A 97 78.117 9.453 12.605 1.00 0.00 C ATOM 1540 OE1 GLN A 97 77.540 10.610 12.429 1.00 0.00 O flip ATOM 1541 NE2 GLN A 97 77.517 8.429 12.347 1.00 0.00 N flip ATOM 0 H GLN A 97 82.428 11.228 12.608 1.00 0.00 H new ATOM 0 HA GLN A 97 79.629 11.468 11.540 1.00 0.00 H new ATOM 0 HB2 GLN A 97 80.852 10.737 14.241 1.00 0.00 H new ATOM 0 HB3 GLN A 97 79.192 11.287 14.140 1.00 0.00 H new ATOM 0 HG2 GLN A 97 80.225 9.021 12.372 1.00 0.00 H new ATOM 0 HG3 GLN A 97 79.611 8.713 13.984 1.00 0.00 H new ATOM 0 HE21 GLN A 97 77.969 7.525 12.485 1.00 0.00 H new ATOM 0 HE22 GLN A 97 76.562 8.473 11.993 1.00 0.00 H new ATOM 1550 N PRO A 98 79.815 14.033 11.893 1.00 0.00 N ATOM 1551 CA PRO A 98 79.774 15.477 12.268 1.00 0.00 C ATOM 1552 C PRO A 98 78.922 15.727 13.523 1.00 0.00 C ATOM 1553 O PRO A 98 77.745 15.429 13.554 1.00 0.00 O ATOM 1554 CB PRO A 98 79.153 16.139 11.019 1.00 0.00 C ATOM 1555 CG PRO A 98 79.003 15.068 9.921 1.00 0.00 C ATOM 1556 CD PRO A 98 79.272 13.688 10.548 1.00 0.00 C ATOM 0 HA PRO A 98 80.756 15.875 12.526 1.00 0.00 H new ATOM 0 HB2 PRO A 98 78.182 16.571 11.262 1.00 0.00 H new ATOM 0 HB3 PRO A 98 79.786 16.955 10.669 1.00 0.00 H new ATOM 0 HG2 PRO A 98 78.001 15.101 9.493 1.00 0.00 H new ATOM 0 HG3 PRO A 98 79.703 15.258 9.108 1.00 0.00 H new ATOM 0 HD2 PRO A 98 78.362 13.093 10.620 1.00 0.00 H new ATOM 0 HD3 PRO A 98 79.985 13.110 9.961 1.00 0.00 H new ATOM 1564 N ARG A 99 79.511 16.277 14.553 1.00 0.00 N ATOM 1565 CA ARG A 99 78.747 16.559 15.807 1.00 0.00 C ATOM 1566 C ARG A 99 78.354 18.039 15.825 1.00 0.00 C ATOM 1567 O ARG A 99 79.195 18.914 15.759 1.00 0.00 O ATOM 1568 CB ARG A 99 79.635 16.251 17.015 1.00 0.00 C ATOM 1569 CG ARG A 99 78.815 16.362 18.303 1.00 0.00 C ATOM 1570 CD ARG A 99 79.725 16.086 19.502 1.00 0.00 C ATOM 1571 NE ARG A 99 80.132 14.653 19.508 1.00 0.00 N ATOM 1572 CZ ARG A 99 81.161 14.275 20.214 1.00 0.00 C ATOM 1573 NH1 ARG A 99 81.829 15.152 20.911 1.00 0.00 N ATOM 1574 NH2 ARG A 99 81.524 13.021 20.223 1.00 0.00 N ATOM 0 H ARG A 99 80.495 16.545 14.580 1.00 0.00 H new ATOM 0 HA ARG A 99 77.851 15.940 15.847 1.00 0.00 H new ATOM 0 HB2 ARG A 99 80.053 15.248 16.924 1.00 0.00 H new ATOM 0 HB3 ARG A 99 80.475 16.945 17.047 1.00 0.00 H new ATOM 0 HG2 ARG A 99 78.377 17.357 18.385 1.00 0.00 H new ATOM 0 HG3 ARG A 99 77.990 15.650 18.286 1.00 0.00 H new ATOM 0 HD2 ARG A 99 80.608 16.724 19.455 1.00 0.00 H new ATOM 0 HD3 ARG A 99 79.205 16.330 20.428 1.00 0.00 H new ATOM 0 HE ARG A 99 79.607 13.970 18.962 1.00 0.00 H new ATOM 0 HH11 ARG A 99 81.546 16.132 20.903 1.00 0.00 H new ATOM 0 HH12 ARG A 99 82.634 14.858 21.464 1.00 0.00 H new ATOM 0 HH21 ARG A 99 81.002 12.335 19.677 1.00 0.00 H new ATOM 0 HH22 ARG A 99 82.329 12.727 20.776 1.00 0.00 H new ATOM 1588 N LYS A 100 77.083 18.326 15.903 1.00 0.00 N ATOM 1589 CA LYS A 100 76.635 19.749 15.908 1.00 0.00 C ATOM 1590 C LYS A 100 77.061 20.426 17.212 1.00 0.00 C ATOM 1591 O LYS A 100 77.160 19.797 18.247 1.00 0.00 O ATOM 1592 CB LYS A 100 75.110 19.803 15.799 1.00 0.00 C ATOM 1593 CG LYS A 100 74.661 19.143 14.494 1.00 0.00 C ATOM 1594 CD LYS A 100 73.136 19.205 14.397 1.00 0.00 C ATOM 1595 CE LYS A 100 72.680 18.546 13.095 1.00 0.00 C ATOM 1596 NZ LYS A 100 73.478 19.087 11.958 1.00 0.00 N ATOM 0 H LYS A 100 76.334 17.636 15.964 1.00 0.00 H new ATOM 0 HA LYS A 100 77.089 20.266 15.063 1.00 0.00 H new ATOM 0 HB2 LYS A 100 74.657 19.294 16.650 1.00 0.00 H new ATOM 0 HB3 LYS A 100 74.770 20.838 15.830 1.00 0.00 H new ATOM 0 HG2 LYS A 100 75.112 19.651 13.642 1.00 0.00 H new ATOM 0 HG3 LYS A 100 74.997 18.107 14.462 1.00 0.00 H new ATOM 0 HD2 LYS A 100 72.686 18.698 15.251 1.00 0.00 H new ATOM 0 HD3 LYS A 100 72.801 20.242 14.429 1.00 0.00 H new ATOM 0 HE2 LYS A 100 72.805 17.465 13.159 1.00 0.00 H new ATOM 0 HE3 LYS A 100 71.619 18.735 12.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 72.934 18.993 11.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 73.690 20.091 12.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 74.368 18.555 11.874 1.00 0.00 H new ATOM 1610 N LYS A 101 77.307 21.709 17.172 1.00 0.00 N ATOM 1611 CA LYS A 101 77.717 22.428 18.411 1.00 0.00 C ATOM 1612 C LYS A 101 76.508 22.562 19.341 1.00 0.00 C ATOM 1613 O LYS A 101 76.432 21.804 20.293 1.00 0.00 O ATOM 1614 CB LYS A 101 78.237 23.825 18.057 1.00 0.00 C ATOM 1615 CG LYS A 101 79.582 23.709 17.335 1.00 0.00 C ATOM 1616 CD LYS A 101 80.085 25.106 16.941 1.00 0.00 C ATOM 1617 CE LYS A 101 80.472 25.909 18.191 1.00 0.00 C ATOM 1618 NZ LYS A 101 81.400 27.009 17.805 1.00 0.00 N ATOM 1619 OXT LYS A 101 75.680 23.420 19.082 1.00 0.00 O ATOM 0 H LYS A 101 77.241 22.288 16.335 1.00 0.00 H new ATOM 0 HA LYS A 101 78.507 21.865 18.907 1.00 0.00 H new ATOM 0 HB2 LYS A 101 77.517 24.341 17.423 1.00 0.00 H new ATOM 0 HB3 LYS A 101 78.350 24.421 18.962 1.00 0.00 H new ATOM 0 HG2 LYS A 101 80.311 23.219 17.981 1.00 0.00 H new ATOM 0 HG3 LYS A 101 79.475 23.087 16.446 1.00 0.00 H new ATOM 0 HD2 LYS A 101 80.946 25.016 16.278 1.00 0.00 H new ATOM 0 HD3 LYS A 101 79.310 25.635 16.387 1.00 0.00 H new ATOM 0 HE2 LYS A 101 79.580 26.320 18.663 1.00 0.00 H new ATOM 0 HE3 LYS A 101 80.948 25.257 18.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 81.663 27.554 18.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 82.256 26.606 17.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 80.930 27.636 17.122 1.00 0.00 H new TER 1633 LYS A 101 ATOM 1634 N MET B 1 102.150 -1.390 -7.192 1.00 0.00 N ATOM 1635 CA MET B 1 102.295 -0.366 -8.264 1.00 0.00 C ATOM 1636 C MET B 1 100.918 -0.048 -8.851 1.00 0.00 C ATOM 1637 O MET B 1 100.336 0.981 -8.565 1.00 0.00 O ATOM 1638 CB MET B 1 103.214 -0.903 -9.363 1.00 0.00 C ATOM 1639 CG MET B 1 104.641 -1.013 -8.821 1.00 0.00 C ATOM 1640 SD MET B 1 105.741 -1.616 -10.127 1.00 0.00 S ATOM 1641 CE MET B 1 107.243 -1.725 -9.123 1.00 0.00 C ATOM 0 H1 MET B 1 103.014 -1.412 -6.614 1.00 0.00 H new ATOM 0 H2 MET B 1 101.337 -1.149 -6.590 1.00 0.00 H new ATOM 0 H3 MET B 1 101.997 -2.324 -7.623 1.00 0.00 H new ATOM 0 HA MET B 1 102.729 0.542 -7.846 1.00 0.00 H new ATOM 0 HB2 MET B 1 102.865 -1.879 -9.700 1.00 0.00 H new ATOM 0 HB3 MET B 1 103.191 -0.240 -10.228 1.00 0.00 H new ATOM 0 HG2 MET B 1 104.982 -0.041 -8.465 1.00 0.00 H new ATOM 0 HG3 MET B 1 104.666 -1.692 -7.968 1.00 0.00 H new ATOM 0 HE1 MET B 1 108.067 -2.084 -9.739 1.00 0.00 H new ATOM 0 HE2 MET B 1 107.488 -0.740 -8.727 1.00 0.00 H new ATOM 0 HE3 MET B 1 107.079 -2.417 -8.297 1.00 0.00 H new ATOM 1653 N ALA B 2 100.386 -0.920 -9.665 1.00 0.00 N ATOM 1654 CA ALA B 2 99.043 -0.657 -10.257 1.00 0.00 C ATOM 1655 C ALA B 2 97.991 -0.681 -9.147 1.00 0.00 C ATOM 1656 O ALA B 2 98.026 -1.519 -8.268 1.00 0.00 O ATOM 1657 CB ALA B 2 98.717 -1.735 -11.292 1.00 0.00 C ATOM 0 H ALA B 2 100.821 -1.799 -9.945 1.00 0.00 H new ATOM 0 HA ALA B 2 99.043 0.319 -10.742 1.00 0.00 H new ATOM 0 HB1 ALA B 2 97.735 -1.540 -11.723 1.00 0.00 H new ATOM 0 HB2 ALA B 2 99.469 -1.721 -12.081 1.00 0.00 H new ATOM 0 HB3 ALA B 2 98.715 -2.713 -10.810 1.00 0.00 H new ATOM 1663 N CYS B 3 97.055 0.234 -9.177 1.00 0.00 N ATOM 1664 CA CYS B 3 95.996 0.270 -8.120 1.00 0.00 C ATOM 1665 C CYS B 3 94.645 0.635 -8.755 1.00 0.00 C ATOM 1666 O CYS B 3 94.141 1.723 -8.559 1.00 0.00 O ATOM 1667 CB CYS B 3 96.375 1.319 -7.068 1.00 0.00 C ATOM 1668 SG CYS B 3 97.128 2.747 -7.886 1.00 0.00 S ATOM 0 H CYS B 3 96.978 0.960 -9.889 1.00 0.00 H new ATOM 0 HA CYS B 3 95.914 -0.709 -7.648 1.00 0.00 H new ATOM 0 HB2 CYS B 3 95.490 1.629 -6.513 1.00 0.00 H new ATOM 0 HB3 CYS B 3 97.071 0.891 -6.346 1.00 0.00 H new ATOM 0 HG CYS B 3 96.505 3.830 -7.528 1.00 0.00 H new ATOM 1674 N PRO B 4 94.059 -0.267 -9.509 1.00 0.00 N ATOM 1675 CA PRO B 4 92.745 0.006 -10.158 1.00 0.00 C ATOM 1676 C PRO B 4 91.642 0.288 -9.130 1.00 0.00 C ATOM 1677 O PRO B 4 90.674 0.968 -9.412 1.00 0.00 O ATOM 1678 CB PRO B 4 92.478 -1.297 -10.941 1.00 0.00 C ATOM 1679 CG PRO B 4 93.741 -2.178 -10.859 1.00 0.00 C ATOM 1680 CD PRO B 4 94.659 -1.605 -9.765 1.00 0.00 C ATOM 0 HA PRO B 4 92.756 0.895 -10.789 1.00 0.00 H new ATOM 0 HB2 PRO B 4 91.620 -1.823 -10.522 1.00 0.00 H new ATOM 0 HB3 PRO B 4 92.238 -1.073 -11.980 1.00 0.00 H new ATOM 0 HG2 PRO B 4 93.471 -3.208 -10.627 1.00 0.00 H new ATOM 0 HG3 PRO B 4 94.257 -2.192 -11.819 1.00 0.00 H new ATOM 0 HD2 PRO B 4 94.661 -2.227 -8.870 1.00 0.00 H new ATOM 0 HD3 PRO B 4 95.693 -1.528 -10.102 1.00 0.00 H new ATOM 1688 N LEU B 5 91.785 -0.223 -7.940 1.00 0.00 N ATOM 1689 CA LEU B 5 90.754 0.026 -6.898 1.00 0.00 C ATOM 1690 C LEU B 5 90.660 1.531 -6.668 1.00 0.00 C ATOM 1691 O LEU B 5 89.611 2.064 -6.370 1.00 0.00 O ATOM 1692 CB LEU B 5 91.153 -0.675 -5.592 1.00 0.00 C ATOM 1693 CG LEU B 5 90.094 -0.428 -4.503 1.00 0.00 C ATOM 1694 CD1 LEU B 5 88.761 -1.085 -4.897 1.00 0.00 C ATOM 1695 CD2 LEU B 5 90.586 -1.026 -3.181 1.00 0.00 C ATOM 0 H LEU B 5 92.571 -0.802 -7.645 1.00 0.00 H new ATOM 0 HA LEU B 5 89.790 -0.366 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU B 5 91.262 -1.746 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU B 5 92.122 -0.306 -5.256 1.00 0.00 H new ATOM 0 HG LEU B 5 89.938 0.645 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU B 5 88.021 -0.902 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU B 5 88.410 -0.660 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU B 5 88.906 -2.159 -5.015 1.00 0.00 H new ATOM 0 HD21 LEU B 5 89.841 -0.855 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU B 5 90.744 -2.098 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU B 5 91.524 -0.552 -2.894 1.00 0.00 H new ATOM 1707 N GLU B 6 91.761 2.213 -6.789 1.00 0.00 N ATOM 1708 CA GLU B 6 91.764 3.681 -6.564 1.00 0.00 C ATOM 1709 C GLU B 6 90.807 4.354 -7.552 1.00 0.00 C ATOM 1710 O GLU B 6 90.054 5.237 -7.191 1.00 0.00 O ATOM 1711 CB GLU B 6 93.182 4.204 -6.796 1.00 0.00 C ATOM 1712 CG GLU B 6 93.260 5.681 -6.405 1.00 0.00 C ATOM 1713 CD GLU B 6 94.681 6.196 -6.640 1.00 0.00 C ATOM 1714 OE1 GLU B 6 95.539 5.385 -6.949 1.00 0.00 O ATOM 1715 OE2 GLU B 6 94.887 7.390 -6.510 1.00 0.00 O ATOM 0 H GLU B 6 92.666 1.813 -7.036 1.00 0.00 H new ATOM 0 HA GLU B 6 91.442 3.903 -5.547 1.00 0.00 H new ATOM 0 HB2 GLU B 6 93.894 3.625 -6.208 1.00 0.00 H new ATOM 0 HB3 GLU B 6 93.458 4.080 -7.843 1.00 0.00 H new ATOM 0 HG2 GLU B 6 92.549 6.262 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU B 6 92.985 5.806 -5.358 1.00 0.00 H new ATOM 1722 N LYS B 7 90.810 3.939 -8.789 1.00 0.00 N ATOM 1723 CA LYS B 7 89.880 4.560 -9.770 1.00 0.00 C ATOM 1724 C LYS B 7 88.472 4.105 -9.434 1.00 0.00 C ATOM 1725 O LYS B 7 87.553 4.890 -9.350 1.00 0.00 O ATOM 1726 CB LYS B 7 90.234 4.112 -11.192 1.00 0.00 C ATOM 1727 CG LYS B 7 91.719 4.354 -11.435 1.00 0.00 C ATOM 1728 CD LYS B 7 92.038 4.220 -12.930 1.00 0.00 C ATOM 1729 CE LYS B 7 91.720 2.800 -13.417 1.00 0.00 C ATOM 1730 NZ LYS B 7 90.265 2.696 -13.723 1.00 0.00 N ATOM 0 H LYS B 7 91.411 3.203 -9.159 1.00 0.00 H new ATOM 0 HA LYS B 7 89.957 5.646 -9.719 1.00 0.00 H new ATOM 0 HB2 LYS B 7 89.999 3.056 -11.323 1.00 0.00 H new ATOM 0 HB3 LYS B 7 89.639 4.664 -11.919 1.00 0.00 H new ATOM 0 HG2 LYS B 7 91.995 5.348 -11.084 1.00 0.00 H new ATOM 0 HG3 LYS B 7 92.310 3.638 -10.864 1.00 0.00 H new ATOM 0 HD2 LYS B 7 91.457 4.946 -13.499 1.00 0.00 H new ATOM 0 HD3 LYS B 7 93.090 4.445 -13.106 1.00 0.00 H new ATOM 0 HE2 LYS B 7 92.307 2.568 -14.306 1.00 0.00 H new ATOM 0 HE3 LYS B 7 91.995 2.072 -12.654 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 89.801 2.104 -13.005 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 89.840 3.645 -13.716 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 90.137 2.266 -14.661 1.00 0.00 H new ATOM 1744 N ALA B 8 88.304 2.837 -9.211 1.00 0.00 N ATOM 1745 CA ALA B 8 86.954 2.343 -8.851 1.00 0.00 C ATOM 1746 C ALA B 8 86.545 3.051 -7.568 1.00 0.00 C ATOM 1747 O ALA B 8 85.428 3.497 -7.414 1.00 0.00 O ATOM 1748 CB ALA B 8 86.975 0.834 -8.646 1.00 0.00 C ATOM 0 H ALA B 8 89.035 2.128 -9.262 1.00 0.00 H new ATOM 0 HA ALA B 8 86.242 2.552 -9.649 1.00 0.00 H new ATOM 0 HB1 ALA B 8 85.975 0.489 -8.382 1.00 0.00 H new ATOM 0 HB2 ALA B 8 87.296 0.346 -9.566 1.00 0.00 H new ATOM 0 HB3 ALA B 8 87.668 0.586 -7.843 1.00 0.00 H new ATOM 1754 N LEU B 9 87.468 3.215 -6.664 1.00 0.00 N ATOM 1755 CA