USER MOD reduce.3.24.130724 H: found=0, std=0, add=1626, rem=0, adj=60 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 81 CYS SG : rot -28:sc= -0.323 USER MOD Set 1.2: B 85 MET CE :methyl -138:sc= -1.42 (180deg=-1.26) USER MOD Set 2.1: A 76 CYS SG : rot 86:sc= 2.22 USER MOD Set 2.2: B 80 SER OG : rot -76:sc= 0.913 USER MOD Set 3.1: A 80 SER OG : rot -61:sc= 1.05 USER MOD Set 3.2: B 76 CYS SG : rot 65:sc= 2.25 USER MOD Set 4.1: A 81 CYS SG : rot 180:sc= -0.285 USER MOD Set 4.2: A 85 MET CE :methyl -136:sc= -1.35 (180deg=-1.06) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0113 (180deg=-0.241) USER MOD Single : A 3 CYS SG : rot -150:sc= -0.126 USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= -0.687 (180deg=-1.26) USER MOD Single : A 12 MET CE :methyl -163:sc= -0.371 (180deg=-1.36!) USER MOD Single : A 14 SER OG : rot 65:sc= 1.52 USER MOD Single : A 15 THR OG1 : rot 174:sc= 1.26 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.181) USER MOD Single : A 19 TYR OH : rot 130:sc= -0.514 USER MOD Single : A 20 SER OG : rot -130:sc= -0.298 USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.047) 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= -0.0736 K(o=-0.074,f=-1.9!) USER MOD Single : A 31 LYS NZ :NH3+ -130:sc= 0.187 (180deg=-0.209) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= -0.0143 (180deg=-0.311) USER MOD Single : A 39 THR OG1 : rot 90:sc= 1.23 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= 0.00486 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -107:sc= -1.9 (180deg=-4.96!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.102 K(o=-0.1,f=-1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 68 ASN :FLIP amide:sc= -4.24 F(o=-5.8!,f=-4.2) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -156:sc= -0.634 (180deg=-1.85) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -4.67! C(o=-6.1!,f=-4.7!) USER MOD Single : A 96 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.112) USER MOD Single : A 97 GLN : amide:sc= -0.0039 X(o=-0.0039,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -163:sc= -0.0246 (180deg=-0.275) USER MOD Single : B 3 CYS SG : rot -150:sc= -0.222 USER MOD Single : B 7 LYS NZ :NH3+ -158:sc= -0.712 (180deg=-1.34) USER MOD Single : B 12 MET CE :methyl -160:sc= -0.309 (180deg=-1.37!) USER MOD Single : B 14 SER OG : rot 64:sc= 1.61 USER MOD Single : B 15 THR OG1 : rot 175:sc= 1.09 USER MOD Single : B 17 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : B 18 LYS NZ :NH3+ -165:sc=-0.00989 (180deg=-0.209) USER MOD Single : B 19 TYR OH : rot 130:sc= -0.505 USER MOD Single : B 20 SER OG : rot -130:sc= -0.386 USER MOD Single : B 22 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0635) 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= -0.0788 K(o=-0.079,f=-2!) USER MOD Single : B 31 LYS NZ :NH3+ -130:sc= 0.198 (180deg=-0.175) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -167:sc= -0.006 (180deg=-0.226) USER MOD Single : B 39 THR OG1 : rot 94:sc= 1.2 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= 0.0047 USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : B 57 LYS NZ :NH3+ -102:sc= -1.91 (180deg=-5.16!) USER MOD Single : B 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 ASN : amide:sc= -0.115 K(o=-0.11,f=-1) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 65 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : B 68 ASN :FLIP amide:sc= -4.27! C(o=-5.7!,f=-4.3!) USER MOD Single : B 73 