LEU B 9 87.146 3.960 -5.424 1.00 0.00 C ATOM 1756 C LEU B 9 86.726 5.354 -5.865 1.00 0.00 C ATOM 1757 O LEU B 9 85.782 5.927 -5.357 1.00 0.00 O ATOM 1758 CB LEU B 9 88.379 4.026 -4.513 1.00 0.00 C ATOM 1759 CG LEU B 9 88.053 4.811 -3.233 1.00 0.00 C ATOM 1760 CD1 LEU B 9 86.909 4.131 -2.461 1.00 0.00 C ATOM 1761 CD2 LEU B 9 89.307 4.872 -2.351 1.00 0.00 C ATOM 0 H LEU B 9 88.424 2.867 -6.732 1.00 0.00 H new ATOM 0 HA LEU B 9 86.353 3.474 -4.856 1.00 0.00 H new ATOM 0 HB2 LEU B 9 88.705 3.018 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU B 9 89.205 4.504 -5.041 1.00 0.00 H new ATOM 0 HG LEU B 9 87.737 5.819 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU B 9 86.691 4.700 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU B 9 86.019 4.092 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU B 9 87.205 3.118 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU B 9 89.084 5.428 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU B 9 89.619 3.860 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU B 9 90.110 5.371 -2.894 1.00 0.00 H new ATOM 1773 N ASP B 10 87.410 5.891 -6.843 1.00 0.00 N ATOM 1774 CA ASP B 10 87.033 7.233 -7.356 1.00 0.00 C ATOM 1775 C ASP B 10 85.691 7.119 -8.082 1.00 0.00 C ATOM 1776 O ASP B 10 84.887 8.026 -8.053 1.00 0.00 O ATOM 1777 CB ASP B 10 88.104 7.751 -8.318 1.00 0.00 C ATOM 1778 CG ASP B 10 87.788 9.201 -8.693 1.00 0.00 C ATOM 1779 OD1 ASP B 10 86.712 9.659 -8.342 1.00 0.00 O ATOM 1780 OD2 ASP B 10 88.626 9.827 -9.319 1.00 0.00 O ATOM 0 H ASP B 10 88.209 5.457 -7.304 1.00 0.00 H new ATOM 0 HA ASP B 10 86.949 7.934 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP B 10 89.088 7.690 -7.852 1.00 0.00 H new ATOM 0 HB3 ASP B 10 88.136 7.130 -9.213 1.00 0.00 H new ATOM 1785 N VAL B 11 85.432 6.009 -8.732 1.00 0.00 N ATOM 1786 CA VAL B 11 84.127 5.870 -9.445 1.00 0.00 C ATOM 1787 C VAL B 11 82.995 6.002 -8.422 1.00 0.00 C ATOM 1788 O VAL B 11 81.994 6.644 -8.668 1.00 0.00 O ATOM 1789 CB VAL B 11 84.044 4.496 -10.132 1.00 0.00 C ATOM 1790 CG1 VAL B 11 82.621 4.252 -10.652 1.00 0.00 C ATOM 1791 CG2 VAL B 11 85.036 4.442 -11.305 1.00 0.00 C ATOM 0 H VAL B 11 86.058 5.206 -8.798 1.00 0.00 H new ATOM 0 HA VAL B 11 84.039 6.646 -10.205 1.00 0.00 H new ATOM 0 HB VAL B 11 84.296 3.722 -9.407 1.00 0.00 H new ATOM 0 HG11 VAL B 11 82.573 3.277 -11.137 1.00 0.00 H new ATOM 0 HG12 VAL B 11 81.919 4.278 -9.818 1.00 0.00 H new ATOM 0 HG13 VAL B 11 82.358 5.028 -11.371 1.00 0.00 H new ATOM 0 HG21 VAL B 11 84.974 3.467 -11.789 1.00 0.00 H new ATOM 0 HG22 VAL B 11 84.790 5.221 -12.026 1.00 0.00 H new ATOM 0 HG23 VAL B 11 86.048 4.599 -10.933 1.00 0.00 H new ATOM 1801 N MET B 12 83.155 5.412 -7.266 1.00 0.00 N ATOM 1802 CA MET B 12 82.097 5.523 -6.220 1.00 0.00 C ATOM 1803 C MET B 12 81.915 7.000 -5.875 1.00 0.00 C ATOM 1804 O MET B 12 80.819 7.488 -5.706 1.00 0.00 O ATOM 1805 CB MET B 12 82.541 4.769 -4.964 1.00 0.00 C ATOM 1806 CG MET B 12 81.384 4.699 -3.959 1.00 0.00 C ATOM 1807 SD MET B 12 82.044 4.403 -2.300 1.00 0.00 S ATOM 1808 CE MET B 12 83.132 3.027 -2.732 1.00 0.00 C ATOM 0 H MET B 12 83.971 4.860 -7.002 1.00 0.00 H new ATOM 0 HA MET B 12 81.162 5.098 -6.587 1.00 0.00 H new ATOM 0 HB2 MET B 12 82.865 3.763 -5.229 1.00 0.00 H new ATOM 0 HB3 MET B 12 83.397 5.270 -4.512 1.00 0.00 H new ATOM 0 HG2 MET B 12 80.817 5.630 -3.976 1.00 0.00 H new ATOM 0 HG3 MET B 12 80.695 3.901 -4.236 1.00 0.00 H new ATOM 0 HE1 MET B 12 83.429 2.499 -1.826 1.00 0.00 H new ATOM 0 HE2 MET B 12 82.605 2.341 -3.395 1.00 0.00 H new ATOM 0 HE3 MET B 12 84.020 3.409 -3.236 1.00 0.00 H new ATOM 1818 N VAL B 13 82.997 7.706 -5.749 1.00 0.00 N ATOM 1819 CA VAL B 13 82.912 9.152 -5.404 1.00 0.00 C ATOM 1820 C VAL B 13 82.544 9.976 -6.646 1.00 0.00 C ATOM 1821 O VAL B 13 81.725 10.870 -6.584 1.00 0.00 O ATOM 1822 CB VAL B 13 84.262 9.602 -4.850 1.00 0.00 C ATOM 1823 CG1 VAL B 13 84.211 11.087 -4.485 1.00 0.00 C ATOM 1824 CG2 VAL B 13 84.581 8.770 -3.603 1.00 0.00 C ATOM 0 H VAL B 13 83.943 7.345 -5.870 1.00 0.00 H new ATOM 0 HA VAL B 13 82.136 9.307 -4.654 1.00 0.00 H new ATOM 0 HB VAL B 13 85.037 9.457 -5.603 1.00 0.00 H new ATOM 0 HG11 VAL B 13 85.178 11.398 -4.091 1.00 0.00 H new ATOM 0 HG12 VAL B 13 83.976 11.672 -5.374 1.00 0.00 H new ATOM 0 HG13 VAL B 13 83.442 11.250 -3.730 1.00 0.00 H new ATOM 0 HG21 VAL B 13 85.543 9.080 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL B 13 83.803 8.923 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL B 13 84.624 7.714 -3.871 1.00 0.00 H new ATOM 1834 N SER B 14 83.146 9.694 -7.771 1.00 0.00 N ATOM 1835 CA SER B 14 82.820 10.479 -9.001 1.00 0.00 C ATOM 1836 C SER B 14 81.336 10.326 -9.339 1.00 0.00 C ATOM 1837 O SER B 14 80.655 11.288 -9.630 1.00 0.00 O ATOM 1838 CB SER B 14 83.659 9.970 -10.173 1.00 0.00 C ATOM 1839 OG SER B 14 85.033 10.206 -9.905 1.00 0.00 O ATOM 0 H SER B 14 83.844 8.960 -7.893 1.00 0.00 H new ATOM 0 HA SER B 14 83.043 11.530 -8.820 1.00 0.00 H new ATOM 0 HB2 SER B 14 83.484 8.905 -10.325 1.00 0.00 H new ATOM 0 HB3 SER B 14 83.364 10.475 -11.093 1.00 0.00 H new ATOM 0 HG SER B 14 85.373 9.511 -9.303 1.00 0.00 H new ATOM 1845 N THR B 15 80.822 9.125 -9.293 1.00 0.00 N ATOM 1846 CA THR B 15 79.378 8.929 -9.604 1.00 0.00 C ATOM 1847 C THR B 15 78.552 9.713 -8.579 1.00 0.00 C ATOM 1848 O THR B 15 77.563 10.338 -8.900 1.00 0.00 O ATOM 1849 CB THR B 15 79.049 7.423 -9.571 1.00 0.00 C ATOM 1850 OG1 THR B 15 77.970 7.157 -10.455 1.00 0.00 O ATOM 1851 CG2 THR B 15 78.675 6.958 -8.158 1.00 0.00 C ATOM 0 H THR B 15 81.337 8.277 -9.055 1.00 0.00 H new ATOM 0 HA THR B 15 79.138 9.299 -10.601 1.00 0.00 H new ATOM 0 HB THR B 15 79.938 6.876 -9.883 1.00 0.00 H new ATOM 0 HG1 THR B 15 77.225 6.764 -9.953 1.00 0.00 H new ATOM 0 HG21 THR B 15 78.450 5.892 -8.174 1.00 0.00 H new ATOM 0 HG22 THR B 15 79.509 7.143 -7.481 1.00 0.00 H new ATOM 0 HG23 THR B 15 77.800 7.509 -7.813 1.00 0.00 H new ATOM 1859 N PHE B 16 78.978 9.685 -7.348 1.00 0.00 N ATOM 1860 CA PHE B 16 78.261 10.422 -6.269 1.00 0.00 C ATOM 1861 C PHE B 16 78.244 11.913 -6.615 1.00 0.00 C ATOM 1862 O PHE B 16 77.262 12.600 -6.417 1.00 0.00 O ATOM 1863 CB PHE B 16 79.018 10.212 -4.952 1.00 0.00 C ATOM 1864 CG PHE B 16 78.257 10.820 -3.795 1.00 0.00 C ATOM 1865 CD1 PHE B 16 78.359 12.190 -3.525 1.00 0.00 C ATOM 1866 CD2 PHE B 16 77.462 10.004 -2.979 1.00 0.00 C ATOM 1867 CE1 PHE B 16 77.663 12.743 -2.441 1.00 0.00 C ATOM 1868 CE2 PHE B 16 76.771 10.556 -1.896 1.00 0.00 C ATOM 1869 CZ PHE B 16 76.870 11.926 -1.627 1.00 0.00 C ATOM 0 H PHE B 16 79.805 9.175 -7.038 1.00 0.00 H new ATOM 0 HA PHE B 16 77.238 10.058 -6.172 1.00 0.00 H new ATOM 0 HB2 PHE B 16 79.165 9.146 -4.777 1.00 0.00 H new ATOM 0 HB3 PHE B 16 80.008 10.663 -5.020 1.00 0.00 H new ATOM 0 HD1 PHE B 16 78.973 12.820 -4.151 1.00 0.00 H new ATOM 0 HD2 PHE B 16 77.383 8.947 -3.187 1.00 0.00 H new ATOM 0 HE1 PHE B 16 77.739 13.800 -2.234 1.00 0.00 H new ATOM 0 HE2 PHE B 16 76.161 9.925 -1.267 1.00 0.00 H new ATOM 0 HZ PHE B 16 76.335 12.353 -0.792 1.00 0.00 H new ATOM 1879 N HIS B 17 79.333 12.414 -7.133 1.00 0.00 N ATOM 1880 CA HIS B 17 79.402 13.857 -7.499 1.00 0.00 C ATOM 1881 C HIS B 17 78.434 14.152 -8.642 1.00 0.00 C ATOM 1882 O HIS B 17 77.898 15.238 -8.741 1.00 0.00 O ATOM 1883 CB HIS B 17 80.824 14.227 -7.926 1.00 0.00 C ATOM 1884 CG HIS B 17 80.852 15.673 -8.345 1.00 0.00 C ATOM 1885 ND1 HIS B 17 80.764 16.060 -9.675 1.00 0.00 N ATOM 1886 CD2 HIS B 17 80.938 16.837 -7.620 1.00 0.00 C ATOM 1887 CE1 HIS B 17 80.797 17.405 -9.710 1.00 0.00 C ATOM 1888 NE2 HIS B 17 80.902 17.925 -8.485 1.00 0.00 N ATOM 0 H HIS B 17 80.183 11.882 -7.319 1.00 0.00 H new ATOM 0 HA HIS B 17 79.125 14.451 -6.628 1.00 0.00 H new ATOM 0 HB2 HIS B 17 81.519 14.060 -7.103 1.00 0.00 H new ATOM 0 HB3 HIS B 17 81.147 13.590 -8.750 1.00 0.00 H new ATOM 0 HD2 HIS B 17 81.021 16.897 -6.545 1.00 0.00 H new ATOM 0 HE1 HIS B 17 80.745 17.991 -10.616 1.00 0.00 H new ATOM 0 HE2 HIS B 17 80.946 18.913 -8.236 1.00 0.00 H new ATOM 1897 N LYS B 18 78.196 13.207 -9.511 1.00 0.00 N ATOM 1898 CA LYS B 18 77.255 13.482 -10.628 1.00 0.00 C ATOM 1899 C LYS B 18 75.917 13.857 -10.005 1.00 0.00 C ATOM 1900 O LYS B 18 75.261 14.791 -10.423 1.00 0.00 O ATOM 1901 CB LYS B 18 77.100 12.226 -11.493 1.00 0.00 C ATOM 1902 CG LYS B 18 76.155 12.513 -12.667 1.00 0.00 C ATOM 1903 CD LYS B 18 75.893 11.220 -13.447 1.00 0.00 C ATOM 1904 CE LYS B 18 77.195 10.707 -14.072 1.00 0.00 C ATOM 1905 NZ LYS B 18 76.870 9.812 -15.219 1.00 0.00 N ATOM 0 H LYS B 18 78.605 12.273 -9.496 1.00 0.00 H new ATOM 0 HA LYS B 18 77.624 14.288 -11.262 1.00 0.00 H new ATOM 0 HB2 LYS B 18 78.073 11.910 -11.868 1.00 0.00 H new ATOM 0 HB3 LYS B 18 76.708 11.406 -10.892 1.00 0.00 H new ATOM 0 HG2 LYS B 18 75.215 12.923 -12.298 1.00 0.00 H new ATOM 0 HG3 LYS B 18 76.594 13.263 -13.325 1.00 0.00 H new ATOM 0 HD2 LYS B 18 75.477 10.463 -12.782 1.00 0.00 H new ATOM 0 HD3 LYS B 18 75.153 11.400 -14.227 1.00 0.00 H new ATOM 0 HE2 LYS B 18 77.804 11.545 -14.411 1.00 0.00 H new ATOM 0 HE3 LYS B 18 77.781 10.167 -13.328 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 77.751 9.461 -15.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 76.304 9.007 -14.882 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 76.327 10.342 -15.930 1.00 0.00 H new ATOM 1919 N TYR B 19 75.531 13.166 -8.970 1.00 0.00 N ATOM 1920 CA TYR B 19 74.264 13.519 -8.278 1.00 0.00 C ATOM 1921 C TYR B 19 74.527 14.767 -7.449 1.00 0.00 C ATOM 1922 O TYR B 19 73.672 15.609 -7.276 1.00 0.00 O ATOM 1923 CB TYR B 19 73.827 12.375 -7.358 1.00 0.00 C ATOM 1924 CG TYR B 19 73.491 11.153 -8.181 1.00 0.00 C ATOM 1925 CD1 TYR B 19 72.216 11.012 -8.741 1.00 0.00 C ATOM 1926 CD2 TYR B 19 74.455 10.160 -8.378 1.00 0.00 C ATOM 1927 CE1 TYR B 19 71.907 9.876 -9.500 1.00 0.00 C ATOM 1928 CE2 TYR B 19 74.148 9.024 -9.138 1.00 0.00 C ATOM 1929 CZ TYR B 19 72.873 8.883 -9.699 1.00 0.00 C ATOM 1930 OH TYR B 19 72.569 7.763 -10.446 1.00 0.00 O ATOM 0 H TYR B 19 76.038 12.374 -8.575 1.00 0.00 H new ATOM 0 HA TYR B 19 73.472 13.695 -9.006 1.00 0.00 H new ATOM 0 HB2 TYR B 19 74.623 12.141 -6.651 1.00 0.00 H new ATOM 0 HB3 TYR B 19 72.960 12.679 -6.772 1.00 0.00 H new ATOM 0 HD1 TYR B 19 71.471 11.779 -8.588 1.00 0.00 H new ATOM 0 HD2 TYR B 19 75.438 10.269 -7.944 1.00 0.00 H new ATOM 0 HE1 TYR B 19 70.923 9.766 -9.932 1.00 0.00 H new ATOM 0 HE2 TYR B 19 74.894 8.258 -9.291 1.00 0.00 H new ATOM 0 HH TYR B 19 73.352 7.174 -10.486 1.00 0.00 H new ATOM 1940 N SER B 20 75.714 14.883 -6.913 1.00 0.00 N ATOM 1941 CA SER B 20 76.043 16.065 -6.071 1.00 0.00 C ATOM 1942 C SER B 20 74.935 16.245 -5.039 1.00 0.00 C ATOM 1943 O SER B 20 74.833 17.265 -4.388 1.00 0.00 O ATOM 1944 CB SER B 20 76.128 17.314 -6.945 1.00 0.00 C ATOM 1945 OG SER B 20 76.449 18.434 -6.130 1.00 0.00 O ATOM 0 H SER B 20 76.470 14.207 -7.024 1.00 0.00 H new ATOM 0 HA SER B 20 77.002 15.913 -5.575 1.00 0.00 H new ATOM 0 HB2 SER B 20 76.886 17.181 -7.717 1.00 0.00 H new ATOM 0 HB3 SER B 20 75.179 17.480 -7.455 1.00 0.00 H new ATOM 0 HG SER B 20 75.941 18.386 -5.293 1.00 0.00 H new ATOM 1951 N GLY B 21 74.092 15.257 -4.902 1.00 0.00 N ATOM 1952 CA GLY B 21 72.967 15.355 -3.928 1.00 0.00 C ATOM 1953 C GLY B 21 71.999 16.441 -4.396 1.00 0.00 C ATOM 1954 O GLY B 21 71.914 17.509 -3.824 1.00 0.00 O ATOM 0 H GLY B 21 74.135 14.382 -5.425 1.00 0.00 H new ATOM 0 HA2 GLY B 21 72.451 14.398 -3.851 1.00 0.00 H new ATOM 0 HA3 GLY B 21 73.348 15.593 -2.935 1.00 0.00 H new ATOM 1958 N LYS B 22 71.278 16.171 -5.447 1.00 0.00 N ATOM 1959 CA LYS B 22 70.318 17.171 -5.986 1.00 0.00 C ATOM 1960 C LYS B 22 69.275 17.518 -4.922 1.00 0.00 C ATOM 1961 O LYS B 22 68.889 18.661 -4.772 1.00 0.00 O ATOM 1962 CB LYS B 22 69.635 16.572 -7.216 1.00 0.00 C ATOM 1963 CG LYS B 22 70.709 16.267 -8.263 1.00 0.00 C ATOM 1964 CD LYS B 22 70.083 15.662 -9.525 1.00 0.00 C ATOM 1965 CE LYS B 22 69.505 14.274 -9.223 1.00 0.00 C ATOM 1966 NZ LYS B 22 69.357 13.519 -10.498 1.00 0.00 N ATOM 0 H LYS B 22 71.314 15.290 -5.961 1.00 0.00 H new ATOM 0 HA LYS B 22 70.845 18.084 -6.263 1.00 0.00 H new ATOM 0 HB2 LYS B 22 69.098 15.662 -6.947 1.00 0.00 H new ATOM 0 HB3 LYS B 22 68.900 17.269 -7.619 1.00 0.00 H new ATOM 0 HG2 LYS B 22 71.243 17.182 -8.519 1.00 0.00 H new ATOM 0 HG3 LYS B 22 71.442 15.575 -7.848 1.00 0.00 H new ATOM 0 HD2 LYS B 22 69.296 16.317 -9.898 1.00 0.00 H new ATOM 0 HD3 LYS B 22 70.834 15.587 -10.311 1.00 0.00 H new ATOM 0 HE2 LYS B 22 70.161 13.734 -8.540 1.00 0.00 H new ATOM 0 HE3 LYS B 22 68.539 14.369 -8.728 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 68.965 12.576 -10.