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 75 TYR OH : rot 180:sc= 0 USER MOD Single : B 84 MET CE :methyl -158:sc= -0.549 (180deg=-1.62) USER MOD Single : B 86 CYS SG : rot 180:sc= 0 USER MOD Single : B 87 ASN :FLIP amide:sc= -4.62! C(o=-5.9!,f=-4.6!) USER MOD Single : B 96 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0815) USER MOD Single : B 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.430 0.068 -21.796 1.00 0.00 N ATOM 2 CA MET A 1 73.429 1.063 -21.314 1.00 0.00 C ATOM 3 C MET A 1 73.814 0.740 -19.870 1.00 0.00 C ATOM 4 O MET A 1 73.364 1.383 -18.941 1.00 0.00 O ATOM 5 CB MET A 1 72.817 2.463 -21.370 1.00 0.00 C ATOM 6 CG MET A 1 72.651 2.894 -22.827 1.00 0.00 C ATOM 7 SD MET A 1 71.919 4.549 -22.882 1.00 0.00 S ATOM 8 CE MET A 1 71.850 4.705 -24.683 1.00 0.00 C ATOM 0 H1 MET A 1 72.369 0.112 -22.833 1.00 0.00 H new ATOM 0 H2 MET A 1 72.723 -0.887 -21.506 1.00 0.00 H new ATOM 0 H3 MET A 1 71.499 0.284 -21.385 1.00 0.00 H new ATOM 0 HA MET A 1 74.316 1.023 -21.947 1.00 0.00 H new ATOM 0 HB2 MET A 1 71.850 2.468 -20.867 1.00 0.00 H new ATOM 0 HB3 MET A 1 73.455 3.171 -20.842 1.00 0.00 H new ATOM 0 HG2 MET A 1 73.618 2.895 -23.330 1.00 0.00 H new ATOM 0 HG3 MET A 1 72.016 2.185 -23.358 1.00 0.00 H new ATOM 0 HE1 MET A 1 71.422 5.672 -24.948 1.00 0.00 H new ATOM 0 HE2 MET A 1 72.857 4.628 -25.094 1.00 0.00 H new ATOM 0 HE3 MET A 1 71.229 3.909 -25.094 1.00 0.00 H new ATOM 20 N ALA A 2 74.641 -0.248 -19.667 1.00 0.00 N ATOM 21 CA ALA A 2 75.046 -0.600 -18.279 1.00 0.00 C ATOM 22 C ALA A 2 75.940 0.505 -17.718 1.00 0.00 C ATOM 23 O ALA A 2 76.816 1.009 -18.392 1.00 0.00 O ATOM 24 CB ALA A 2 75.817 -1.920 -18.290 1.00 0.00 C ATOM 0 H ALA A 2 75.052 -0.825 -20.401 1.00 0.00 H new ATOM 0 HA ALA A 2 74.158 -0.705 -17.656 1.00 0.00 H new ATOM 0 HB1 ALA A 2 76.113 -2.177 -17.273 1.00 0.00 H new ATOM 0 HB2 ALA A 2 75.182 -2.709 -18.693 1.00 0.00 H new ATOM 0 HB3 ALA A 2 76.706 -1.817 -18.912 1.00 0.00 H new ATOM 30 N CYS A 3 75.732 0.886 -16.487 1.00 0.00 N ATOM 31 CA CYS A 3 76.580 1.956 -15.889 1.00 0.00 C ATOM 32 C CYS A 3 77.919 1.336 -15.446 1.00 0.00 C ATOM 33 O CYS A 3 77.953 0.194 -15.034 1.00 0.00 O ATOM 34 CB CYS A 3 75.866 2.547 -14.671 1.00 0.00 C ATOM 35 SG CYS A 3 74.399 3.457 -15.210 1.00 0.00 S ATOM 0 H CYS A 3 75.014 0.504 -15.871 1.00 0.00 H new ATOM 0 HA CYS A 3 76.758 2.744 -16.621 1.00 0.00 H new ATOM 0 HB2 CYS A 3 75.580 1.751 -13.983 1.00 0.00 H new ATOM 0 HB3 CYS A 3 76.539 3.211 -14.129 1.00 0.00 H new ATOM 0 HG CYS A 3 74.162 4.429 -14.380 1.00 0.00 H new ATOM 41 N PRO A 4 79.018 2.060 -15.516 1.00 0.00 N ATOM 42 CA PRO A 4 80.330 1.492 -15.092 1.00 0.00 C ATOM 43 C PRO A 4 80.319 1.084 -13.612 1.00 0.00 C ATOM 44 O PRO A 4 81.246 0.474 -13.118 1.00 0.00 O ATOM 45 CB PRO A 4 81.306 2.655 -15.357 1.00 0.00 C ATOM 46 CG PRO A 4 80.474 3.915 -15.664 1.00 0.00 C ATOM 47 CD PRO A 4 79.043 3.468 -16.008 1.00 0.00 C ATOM 0 HA PRO A 4 80.596 0.579 -15.625 1.00 0.00 H new ATOM 0 HB2 PRO A 4 81.944 2.822 -14.489 1.00 0.00 H new ATOM 0 HB3 PRO A 4 81.962 2.418 -16.195 1.00 0.00 H new ATOM 0 HG2 PRO A 4 80.467 4.586 -14.805 1.00 0.00 H new ATOM 0 HG3 PRO A 4 80.911 4.467 -16.496 1.00 0.00 H new ATOM 0 HD2 PRO A 4 78.295 4.085 -15.511 1.00 0.00 H new ATOM 0 HD3 PRO A 4 78.845 3.528 -17.078 1.00 0.00 H new ATOM 55 N LEU A 5 79.275 1.421 -12.905 1.00 0.00 N ATOM 56 CA LEU A 5 79.201 1.057 -11.463 1.00 0.00 C ATOM 57 C LEU A 5 79.273 -0.465 -11.342 1.00 0.00 C ATOM 58 O LEU A 5 79.864 -0.997 -10.428 1.00 0.00 O ATOM 59 CB LEU A 5 77.880 1.560 -10.863 1.00 0.00 C ATOM 60 CG LEU A 5 77.818 1.220 -9.360 1.00 0.00 C ATOM 61 CD1 LEU A 5 78.931 1.975 -8.604 1.00 0.00 C ATOM 62 CD2 LEU A 5 76.444 1.617 -8.793 1.00 0.00 C ATOM 0 H LEU A 5 78.470 1.933 -13.265 1.00 0.00 H new ATOM 0 HA LEU A 5 80.029 1.516 -10.923 1.00 0.00 H new ATOM 0 HB2 LEU A 5 77.794 2.637 -11.004 1.00 0.00 H new ATOM 0 HB3 LEU A 5 77.038 1.103 -11.382 1.00 0.00 H new ATOM 0 HG LEU A 5 77.964 0.147 -9.231 1.00 0.00 H new ATOM 0 HD11 LEU A 5 78.881 1.730 -7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 5 79.903 1.681 -8.999 1.00 0.00 H new ATOM 0 HD13 LEU A 5 78.796 3.049 -8.735 1.00 0.00 H new ATOM 0 HD21 LEU A 5 76.405 1.375 -7.731 1.00 0.00 H new ATOM 0 HD22 LEU A 5 76.291 2.688 -8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 5 75.662 1.070 -9.319 1.00 0.00 H new ATOM 74 N GLU A 6 78.659 -1.167 -12.253 1.00 0.00 N ATOM 75 CA GLU A 6 78.675 -2.654 -12.180 1.00 0.00 C ATOM 76 C GLU A 6 80.120 -3.149 -12.239 1.00 0.00 C ATOM 77 O GLU A 6 80.514 -4.028 -11.499 1.00 0.00 O ATOM 78 CB GLU A 6 77.910 -3.217 -13.380 1.00 0.00 C ATOM 79 CG GLU A 6 76.418 -2.924 -13.223 1.00 0.00 C ATOM 80 CD GLU A 6 75.667 -3.436 -14.454 1.00 0.00 C ATOM 81 OE1 GLU A 6 76.315 -3.974 -15.336 1.00 0.00 O ATOM 82 OE2 GLU A 6 74.458 -3.276 -14.495 1.00 0.00 O ATOM 0 H GLU A 6 78.147 -0.776 -13.044 1.00 0.00 H new ATOM 0 HA GLU A 6 78.211 -2.982 -11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 6 78.283 -2.772 -14.303 1.00 0.00 H new ATOM 0 HB3 GLU A 6 78.073 -4.292 -13.456 1.00 0.00 H new ATOM 0 HG2 GLU A 6 76.034 -3.405 -12.323 1.00 0.00 H new ATOM 0 HG3 GLU A 6 76.257 -1.852 -13.105 1.00 0.00 H new ATOM 89 N LYS A 7 80.920 -2.582 -13.099 1.00 0.00 N ATOM 90 CA LYS A 7 82.340 -3.014 -13.182 1.00 0.00 C ATOM 91 C LYS A 7 83.085 -2.467 -11.975 1.00 0.00 C ATOM 92 O LYS A 7 83.781 -3.182 -11.288 1.00 0.00 O ATOM 93 CB LYS A 7 82.972 -2.474 -14.470 1.00 0.00 C ATOM 94 CG LYS A 7 84.420 -2.968 -14.594 1.00 0.00 C ATOM 95 CD LYS A 7 85.098 -2.302 -15.799 1.00 0.00 C ATOM 96 CE LYS A 7 84.358 -2.658 -17.092 1.00 0.00 C ATOM 97 NZ LYS A 7 83.944 -4.090 -17.060 1.00 0.00 N ATOM 0 H LYS A 7 80.651 -1.840 -13.746 1.00 0.00 H new ATOM 0 HA LYS A 7 82.397 -4.102 -13.192 1.00 0.00 H new ATOM 0 HB2 LYS A 7 82.393 -2.801 -15.333 1.00 0.00 H new ATOM 0 HB3 LYS A 7 82.950 -1.384 -14.466 1.00 0.00 H new ATOM 0 HG2 LYS A 7 84.971 -2.738 -13.682 1.00 0.00 H new ATOM 0 HG3 LYS A 7 84.435 -4.052 -14.710 1.00 0.00 H new ATOM 0 HD2 LYS A 7 85.110 -1.220 -15.666 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.136 -2.627 -15.866 1.00 0.00 H new ATOM 0 HE2 LYS A 7 83.482 -2.019 -17.208 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.002 -2.475 -17.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 83.758 -4.419 -18.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 84.704 -4.662 -16.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 83.081 -4.189 -16.489 1.00 0.00 H new ATOM 111 N ALA A 8 82.927 -1.204 -11.700 1.00 0.00 N ATOM 112 CA ALA A 8 83.622 -0.627 -10.526 1.00 0.00 C ATOM 113 C ALA A 8 83.138 -1.382 -9.302 1.00 0.00 C ATOM 114 O ALA A 8 83.905 -1.740 -8.432 1.00 0.00 O ATOM 115 CB ALA A 8 83.312 0.859 -10.401 1.00 0.00 C ATOM 0 H ALA A 8 82.351 -0.553 -12.234 1.00 0.00 H new ATOM 0 HA ALA A 8 84.703 -0.723 -10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 8 83.830 1.267 -9.533 1.00 0.00 H new ATOM 0 HB2 ALA A 8 83.646 1.377 -11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 8 82.238 0.998 -10.280 1.00 0.00 H new ATOM 121 N LEU A 9 81.870 -1.682 -9.255 1.00 0.00 N ATOM 122 CA LEU A 9 81.360 -2.478 -8.115 1.00 0.00 C ATOM 123 C LEU A 9 82.118 -3.796 -8.154 1.00 0.00 C ATOM 124 O LEU A 9 82.537 -4.320 -7.141 1.00 0.00 O ATOM 125 CB LEU A 9 79.851 -2.721 -8.263 1.00 0.00 C ATOM 126 CG LEU A 9 79.327 -3.547 -7.080 1.00 0.00 C ATOM 127 CD1 LEU A 9 79.523 -2.776 -5.762 1.00 0.00 C ATOM 128 CD2 LEU A 9 77.835 -3.838 -7.292 1.00 0.00 C ATOM 0 H LEU A 9 81.175 -1.412 -9.951 1.00 0.00 H new ATOM 0 HA LEU A 9 81.509 -1.960 -7.167 1.00 0.00 H new ATOM 0 HB2 LEU A 9 79.325 -1.768 -8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 9 79.650 -3.244 -9.198 1.00 0.00 H new ATOM 0 HG LEU A 9 79.882 -4.483 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 9 79.147 -3.374 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 9 80.584 -2.574 -5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 9 78.977 -1.834 -5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 9 77.456 -4.425 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 9 77.286 -2.898 -7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 9 77.701 -4.398 -8.218 1.00 0.00 H new ATOM 140 N ASP A 10 82.327 -4.319 -9.334 1.00 0.00 N ATOM 141 CA ASP A 10 83.094 -5.582 -9.451 1.00 0.00 C ATOM 142 C ASP A 10 84.554 -5.306 -9.084 1.00 0.00 C ATOM 143 O ASP A 10 85.221 -6.141 -8.514 1.00 0.00 O ATOM 144 CB ASP A 10 83.011 -6.117 -10.884 1.00 0.00 C ATOM 145 CG ASP A 10 83.482 -7.572 -10.910 1.00 0.00 C ATOM 146 OD1 ASP A 10 83.952 -8.041 -9.886 1.00 0.00 O ATOM 147 OD2 ASP A 10 83.366 -8.195 -11.954 1.00 0.00 O ATOM 0 H ASP A 10 81.999 -3.924 -10.215 1.00 0.00 H new ATOM 0 HA ASP A 10 82.676 -6.329 -8.776 1.00 0.00 H new ATOM 0 HB2 ASP A 10 81.987 -6.048 -11.251 1.00 0.00 H new ATOM 0 HB3 ASP A 10 83.629 -5.511 -11.547 1.00 0.00 H new ATOM 152 N VAL A 11 85.061 -4.141 -9.409 1.00 0.00 N ATOM 153 CA VAL A 11 86.486 -3.844 -9.067 1.00 0.00 C ATOM 154 C VAL A 11 86.662 -3.936 -7.550 1.00 0.00 C ATOM 155 O VAL A 11 87.639 -4.466 -7.061 1.00 0.00 O ATOM 156 CB VAL A 11 86.860 -2.430 -9.539 1.00 0.00 C ATOM 157 CG1 VAL A 11 88.240 -2.036 -8.990 1.00 0.00 C ATOM 158 CG2 VAL A 11 86.885 -2.388 -11.075 1.00 0.00 C ATOM 0 H VAL A 11 84.558 -3.394 -9.889 1.00 0.00 H new ATOM 0 HA VAL A 11 87.135 -4.565 -9.564 1.00 0.00 H new ATOM 0 HB VAL A 11 86.116 -1.725 -9.168 1.00 0.00 H new ATOM 0 HG11 VAL A 11 88.494 -1.032 -9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 11 88.217 -2.054 -7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 11 88.989 -2.742 -9.349 1.00 0.00 H new ATOM 0 HG21 VAL A 11 87.150 -1.384 -11.407 1.00 0.00 H new ATOM 0 HG22 VAL A 11 87.622 -3.100 -11.447 1.00 0.00 H new ATOM 0 HG23 VAL A 11 85.900 -2.650 -11.462 1.00 0.00 H new ATOM 168 N MET A 12 85.717 -3.435 -6.797 1.00 0.00 N ATOM 169 CA MET A 12 85.839 -3.517 -5.314 1.00 0.00 C ATOM 170 C MET A 12 85.920 -4.987 -4.915 1.00 0.00 C ATOM 171 O MET A 12 86.702 -5.383 -4.078 1.00 0.00 O ATOM 172 CB MET A 12 84.604 -2.891 -4.651 1.00 0.00 C ATOM 173 CG MET A 12 84.827 -2.779 -3.135 1.00 0.00 C ATOM 174 SD MET A 12 83.228 -2.672 -2.293 1.00 0.00 S ATOM 175 CE MET A 12 82.505 -1.395 -3.345 1.00 0.00 C ATOM 0 H MET A 12 84.874 -2.977 -7.142 1.00 0.00 H new ATOM 0 HA MET A 12 86.731 -2.981 -4.991 1.00 0.00 H new ATOM 0 HB2 MET A 12 84.414 -1.904 -5.074 1.00 0.00 H new ATOM 0 HB3 MET A 12 83.723 -3.500 -4.854 1.00 0.00 H new ATOM 