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 68.715 14.034 -11.134 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 70.287 13.419 -10.952 1.00 0.00 H new ATOM 1980 N GLU B 23 68.816 16.539 -4.182 1.00 0.00 N ATOM 1981 CA GLU B 23 67.794 16.793 -3.116 1.00 0.00 C ATOM 1982 C GLU B 23 68.446 16.637 -1.739 1.00 0.00 C ATOM 1983 O GLU B 23 69.137 15.674 -1.471 1.00 0.00 O ATOM 1984 CB GLU B 23 66.648 15.784 -3.259 1.00 0.00 C ATOM 1985 CG GLU B 23 67.214 14.373 -3.443 1.00 0.00 C ATOM 1986 CD GLU B 23 66.065 13.383 -3.640 1.00 0.00 C ATOM 1987 OE1 GLU B 23 65.117 13.446 -2.874 1.00 0.00 O ATOM 1988 OE2 GLU B 23 66.151 12.580 -4.555 1.00 0.00 O ATOM 0 H GLU B 23 69.108 15.566 -4.271 1.00 0.00 H new ATOM 0 HA GLU B 23 67.402 17.805 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU B 23 66.011 15.817 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU B 23 66.024 16.049 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU B 23 67.882 14.347 -4.304 1.00 0.00 H new ATOM 0 HG3 GLU B 23 67.806 14.091 -2.572 1.00 0.00 H new ATOM 1995 N GLY B 24 68.228 17.581 -0.861 1.00 0.00 N ATOM 1996 CA GLY B 24 68.830 17.497 0.503 1.00 0.00 C ATOM 1997 C GLY B 24 70.262 18.039 0.471 1.00 0.00 C ATOM 1998 O GLY B 24 70.656 18.726 -0.451 1.00 0.00 O ATOM 0 H GLY B 24 67.657 18.409 -1.030 1.00 0.00 H new ATOM 0 HA2 GLY B 24 68.230 18.069 1.211 1.00 0.00 H new ATOM 0 HA3 GLY B 24 68.830 16.463 0.848 1.00 0.00 H new ATOM 2002 N ASP B 25 71.047 17.731 1.471 1.00 0.00 N ATOM 2003 CA ASP B 25 72.453 18.226 1.495 1.00 0.00 C ATOM 2004 C ASP B 25 73.195 17.706 0.272 1.00 0.00 C ATOM 2005 O ASP B 25 73.028 16.574 -0.140 1.00 0.00 O ATOM 2006 CB ASP B 25 73.149 17.741 2.767 1.00 0.00 C ATOM 2007 CG ASP B 25 72.563 18.469 3.979 1.00 0.00 C ATOM 2008 OD1 ASP B 25 71.976 19.520 3.784 1.00 0.00 O ATOM 2009 OD2 ASP B 25 72.715 17.965 5.079 1.00 0.00 O ATOM 0 H ASP B 25 70.774 17.159 2.270 1.00 0.00 H new ATOM 0 HA ASP B 25 72.453 19.316 1.481 1.00 0.00 H new ATOM 0 HB2 ASP B 25 73.018 16.665 2.878 1.00 0.00 H new ATOM 0 HB3 ASP B 25 74.221 17.927 2.701 1.00 0.00 H new ATOM 2014 N LYS B 26 74.010 18.531 -0.317 1.00 0.00 N ATOM 2015 CA LYS B 26 74.764 18.097 -1.518 1.00 0.00 C ATOM 2016 C LYS B 26 75.803 17.062 -1.101 1.00 0.00 C ATOM 2017 O LYS B 26 76.347 16.344 -1.917 1.00 0.00 O ATOM 2018 CB LYS B 26 75.462 19.307 -2.152 1.00 0.00 C ATOM 2019 CG LYS B 26 74.452 20.131 -2.959 1.00 0.00 C ATOM 2020 CD LYS B 26 73.422 20.763 -2.018 1.00 0.00 C ATOM 2021 CE LYS B 26 72.690 21.895 -2.743 1.00 0.00 C ATOM 2022 NZ LYS B 26 71.633 22.454 -1.853 1.00 0.00 N ATOM 0 H LYS B 26 74.186 19.490 -0.017 1.00 0.00 H new ATOM 0 HA LYS B 26 74.081 17.659 -2.246 1.00 0.00 H new ATOM 0 HB2 LYS B 26 75.911 19.926 -1.376 1.00 0.00 H new ATOM 0 HB3 LYS B 26 76.271 18.972 -2.801 1.00 0.00 H new ATOM 0 HG2 LYS B 26 74.970 20.909 -3.520 1.00 0.00 H new ATOM 0 HG3 LYS B 26 73.949 19.494 -3.687 1.00 0.00 H new ATOM 0 HD2 LYS B 26 72.708 20.009 -1.685 1.00 0.00 H new ATOM 0 HD3 LYS B 26 73.917 21.149 -1.127 1.00 0.00 H new ATOM 0 HE2 LYS B 26 73.395 22.677 -3.024 1.00 0.00 H new ATOM 0 HE3 LYS B 26 72.244 21.522 -3.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 71.136 23.223 -2.345 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 70.955 21.705 -1.607 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 72.070 22.824 -0.985 1.00 0.00 H new ATOM 2036 N PHE B 27 76.083 16.981 0.169 1.00 0.00 N ATOM 2037 CA PHE B 27 77.094 15.990 0.652 1.00 0.00 C ATOM 2038 C PHE B 27 76.396 14.674 0.999 1.00 0.00 C ATOM 2039 O PHE B 27 77.027 13.715 1.399 1.00 0.00 O ATOM 2040 CB PHE B 27 77.777 16.536 1.906 1.00 0.00 C ATOM 2041 CG PHE B 27 78.495 17.823 1.581 1.00 0.00 C ATOM 2042 CD1 PHE B 27 77.826 19.046 1.703 1.00 0.00 C ATOM 2043 CD2 PHE B 27 79.832 17.794 1.168 1.00 0.00 C ATOM 2044 CE1 PHE B 27 78.494 20.241 1.411 1.00 0.00 C ATOM 2045 CE2 PHE B 27 80.499 18.989 0.874 1.00 0.00 C ATOM 2046 CZ PHE B 27 79.831 20.212 0.996 1.00 0.00 C ATOM 0 H PHE B 27 75.658 17.556 0.896 1.00 0.00 H new ATOM 0 HA PHE B 27 77.834 15.818 -0.130 1.00 0.00 H new ATOM 0 HB2 PHE B 27 77.037 16.710 2.687 1.00 0.00 H new ATOM 0 HB3 PHE B 27 78.484 15.803 2.294 1.00 0.00 H new ATOM 0 HD1 PHE B 27 76.795 19.068 2.022 1.00 0.00 H new ATOM 0 HD2 PHE B 27 80.349 16.850 1.076 1.00 0.00 H new ATOM 0 HE1 PHE B 27 77.978 21.185 1.506 1.00 0.00 H new ATOM 0 HE2 PHE B 27 81.530 18.967 0.553 1.00 0.00 H new ATOM 0 HZ PHE B 27 80.346 21.134 0.770 1.00 0.00 H new ATOM 2056 N LYS B 28 75.097 14.625 0.867 1.00 0.00 N ATOM 2057 CA LYS B 28 74.346 13.375 1.209 1.00 0.00 C ATOM 2058 C LYS B 28 73.217 13.163 0.198 1.00 0.00 C ATOM 2059 O LYS B 28 72.872 14.058 -0.547 1.00 0.00 O ATOM 2060 CB LYS B 28 73.752 13.515 2.609 1.00 0.00 C ATOM 2061 CG LYS B 28 74.875 13.696 3.630 1.00 0.00 C ATOM 2062 CD LYS B 28 74.274 13.836 5.027 1.00 0.00 C ATOM 2063 CE LYS B 28 75.401 14.016 6.040 1.00 0.00 C ATOM 2064 NZ LYS B 28 74.825 14.176 7.406 1.00 0.00 N ATOM 0 H LYS B 28 74.519 15.398 0.536 1.00 0.00 H new ATOM 0 HA LYS B 28 75.023 12.522 1.179 1.00 0.00 H new ATOM 0 HB2 LYS B 28 73.075 14.369 2.644 1.00 0.00 H new ATOM 0 HB3 LYS B 28 73.163 12.631 2.855 1.00 0.00 H new ATOM 0 HG2 LYS B 28 75.552 12.842 3.597 1.00 0.00 H new ATOM 0 HG3 LYS B 28 75.464 14.580 3.386 1.00 0.00 H new ATOM 0 HD2 LYS B 28 73.598 14.690 5.061 1.00 0.00 H new ATOM 0 HD3 LYS B 28 73.685 12.953 5.273 1.00 0.00 H new ATOM 0 HE2 LYS B 28 76.068 13.154 6.014 1.00 0.00 H new ATOM 0 HE3 LYS B 28 75.999 14.890 5.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 75.594 14.299 8.095 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 74.206 15.011 7.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 74.272 13.330 7.651 1.00 0.00 H new ATOM 2078 N LEU B 29 72.636 11.983 0.167 1.00 0.00 N ATOM 2079 CA LEU B 29 71.522 11.704 -0.796 1.00 0.00 C ATOM 2080 C LEU B 29 70.268 11.341 -0.011 1.00 0.00 C ATOM 2081 O LEU B 29 70.325 11.022 1.159 1.00 0.00 O ATOM 2082 CB LEU B 29 71.867 10.508 -1.708 1.00 0.00 C ATOM 2083 CG LEU B 29 73.328 10.543 -2.146 1.00 0.00 C ATOM 2084 CD1 LEU B 29 73.663 9.212 -2.825 1.00 0.00 C ATOM 2085 CD2 LEU B 29 73.534 11.687 -3.139 1.00 0.00 C ATOM 0 H LEU B 29 72.888 11.200 0.770 1.00 0.00 H new ATOM 0 HA LEU B 29 71.367 12.594 -1.406 1.00 0.00 H new ATOM 0 HB2 LEU B 29 71.667 9.576 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU B 29 71.222 10.521 -2.587 1.00 0.00 H new ATOM 0 HG LEU B 29 73.975 10.697 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU B 29 74.705 9.219 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU B 29 73.505 8.395 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU B 29 73.018 9.074 -3.693 1.00 0.00 H new ATOM 0 HD21 LEU B 29 74.578 11.713 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU B 29 72.897 11.532 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU B 29 73.274 12.633 -2.663 1.00 0.00 H new ATOM 2097 N ASN B 30 69.141 11.346 -0.663 1.00 0.00 N ATOM 2098 CA ASN B 30 67.881 10.945 0.013 1.00 0.00 C ATOM 2099 C ASN B 30 67.641 9.478 -0.333 1.00 0.00 C ATOM 2100 O ASN B 30 67.826 9.069 -1.460 1.00 0.00 O ATOM 2101 CB ASN B 30 66.713 11.802 -0.493 1.00 0.00 C ATOM 2102 CG ASN B 30 66.721 13.155 0.223 1.00 0.00 C ATOM 2103 OD1 ASN B 30 66.841 14.188 -0.405 1.00 0.00 O ATOM 2104 ND2 ASN B 30 66.597 13.191 1.522 1.00 0.00 N ATOM 0 H ASN B 30 69.039 11.613 -1.642 1.00 0.00 H new ATOM 0 HA ASN B 30 67.956 11.086 1.091 1.00 0.00 H new ATOM 0 HB2 ASN B 30 66.796 11.949 -1.570 1.00 0.00 H new ATOM 0 HB3 ASN B 30 65.768 11.290 -0.313 1.00 0.00 H new ATOM 0 HD21 ASN B 30 66.601 14.087 2.010 1.00 0.00 H new ATOM 0 HD22 ASN B 30 66.496 12.323 2.049 1.00 0.00 H new ATOM 2111 N LYS B 31 67.255 8.681 0.623 1.00 0.00 N ATOM 2112 CA LYS B 31 67.019 7.232 0.358 1.00 0.00 C ATOM 2113 C LYS B 31 66.285 7.054 -0.965 1.00 0.00 C ATOM 2114 O LYS B 31 66.409 6.057 -1.624 1.00 0.00 O ATOM 2115 CB LYS B 31 66.171 6.643 1.478 1.00 0.00 C ATOM 2116 CG LYS B 31 64.914 7.492 1.668 1.00 0.00 C ATOM 2117 CD LYS B 31 64.104 6.939 2.840 1.00 0.00 C ATOM 2118 CE LYS B 31 62.801 7.730 2.979 1.00 0.00 C ATOM 2119 NZ LYS B 31 62.128 7.359 4.257 1.00 0.00 N ATOM 0 H LYS B 31 67.091 8.973 1.586 1.00 0.00 H new ATOM 0 HA LYS B 31 67.981 6.721 0.309 1.00 0.00 H new ATOM 0 HB2 LYS B 31 65.896 5.616 1.238 1.00 0.00 H new ATOM 0 HB3 LYS B 31 66.745 6.611 2.404 1.00 0.00 H new ATOM 0 HG2 LYS B 31 65.187 8.530 1.858 1.00 0.00 H new ATOM 0 HG3 LYS B 31 64.313 7.482 0.759 1.00 0.00 H new ATOM 0 HD2 LYS B 31 63.885 5.883 2.679 1.00 0.00 H new ATOM 0 HD3 LYS B 31 64.683 7.008 3.761 1.00 0.00 H new ATOM 0 HE2 LYS B 31 63.009 8.800 2.962 1.00 0.00 H new ATOM 0 HE3 LYS B 31 62.144 7.520 2.135 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 61.100 7.307 4.106 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 62.478 6.434 4.578 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 62.335 8.077 4.980 1.00 0.00 H new ATOM 2133 N SER B 32 65.542 8.024 -1.378 1.00 0.00 N ATOM 2134 CA SER B 32 64.838 7.891 -2.673 1.00 0.00 C ATOM 2135 C SER B 32 65.897 7.697 -3.737 1.00 0.00 C ATOM 2136 O SER B 32 65.744 6.924 -4.661 1.00 0.00 O ATOM 2137 CB SER B 32 64.040 9.147 -2.984 1.00 0.00 C ATOM 2138 OG SER B 32 63.064 9.352 -1.971 1.00 0.00 O ATOM 0 H SER B 32 65.389 8.901 -0.881 1.00 0.00 H new ATOM 0 HA SER B 32 64.144 7.051 -2.638 1.00 0.00 H new ATOM 0 HB2 SER B 32 64.705 10.008 -3.042 1.00 0.00 H new ATOM 0 HB3 SER B 32 63.556 9.052 -3.956 1.00 0.00 H new ATOM 0 HG SER B 32 62.551 10.163 -2.171 1.00 0.00 H new ATOM 2144 N GLU B 33 66.990 8.385 -3.590 1.00 0.00 N ATOM 2145 CA GLU B 33 68.086 8.233 -4.567 1.00 0.00 C ATOM 2146 C GLU B 33 68.508 6.785 -4.537 1.00 0.00 C ATOM 2147 O GLU B 33 68.999 6.256 -5.505 1.00 0.00 O ATOM 2148 CB GLU B 33 69.259 9.144 -4.191 1.00 0.00 C ATOM 2149 CG GLU B 33 68.851 10.605 -4.403 1.00 0.00 C ATOM 2150 CD GLU B 33 68.653 10.872 -5.895 1.00 0.00 C ATOM 2151 OE1 GLU B 33 69.562 10.581 -6.655 1.00 0.00 O ATOM 2152 OE2 GLU B 33 67.595 11.360 -6.252 1.00 0.00 O ATOM 0 H GLU B 33 67.168 9.046 -2.833 1.00 0.00 H new ATOM 0 HA GLU B 33 67.759 8.516 -5.568 1.00 0.00 H new ATOM 0 HB2 GLU B 33 69.543 8.981 -3.151 1.00 0.00 H new ATOM 0 HB3 GLU B 33 70.130 8.905 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU B 33 67.930 10.818 -3.860 1.00 0.00 H new ATOM 0 HG3 GLU B 33 69.618 11.269 -4.003 1.00 0.00 H new ATOM 2159 N LEU B 34 68.282 6.108 -3.449 1.00 0.00 N ATOM 2160 CA LEU B 34 68.649 4.670 -3.445 1.00 0.00 C ATOM 2161 C LEU B 34 67.836 4.018 -4.553 1.00 0.00 C ATOM 2162 O LEU B 34 68.319 3.178 -5.280 1.00 0.00 O ATOM 2163 CB LEU B 34 68.319 4.004 -2.088 1.00 0.00 C ATOM 2164 CG LEU B 34 68.740 2.505 -2.082 1.00 0.00 C ATOM 2165 CD1 LEU B 34 70.125 2.347 -1.441 1.00 0.00 C ATOM 2166 CD2 LEU B 34 67.713 1.659 -1.287 1.00 0.00 C ATOM 0 H LEU B 34 67.873 6.473 -2.589 1.00 0.00 H new ATOM 0 HA LEU B 34 69.721 4.552 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU B 34 68.833 4.533 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU B 34 67.250 4.086 -1.890 1.00 0.00 H new ATOM 0 HG LEU B 34 68.774 2.155 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU B 34 70.409 1.295 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU B 34 70.857 2.921 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU B 34 70.095 2.713 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU B 34 68.021 0.614 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU B 34 67.664 2.018 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU B 34 66.731 1.750 -1.750 1.00 0.00 H new ATOM 2178 N LYS B 35 66.600 4.405 -4.699 1.00 0.00 N ATOM 2179 CA LYS B 35 65.786 3.799 -5.777 1.00 0.00 C ATOM 2180 C LYS B 35 66.236 4.345 -7.124 1.00 0.00 C ATOM 2181 O LYS B 35 66.521 3.610 -8.046 1.00 0.00 O ATOM 2182 CB LYS B 35 64.313 4.149 -5.589 1.00 0.00 C ATOM 2183 CG LYS B 35 63.473 3.311 -6.553 1.00 0.00 C ATOM 2184 CD LYS B 35 61.994 3.652 -6.376 1.00 0.00 C ATOM 