0 HG2 MET A 12 85.382 -3.645 -2.774 1.00 0.00 H new ATOM 0 HG3 MET A 12 85.428 -1.898 -2.910 1.00 0.00 H new ATOM 0 HE1 MET A 12 81.644 -0.954 -2.843 1.00 0.00 H new ATOM 0 HE2 MET A 12 83.247 -0.621 -3.540 1.00 0.00 H new ATOM 0 HE3 MET A 12 82.187 -1.838 -4.289 1.00 0.00 H new ATOM 185 N VAL A 13 85.085 -5.791 -5.500 1.00 0.00 N ATOM 186 CA VAL A 13 85.072 -7.240 -5.162 1.00 0.00 C ATOM 187 C VAL A 13 86.225 -7.970 -5.864 1.00 0.00 C ATOM 188 O VAL A 13 86.883 -8.809 -5.284 1.00 0.00 O ATOM 189 CB VAL A 13 83.738 -7.831 -5.613 1.00 0.00 C ATOM 190 CG1 VAL A 13 83.690 -9.321 -5.262 1.00 0.00 C ATOM 191 CG2 VAL A 13 82.597 -7.094 -4.904 1.00 0.00 C ATOM 0 H VAL A 13 84.404 -5.507 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 13 85.197 -7.362 -4.086 1.00 0.00 H new ATOM 0 HB VAL A 13 83.631 -7.716 -6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 13 82.737 -9.740 -5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 13 84.505 -9.840 -5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.794 -9.444 -4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.641 -7.511 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.703 -7.211 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.633 -6.035 -5.160 1.00 0.00 H new ATOM 201 N SER A 14 86.461 -7.676 -7.116 1.00 0.00 N ATOM 202 CA SER A 14 87.558 -8.376 -7.849 1.00 0.00 C ATOM 203 C SER A 14 88.904 -8.127 -7.164 1.00 0.00 C ATOM 204 O SER A 14 89.688 -9.036 -6.978 1.00 0.00 O ATOM 205 CB SER A 14 87.615 -7.864 -9.289 1.00 0.00 C ATOM 206 OG SER A 14 86.388 -8.161 -9.943 1.00 0.00 O ATOM 0 H SER A 14 85.945 -6.985 -7.661 1.00 0.00 H new ATOM 0 HA SER A 14 87.356 -9.447 -7.845 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.794 -6.789 -9.298 1.00 0.00 H new ATOM 0 HB3 SER A 14 88.445 -8.330 -9.820 1.00 0.00 H new ATOM 0 HG SER A 14 85.661 -7.661 -9.517 1.00 0.00 H new ATOM 212 N THR A 15 89.186 -6.910 -6.779 1.00 0.00 N ATOM 213 CA THR A 15 90.488 -6.639 -6.103 1.00 0.00 C ATOM 214 C THR A 15 90.544 -7.450 -4.803 1.00 0.00 C ATOM 215 O THR A 15 91.557 -8.014 -4.445 1.00 0.00 O ATOM 216 CB THR A 15 90.612 -5.128 -5.824 1.00 0.00 C ATOM 217 OG1 THR A 15 91.986 -4.770 -5.776 1.00 0.00 O ATOM 218 CG2 THR A 15 89.941 -4.748 -4.497 1.00 0.00 C ATOM 0 H THR A 15 88.578 -6.100 -6.902 1.00 0.00 H new ATOM 0 HA THR A 15 91.322 -6.937 -6.738 1.00 0.00 H new ATOM 0 HB THR A 15 90.109 -4.590 -6.627 1.00 0.00 H new ATOM 0 HG1 THR A 15 92.068 -3.796 -5.699 1.00 0.00 H new ATOM 0 HG21 THR A 15 90.046 -3.676 -4.330 1.00 0.00 H new ATOM 0 HG22 THR A 15 88.883 -5.007 -4.537 1.00 0.00 H new ATOM 0 HG23 THR A 15 90.417 -5.291 -3.680 1.00 0.00 H new ATOM 226 N PHE A 16 89.442 -7.508 -4.115 1.00 0.00 N ATOM 227 CA PHE A 16 89.366 -8.274 -2.838 1.00 0.00 C ATOM 228 C PHE A 16 89.694 -9.742 -3.116 1.00 0.00 C ATOM 229 O PHE A 16 90.375 -10.399 -2.353 1.00 0.00 O ATOM 230 CB PHE A 16 87.946 -8.154 -2.277 1.00 0.00 C ATOM 231 CG PHE A 16 87.829 -8.898 -0.966 1.00 0.00 C ATOM 232 CD1 PHE A 16 87.632 -10.285 -0.960 1.00 0.00 C ATOM 233 CD2 PHE A 16 87.895 -8.196 0.244 1.00 0.00 C ATOM 234 CE1 PHE A 16 87.505 -10.969 0.256 1.00 0.00 C ATOM 235 CE2 PHE A 16 87.769 -8.881 1.459 1.00 0.00 C ATOM 236 CZ PHE A 16 87.574 -10.265 1.466 1.00 0.00 C ATOM 0 H PHE A 16 88.573 -7.049 -4.387 1.00 0.00 H new ATOM 0 HA PHE A 16 90.079 -7.878 -2.114 1.00 0.00 H new ATOM 0 HB2 PHE A 16 87.695 -7.104 -2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 16 87.230 -8.555 -2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 16 87.578 -10.827 -1.893 1.00 0.00 H new ATOM 0 HD2 PHE A 16 88.043 -7.126 0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 16 87.354 -12.038 0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 16 87.823 -8.339 2.392 1.00 0.00 H new ATOM 0 HZ PHE A 16 87.476 -10.792 2.404 1.00 0.00 H new ATOM 246 N HIS A 17 89.214 -10.252 -4.213 1.00 0.00 N ATOM 247 CA HIS A 17 89.483 -11.671 -4.573 1.00 0.00 C ATOM 248 C HIS A 17 90.989 -11.881 -4.705 1.00 0.00 C ATOM 249 O HIS A 17 91.522 -12.896 -4.301 1.00 0.00 O ATOM 250 CB HIS A 17 88.809 -11.984 -5.912 1.00 0.00 C ATOM 251 CG HIS A 17 89.077 -13.413 -6.296 1.00 0.00 C ATOM 252 ND1 HIS A 17 89.972 -13.748 -7.306 1.00 0.00 N ATOM 253 CD2 HIS A 17 88.581 -14.604 -5.826 1.00 0.00 C ATOM 254 CE1 HIS A 17 89.984 -15.089 -7.408 1.00 0.00 C ATOM 255 NE2 HIS A 17 89.156 -15.657 -6.531 1.00 0.00 N ATOM 0 H HIS A 17 88.640 -9.741 -4.884 1.00 0.00 H new ATOM 0 HA HIS A 17 89.089 -12.329 -3.799 1.00 0.00 H new ATOM 0 HB2 HIS A 17 87.735 -11.813 -5.838 1.00 0.00 H new ATOM 0 HB3 HIS A 17 89.186 -11.314 -6.685 1.00 0.00 H new ATOM 0 HD2 HIS A 17 87.856 -14.708 -5.032 1.00 0.00 H new ATOM 0 HE1 HIS A 17 90.590 -15.638 -8.114 1.00 0.00 H new ATOM 0 HE2 HIS A 17 88.981 -16.654 -6.404 1.00 0.00 H new ATOM 264 N LYS A 18 91.679 -10.934 -5.270 1.00 0.00 N ATOM 265 CA LYS A 18 93.148 -11.086 -5.430 1.00 0.00 C ATOM 266 C LYS A 18 93.794 -11.249 -4.052 1.00 0.00 C ATOM 267 O LYS A 18 94.661 -12.078 -3.859 1.00 0.00 O ATOM 268 CB LYS A 18 93.703 -9.837 -6.115 1.00 0.00 C ATOM 269 CG LYS A 18 95.209 -9.986 -6.332 1.00 0.00 C ATOM 270 CD LYS A 18 95.744 -8.729 -7.017 1.00 0.00 C ATOM 271 CE LYS A 18 97.242 -8.887 -7.265 1.00 0.00 C ATOM 272 NZ LYS A 18 97.973 -8.803 -5.969 1.00 0.00 N ATOM 0 H LYS A 18 91.290 -10.062 -5.628 1.00 0.00 H new ATOM 0 HA LYS A 18 93.368 -11.965 -6.036 1.00 0.00 H new ATOM 0 HB2 LYS A 18 93.203 -9.684 -7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 18 93.500 -8.957 -5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 18 95.713 -10.137 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 18 95.415 -10.864 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 18 95.223 -8.566 -7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 18 95.557 -7.854 -6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 18 97.443 -9.844 -7.746 1.00 0.00 H new ATOM 0 HE3 LYS A 18 97.593 -8.109 -7.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 98.989 -8.672 -6.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 97.613 -7.997 -5.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 97.828 -9.681 -5.431 1.00 0.00 H new ATOM 286 N TYR A 19 93.374 -10.475 -3.088 1.00 0.00 N ATOM 287 CA TYR A 19 93.966 -10.606 -1.725 1.00 0.00 C ATOM 288 C TYR A 19 93.518 -11.922 -1.098 1.00 0.00 C ATOM 289 O TYR A 19 94.285 -12.603 -0.446 1.00 0.00 O ATOM 290 CB TYR A 19 93.525 -9.436 -0.845 1.00 0.00 C ATOM 291 CG TYR A 19 94.297 -8.195 -1.235 1.00 0.00 C ATOM 292 CD1 TYR A 19 95.574 -7.974 -0.705 1.00 0.00 C ATOM 293 CD2 TYR A 19 93.740 -7.274 -2.128 1.00 0.00 C ATOM 294 CE1 TYR A 19 96.296 -6.832 -1.071 1.00 0.00 C ATOM 295 CE2 TYR A 19 94.457 -6.130 -2.493 1.00 0.00 C ATOM 296 CZ TYR A 19 95.738 -5.909 -1.965 1.00 0.00 C ATOM 297 OH TYR A 19 96.453 -4.786 -2.330 1.00 0.00 O ATOM 0 H TYR A 19 92.651 -9.762 -3.184 1.00 0.00 H new ATOM 0 HA TYR A 19 95.053 -10.595 -1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 19 92.455 -9.263 -0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 19 93.699 -9.671 0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 19 96.002 -8.685 -0.014 1.00 0.00 H new ATOM 0 HD2 TYR A 19 92.755 -7.446 -2.536 1.00 0.00 H new ATOM 0 HE1 TYR A 19 97.282 -6.663 -0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 19 94.025 -5.418 -3.180 1.00 0.00 H new ATOM 0 HH TYR A 19 96.455 -4.703 -3.306 1.00 0.00 H new ATOM 307 N SER A 20 92.281 -12.290 -1.291 1.00 0.00 N ATOM 308 CA SER A 20 91.786 -13.567 -0.706 1.00 0.00 C ATOM 309 C SER A 20 92.786 -14.677 -1.019 1.00 0.00 C ATOM 310 O SER A 20 92.846 -15.684 -0.345 1.00 0.00 O ATOM 311 CB SER A 20 90.427 -13.914 -1.314 1.00 0.00 C ATOM 312 OG SER A 20 90.093 -15.254 -0.979 1.00 0.00 O ATOM 0 H SER A 20 91.593 -11.762 -1.828 1.00 0.00 H new ATOM 0 HA SER A 20 91.679 -13.462 0.374 1.00 0.00 H new ATOM 0 HB2 SER A 20 89.663 -13.232 -0.940 1.00 0.00 H new ATOM 0 HB3 SER A 20 90.459 -13.794 -2.397 1.00 0.00 H new ATOM 0 HG SER A 20 89.825 -15.737 -1.789 1.00 0.00 H new ATOM 318 N GLY A 21 93.576 -14.493 -2.038 1.00 0.00 N ATOM 319 CA GLY A 21 94.581 -15.533 -2.394 1.00 0.00 C ATOM 320 C GLY A 21 95.609 -15.645 -1.266 1.00 0.00 C ATOM 321 O GLY A 21 95.935 -16.724 -0.814 1.00 0.00 O ATOM 0 H GLY A 21 93.570 -13.669 -2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 21 94.089 -16.493 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 21 95.076 -15.272 -3.329 1.00 0.00 H new ATOM 325 N LYS A 22 96.119 -14.534 -0.809 1.00 0.00 N ATOM 326 CA LYS A 22 97.125 -14.565 0.290 1.00 0.00 C ATOM 327 C LYS A 22 96.452 -15.066 1.565 1.00 0.00 C ATOM 328 O LYS A 22 96.943 -15.948 2.239 1.00 0.00 O ATOM 329 CB LYS A 22 97.644 -13.149 0.536 1.00 0.00 C ATOM 330 CG LYS A 22 98.126 -12.540 -0.785 1.00 0.00 C ATOM 331 CD LYS A 22 98.465 -11.049 -0.588 1.00 0.00 C ATOM 332 CE LYS A 22 98.306 -10.299 -1.913 1.00 0.00 C ATOM 333 NZ LYS A 22 99.322 -10.783 -2.889 1.00 0.00 N ATOM 0 H LYS A 22 95.881 -13.603 -1.151 1.00 0.00 H new ATOM 0 HA LYS A 22 97.950 -15.223 0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 22 96.855 -12.532 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 22 98.461 -13.171 1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 22 99.005 -13.077 -1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 22 97.354 -12.648 -1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 22 97.809 -10.615 0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 22 99.486 -10.945 -0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 22 97.303 -10.453 -2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 22 98.424 -9.227 -1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 99.302 -10.182 -3.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 100.267 -10.740 -2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 99.107 -11.765 -3.155 1.00 0.00 H new ATOM 347 N GLU A 23 95.324 -14.497 1.899 1.00 0.00 N ATOM 348 CA GLU A 23 94.609 -14.930 3.137 1.00 0.00 C ATOM 349 C GLU A 23 93.896 -16.258 2.876 1.00 0.00 C ATOM 350 O GLU A 23 93.373 -16.496 1.807 1.00 0.00 O ATOM 351 CB GLU A 23 93.581 -13.871 3.539 1.00 0.00 C ATOM 352 CG GLU A 23 92.928 -14.245 4.877 1.00 0.00 C ATOM 353 CD GLU A 23 93.977 -14.227 5.993 1.00 0.00 C ATOM 354 OE1 GLU A 23 95.023 -13.633 5.787 1.00 0.00 O ATOM 355 OE2 GLU A 23 93.714 -14.805 7.035 1.00 0.00 O ATOM 0 H GLU A 23 94.867 -13.754 1.371 1.00 0.00 H new ATOM 0 HA GLU A 23 95.331 -15.055 3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 23 