2185 CE LYS B 35 61.150 2.727 -7.255 1.00 0.00 C ATOM 2186 NZ LYS B 35 59.706 2.959 -6.975 1.00 0.00 N ATOM 0 H LYS B 35 66.128 5.104 -4.126 1.00 0.00 H new ATOM 0 HA LYS B 35 65.916 2.717 -5.740 1.00 0.00 H new ATOM 0 HB2 LYS B 35 64.009 3.956 -4.560 1.00 0.00 H new ATOM 0 HB3 LYS B 35 64.152 5.211 -5.775 1.00 0.00 H new ATOM 0 HG2 LYS B 35 63.780 3.504 -7.581 1.00 0.00 H new ATOM 0 HG3 LYS B 35 63.637 2.250 -6.365 1.00 0.00 H new ATOM 0 HD2 LYS B 35 61.706 3.540 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS B 35 61.815 4.692 -6.647 1.00 0.00 H new ATOM 0 HE2 LYS B 35 61.362 2.914 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS B 35 61.407 1.686 -7.058 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 59.131 2.331 -7.572 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 59.510 2.759 -5.973 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 59.467 3.949 -7.184 1.00 0.00 H new ATOM 2200 N GLU B 36 66.275 5.637 -7.251 1.00 0.00 N ATOM 2201 CA GLU B 36 66.673 6.236 -8.547 1.00 0.00 C ATOM 2202 C GLU B 36 68.140 5.957 -8.850 1.00 0.00 C ATOM 2203 O GLU B 36 68.501 5.700 -9.981 1.00 0.00 O ATOM 2204 CB GLU B 36 66.421 7.749 -8.510 1.00 0.00 C ATOM 2205 CG GLU B 36 66.828 8.380 -9.844 1.00 0.00 C ATOM 2206 CD GLU B 36 65.959 7.820 -10.971 1.00 0.00 C ATOM 2207 OE1 GLU B 36 64.892 7.310 -10.672 1.00 0.00 O ATOM 2208 OE2 GLU B 36 66.373 7.911 -12.115 1.00 0.00 O ATOM 0 H GLU B 36 66.048 6.304 -6.513 1.00 0.00 H new ATOM 0 HA GLU B 36 66.074 5.785 -9.338 1.00 0.00 H new ATOM 0 HB2 GLU B 36 65.367 7.946 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU B 36 66.988 8.201 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU B 36 66.718 9.463 -9.792 1.00 0.00 H new ATOM 0 HG3 GLU B 36 67.879 8.175 -10.047 1.00 0.00 H new ATOM 2215 N LEU B 37 68.998 6.023 -7.879 1.00 0.00 N ATOM 2216 CA LEU B 37 70.426 5.777 -8.175 1.00 0.00 C ATOM 2217 C LEU B 37 70.607 4.314 -8.531 1.00 0.00 C ATOM 2218 O LEU B 37 71.391 3.966 -9.389 1.00 0.00 O ATOM 2219 CB LEU B 37 71.274 6.138 -6.943 1.00 0.00 C ATOM 2220 CG LEU B 37 72.786 6.130 -7.283 1.00 0.00 C ATOM 2221 CD1 LEU B 37 73.532 7.057 -6.312 1.00 0.00 C ATOM 2222 CD2 LEU B 37 73.377 4.705 -7.170 1.00 0.00 C ATOM 0 H LEU B 37 68.776 6.234 -6.906 1.00 0.00 H new ATOM 0 HA LEU B 37 70.749 6.394 -9.014 1.00 0.00 H new ATOM 0 HB2 LEU B 37 70.986 7.123 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU B 37 71.075 5.428 -6.140 1.00 0.00 H new ATOM 0 HG LEU B 37 72.906 6.477 -8.309 1.00 0.00 H new ATOM 0 HD11 LEU B 37 74.596 7.053 -6.550 1.00 0.00 H new ATOM 0 HD12 LEU B 37 73.143 8.071 -6.406 1.00 0.00 H new ATOM 0 HD13 LEU B 37 73.387 6.706 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU B 37 74.439 4.731 -7.414 1.00 0.00 H new ATOM 0 HD22 LEU B 37 73.248 4.337 -6.152 1.00 0.00 H new ATOM 0 HD23 LEU B 37 72.861 4.041 -7.864 1.00 0.00 H new ATOM 2234 N LEU B 38 69.894 3.443 -7.880 1.00 0.00 N ATOM 2235 CA LEU B 38 70.079 1.989 -8.199 1.00 0.00 C ATOM 2236 C LEU B 38 69.443 1.610 -9.529 1.00 0.00 C ATOM 2237 O LEU B 38 70.001 0.839 -10.283 1.00 0.00 O ATOM 2238 CB LEU B 38 69.516 1.111 -7.080 1.00 0.00 C ATOM 2239 CG LEU B 38 70.406 1.198 -5.826 1.00 0.00 C ATOM 2240 CD1 LEU B 38 69.810 0.296 -4.742 1.00 0.00 C ATOM 2241 CD2 LEU B 38 71.843 0.734 -6.149 1.00 0.00 C ATOM 0 H LEU B 38 69.206 3.658 -7.158 1.00 0.00 H new ATOM 0 HA LEU B 38 71.152 1.816 -8.282 1.00 0.00 H new ATOM 0 HB2 LEU B 38 68.502 1.428 -6.836 1.00 0.00 H new ATOM 0 HB3 LEU B 38 69.454 0.077 -7.418 1.00 0.00 H new ATOM 0 HG LEU B 38 70.446 2.231 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU B 38 70.429 0.346 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU B 38 68.800 0.631 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU B 38 69.776 -0.732 -5.102 1.00 0.00 H new ATOM 0 HD21 LEU B 38 72.458 0.802 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU B 38 71.822 -0.299 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU B 38 72.265 1.371 -6.927 1.00 0.00 H new ATOM 2253 N THR B 39 68.300 2.118 -9.838 1.00 0.00 N ATOM 2254 CA THR B 39 67.684 1.743 -11.132 1.00 0.00 C ATOM 2255 C THR B 39 68.454 2.416 -12.242 1.00 0.00 C ATOM 2256 O THR B 39 68.468 1.967 -13.370 1.00 0.00 O ATOM 2257 CB THR B 39 66.241 2.227 -11.176 1.00 0.00 C ATOM 2258 OG1 THR B 39 66.220 3.644 -11.080 1.00 0.00 O ATOM 2259 CG2 THR B 39 65.475 1.628 -10.009 1.00 0.00 C ATOM 0 H THR B 39 67.766 2.769 -9.263 1.00 0.00 H new ATOM 0 HA THR B 39 67.707 0.659 -11.248 1.00 0.00 H new ATOM 0 HB THR B 39 65.777 1.918 -12.113 1.00 0.00 H new ATOM 0 HG1 THR B 39 66.402 3.912 -10.155 1.00 0.00 H new ATOM 0 HG21 THR B 39 64.441 1.972 -10.037 1.00 0.00 H new ATOM 0 HG22 THR B 39 65.497 0.540 -10.079 1.00 0.00 H new ATOM 0 HG23 THR B 39 65.936 1.941 -9.072 1.00 0.00 H new ATOM 2267 N ARG B 40 69.087 3.511 -11.934 1.00 0.00 N ATOM 2268 CA ARG B 40 69.842 4.230 -12.981 1.00 0.00 C ATOM 2269 C ARG B 40 71.223 3.607 -13.141 1.00 0.00 C ATOM 2270 O ARG B 40 71.810 3.662 -14.205 1.00 0.00 O ATOM 2271 CB ARG B 40 70.009 5.705 -12.593 1.00 0.00 C ATOM 2272 CG ARG B 40 68.667 6.452 -12.666 1.00 0.00 C ATOM 2273 CD ARG B 40 68.367 6.896 -14.107 1.00 0.00 C ATOM 2274 NE ARG B 40 69.308 7.987 -14.494 1.00 0.00 N ATOM 2275 CZ ARG B 40 69.407 8.350 -15.745 1.00 0.00 C ATOM 2276 NH1 ARG B 40 68.685 7.758 -16.655 1.00 0.00 N ATOM 2277 NH2 ARG B 40 70.228 9.308 -16.084 1.00 0.00 N ATOM 0 H ARG B 40 69.112 3.934 -11.006 1.00 0.00 H new ATOM 0 HA ARG B 40 69.290 4.158 -13.918 1.00 0.00 H new ATOM 0 HB2 ARG B 40 70.413 5.775 -11.583 1.00 0.00 H new ATOM 0 HB3 ARG B 40 70.730 6.180 -13.259 1.00 0.00 H new ATOM 0 HG2 ARG B 40 67.866 5.806 -12.305 1.00 0.00 H new ATOM 0 HG3 ARG B 40 68.694 7.323 -12.011 1.00 0.00 H new ATOM 0 HD2 ARG B 40 68.471 6.052 -14.789 1.00 0.00 H new ATOM 0 HD3 ARG B 40 67.337 7.244 -14.185 1.00 0.00 H new ATOM 0 HE ARG B 40 69.874 8.449 -13.782 1.00 0.00 H new ATOM 0 HH11 ARG B 40 68.043 7.011 -16.390 1.00 0.00 H new ATOM 0 HH12 ARG B 40 68.762 8.042 -17.632 1.00 0.00 H new ATOM 0 HH21 ARG B 40 70.792 9.772 -15.372 1.00 0.00 H new ATOM 0 HH22 ARG B 40 70.305 9.592 -17.061 1.00 0.00 H new ATOM 2291 N GLU B 41 71.764 3.033 -12.088 1.00 0.00 N ATOM 2292 CA GLU B 41 73.138 2.433 -12.182 1.00 0.00 C ATOM 2293 C GLU B 41 73.080 0.925 -12.042 1.00 0.00 C ATOM 2294 O GLU B 41 74.018 0.235 -12.387 1.00 0.00 O ATOM 2295 CB GLU B 41 74.012 3.033 -11.082 1.00 0.00 C ATOM 2296 CG GLU B 41 74.294 4.499 -11.414 1.00 0.00 C ATOM 2297 CD GLU B 41 75.166 5.113 -10.318 1.00 0.00 C ATOM 2298 OE1 GLU B 41 75.388 4.446 -9.322 1.00 0.00 O ATOM 2299 OE2 GLU B 41 75.591 6.243 -10.492 1.00 0.00 O ATOM 0 H GLU B 41 71.318 2.954 -11.174 1.00 0.00 H new ATOM 0 HA GLU B 41 73.563 2.660 -13.160 1.00 0.00 H new ATOM 0 HB2 GLU B 41 73.510 2.955 -10.118 1.00 0.00 H new ATOM 0 HB3 GLU B 41 74.947 2.479 -11.000 1.00 0.00 H new ATOM 0 HG2 GLU B 41 74.797 4.574 -12.378 1.00 0.00 H new ATOM 0 HG3 GLU B 41 73.357 5.050 -11.499 1.00 0.00 H new ATOM 2306 N LEU B 42 71.992 0.396 -11.560 1.00 0.00 N ATOM 2307 CA LEU B 42 71.893 -1.086 -11.430 1.00 0.00 C ATOM 2308 C LEU B 42 70.469 -1.537 -11.789 1.00 0.00 C ATOM 2309 O LEU B 42 69.662 -1.780 -10.913 1.00 0.00 O ATOM 2310 CB LEU B 42 72.217 -1.510 -9.991 1.00 0.00 C ATOM 2311 CG LEU B 42 73.703 -1.215 -9.657 1.00 0.00 C ATOM 2312 CD1 LEU B 42 73.860 0.215 -9.097 1.00 0.00 C ATOM 2313 CD2 LEU B 42 74.210 -2.234 -8.620 1.00 0.00 C ATOM 0 H LEU B 42 71.172 0.919 -11.252 1.00 0.00 H new ATOM 0 HA LEU B 42 72.607 -1.553 -12.108 1.00 0.00 H new ATOM 0 HB2 LEU B 42 71.569 -0.977 -9.295 1.00 0.00 H new ATOM 0 HB3 LEU B 42 72.014 -2.574 -9.865 1.00 0.00 H new ATOM 0 HG LEU B 42 74.290 -1.298 -10.572 1.00 0.00 H new ATOM 0 HD11 LEU B 42 74.909 0.403 -8.869 1.00 0.00 H new ATOM 0 HD12 LEU B 42 73.515 0.936 -9.838 1.00 0.00 H new ATOM 0 HD13 LEU B 42 73.267 0.317 -8.188 1.00 0.00 H new ATOM 0 HD21 LEU B 42 75.254 -2.026 -8.386 1.00 0.00 H new ATOM 0 HD22 LEU B 42 73.612 -2.157 -7.712 1.00 0.00 H new ATOM 0 HD23 LEU B 42 74.123 -3.241 -9.027 1.00 0.00 H new ATOM 2325 N PRO B 43 70.149 -1.646 -13.060 1.00 0.00 N ATOM 2326 CA PRO B 43 68.783 -2.069 -13.470 1.00 0.00 C ATOM 2327 C PRO B 43 68.559 -3.587 -13.316 1.00 0.00 C ATOM 2328 O PRO B 43 68.202 -4.060 -12.256 1.00 0.00 O ATOM 2329 CB PRO B 43 68.743 -1.615 -14.943 1.00 0.00 C ATOM 2330 CG PRO B 43 70.195 -1.401 -15.413 1.00 0.00 C ATOM 2331 CD PRO B 43 71.103 -1.356 -14.168 1.00 0.00 C ATOM 0 HA PRO B 43 67.992 -1.639 -12.856 1.00 0.00 H new ATOM 0 HB2 PRO B 43 68.249 -2.365 -15.560 1.00 0.00 H new ATOM 0 HB3 PRO B 43 68.170 -0.693 -15.043 1.00 0.00 H new ATOM 0 HG2 PRO B 43 70.502 -2.208 -16.078 1.00 0.00 H new ATOM 0 HG3 PRO B 43 70.279 -0.473 -15.978 1.00 0.00 H new ATOM 0 HD2 PRO B 43 71.901 -2.097 -14.221 1.00 0.00 H new ATOM 0 HD3 PRO B 43 71.579 -0.383 -14.049 1.00 0.00 H new ATOM 2339 N SER B 44 68.744 -4.351 -14.362 1.00 0.00 N ATOM 2340 CA SER B 44 68.515 -5.827 -14.265 1.00 0.00 C ATOM 2341 C SER B 44 69.525 -6.478 -13.311 1.00 0.00 C ATOM 2342 O SER B 44 69.164 -7.261 -12.459 1.00 0.00 O ATOM 2343 CB SER B 44 68.658 -6.449 -15.654 1.00 0.00 C ATOM 2344 OG SER B 44 68.284 -7.819 -15.596 1.00 0.00 O ATOM 0 H SER B 44 69.043 -4.019 -15.279 1.00 0.00 H new ATOM 0 HA SER B 44 67.512 -5.999 -13.875 1.00 0.00 H new ATOM 0 HB2 SER B 44 68.029 -5.918 -16.369 1.00 0.00 H new ATOM 0 HB3 SER B 44 69.686 -6.355 -16.003 1.00 0.00 H new ATOM 0 HG SER B 44 68.373 -8.220 -16.486 1.00 0.00 H new ATOM 2350 N PHE B 45 70.785 -6.163 -13.452 1.00 0.00 N ATOM 2351 CA PHE B 45 71.836 -6.763 -12.565 1.00 0.00 C ATOM 2352 C PHE B 45 71.409 -6.718 -11.096 1.00 0.00 C ATOM 2353 O PHE B 45 72.040 -7.299 -10.236 1.00 0.00 O ATOM 2354 CB PHE B 45 73.111 -5.946 -12.705 1.00 0.00 C ATOM 2355 CG PHE B 45 74.220 -6.596 -11.912 1.00 0.00 C ATOM 2356 CD1 PHE B 45 74.421 -6.247 -10.570 1.00 0.00 C ATOM 2357 CD2 PHE B 45 75.046 -7.550 -12.517 1.00 0.00 C ATOM 2358 CE1 PHE B 45 75.448 -6.852 -9.835 1.00 0.00 C ATOM 2359 CE2 PHE B 45 76.073 -8.155 -11.782 1.00 0.00 C ATOM 2360 CZ PHE B 45 76.274 -7.806 -10.441 1.00 0.00 C ATOM 0 H PHE B 45 71.139 -5.509 -14.150 1.00 0.00 H new ATOM 0 HA PHE B 45 71.987 -7.801 -12.862 1.00 0.00 H new ATOM 0 HB2 PHE B 45 73.395 -5.874 -13.755 1.00 0.00 H new ATOM 0 HB3 PHE B 45 72.944 -4.929 -12.350 1.00 0.00 H new ATOM 0 HD1 PHE B 45 73.784 -5.511 -10.102 1.00 0.00 H new ATOM 0 HD2 PHE B 45 74.891 -7.820 -13.551 1.00 0.00 H new ATOM 0 HE1 PHE B 45 75.603 -6.583 -8.801 1.00 0.00 H new ATOM 0 HE2 PHE B 45 76.710 -8.891 -12.250 1.00 0.00 H new ATOM 0 HZ PHE B 45 77.066 -8.273 -9.874 1.00 0.00 H new ATOM 2370 N LEU B 46 70.358 -6.018 -10.810 1.00 0.00 N ATOM 2371 CA LEU B 46 69.868 -5.891 -9.401 1.00 0.00 C ATOM 2372 C LEU B 46 68.366 -6.100 -9.425 1.00 0.00 C ATOM 2373 O LEU B 46 67.805 -6.818 -8.621 1.00 0.00 O ATOM 2374 CB LEU B 46 70.221 -4.485 -8.904 1.00 0.00 C ATOM 2375 CG LEU B 46 69.590 -4.182 -7.535 1.00 0.00 C ATOM 2376 CD1 LEU B 46 70.267 -5.021 -6.443 1.00 0.00 C ATOM 2377 CD2 LEU B 46 69.782 -2.695 -7.221 1.00 0.00 C ATOM 0 H LEU B 46 69.800 -5.515 -11.500 1.00 0.00 H new ATOM 0 HA LEU B 46 70.324 -6.623 -8.734 1.00 0.00 H new ATOM 0 HB2 LEU B 46 71.304 -4.387 -8.833 1.00 0.00 H new ATOM 0 HB3 LEU B 46 69.881 -3.748 -9.631 1.00 0.00 H new ATOM 0 HG LEU B 46 68.529 -4.429 -7.564 1.00 0.00 H new ATOM 0 HD11 LEU B 46 69.812 -4.798 -5.478 1.00 0.00 H new ATOM 0 HD12 LEU B 46 70.141 -6.080 -6.667 1.00 0.00 H new ATOM 0 HD13 LEU B 46 71.330 -4.782 -6.407 1.00 0.00 H new ATOM 0 HD21 LEU B 46 69.338 -2.468 -6.252 1.00 0.00 H new ATOM 0 HD22 LEU B 46 70.847 -2.463 -7.196 1.00 0.00 H new ATOM 0 HD23 LEU B 46 69.298 -2.095 -7.991 1.00 0.00 H new ATOM 2389 N GLY B 47 67.723 -5.517 -10.390 1.00 0.00 N ATOM 2390 CA GLY B 47 66.264 -5.711 -10.542 1.00 0.00 C ATOM 2391 C GLY B 47 66.118 -6.977 -11.358 1.00 0.00 C ATOM 2392 O GLY B 47 65.147 -7.191 -12.058 1.00 0.00 O ATOM 0 H GLY B 47 68.152 -4.908 -11.087 1.00 0.00 H new ATOM 0 HA2 GLY B 47 65.776 -5.809 -9.572 1.00 0.00 H new ATOM 0 HA3 GLY B 47 65.804 -4.861 -11.046 1.00 0.00 H new ATOM 2396 N LYS B 48 67.125 -7.808 -11.287 1.00 0.00 N ATOM 2397 CA LYS B 48 67.127 -9.063 -12.065 1.00 0.00 C ATOM 2398 C LYS B 48 65.920 -9.936 -11.662 1.00 0.00 C ATOM 2399 O LYS B 48 65.841 -11.092 -12.022 1.00 0.00 O ATOM 2400 CB LYS B 48 68.455 -9.826 -11.800 1.00 0.00 C ATOM 2401 CG LYS B 48 69.189 -10.129 -13.123 1.00 0.00 C ATOM 2402 CD LYS B 48 68.390 -11.143 -13.961 1.00 0.00 C ATOM 2403 CE LYS B 48 68.755 -12.576 -13.552 1.00 0.00 C ATOM 2404 NZ LYS B 48 67.906 -13.541 -14.307 1.00 0.00 N ATOM 0 H LYS B 48 67.954 -7.660 -10.712 1.00 0.00 H new ATOM 0 HA LYS B 48 67.048 -8.834 -13.128 1.00 0.00 H new ATOM 0 HB2 LYS B 48 69.098 -9.231 -11.151 1.00 0.00 H new ATOM 0 HB3 LYS B 48 68.245 -10.757 -11.274 1.00 0.00 H new ATOM 0 HG2 LYS B 48 69.326 -9.208 -13.689 1.00 0.00 H new ATOM 0 HG3 LYS B 48 70.183 -10.525 -12.912 1.00 0.00 H new ATOM 0 HD2 LYS B 48 67.322 -10.979 -13.822 1.00 0.00 H new ATOM 0 HD3 LYS B 48 68.600 -10.995 -15.020 1.00 0.00 H new ATOM 0 HE2 LYS B 48 69.809 -12.766 -13.755 1.00 0.00 H new ATOM 0 HE3 LYS B 48 68.608 -12.708 -12.480 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 68.154 -14.512 -14.030 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 66.904 -13.364 -14.092 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 68.067 -13.421 -15.327 1.00 0.00 H new ATOM 2418 N ARG B 49 65.000 -9.400 -10.896 1.00 0.00 N ATOM 2419 CA ARG B 49 63.815 -10.194 -10.453 1.00 0.00 C ATOM 2420 C ARG B 49 64.296 -11.405 -9.650 1.00 0.00 C ATOM 2421 O ARG B 49 63.586 -12.378 -9.485 1.00 0.00 O ATOM 2422 CB ARG B 49 62.997 -10.658 -11.669 1.00 0.00 C ATOM 2423 CG ARG B 49 62.513 -9.437 -12.455 1.00 0.00 C ATOM 2424 CD ARG B 49 61.697 -9.895 -13.668 1.00 0.00 C ATOM 2425 NE ARG B 49 62.562 -10.704 -14.574 1.00 0.00 N ATOM 2426 CZ ARG B 49 62.021 -11.436 -15.511 1.00 0.00 C ATOM 2427 NH1 ARG B 49 60.725 -11.447 -15.665 1.00 0.00 N ATOM 2428 NH2 ARG B 49 62.777 -12.155 -16.296 1.00 0.00 N ATOM 0 H ARG B 49 65.022 -8.438 -10.557 1.00 0.00 H new ATOM 0 HA ARG B 49 63.176 -9.571 -9.828 1.00 0.00 H new ATOM 0 HB2 ARG B 49 63.606 -11.297 -12.308 1.00 0.00 H new ATOM 0 HB3 ARG B 49 62.145 -11.254 -11.342 1.00 0.00 H new ATOM 0 HG2 ARG B 49 61.904 -8.798 -11.815 1.00 0.00 H new ATOM 0 HG3 ARG B 49 63.365 -8.841 -12.782 1.00 0.00 H new ATOM 0 HD2 ARG B 49 60.841 -10.486 -13.342 1.00 0.00 H new ATOM 0 HD3 ARG B 49 61.302 -9.030 -14.201 1.00 0.00 H new ATOM 0 HE ARG B 49 63.576 -10.686 -14.462 1.00 0.00 H new ATOM 0 HH11 ARG B 49 60.134 -10.884 -15.054 1.00 0.00 H new ATOM 0 HH12 ARG B 49 60.303 -12.019 -16.397 1.00 0.00 H new ATOM 0 HH21 ARG B 49 63.790 -12.145 -16.178 1.00 0.00 H new ATOM 0 HH22 ARG B 49 62.355 -12.727 -17.028 1.00 0.00 H new ATOM 2442 N THR B 50 65.504 -11.344 -9.148 1.00 0.00 N ATOM 2443 CA THR B 50 66.064 -12.477 -8.348 1.00 0.00 C ATOM 2444 C THR B 50 66.057 -12.108 -6.862 1.00 0.00 C ATOM 2445 O THR B 50 66.314 -10.979 -6.494 1.00 0.00 O ATOM 2446 CB THR B 50 67.506 -12.744 -8.788 1.00 0.00 C ATOM 2447 OG1 THR B 50 67.996 -13.900 -8.123 1.00 0.00 O ATOM 2448 CG2 THR B 50 68.385 -11.541 -8.436 1.00 0.00 C ATOM 0 H THR B 50 66.133 -10.549 -9.260 1.00 0.00 H new ATOM 0 HA THR B 50 65.456 -13.367 -8.508 1.00 0.00 H new ATOM 0 HB THR B 50 67.531 -12.904 -9.866 1.00 0.00 H new ATOM 0 HG1 THR B 50 68.918 -14.073 -8.405 1.00 0.00 H new ATOM 0 HG21 THR B 50 69.410 -11.735 -8.751 1.00 0.00 H new ATOM 0 HG22 THR B 50 68.010 -10.654 -8.947 1.00 0.00 H new ATOM 0 HG23 THR B 50 68.361 -11.376 -7.359 1.00 0.00 H new ATOM 2456 N ASP B 51 65.775 -13.050 -6.005 1.00 0.00 N ATOM 2457 CA ASP B 51 65.767 -12.745 -4.549 1.00 0.00 C ATOM 2458 C ASP B 51 64.904 -11.506 -4.293 1.00 0.00 C ATOM 2459 O ASP B 51 65.376 -10.500 -3.804 1.00 0.00 O ATOM 2460 CB ASP B 51 67.197 -12.477 -4.072 1.00 0.00 C ATOM 2461 CG ASP B 51 68.002 -13.778 -4.111 1.00 0.00 C ATOM 2462 OD1 ASP B 51 67.387 -14.831 -4.124 1.00 0.00 O ATOM 2463 OD2 ASP B 51 69.220 -13.697 -4.122 1.00 0.00 O ATOM 0 H ASP B 51 65.551 -14.014 -6.250 1.00 0.00 H new ATOM 0 HA ASP B 51 65.357 -13.595 -4.003 1.00 0.00 H new ATOM 0 HB2 ASP B 51 67.668 -11.726 -4.706 1.00 0.00 H new ATOM 0 HB3 ASP B 51 67.184 -12.075 -3.059 1.00 0.00 H new ATOM 2468 N GLU B 52 63.644 -11.573 -4.620 1.00 0.00 N ATOM 2469 CA GLU B 52 62.751 -10.400 -4.398 1.00 0.00 C ATOM 2470 C GLU B 52 62.729 -10.053 -2.911 1.00 0.00 C ATOM 2471 O GLU B 52 62.721 -8.897 -2.537 1.00 0.00 O ATOM 2472 CB GLU B 52 61.328 -10.737 -4.851 1.00 0.00 C ATOM 2473 CG GLU B 52 61.271 -10.834 -6.377 1.00 0.00 C ATOM 2474 CD GLU B 52 61.423 -9.438 -6.982 1.00 0.00 C ATOM 2475 OE1 GLU B 52 61.425 -8.483 -6.224 1.00 0.00 O ATOM 2476 OE2 GLU B 52 61.521 -9.346 -8.194 1.00 0.00 O ATOM 0 H GLU B 52 63.193 -12.390 -5.032 1.00 0.00 H new ATOM 0 HA GLU B 52 63.126 -9.553 -4.973 1.00 0.00 H new ATOM 0 HB2 GLU B 52 61.010 -11.680 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU B 52 60.636 -9.971 -4.501 1.00 0.00 H new ATOM 0 HG2 GLU B 52 62.064 -11.488 -6.740 1.00 0.00 H new ATOM 0 HG3 GLU B 52 60.325 -11.276 -6.689 1.00 0.00 H new ATOM 2483 N ALA B 53 62.706 -11.037 -2.057 1.00 0.00 N ATOM 2484 CA ALA B 53 62.672 -10.738 -0.601 1.00 0.00 C ATOM 2485 C ALA B 53 63.897 -9.897 -0.229 1.00 0.00 C ATOM 2486 O ALA B 53 63.776 -8.853 0.374 1.00 0.00 O ATOM 2487 CB ALA B 53 62.693 -12.053 0.186 1.00 0.00 C ATOM 0 H ALA B 53 62.709 -12.027 -2.302 1.00 0.00 H new ATOM 0 HA ALA B 53 61.765 -10.185 -0.359 1.00 0.00 H new ATOM 0 HB1 ALA B 53 62.668 -11.838 1.254 1.00 0.00 H new ATOM 0 HB2 ALA B 53 61.824 -12.652 -0.084 1.00 0.00 H new ATOM 0 HB3 ALA B 53 63.602 -12.605 -0.052 1.00 0.00 H new ATOM 2493 N ALA B 54 65.072 -10.330 -0.597 1.00 0.00 N ATOM 2494 CA ALA B 54 66.296 -9.539 -0.269 1.00 0.00 C ATOM 2495 C ALA B 54 66.194 -8.157 -0.907 1.00 0.00 C ATOM 2496 O ALA B 54 66.435 -7.148 -0.277 1.00 0.00 O ATOM 2497 CB ALA B 54 67.524 -10.264 -0.810 1.00 0.00 C ATOM 0 H ALA B 54 65.239 -11.196 -1.110 1.00 0.00 H new ATOM 0 HA ALA B 54 66.384 -9.431 0.812 1.00 0.00 H new ATOM 0 HB1 ALA B 54 68.420 -9.690 -0.573 1.00 0.00 H new ATOM 0 HB2 ALA B 54 67.594 -11.251 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA B 54 67.437 -10.370 -1.891 1.00 0.00 H new ATOM 2503 N PHE B 55 65.818 -8.108 -2.149 1.00 0.00 N ATOM 2504 CA PHE B 55 65.673 -6.797 -2.828 1.00 0.00 C ATOM 2505 C PHE B 55 64.635 -5.993 -2.067 1.00 0.00 C ATOM 2506 O PHE B 55 64.769 -4.804 -1.853 1.00 0.00 O ATOM 2507 CB PHE B 55 65.175 -7.038 -4.242 1.00 0.00 C ATOM 2508 CG PHE B 55 65.013 -5.722 -4.970 1.00 0.00 C ATOM 2509 CD1 PHE B 55 66.143 -4.998 -5.370 1.00 0.00 C ATOM 2510 CD2 PHE B 55 63.731 -5.230 -5.253 1.00 0.00 C ATOM 2511 CE1 PHE B 55 65.991 -3.783 -6.052 1.00 0.00 C ATOM 2512 CE2 PHE B 55 63.581 -4.016 -5.933 1.00 0.00 C ATOM 2513 CZ PHE B 55 64.710 -3.293 -6.332 1.00 0.00 C ATOM 0 H PHE B 55 65.604 -8.922 -2.725 1.00 0.00 H new ATOM 0 HA PHE B 55 66.623 -6.264 -2.857 1.00 0.00 H new ATOM 0 HB2 PHE B 55 65.878 -7.675 -4.779 1.00 0.00 H new ATOM 0 HB3 PHE B 55 64.222 -7.567 -4.215 1.00 0.00 H new ATOM 0 HD1 PHE B 55 67.131 -5.376 -5.153 1.00 0.00 H new ATOM 0 HD2 PHE B 55 62.859 -5.788 -4.946 1.00 0.00 H new ATOM 0 HE1 PHE B 55 66.862 -3.225 -6.361 1.00 0.00 H new ATOM 0 HE2 PHE B 55 62.593 -3.637 -6.150 1.00 0.00 H new ATOM 0 HZ PHE B 55 64.593 -2.356 -6.856 1.00 0.00 H new ATOM 2523 N GLN B 56 63.601 -6.656 -1.648 1.00 0.00 N ATOM 2524 CA GLN B 56 62.533 -5.971 -0.883 1.00 0.00 C ATOM 2525 C GLN B 56 63.113 -5.480 0.434 1.00 0.00 C ATOM 2526 O GLN B 56 62.701 -4.472 0.960 1.00 0.00 O ATOM 2527 CB GLN B 56 61.376 -6.941 -0.631 1.00 0.00 C ATOM 2528 CG GLN B 56 60.273 -6.235 0.160 1.00 0.00 C ATOM 2529 CD GLN B 56 59.055 -7.156 0.264 1.00 0.00 C ATOM 2530 OE1 GLN B 56 58.996 -8.180 -0.388 1.00 0.00 O ATOM 2531 NE2 GLN B 56 58.076 -6.837 1.065 1.00 0.00 N ATOM 0 H GLN B 56 63.449 -7.652 -1.804 1.00 0.00 H new ATOM 0 HA GLN B 56 62.152 -5.121 -1.449 1.00 0.00 H new ATOM 0 HB2 GLN B 56 60.981 -7.305 -1.579 1.00 0.00 H new ATOM 0 HB3 GLN B 56 61.732 -7.811 -0.080 1.00 0.00 H new ATOM 0 HG2 GLN B 56 60.633 -5.976 1.156 1.00 0.00 H new ATOM 0 HG3 GLN B 56 59.997 -5.302 -0.332 1.00 0.00 H new ATOM 0 HE21 GLN B 56 58.124 -5.978 1.613 1.00 0.00 H new ATOM 0 HE22 GLN B 56 57.262 -7.447 1.144 1.00 0.00 H new ATOM 2540 N LYS B 57 64.085 -6.170 0.960 1.00 0.00 N ATOM 2541 CA LYS B 57 64.702 -5.701 2.238 1.00 0.00 C ATOM 2542 C LYS B 57 65.488 -4.439 1.943 1.00 0.00 C ATOM 2543 O LYS B 57 65.464 -3.481 2.690 1.00 0.00 O ATOM 2544 CB LYS B 57 65.635 -6.760 2.843 1.00 0.00 C ATOM 2545 CG LYS B 57 64.814 -7.948 3.370 1.00 0.00 C ATOM 2546 CD LYS B 57 65.659 -8.801 4.333 1.00 0.00 C ATOM 2547 CE LYS B 57 66.631 -9.683 3.547 1.00 0.00 C ATOM 2548 NZ LYS B 57 67.449 -10.485 4.499 1.00 0.00 N ATOM 0 H LYS B 57 64.477 -7.027 0.570 1.00 0.00 H new ATOM 0 HA LYS B 57 63.912 -5.512 2.964 1.00 0.00 H new ATOM 0 HB2 LYS B 57 66.344 -7.104 2.090 1.00 0.00 H new ATOM 0 HB3 LYS B 57 66.217 -6.322 3.654 1.00 0.00 H new ATOM 0 HG2 LYS B 57 63.924 -7.584 3.883 1.00 0.00 H new ATOM 0 HG3 LYS B 57 64.473 -8.561 2.536 1.00 0.00 H new ATOM 0 HD2 LYS B 57 66.213 -8.153 5.013 1.00 0.00 H new ATOM 0 HD3 LYS B 57 65.007 -9.423 4.946 1.00 0.00 H new ATOM 0 HE2 LYS B 57 66.080 -10.343 2.877 1.00 0.00 H new ATOM 0 HE3 LYS B 57 67.278 -9.065 2.924 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 68.111 -11.086 3.967 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 67.984 -9.846 5.121 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 66.824 -11.084 5.075 1.00 0.00 H new ATOM 2562 N LEU B 58 66.158 -4.422 0.831 1.00 0.00 N ATOM 2563 CA LEU B 58 66.918 -3.210 0.451 1.00 0.00 C ATOM 2564 C LEU B 58 65.892 -2.115 0.241 1.00 0.00 C ATOM 2565 O LEU B 58 66.044 -0.994 0.680 1.00 0.00 O ATOM 2566 CB LEU B 58 67.707 -3.485 -0.837 1.00 0.00 C ATOM 2567 CG LEU B 58 68.396 -2.209 -1.336 1.00 0.00 C ATOM 2568 CD1 LEU B 58 69.372 -1.679 -0.275 1.00 0.00 C ATOM 2569 CD2 LEU B 58 69.166 -2.531 -2.621 1.00 0.00 C ATOM 0 H LEU B 58 66.212 -5.196 0.169 1.00 0.00 H new ATOM 0 HA LEU B 58 67.637 -2.918 1.217 1.00 0.00 H new ATOM 0 HB2 LEU B 58 68.453 -4.259 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU B 58 67.035 -3.866 -1.606 1.00 0.00 H new ATOM 0 HG LEU B 58 67.642 -1.446 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU B 58 69.853 -0.773 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU B 58 68.826 -1.453 0.641 1.00 0.00 H new ATOM 0 HD13 LEU B 58 70.130 -2.434 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU B 58 69.660 -1.630 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU B 58 69.914 -3.297 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU B 58 68.473 -2.896 -3.379 1.00 0.00 H new ATOM 2581 N MET B 59 64.815 -2.464 -0.397 1.00 0.00 N ATOM 2582 CA MET B 59 63.724 -1.485 -0.606 1.00 0.00 C ATOM 2583 C MET B 59 63.068 -1.216 0.743 1.00 0.00 C ATOM 2584 O MET B 59 62.634 -0.124 1.039 1.00 0.00 O ATOM 2585 CB MET B 59 62.686 -2.030 -1.588 1.00 0.00 C ATOM 2586 CG MET B 59 61.705 -0.912 -1.951 1.00 0.00 C ATOM 2587 SD MET B 59 60.546 -1.502 -3.210 1.00 0.00 S ATOM 2588 CE MET B 59 61.569 -1.125 -4.653 1.00 0.00 C ATOM 0 H MET B 59 64.644 -3.392 -0.785 1.00 0.00 H new ATOM 0 HA MET B 59 64.131 -0.565 -1.026 1.00 0.00 H new ATOM 0 HB2 MET B 59 63.178 -2.405 -2.486 1.00 0.00 H new ATOM 0 HB3 MET B 59 62.152 -2.869 -1.143 1.00 0.00 H new ATOM 0 HG2 MET B 59 61.160 -0.591 -1.063 1.00 0.00 H new ATOM 0 HG3 MET B 59 62.249 -0.044 -2.322 1.00 0.00 H new ATOM 0 HE1 MET B 59 61.046 -1.430 -5.559 1.00 0.00 H new ATOM 0 HE2 MET B 59 61.765 -0.053 -4.690 1.00 0.00 H new ATOM 0 HE3 MET B 59 62.514 -1.664 -4.580 1.00 0.00 H new ATOM 2598 N SER B 60 62.991 -2.211 1.575 1.00 0.00 N ATOM 2599 CA SER B 60 62.367 -1.988 2.905 1.00 0.00 C ATOM 2600 C SER B 60 63.153 -0.888 3.607 1.00 0.00 C ATOM 2601 O SER B 60 62.640 -0.182 4.454 1.00 0.00 O ATOM 2602 CB SER B 60 62.413 -3.267 3.740 1.00 0.00 C ATOM 2603 OG SER B 60 61.603 -3.101 4.897 1.00 0.00 O ATOM 0 H SER B 60 63.328 -3.157 1.397 1.00 0.00 H new ATOM 0 HA SER B 60 61.322 -1.701 2.784 1.00 0.00 H new ATOM 0 HB2 SER B 60 62.058 -4.113 3.151 1.00 0.00 H new ATOM 0 HB3 SER B 60 63.440 -3.489 4.030 1.00 0.00 H new ATOM 0 HG SER B 60 61.629 -3.920 5.435 1.00 0.00 H new ATOM 2609 N ASN B 61 64.393 -0.720 3.237 1.00 0.00 N ATOM 2610 CA ASN B 61 65.209 0.359 3.857 1.00 0.00 C ATOM 2611 C ASN B 61 64.784 1.661 3.206 1.00 0.00 C ATOM 2612 O ASN B 61 64.640 2.683 3.843 1.00 0.00 O ATOM 2613 CB ASN B 61 66.701 0.113 3.623 1.00 0.00 C ATOM 2614 CG ASN B 61 67.103 -1.227 4.240 1.00 0.00 C ATOM 2615 OD1 ASN B 61 67.800 -2.075 3.533 1.00 0.00 O flip ATOM 2616 ND2 ASN B 61 66.790 -1.502 5.382 1.00 0.00 N flip ATOM 0 H ASN B 61 64.874 -1.282 2.535 1.00 0.00 H new ATOM 0 HA ASN B 61 65.051 0.388 4.935 1.00 0.00 H new ATOM 0 HB2 ASN B 61 66.916 0.112 2.555 1.00 0.00 H new ATOM 0 HB3 ASN B 61 67.287 0.919 4.066 1.00 0.00 H new ATOM 0 HD21 ASN B 61 66.246 -0.840 5.935 1.00 0.00 H new ATOM 0 HD22 ASN B 61 67.072 -2.395 5.787 1.00 0.00 H new ATOM 2623 N LEU B 62 64.520 1.610 1.935 1.00 0.00 N ATOM 2624 CA LEU B 62 64.029 2.817 1.241 1.00 0.00 C ATOM 2625 C LEU B 62 62.731 3.194 1.951 1.00 0.00 C ATOM 2626 O LEU B 62 62.303 4.330 1.962 1.00 0.00 O ATOM 2627 CB LEU B 62 63.814 2.473 -0.240 1.00 0.00 C ATOM 2628 CG LEU B 62 62.864 3.456 -0.916 1.00 0.00 C ATOM 2629 CD1 LEU B 62 63.445 4.871 -0.861 1.00 0.00 C ATOM 2630 CD2 LEU B 62 62.667 3.030 -2.381 1.00 0.00 C ATOM 0 H LEU B 62 64.624 0.782 1.349 1.00 0.00 H new ATOM 0 HA LEU B 62 64.724 3.656 1.272 1.00 0.00 H new ATOM 0 HB2 LEU B 62 64.773 2.479 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU B 62 63.413 1.463 -0.324 1.00 0.00 H new ATOM 0 HG LEU B 62 61.905 3.453 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU B 62 62.759 5.565 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU B 62 63.585 5.167 0.179 1.00 0.00 H new ATOM 0 HD13 LEU B 62 64.405 4.890 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU B 62 61.989 3.726 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU B 62 63.629 3.035 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU B 62 62.243 2.026 -2.414 1.00 0.00 H new ATOM 2642 N ASP B 63 62.132 2.223 2.588 1.00 0.00 N ATOM 2643 CA ASP B 63 60.888 2.465 3.364 1.00 0.00 C ATOM 2644 C ASP B 63 61.294 2.690 4.822 1.00 0.00 C ATOM 2645 O ASP B 63 60.471 2.715 5.715 1.00 0.00 O ATOM 2646 CB ASP B 63 59.975 1.241 3.277 1.00 0.00 C ATOM 2647 CG ASP B 63 59.439 1.098 1.852 1.00 0.00 C ATOM 2648 OD1 ASP B 63 59.465 2.080 1.129 1.00 0.00 O ATOM 2649 OD2 ASP B 63 59.012 0.007 1.507 1.00 0.00 O ATOM 0 H ASP B 63 62.461 1.257 2.601 1.00 0.00 H new ATOM 0 HA ASP B 63 60.353 3.328 2.968 1.00 0.00 H new ATOM 0 HB2 ASP B 63 60.525 0.344 3.561 1.00 0.00 H new ATOM 0 HB3 ASP B 63 59.147 1.342 3.979 1.00 0.00 H new ATOM 2654 N SER B 64 62.576 2.832 5.068 1.00 0.00 N ATOM 2655 CA SER B 64 63.058 3.030 6.466 1.00 0.00 C ATOM 2656 C SER B 64 62.409 4.277 7.066 1.00 0.00 C ATOM 2657 O SER B 64 62.439 5.343 6.483 1.00 0.00 O ATOM 2658 CB SER B 64 64.574 3.232 6.469 1.00 0.00 C ATOM 2659 OG SER B 64 65.011 3.461 7.801 1.00 0.00 O ATOM 0 H SER B 64 63.307 2.819 4.357 1.00 0.00 H new ATOM 0 HA SER B 64 62.795 2.149 7.052 1.00 0.00 H new ATOM 0 HB2 SER B 64 65.071 2.354 6.056 1.00 0.00 H new ATOM 0 HB3 SER B 64 64.842 4.077 5.835 1.00 0.00 H new ATOM 0 HG SER B 64 65.855 2.988 7.954 1.00 0.00 H new ATOM 2665 N ASN B 65 61.834 4.163 8.231 1.00 0.00 N ATOM 2666 CA ASN B 65 61.201 5.354 8.864 1.00 0.00 C ATOM 2667 C ASN B 65 62.274 6.225 9.528 1.00 0.00 C ATOM 2668 O ASN B 65 62.322 7.425 9.336 1.00 0.00 O ATOM 2669 CB ASN B 65 60.199 4.894 9.926 1.00 0.00 C ATOM 2670 CG ASN B 65 59.038 4.154 9.258 1.00 0.00 C ATOM 2671 OD1 ASN B 65 58.862 4.259 7.969 1.00 0.00 O flip ATOM 2672 ND2 ASN B 65 58.281 3.470 9.918 1.00 0.00 N flip ATOM 0 H ASN B 65 61.775 3.300 8.771 1.00 0.00 H new ATOM 0 HA ASN B 65 60.688 5.935 8.098 1.00 0.00 H new ATOM 0 HB2 ASN B 65 60.692 4.241 10.646 1.00 0.00 H new ATOM 0 HB3 ASN B 65 59.823 5.754 10.481 1.00 0.00 H new ATOM 0 HD21 ASN B 65 58.416 3.386 10.926 1.00 0.00 H new ATOM 0 HD22 ASN B 65 57.510 2.980 9.465 1.00 0.00 H new ATOM 2679 N ARG B 66 63.122 5.630 10.326 1.00 0.00 N ATOM 2680 CA ARG B 66 64.178 6.422 11.024 1.00 0.00 C ATOM 2681 C ARG B 66 65.239 6.925 10.035 1.00 0.00 C ATOM 2682 O ARG B 66 65.734 8.028 10.163 1.00 0.00 O ATOM 2683 CB ARG B 66 64.838 5.557 12.106 1.00 0.00 C ATOM 2684 CG ARG B 66 65.610 4.406 11.463 1.00 0.00 C ATOM 2685 CD ARG B 66 66.104 3.460 12.561 1.00 0.00 C ATOM 2686 NE ARG B 66 67.089 2.483 11.988 1.00 0.00 N ATOM 2687 CZ ARG B 66 66.784 1.714 10.978 1.00 0.00 C ATOM 2688 NH1 ARG B 66 65.552 1.616 10.564 1.00 0.00 N ATOM 2689 NH2 ARG B 66 67.715 0.991 10.417 1.00 0.00 N ATOM 0 H ARG B 66 63.129 4.630 10.525 1.00 0.00 H new ATOM 0 HA ARG B 66 63.709 7.291 11.485 1.00 0.00 H new ATOM 0 HB2 ARG B 66 65.513 6.166 12.707 1.00 0.00 H new ATOM 0 HB3 ARG B 66 64.078 5.163 12.781 1.00 0.00 H new ATOM 0 HG2 ARG B 66 64.970 3.868 10.763 1.00 0.00 H new ATOM 0 HG3 ARG B 66 66.454 4.792 10.891 1.00 0.00 H new ATOM 0 HD2 ARG B 66 66.570 4.032 13.363 1.00 0.00 H new ATOM 0 HD3 ARG B 66 65.261 2.925 12.999 1.00 0.00 H new ATOM 0 HE ARG B 66 68.021 2.418 12.398 1.00 0.00 H new ATOM 0 HH11 ARG B 66 64.814 2.143 11.030 1.00 0.00 H new ATOM 0 HH12 ARG B 66 65.326 1.012 9.774 1.00 0.00 H new ATOM 0 HH21 ARG B 66 68.672 1.030 10.768 1.00 0.00 H new ATOM 0 HH22 ARG B 66 67.486 0.387 9.627 1.00 0.00 H new ATOM 2703 N ASP B 67 65.605 6.136 9.056 1.00 0.00 N ATOM 2704 CA ASP B 67 66.647 6.596 8.082 1.00 0.00 C ATOM 2705 C ASP B 67 65.979 7.335 6.923 1.00 0.00 C ATOM 2706 O ASP B 67 65.301 6.742 6.107 1.00 0.00 O ATOM 2707 CB ASP B 67 67.412 5.391 7.530 1.00 0.00 C ATOM 2708 CG ASP B 67 68.561 5.885 6.647 1.00 0.00 C ATOM 2709 OD1 ASP B 67 68.656 7.085 6.449 1.00 0.00 O ATOM 2710 OD2 ASP B 67 69.329 5.055 6.190 1.00 0.00 O ATOM 0 H ASP B 67 65.233 5.201 8.888 1.00 0.00 H new ATOM 0 HA ASP B 67 67.339 7.264 8.595 1.00 0.00 H new ATOM 0 HB2 ASP B 67 67.801 4.786 8.349 1.00 0.00 H new ATOM 0 HB3 ASP B 67 66.742 4.753 6.953 1.00 0.00 H new ATOM 2715 N ASN B 68 66.167 8.630 6.845 1.00 0.00 N ATOM 2716 CA ASN B 68 65.550 9.430 5.740 1.00 0.00 C ATOM 2717 C ASN B 68 66.630 9.891 4.751 1.00 0.00 C ATOM 2718 O ASN B 68 66.323 10.266 3.637 1.00 0.00 O ATOM 2719 CB ASN B 68 64.856 10.660 6.334 1.00 0.00 C ATOM 2720 CG ASN B 68 63.637 10.223 7.151 1.00 0.00 C ATOM 2721 OD1 ASN B 68 62.825 9.323 6.667 1.00 0.00 O flip ATOM 2722 ND2 ASN B 68 63.419 10.710 8.244 1.00 0.00 N flip ATOM 0 H ASN B 68 66.726 9.171 7.505 1.00 0.00 H new ATOM 0 HA ASN B 68 64.826 8.808 5.214 1.00 0.00 H new ATOM 0 HB2 ASN B 68 65.551 11.211 6.967 1.00 0.00 H new ATOM 0 HB3 ASN B 68 64.548 11.336 5.536 1.00 0.00 H new ATOM 0 HD21 ASN B 68 64.052 11.413 8.624 1.00 0.00 H new ATOM 0 HD22 ASN B 68 62.603 10.415 8.780 1.00 0.00 H new ATOM 2729 N GLU B 69 67.887 9.892 5.151 1.00 0.00 N ATOM 2730 CA GLU B 69 68.982 10.364 4.229 1.00 0.00 C ATOM 2731 C GLU B 69 70.073 9.286 4.074 1.00 0.00 C ATOM 2732 O GLU B 69 70.207 8.400 4.891 1.00 0.00 O ATOM 2733 CB GLU B 69 69.596 11.650 4.812 1.00 0.00 C ATOM 2734 CG GLU B 69 70.228 12.486 3.696 1.00 0.00 C ATOM 2735 CD GLU B 69 70.689 13.831 4.266 1.00 0.00 C ATOM 2736 OE1 GLU B 69 70.774 13.942 5.478 1.00 0.00 O ATOM 2737 OE2 GLU B 69 70.935 14.732 3.480 1.00 0.00 O ATOM 0 H GLU B 69 68.201 9.588 6.072 1.00 0.00 H new ATOM 0 HA GLU B 69 68.561 10.560 3.243 1.00 0.00 H new ATOM 0 HB2 GLU B 69 68.827 12.231 5.321 1.00 0.00 H new ATOM 0 HB3 GLU B 69 70.349 11.397 5.558 1.00 0.00 H new ATOM 0 HG2 GLU B 69 71.074 11.953 3.262 1.00 0.00 H new ATOM 0 HG3 GLU B 69 69.507 12.646 2.894 1.00 0.00 H new ATOM 2744 N VAL B 70 70.858 9.374 3.019 1.00 0.00 N ATOM 2745 CA VAL B 70 71.956 8.377 2.777 1.00 0.00 C ATOM 2746 C VAL B 70 73.296 9.067 2.987 1.00 0.00 C ATOM 2747 O VAL B 70 73.752 9.829 2.158 1.00 0.00 O ATOM 2748 CB VAL B 70 71.871 7.883 1.326 1.00 0.00 C ATOM 2749 CG1 VAL B 70 72.522 6.510 1.195 1.00 0.00 C ATOM 2750 CG2 VAL B 70 70.410 7.786 0.909 1.00 0.00 C ATOM 0 H VAL B 70 70.783 10.102 2.309 1.00 0.00 H new ATOM 0 HA VAL B 70 71.856 7.535 3.462 1.00 0.00 H new ATOM 0 HB VAL B 70 72.396 8.589 0.682 1.00 0.00 H new ATOM 0 HG11 VAL B 70 72.454 6.172 0.161 1.00 0.00 H new ATOM 0 HG12 VAL B 70 73.570 6.575 1.488 1.00 0.00 H new ATOM 0 HG13 VAL B 70 72.008 5.800 1.843 1.00 0.00 H new ATOM 0 HG21 VAL B 70 70.348 7.435 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL B 70 69.891 7.085 1.563 1.00 0.00 H new ATOM 0 HG23 VAL B 70 69.944 8.768 0.987 1.00 0.00 H new ATOM 2760 N ASP B 71 73.944 8.774 4.065 1.00 0.00 N ATOM 2761 CA ASP B 71 75.275 9.380 4.298 1.00 0.00 C ATOM 2762 C ASP B 71 76.243 8.634 3.400 1.00 0.00 C ATOM 2763 O ASP B 71 75.943 7.549 2.943 1.00 0.00 O ATOM 2764 CB ASP B 71 75.695 9.201 5.761 1.00 0.00 C ATOM 2765 CG ASP B 71 74.684 9.885 6.681 1.00 0.00 C ATOM 2766 OD1 ASP B 71 74.331 11.016 6.402 1.00 0.00 O ATOM 2767 OD2 ASP B 71 74.285 9.266 7.654 1.00 0.00 O ATOM 0 H ASP B 71 73.614 8.143 4.796 1.00 0.00 H new ATOM 0 HA ASP B 71 75.261 10.448 4.083 1.00 0.00 H new ATOM 0 HB2 ASP B 71 75.760 8.140 6.002 1.00 0.00 H new ATOM 0 HB3 ASP B 71 76.687 9.625 5.918 1.00 0.00 H new ATOM 2772 N PHE B 72 77.397 9.167 3.130 1.00 0.00 N ATOM 2773 CA PHE B 72 78.332 8.423 2.258 1.00 0.00 C ATOM 2774 C PHE B 72 78.496 7.024 2.858 1.00 0.00 C ATOM 2775 O PHE B 72 78.654 6.044 2.157 1.00 0.00 O ATOM 2776 CB PHE B 72 79.678 9.144 2.218 1.00 0.00 C ATOM 2777 CG PHE B 72 80.521 8.538 1.132 1.00 0.00 C ATOM 2778 CD1 PHE B 72 81.301 7.410 1.397 1.00 0.00 C ATOM 2779 CD2 PHE B 72 80.515 9.102 -0.147 1.00 0.00 C ATOM 2780 CE1 PHE B 72 82.076 6.843 0.383 1.00 0.00 C ATOM 2781 CE2 PHE B 72 81.291 8.537 -1.162 1.00 0.00 C ATOM 2782 CZ PHE B 72 82.073 7.406 -0.899 1.00 0.00 C ATOM 0 H PHE B 72 77.727 10.070 3.470 1.00 0.00 H new ATOM 0 HA PHE B 72 77.952 8.358 1.239 1.00 0.00 H new ATOM 0 HB2 PHE B 72 79.531 10.208 2.032 1.00 0.00 H new ATOM 0 HB3 PHE B 72 80.182 9.056 3.180 1.00 0.00 H new ATOM 0 HD1 PHE B 72 81.305 6.976 2.386 1.00 0.00 H new ATOM 0 HD2 PHE B 72 79.911 9.974 -0.350 1.00 0.00 H new ATOM 0 HE1 PHE B 72 82.678 5.970 0.588 1.00 0.00 H new ATOM 0 HE2 PHE B 72 81.288 8.973 -2.150 1.00 0.00 H new ATOM 0 HZ PHE B 72 82.673 6.969 -1.683 1.00 0.00 H new ATOM 2792 N GLN B 73 78.436 6.936 4.160 1.00 0.00 N ATOM 2793 CA GLN B 73 78.562 5.617 4.835 1.00 0.00 C ATOM 2794 C GLN B 73 77.314 4.757 4.564 1.00 0.00 C ATOM 2795 O GLN B 73 77.422 3.566 4.360 1.00 0.00 O ATOM 2796 CB GLN B 73 78.705 5.830 6.347 1.00 0.00 C ATOM 2797 CG GLN B 73 78.863 4.479 7.055 1.00 0.00 C ATOM 2798 CD GLN B 73 79.006 4.705 8.561 1.00 0.00 C ATOM 2799 OE1 GLN B 73 79.186 5.821 9.007 1.00 0.00 O ATOM 2800 NE2 GLN B 73 78.916 3.686 9.372 1.00 0.00 N ATOM 0 H GLN B 73 78.304 7.729 4.787 1.00 0.00 H new ATOM 0 HA GLN B 73 79.441 5.105 4.445 1.00 0.00 H new ATOM 0 HB2 GLN B 73 79.569 6.461 6.553 1.00 0.00 H new ATOM 0 HB3 GLN B 73 77.830 6.352 6.733 1.00 0.00 H new ATOM 0 HG2 GLN B 73 77.999 3.847 6.852 1.00 0.00 H new ATOM 0 HG3 GLN B 73 79.738 3.955 6.671 1.00 0.00 H new ATOM 0 HE21 GLN B 73 78.765 2.749 8.999 1.00 0.00 H new ATOM 0 HE22 GLN B 73 78.997 3.827 10.379 1.00 0.00 H new ATOM 2809 N GLU B 74 76.124 5.327 4.572 1.00 0.00 N ATOM 2810 CA GLU B 74 74.921 4.488 4.332 1.00 0.00 C ATOM 2811 C GLU B 74 74.912 4.008 2.889 1.00 0.00 C ATOM 2812 O GLU B 74 74.535 2.890 2.599 1.00 0.00 O ATOM 2813 CB GLU B 74 73.655 5.286 4.644 1.00 0.00 C ATOM 2814 CG GLU B 74 73.566 5.502 6.158 1.00 0.00 C ATOM 2815 CD GLU B 74 72.306 6.301 6.496 1.00 0.00 C ATOM 2816 OE1 GLU B 74 71.571 6.622 5.580 1.00 0.00 O ATOM 2817 OE2 GLU B 74 72.094 6.568 7.666 1.00 0.00 O ATOM 0 H GLU B 74 75.946 6.319 4.732 1.00 0.00 H new ATOM 0 HA GLU B 74 74.949 3.619 4.989 1.00 0.00 H new ATOM 0 HB2 GLU B 74 73.677 6.245 4.127 1.00 0.00 H new ATOM 0 HB3 GLU B 74 72.775 4.751 4.287 1.00 0.00 H new ATOM 0 HG2 GLU B 74 73.546 4.540 6.671 1.00 0.00 H new ATOM 0 HG3 GLU B 74 74.450 6.033 6.511 1.00 0.00 H new ATOM 2824 N TYR B 75 75.336 4.832 1.980 1.00 0.00 N ATOM 2825 CA TYR B 75 75.357 4.397 0.565 1.00 0.00 C ATOM 2826 C TYR B 75 76.271 3.170 0.450 1.00 0.00 C ATOM 2827 O TYR B 75 75.977 2.219 -0.244 1.00 0.00 O ATOM 2828 CB TYR B 75 75.900 5.536 -0.301 1.00 0.00 C ATOM 2829 CG TYR B 75 75.993 5.088 -1.744 1.00 0.00 C ATOM 2830 CD1 TYR B 75 74.833 4.736 -2.446 1.00 0.00 C ATOM 2831 CD2 TYR B 75 77.241 5.034 -2.384 1.00 0.00 C ATOM 2832 CE1 TYR B 75 74.922 4.331 -3.784 1.00 0.00 C ATOM 2833 CE2 TYR B 75 77.327 4.628 -3.719 1.00 0.00 C ATOM 2834 CZ TYR B 75 76.168 4.277 -4.420 1.00 0.00 C ATOM 2835 OH TYR B 75 76.254 3.879 -5.738 1.00 0.00 O ATOM 0 H TYR B 75 75.667 5.781 2.154 1.00 0.00 H new ATOM 0 HA TYR B 75 74.353 4.141 0.227 1.00 0.00 H new ATOM 0 HB2 TYR B 75 75.248 6.406 -0.223 1.00 0.00 H new ATOM 0 HB3 TYR B 75 76.883 5.841 0.058 1.00 0.00 H new ATOM 0 HD1 TYR B 75 73.871 4.777 -1.956 1.00 0.00 H new ATOM 0 HD2 TYR B 75 78.136 5.306 -1.844 1.00 0.00 H new ATOM 0 HE1 TYR B 75 74.028 4.060 -4.326 1.00 0.00 H new ATOM 0 HE2 TYR B 75 78.288 4.585 -4.209 1.00 0.00 H new ATOM 0 HH TYR B 75 76.645 4.601 -6.273 1.00 0.00 H new ATOM 2845 N CYS B 76 77.371 3.190 1.155 1.00 0.00 N ATOM 2846 CA CYS B 76 78.320 2.042 1.140 1.00 0.00 C ATOM 2847 C CYS B 76 77.687 0.873 1.882 1.00 0.00 C ATOM 2848 O CYS B 76 77.799 -0.266 1.472 1.00 0.00 O ATOM 2849 CB CYS B 76 79.625 2.438 1.836 1.00 0.00 C ATOM 2850 SG CYS B 76 80.245 3.983 1.125 1.00 0.00 S ATOM 0 H CYS B 76 77.655 3.968 1.750 1.00 0.00 H new ATOM 0 HA CYS B 76 78.537 1.759 0.110 1.00 0.00 H new ATOM 0 HB2 CYS B 76 79.456 2.560 2.906 1.00 0.00 H new ATOM 0 HB3 CYS B 76 80.367 1.648 1.718 1.00 0.00 H new ATOM 0 HG CYS B 76 79.397 4.940 1.360 1.00 0.00 H new ATOM 2856 N VAL B 77 77.007 1.135 2.968 1.00 0.00 N ATOM 2857 CA VAL B 77 76.370 0.014 3.698 1.00 0.00 C ATOM 2858 C VAL B 77 75.396 -0.645 2.736 1.00 0.00 C ATOM 2859 O VAL B 77 75.288 -1.854 2.674 1.00 0.00 O ATOM 2860 CB VAL B 77 75.613 0.539 4.925 1.00 0.00 C ATOM 2861 CG1 VAL B 77 74.758 -0.587 5.524 1.00 0.00 C ATOM 2862 CG2 VAL B 77 76.615 1.053 5.974 1.00 0.00 C ATOM 0 H VAL B 77 76.870 2.062 3.371 1.00 0.00 H new ATOM 0 HA VAL B 77 77.121 -0.695 4.046 1.00 0.00 H new ATOM 0 HB VAL B 77 74.962 1.360 4.624 1.00 0.00 H new ATOM 0 HG11 VAL B 77 74.221 -0.212 6.395 1.00 0.00 H new ATOM 0 HG12 VAL B 77 74.042 -0.936 4.779 1.00 0.00 H new ATOM 0 HG13 VAL B 77 75.403 -1.414 5.823 1.00 0.00 H new ATOM 0 HG21 VAL B 77 76.073 1.425 6.843 1.00 0.00 H new ATOM 0 HG22 VAL B 77 77.273 0.239 6.278 1.00 0.00 H new ATOM 0 HG23 VAL B 77 77.209 1.860 5.545 1.00 0.00 H new ATOM 2872 N PHE B 78 74.696 0.140 1.961 1.00 0.00 N ATOM 2873 CA PHE B 78 73.759 -0.464 0.990 1.00 0.00 C ATOM 2874 C PHE B 78 74.571 -1.173 -0.095 1.00 0.00 C ATOM 2875 O PHE B 78 74.232 -2.260 -0.506 1.00 0.00 O ATOM 2876 CB PHE B 78 72.857 0.609 0.364 1.00 0.00 C ATOM 2877 CG PHE B 78 71.855 1.109 1.391 1.00 0.00 C ATOM 2878 CD1 PHE B 78 70.926 0.223 1.959 1.00 0.00 C ATOM 2879 CD2 PHE B 78 71.849 2.459 1.772 1.00 0.00 C ATOM 2880 CE1 PHE B 78 70.002 0.687 2.902 1.00 0.00 C ATOM 2881 CE2 PHE B 78 70.922 2.920 2.715 1.00 0.00 C ATOM 2882 CZ PHE B 78 70.000 2.034 3.280 1.00 0.00 C ATOM 0 H PHE B 78 74.736 1.159 1.962 1.00 0.00 H new ATOM 0 HA PHE B 78 73.117 -1.180 1.502 1.00 0.00 H new ATOM 0 HB2 PHE B 78 73.463 1.439 0.001 1.00 0.00 H new ATOM 0 HB3 PHE B 78 72.332 0.197 -0.498 1.00 0.00 H new ATOM 0 HD1 PHE B 78 70.924 -0.817 1.668 1.00 0.00 H new ATOM 0 HD2 PHE B 78 72.561 3.145 1.337 1.00 0.00 H new ATOM 0 HE1 PHE B 78 69.289 0.004 3.339 1.00 0.00 H new ATOM 0 HE2 PHE B 78 70.919 3.960 3.006 1.00 0.00 H new ATOM 0 HZ PHE B 78 69.286 2.389 4.008 1.00 0.00 H new ATOM 2892 N LEU B 79 75.668 -0.604 -0.545 1.00 0.00 N ATOM 2893 CA LEU B 79 76.470 -1.338 -1.577 1.00 0.00 C ATOM 2894 C LEU B 79 77.071 -2.583 -0.929 1.00 0.00 C ATOM 2895 O LEU B 79 77.120 -3.644 -1.519 1.00 0.00 O ATOM 2896 CB LEU B 79 77.599 -0.468 -2.151 1.00 0.00 C ATOM 2897 CG LEU B 79 77.041 0.645 -3.053 1.00 0.00 C ATOM 2898 CD1 LEU B 79 78.215 1.498 -3.560 1.00 0.00 C ATOM 2899 CD2 LEU B 79 76.289 0.036 -4.261 1.00 0.00 C ATOM 0 H LEU B 79 76.032 0.304 -0.255 1.00 0.00 H new ATOM 0 HA LEU B 79 75.809 -1.606 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU B 79 78.171 -0.026 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU B 79 78.287 -1.091 -2.722 1.00 0.00 H new ATOM 0 HG LEU B 79 76.343 1.258 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU B 79 77.836 2.293 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU B 79 78.740 1.936 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU B 79 78.903 0.870 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU B 79 75.900 0.837 -4.889 1.00 0.00 H new ATOM 0 HD22 LEU B 79 76.974 -0.581 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU B 79 75.462 -0.578 -3.903 1.00 0.00 H new ATOM 2911 N SER B 80 77.521 -2.459 0.286 1.00 0.00 N ATOM 2912 CA SER B 80 78.112 -3.629 0.988 1.00 0.00 C ATOM 2913 C SER B 80 76.996 -4.623 1.260 1.00 0.00 C ATOM 2914 O SER B 80 77.151 -5.818 1.099 1.00 0.00 O ATOM 2915 CB SER B 80 78.729 -3.175 2.312 1.00 0.00 C ATOM 2916 OG SER B 80 77.693 -2.930 3.253 1.00 0.00 O ATOM 0 H SER B 80 77.505 -1.594 0.826 1.00 0.00 H new ATOM 0 HA SER B 80 78.890 -4.087 0.377 1.00 0.00 H new ATOM 0 HB2 SER B 80 79.407 -3.939 2.691 1.00 0.00 H new ATOM 0 HB3 SER B 80 79.320 -2.271 2.160 1.00 0.00 H new ATOM 0 HG SER B 80 76.954 -2.462 2.811 1.00 0.00 H new ATOM 2922 N CYS B 81 75.853 -4.126 1.635 1.00 0.00 N ATOM 2923 CA CYS B 81 74.702 -5.023 1.881 1.00 0.00 C ATOM 2924 C CYS B 81 74.410 -5.752 0.579 1.00 0.00 C ATOM 2925 O CYS B 81 74.055 -6.914 0.567 1.00 0.00 O ATOM 2926 CB CYS B 81 73.481 -4.196 2.297 1.00 0.00 C ATOM 2927 SG CYS B 81 72.112 -5.304 2.720 1.00 0.00 S ATOM 0 H CYS B 81 75.669 -3.133 1.781 1.00 0.00 H new ATOM 0 HA CYS B 81 74.926 -5.731 2.679 1.00 0.00 H new ATOM 0 HB2 CYS B 81 73.730 -3.566 3.151 1.00 0.00 H new ATOM 0 HB3 CYS B 81 73.186 -3.531 1.486 1.00 0.00 H new ATOM 0 HG CYS B 81 71.078 -4.600 3.075 1.00 0.00 H new ATOM 2933 N ILE B 82 74.573 -5.074 -0.528 1.00 0.00 N ATOM 2934 CA ILE B 82 74.318 -5.741 -1.838 1.00 0.00 C ATOM 2935 C ILE B 82 75.410 -6.783 -2.094 1.00 0.00 C ATOM 2936 O ILE B 82 75.145 -7.864 -2.582 1.00 0.00 O ATOM 2937 CB ILE B 82 74.300 -4.699 -2.970 1.00 0.00 C ATOM 2938 CG1 ILE B 82 73.001 -3.883 -2.878 1.00 0.00 C ATOM 2939 CG2 ILE B 82 74.385 -5.396 -4.343 1.00 0.00 C ATOM 2940 CD1 ILE B 82 73.081 -2.677 -3.818 1.00 0.00 C ATOM 0 H ILE B 82 74.868 -4.099 -0.581 1.00 0.00 H new ATOM 0 HA ILE B 82 73.347 -6.235 -1.810 1.00 0.00 H new ATOM 0 HB ILE B 82 75.160 -4.038 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE B 82 72.148 -4.508 -3.144 1.00 0.00 H new ATOM 0 HG13 ILE B 82 72.843 -3.547 -1.853 1.00 0.00 H new ATOM 0 HG21 ILE B 82 74.371 -4.646 -5.133 1.00 0.00 H new ATOM 0 HG22 ILE B 82 75.310 -5.970 -4.403 1.00 0.00 H new ATOM 0 HG23 ILE B 82 73.534 -6.066 -4.464 1.00 0.00 H new ATOM 0 HD11 ILE B 82 72.158 -2.101 -3.750 1.00 0.00 H new ATOM 0 HD12 ILE B 82 73.924 -2.048 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE B 82 73.218 -3.023 -4.843 1.00 0.00 H new ATOM 2952 N ALA B 83 76.632 -6.471 -1.768 1.00 0.00 N ATOM 2953 CA ALA B 83 77.728 -7.453 -1.992 1.00 0.00 C ATOM 2954 C ALA B 83 77.487 -8.690 -1.134 1.00 0.00 C ATOM 2955 O ALA B 83 77.586 -9.804 -1.594 1.00 0.00 O ATOM 2956 CB ALA B 83 79.063 -6.832 -1.602 1.00 0.00 C ATOM 0 H ALA B 83 76.919 -5.582 -1.358 1.00 0.00 H new ATOM 0 HA ALA B 83 77.747 -7.731 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA B 83 79.862 -7.554 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA B 83 79.243 -5.945 -2.210 1.00 0.00 H new ATOM 0 HB3 ALA B 83 79.040 -6.551 -0.549 1.00 0.00 H new ATOM 2962 N MET B 84 77.169 -8.509 0.114 1.00 0.00 N ATOM 2963 CA MET B 84 76.923 -9.691 0.981 1.00 0.00 C ATOM 2964 C MET B 84 75.674 -10.400 0.489 1.00 0.00 C ATOM 2965 O MET B 84 75.583 -11.611 0.516 1.00 0.00 O ATOM 2966 CB MET B 84 76.760 -9.242 2.431 1.00 0.00 C ATOM 2967 CG MET B 84 78.116 -8.765 2.955 1.00 0.00 C ATOM 2968 SD MET B 84 77.948 -8.227 4.674 1.00 0.00 S ATOM 2969 CE MET B 84 76.877 -6.801 4.365 1.00 0.00 C ATOM 0 H MET B 84 77.069 -7.602 0.569 1.00 0.00 H new ATOM 0 HA MET B 84 77.767 -10.379 0.934 1.00 0.00 H new ATOM 0 HB2 MET B 84 76.026 -8.439 2.497 1.00 0.00 H new ATOM 0 HB3 MET B 84 76.388 -10.065 3.041 1.00 0.00 H new ATOM 0 HG2 MET B 84 78.848 -9.570 2.885 1.00 0.00 H new ATOM 0 HG3 MET B 84 78.486 -7.944 2.341 1.00 0.00 H new ATOM 0 HE1 MET B 84 76.955 -6.100 5.196 1.00 0.00 H new ATOM 0 HE2 MET B 84 77.186 -6.307 3.444 1.00 0.00 H new ATOM 0 HE3 MET B 84 75.844 -7.136 4.268 1.00 0.00 H new ATOM 2979 N MET B 85 74.720 -9.661 0.006 1.00 0.00 N ATOM 2980 CA MET B 85 73.500 -10.309 -0.519 1.00 0.00 C ATOM 2981 C MET B 85 73.930 -11.226 -1.658 1.00 0.00 C ATOM 2982 O MET B 85 73.351 -12.271 -1.879 1.00 0.00 O ATOM 2983 CB MET B 85 72.519 -9.250 -1.035 1.00 0.00 C ATOM 2984 CG MET B 85 71.243 -9.935 -1.532 1.00 0.00 C ATOM 2985 SD MET B 85 70.078 -8.688 -2.144 1.00 0.00 S ATOM 2986 CE MET B 85 71.030 -8.132 -3.580 1.00 0.00 C ATOM 0 H MET B 85 74.735 -8.642 -0.046 1.00 0.00 H new ATOM 0 HA MET B 85 72.997 -10.876 0.264 1.00 0.00 H new ATOM 0 HB2 MET B 85 72.279 -8.543 -0.241 1.00 0.00 H new ATOM 0 HB3 MET B 85 72.976 -8.679 -1.843 1.00 0.00 H new ATOM 0 HG2 MET B 85 71.484 -10.642 -2.326 1.00 0.00 H new ATOM 0 HG3 MET B 85 70.787 -10.507 -0.724 1.00 0.00 H new ATOM 0 HE1 MET B 85 70.369 -7.620 -4.279 1.00 0.00 H new ATOM 0 HE2 MET B 85 71.814 -7.448 -3.254 1.00 0.00 H new ATOM 0 HE3 MET B 85 71.482 -8.993 -4.073 1.00 0.00 H new ATOM 2996 N CYS B 86 74.961 -10.852 -2.377 1.00 0.00 N ATOM 2997 CA CYS B 86 75.429 -11.728 -3.486 1.00 0.00 C ATOM 2998 C CYS B 86 76.773 -11.230 -4.019 1.00 0.00 C ATOM 2999 O CYS B 86 76.859 -10.673 -5.096 1.00 0.00 O ATOM 3000 CB CYS B 86 74.392 -11.732 -4.612 1.00 0.00 C ATOM 3001 SG CYS B 86 74.036 -10.031 -5.117 1.00 0.00 S ATOM 0 H CYS B 86 75.489 -9.990 -2.244 1.00 0.00 H new ATOM 0 HA CYS B 86 75.555 -12.743 -3.108 1.00 0.00 H new ATOM 0 HB2 CYS B 86 74.765 -12.304 -5.462 1.00 0.00 H new ATOM 0 HB3 CYS B 86 73.478 -12.221 -4.276 1.00 0.00 H new ATOM 0 HG CYS B 86 75.152 -9.395 -5.315 1.00 0.00 H new ATOM 3007 N ASN B 87 77.822 -11.431 -3.273 1.00 0.00 N ATOM 3008 CA ASN B 87 79.164 -10.974 -3.733 1.00 0.00 C ATOM 3009 C ASN B 87 79.609 -11.830 -4.916 1.00 0.00 C ATOM 3010 O ASN B 87 79.909 -11.327 -5.982 1.00 0.00 O ATOM 3011 CB ASN B 87 80.168 -11.128 -2.587 1.00 0.00 C ATOM 3012 CG ASN B 87 81.506 -10.504 -2.989 1.00 0.00 C ATOM 3013 OD1 ASN B 87 81.546 -9.406 -3.508 1.00 0.00 O ATOM 3014 ND2 ASN B 87 82.612 -11.162 -2.767 1.00 0.00 N ATOM 0 H ASN B 87 77.809 -11.892 -2.363 1.00 0.00 H new ATOM 0 HA ASN B 87 79.114 -9.929 -4.038 1.00 0.00 H new ATOM 0 HB2 ASN B 87 79.786 -10.645 -1.688 1.00 0.00 H new ATOM 0 HB3 ASN B 87 80.304 -12.183 -2.349 1.00 0.00 H new ATOM 0 HD21 ASN B 87 83.509 -10.754 -3.029 1.00 0.00 H new ATOM 0 HD22 ASN B 87 82.578 -12.084 -2.331 1.00 0.00 H new ATOM 3021 N GLU B 88 79.642 -13.126 -4.740 1.00 0.00 N ATOM 3022 CA GLU B 88 80.054 -14.033 -5.853 1.00 0.00 C ATOM 3023 C GLU B 88 78.808 -14.628 -6.504 1.00 0.00 C ATOM 3024 O GLU B 88 78.143 -15.470 -5.934 1.00 0.00 O ATOM 3025 CB GLU B 88 80.916 -15.163 -5.291 1.00 0.00 C ATOM 3026 CG GLU B 88 82.266 -14.598 -4.847 1.00 0.00 C ATOM 3027 CD GLU B 88 83.110 -15.716 -4.235 1.00 0.00 C ATOM 3028 OE1 GLU B 88 82.882 -16.040 -3.082 1.00 0.00 O ATOM 3029 OE2 GLU B 88 83.971 -16.230 -4.931 1.00 0.00 O ATOM 0 H GLU B 88 79.400 -13.597 -3.868 1.00 0.00 H new ATOM 0 HA GLU B 88 80.623 -13.470 -6.593 1.00 0.00 H new ATOM 0 HB2 GLU B 88 80.412 -15.635 -4.448 1.00 0.00 H new ATOM 0 HB3 GLU B 88 81.063 -15.934 -6.047 1.00 0.00 H new ATOM 0 HG2 GLU B 88 82.786 -14.159 -5.698 1.00 0.00 H new ATOM 0 HG3 GLU B 88 82.117 -13.800 -4.119 1.00 0.00 H new ATOM 3036 N PHE B 89 78.489 -14.211 -7.698 1.00 0.00 N ATOM 3037 CA PHE B 89 77.289 -14.765 -8.390 1.00 0.00 C ATOM 3038 C PHE B 89 76.106 -14.795 -7.419 1.00 0.00 C ATOM 3039 O PHE B 89 75.963 -13.933 -6.578 1.00 0.00 O ATOM 3040 CB PHE B 89 77.607 -16.183 -8.864 1.00 0.00 C ATOM 3041 CG PHE B 89 78.803 -16.127 -9.780 1.00 0.00 C ATOM 3042 CD1 PHE B 89 78.626 -15.909 -11.150 1.00 0.00 C ATOM 3043 CD2 PHE B 89 80.091 -16.279 -9.254 1.00 0.00 C ATOM 3044 CE1 PHE B 89 79.739 -15.844 -11.997 1.00 0.00 C ATOM 3045 CE2 PHE B 89 81.203 -16.216 -10.099 1.00 0.00 C ATOM 3046 CZ PHE B 89 81.028 -15.998 -11.472 1.00 0.00 C ATOM 0 H PHE B 89 79.008 -13.509 -8.226 1.00 0.00 H new ATOM 0 HA PHE B 89 77.029 -14.140 -9.245 1.00 0.00 H new ATOM 0 HB2 PHE B 89 77.814 -16.830 -8.011 1.00 0.00 H new ATOM 0 HB3 PHE B 89 76.750 -16.608 -9.386 1.00 0.00 H new ATOM 0 HD1 PHE B 89 77.632 -15.791 -11.554 1.00 0.00 H new ATOM 0 HD2 PHE B 89 80.226 -16.445 -8.195 1.00 0.00 H new ATOM 0 HE1 PHE B 89 79.603 -15.675 -13.055 1.00 0.00 H new ATOM 0 HE2 PHE B 89 82.197 -16.335 -9.694 1.00 0.00 H new ATOM 0 HZ PHE B 89 81.887 -15.949 -12.125 1.00 0.00 H new ATOM 3056 N PHE B 90 75.265 -15.790 -7.517 1.00 0.00 N ATOM 3057 CA PHE B 90 74.095 -15.890 -6.592 1.00 0.00 C ATOM 3058 C PHE B 90 74.464 -16.797 -5.414 1.00 0.00 C ATOM 3059 O PHE B 90 73.669 -17.035 -4.527 1.00 0.00 O ATOM 3060 CB PHE B 90 72.912 -16.490 -7.350 1.00 0.00 C ATOM 3061 CG PHE B 90 73.334 -17.804 -7.960 1.00 0.00 C ATOM 3062 CD1 PHE B 90 73.944 -17.826 -9.219 1.00 0.00 C ATOM 3063 CD2 PHE B 90 73.126 -18.999 -7.262 1.00 0.00 C ATOM 3064 CE1 PHE B 90 74.345 -19.042 -9.782 1.00 0.00 C ATOM 3065 CE2 PHE B 90 73.528 -20.217 -7.824 1.00 0.00 C ATOM 3066 CZ PHE B 90 74.137 -20.238 -9.084 1.00 0.00 C ATOM 0 H PHE B 90 75.338 -16.543 -8.202 1.00 0.00 H new ATOM 0 HA PHE B 90 73.827 -14.901 -6.219 1.00 0.00 H new ATOM 0 HB2 PHE B 90 72.070 -16.642 -6.674 1.00 0.00 H new ATOM 0 HB3 PHE B 90 72.577 -15.804 -8.128 1.00 0.00 H new ATOM 0 HD1 PHE B 90 74.105 -16.903 -9.757 1.00 0.00 H new ATOM 0 HD2 PHE B 90 72.656 -18.982 -6.290 1.00 0.00 H new ATOM 0 HE1 PHE B 90 74.815 -19.058 -10.754 1.00 0.00 H new ATOM 0 HE2 PHE B 90 73.368 -21.139 -7.286 1.00 0.00 H new ATOM 0 HZ PHE B 90 74.447 -21.177 -9.518 1.00 0.00 H new ATOM 3076 N GLU B 91 75.665 -17.313 -5.412 1.00 0.00 N ATOM 3077 CA GLU B 91 76.097 -18.218 -4.306 1.00 0.00 C ATOM 3078 C GLU B 91 76.030 -17.489 -2.962 1.00 0.00 C ATOM 3079 O GLU B 91 75.633 -18.057 -1.965 1.00 0.00 O ATOM 3080 CB GLU B 91 77.532 -18.679 -4.562 1.00 0.00 C ATOM 3081 CG GLU B 91 77.555 -19.637 -5.754 1.00 0.00 C ATOM 3082 CD GLU B 91 79.002 -20.008 -6.080 1.00 0.00 C ATOM 3083 OE1 GLU B 91 79.890 -19.457 -5.450 1.00 0.00 O ATOM 3084 OE2 GLU B 91 79.199 -20.839 -6.951 1.00 0.00 O ATOM 0 H GLU B 91 76.368 -17.146 -6.132 1.00 0.00 H new ATOM 0 HA GLU B 91 75.429 -19.079 -4.273 1.00 0.00 H new ATOM 0 HB2 GLU B 91 78.172 -17.819 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU B 91 77.930 -19.174 -3.676 1.00 0.00 H new ATOM 0 HG2 GLU B 91 76.981 -20.535 -5.524 1.00 0.00 H new ATOM 0 HG3 GLU B 91 77.084 -19.170 -6.619 1.00 0.00 H new ATOM 3091 N GLY B 92 76.415 -16.242 -2.917 1.00 0.00 N ATOM 3092 CA GLY B 92 76.365 -15.504 -1.620 1.00 0.00 C ATOM 3093 C GLY B 92 74.978 -15.683 -1.001 1.00 0.00 C ATOM 3094 O GLY B 92 73.977 -15.651 -1.687 1.00 0.00 O ATOM 0 H GLY B 92 76.759 -15.706 -3.713 1.00 0.00 H new ATOM 0 HA2 GLY B 92 77.131 -15.880 -0.942 1.00 0.00 H new ATOM 0 HA3 GLY B 92 76.573 -14.446 -1.780 1.00 0.00 H new ATOM 3098 N PHE B 93 74.906 -15.883 0.288 1.00 0.00 N ATOM 3099 CA PHE B 93 73.575 -16.076 0.931 1.00 0.00 C ATOM 3100 C PHE B 93 72.921 -14.699 1.166 1.00 0.00 C ATOM 3101 O PHE B 93 73.610 -13.733 1.427 1.00 0.00 O ATOM 3102 CB PHE B 93 73.763 -16.795 2.272 1.00 0.00 C ATOM 3103 CG PHE B 93 74.788 -17.898 2.109 1.00 0.00 C ATOM 3104 CD1 PHE B 93 74.592 -18.898 1.147 1.00 0.00 C ATOM 3105 CD2 PHE B 93 75.937 -17.917 2.913 1.00 0.00 C ATOM 3106 CE1 PHE B 93 75.541 -19.916 0.992 1.00 0.00 C ATOM 3107 CE2 PHE B 93 76.885 -18.937 2.756 1.00 0.00 C ATOM 3108 CZ PHE B 93 76.687 -19.935 1.795 1.00 0.00 C ATOM 0 H PHE B 93 75.706 -15.921 0.920 1.00 0.00 H new ATOM 0 HA PHE B 93 72.934 -16.676 0.285 1.00 0.00 H new ATOM 0 HB2 PHE B 93 74.091 -16.088 3.034 1.00 0.00 H new ATOM 0 HB3 PHE B 93 72.814 -17.212 2.611 1.00 0.00 H new ATOM 0 HD1 PHE B 93 73.709 -18.884 0.525 1.00 0.00 H new ATOM 0 HD2 PHE B 93 76.091 -17.146 3.653 1.00 0.00 H new ATOM 0 HE1 PHE B 93 75.388 -20.687 0.252 1.00 0.00 H new ATOM 0 HE2 PHE B 93 77.769 -18.953 3.377 1.00 0.00 H new ATOM 0 HZ PHE B 93 77.419 -20.720 1.673 1.00 0.00 H new ATOM 3118 N PRO B 94 71.607 -14.588 1.080 1.00 0.00 N ATOM 3119 CA PRO B 94 70.932 -13.272 1.303 1.00 0.00 C ATOM 3120 C PRO B 94 71.064 -12.797 2.760 1.00 0.00 C ATOM 3121 O PRO B 94 70.603 -11.732 3.121 1.00 0.00 O ATOM 3122 CB PRO B 94 69.467 -13.598 0.952 1.00 0.00 C ATOM 3123 CG PRO B 94 69.313 -15.127 0.973 1.00 0.00 C ATOM 3124 CD PRO B 94 70.706 -15.736 0.763 1.00 0.00 C ATOM 0 HA PRO B 94 71.360 -12.462 0.712 1.00 0.00 H new ATOM 0 HB2 PRO B 94 68.789 -13.135 1.669 1.00 0.00 H new ATOM 0 HB3 PRO B 94 69.211 -13.201 -0.030 1.00 0.00 H new ATOM 0 HG2 PRO B 94 68.890 -15.456 1.922 1.00 0.00 H new ATOM 0 HG3 PRO B 94 68.630 -15.454 0.189 1.00 0.00 H new ATOM 0 HD2 PRO B 94 70.882 -16.585 1.423 1.00 0.00 H new ATOM 0 HD3 PRO B 94 70.845 -16.092 -0.258 1.00 0.00 H new ATOM 3132 N ASP B 95 71.683 -13.588 3.595 1.00 0.00 N ATOM 3133 CA ASP B 95 71.840 -13.205 5.030 1.00 0.00 C ATOM 3134 C ASP B 95 73.102 -12.352 5.211 1.00 0.00 C ATOM 3135 O ASP B 95 74.205 -12.805 4.982 1.00 0.00 O ATOM 3136 CB ASP B 95 71.959 -14.481 5.866 1.00 0.00 C ATOM 3137 CG ASP B 95 72.038 -14.123 7.350 1.00 0.00 C ATOM 3138 OD1 ASP B 95 72.371 -12.988 7.650 1.00 0.00 O ATOM 3139 OD2 ASP B 95 71.766 -14.991 8.161 1.00 0.00 O ATOM 0 H ASP B 95 72.090 -14.489 3.344 1.00 0.00 H new ATOM 0 HA ASP B 95 70.976 -12.624 5.352 1.00 0.00 H new ATOM 0 HB2 ASP B 95 71.100 -15.127 5.684 1.00 0.00 H new ATOM 0 HB3 ASP B 95 72.847 -15.039 5.570 1.00 0.00 H new ATOM 3144 N LYS B 96 72.949 -11.117 5.617 1.00 0.00 N ATOM 3145 CA LYS B 96 74.143 -10.239 5.807 1.00 0.00 C ATOM 3146 C LYS B 96 74.961 -10.703 7.020 1.00 0.00 C ATOM 3147 O LYS B 96 76.173 -10.736 6.974 1.00 0.00 O ATOM 3148 CB LYS B 96 73.681 -8.791 6.021 1.00 0.00 C ATOM 3149 CG LYS B 96 72.718 -8.725 7.215 1.00 0.00 C ATOM 3150 CD LYS B 96 71.985 -7.374 7.239 1.00 0.00 C ATOM 3151 CE LYS B 96 72.900 -6.286 7.808 1.00 0.00 C ATOM 3152 NZ LYS B 96 73.346 -6.674 9.176 1.00 0.00 N ATOM 0 H LYS B 96 72.051 -10.680 5.825 1.00 0.00 H new ATOM 0 HA LYS B 96 74.771 -10.298 4.918 1.00 0.00 H new ATOM 0 HB2 LYS B 96 74.542 -8.147 6.200 1.00 0.00 H new ATOM 0 HB3 LYS B 96 73.187 -8.420 5.123 1.00 0.00 H new ATOM 0 HG2 LYS B 96 71.994 -9.537 7.152 1.00 0.00 H new ATOM 0 HG3 LYS B 96 73.271 -8.862 8.144 1.00 0.00 H new ATOM 0 HD2 LYS B 96 71.671 -7.104 6.231 1.00 0.00 H new ATOM 0 HD3 LYS B 96 71.082 -7.453 7.844 1.00 0.00 H new ATOM 0 HE2 LYS B 96 73.764 -6.147 7.158 1.00 0.00 H new ATOM 0 HE3 LYS B 96 72.371 -5.334 7.843 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 73.329 -5.839 9.796 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 72.707 -7.401 9.556 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 74.314 -7.053 9.131 1.00 0.00 H new ATOM 3166 N GLN B 97 74.309 -11.058 8.103 1.00 0.00 N ATOM 3167 CA GLN B 97 75.046 -11.522 9.329 1.00 0.00 C ATOM 3168 C GLN B 97 74.842 -13.042 9.522 1.00 0.00 C ATOM 3169 O GLN B 97 73.813 -13.452 10.021 1.00 0.00 O ATOM 3170 CB GLN B 97 74.483 -10.785 10.554 1.00 0.00 C ATOM 3171 CG GLN B 97 75.072 -9.370 10.626 1.00 0.00 C ATOM 3172 CD GLN B 97 76.506 -9.435 11.163 1.00 0.00 C ATOM 3173 OE1 GLN B 97 77.080 -10.597 11.319 1.00 0.00 O flip ATOM 3174 NE2 GLN B 97 77.108 -8.418 11.445 1.00 0.00 N flip ATOM 0 H GLN B 97 73.293 -11.047 8.193 1.00 0.00 H new ATOM 0 HA GLN B 97 76.109 -11.312 9.214 1.00 0.00 H new ATOM 0 HB2 GLN B 97 73.396 -10.733 10.491 1.00 0.00 H new ATOM 0 HB3 GLN B 97 74.724 -11.336 11.463 1.00 0.00 H new ATOM 0 HG2 GLN B 97 75.064 -8.911 9.637 1.00 0.00 H new ATOM 0 HG3 GLN B 97 74.459 -8.743 11.273 1.00 0.00 H new ATOM 0 HE21 GLN B 97 76.660 -7.510 11.323 1.00 0.00 H new ATOM 0 HE22 GLN B 97 78.061 -8.472 11.803 1.00 0.00 H new ATOM 3183 N PRO B 98 75.790 -13.886 9.153 1.00 0.00 N ATOM 3184 CA PRO B 98 75.606 -15.354 9.346 1.00 0.00 C ATOM 3185 C PRO B 98 75.426 -15.725 10.827 1.00 0.00 C ATOM 3186 O PRO B 98 76.287 -15.475 11.648 1.00 0.00 O ATOM 3187 CB PRO B 98 76.912 -15.944 8.771 1.00 0.00 C ATOM 3188 CG PRO B 98 77.717 -14.802 8.120 1.00 0.00 C ATOM 3189 CD PRO B 98 77.077 -13.463 8.528 1.00 0.00 C ATOM 0 HA PRO B 98 74.708 -15.734 8.859 1.00 0.00 H new ATOM 0 HB2 PRO B 98 77.495 -16.416 9.562 1.00 0.00 H new ATOM 0 HB3 PRO B 98 76.688 -16.717 8.036 1.00 0.00 H new ATOM 0 HG2 PRO B 98 78.757 -14.839 8.443 1.00 0.00 H new ATOM 0 HG3 PRO B 98 77.716 -14.908 7.035 1.00 0.00 H new ATOM 0 HD2 PRO B 98 77.705 -12.912 9.229 1.00 0.00 H new ATOM 0 HD3 PRO B 98 76.914 -12.814 7.667 1.00 0.00 H new ATOM 3197 N ARG B 99 74.315 -16.326 11.169 1.00 0.00 N ATOM 3198 CA ARG B 99 74.074 -16.725 12.590 1.00 0.00 C ATOM 3199 C ARG B 99 74.389 -18.217 12.744 1.00 0.00 C ATOM 3200 O ARG B 99 73.816 -19.054 12.075 1.00 0.00 O ATOM 3201 CB ARG B 99 72.604 -16.474 12.941 1.00 0.00 C ATOM 3202 CG ARG B 99 72.380 -16.718 14.434 1.00 0.00 C ATOM 3203 CD ARG B 99 70.905 -16.487 14.771 1.00 0.00 C ATOM 3204 NE ARG B 99 70.565 -15.047 14.597 1.00 0.00 N ATOM 3205 CZ ARG B 99 69.315 -14.683 14.494 1.00 0.00 C ATOM 3206 NH1 ARG B 99 68.370 -15.582 14.531 1.00 0.00 N ATOM 3207 NH2 ARG B 99 69.011 -13.422 14.347 1.00 0.00 N ATOM 0 H ARG B 99 73.561 -16.559 10.523 1.00 0.00 H new ATOM 0 HA ARG B 99 74.710 -16.142 13.256 1.00 0.00 H new ATOM 0 HB2 ARG B 99 72.329 -15.451 12.685 1.00 0.00 H new ATOM 0 HB3 ARG B 99 71.963 -17.133 12.355 1.00 0.00 H new ATOM 0 HG2 ARG B 99 72.669 -17.736 14.695 1.00 0.00 H new ATOM 0 HG3 ARG B 99 73.008 -16.048 15.021 1.00 0.00 H new ATOM 0 HD2 ARG B 99 70.275 -17.099 14.125 1.00 0.00 H new ATOM 0 HD3 ARG B 99 70.705 -16.796 15.797 1.00 0.00 H new ATOM 0 HE ARG B 99 71.306 -14.347 14.558 1.00 0.00 H new ATOM 0 HH11 ARG B 99 68.608 -16.568 14.640 1.00 0.00 H new ATOM 0 HH12 ARG B 99 67.393 -15.299 14.451 1.00 0.00 H new ATOM 0 HH21 ARG B 99 69.750 -12.720 14.312 1.00 0.00 H new ATOM 0 HH22 ARG B 99 68.034 -13.139 14.267 1.00 0.00 H new ATOM 3221 N LYS B 100 75.301 -18.553 13.615 1.00 0.00 N ATOM 3222 CA LYS B 100 75.662 -19.989 13.805 1.00 0.00 C ATOM 3223 C LYS B 100 74.498 -20.744 14.447 1.00 0.00 C ATOM 3224 O LYS B 100 73.729 -20.192 15.207 1.00 0.00 O ATOM 3225 CB LYS B 100 76.884 -20.084 14.722 1.00 0.00 C ATOM 3226 CG LYS B 100 78.068 -19.359 14.081 1.00 0.00 C ATOM 3227 CD LYS B 100 79.284 -19.459 15.005 1.00 0.00 C ATOM 3228 CE LYS B 100 80.472 -18.736 14.370 1.00 0.00 C ATOM 3229 NZ LYS B 100 80.603 -19.159 12.947 1.00 0.00 N ATOM 0 H LYS B 100 75.813 -17.896 14.204 1.00 0.00 H new ATOM 0 HA LYS B 100 75.885 -20.431 12.834 1.00 0.00 H new ATOM 0 HB2 LYS B 100 76.657 -19.643 15.693 1.00 0.00 H new ATOM 0 HB3 LYS B 100 77.138 -21.129 14.899 1.00 0.00 H new ATOM 0 HG2 LYS B 100 78.297 -19.800 13.111 1.00 0.00 H new ATOM 0 HG3 LYS B 100 77.816 -18.313 13.904 1.00 0.00 H new ATOM 0 HD2 LYS B 100 79.053 -19.018 15.975 1.00 0.00 H new ATOM 0 HD3 LYS B 100 79.534 -20.505 15.181 1.00 0.00 H new ATOM 0 HE2 LYS B 100 80.329 -17.657 14.429 1.00 0.00 H new ATOM 0 HE3 LYS B 100 81.387 -18.967 14.916 1.00 0.00 H new ATOM 0 HZ1 LYS B 100 81.580 -19.002 12.627 1.00 0.00 H new ATOM 0 HZ2 LYS B 100 80.369 -20.169 12.862 1.00 0.00 H new ATOM 0 HZ3 LYS B 100 79.952 -18.602 12.358 1.00 0.00 H new ATOM 3243 N LYS B 101 74.371 -22.012 14.153 1.00 0.00 N ATOM 3244 CA LYS B 101 73.265 -22.809 14.756 1.00 0.00 C ATOM 3245 C LYS B 101 73.568 -23.054 16.234 1.00 0.00 C ATOM 3246 O LYS B 101 72.985 -22.372 17.060 1.00 0.00 O ATOM 3247 CB LYS B 101 73.141 -24.154 14.034 1.00 0.00 C ATOM 3248 CG LYS B 101 72.584 -23.938 12.623 1.00 0.00 C ATOM 3249 CD LYS B 101 72.488 -25.283 11.885 1.00 0.00 C ATOM 3250 CE LYS B 101 71.385 -26.154 12.501 1.00 0.00 C ATOM 3251 NZ LYS B 101 70.976 -27.202 11.522 1.00 0.00 N ATOM 3252 OXT LYS B 101 74.381 -23.920 16.516 1.00 0.00 O ATOM 0 H LYS B 101 74.985 -22.528 13.523 1.00 0.00 H new ATOM 0 HA LYS B 101 72.329 -22.260 14.657 1.00 0.00 H new ATOM 0 HB2 LYS B 101 74.116 -24.639 13.980 1.00 0.00 H new ATOM 0 HB3 LYS B 101 72.485 -24.819 14.596 1.00 0.00 H new ATOM 0 HG2 LYS B 101 71.600 -23.473 12.679 1.00 0.00 H new ATOM 0 HG3 LYS B 101 73.228 -23.255 12.069 1.00 0.00 H new ATOM 0 HD2 LYS B 101 72.278 -25.112 10.829 1.00 0.00 H new ATOM 0 HD3 LYS B 101 73.444 -25.804 11.939 1.00 0.00 H new ATOM 0 HE2 LYS B 101 71.744 -26.619 13.419 1.00 0.00 H new ATOM 0 HE3 LYS B 101 70.527 -25.537 12.770 1.00 0.00 H new ATOM 0 HZ1 LYS B 101 70.228 -27.793 11.938 1.00 0.00 H new ATOM 0 HZ2 LYS B 101 70.618 -26.748 10.657 1.00 0.00 H new ATOM 0 HZ3 LYS B 101 71.796 -27.796 11.287 1.00 0.00 H new TER 3266 LYS B 101