94.065 -12.898 3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 23 92.818 -13.783 2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 23 92.126 -13.544 5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 23 92.476 -15.234 4.807 1.00 0.00 H new ATOM 362 N GLY A 24 93.877 -17.123 3.849 1.00 0.00 N ATOM 363 CA GLY A 24 93.204 -18.441 3.668 1.00 0.00 C ATOM 364 C GLY A 24 91.681 -18.260 3.617 1.00 0.00 C ATOM 365 O GLY A 24 91.000 -18.886 2.830 1.00 0.00 O ATOM 0 H GLY A 24 94.299 -16.975 4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 24 93.552 -18.911 2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 24 93.470 -19.108 4.488 1.00 0.00 H new ATOM 369 N ASP A 25 91.138 -17.417 4.458 1.00 0.00 N ATOM 370 CA ASP A 25 89.657 -17.210 4.465 1.00 0.00 C ATOM 371 C ASP A 25 89.261 -16.170 3.416 1.00 0.00 C ATOM 372 O ASP A 25 89.747 -15.057 3.408 1.00 0.00 O ATOM 373 CB ASP A 25 89.218 -16.726 5.850 1.00 0.00 C ATOM 374 CG ASP A 25 89.301 -17.883 6.850 1.00 0.00 C ATOM 375 OD1 ASP A 25 89.214 -19.021 6.419 1.00 0.00 O ATOM 376 OD2 ASP A 25 89.451 -17.610 8.030 1.00 0.00 O ATOM 0 H ASP A 25 91.656 -16.863 5.140 1.00 0.00 H new ATOM 0 HA ASP A 25 89.167 -18.155 4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 25 89.854 -15.903 6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 25 88.199 -16.343 5.806 1.00 0.00 H new ATOM 381 N LYS A 26 88.367 -16.533 2.532 1.00 0.00 N ATOM 382 CA LYS A 26 87.908 -15.584 1.474 1.00 0.00 C ATOM 383 C LYS A 26 86.682 -14.812 1.961 1.00 0.00 C ATOM 384 O LYS A 26 86.302 -13.812 1.389 1.00 0.00 O ATOM 385 CB LYS A 26 87.556 -16.374 0.208 1.00 0.00 C ATOM 386 CG LYS A 26 87.059 -15.418 -0.881 1.00 0.00 C ATOM 387 CD LYS A 26 86.959 -16.160 -2.220 1.00 0.00 C ATOM 388 CE LYS A 26 85.824 -17.189 -2.170 1.00 0.00 C ATOM 389 NZ LYS A 26 85.500 -17.637 -3.554 1.00 0.00 N ATOM 0 H LYS A 26 87.932 -17.455 2.498 1.00 0.00 H new ATOM 0 HA LYS A 26 88.705 -14.874 1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 26 88.431 -16.919 -0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 26 86.788 -17.114 0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 26 86.085 -15.014 -0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 26 87.740 -14.572 -0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 26 86.780 -15.449 -3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 26 87.903 -16.659 -2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 26 86.119 -18.042 -1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 26 84.942 -16.752 -1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 84.730 -18.335 -3.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 85.202 -16.819 -4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 86.342 -18.070 -3.985 1.00 0.00 H new ATOM 403 N PHE A 27 86.055 -15.266 3.010 1.00 0.00 N ATOM 404 CA PHE A 27 84.848 -14.552 3.522 1.00 0.00 C ATOM 405 C PHE A 27 85.273 -13.434 4.475 1.00 0.00 C ATOM 406 O PHE A 27 84.459 -12.652 4.925 1.00 0.00 O ATOM 407 CB PHE A 27 83.950 -15.543 4.271 1.00 0.00 C ATOM 408 CG PHE A 27 82.754 -14.819 4.851 1.00 0.00 C ATOM 409 CD1 PHE A 27 81.578 -14.692 4.100 1.00 0.00 C ATOM 410 CD2 PHE A 27 82.819 -14.283 6.144 1.00 0.00 C ATOM 411 CE1 PHE A 27 80.469 -14.027 4.641 1.00 0.00 C ATOM 412 CE2 PHE A 27 81.711 -13.619 6.683 1.00 0.00 C ATOM 413 CZ PHE A 27 80.536 -13.490 5.933 1.00 0.00 C ATOM 0 H PHE A 27 86.324 -16.098 3.535 1.00 0.00 H new ATOM 0 HA PHE A 27 84.302 -14.122 2.683 1.00 0.00 H new ATOM 0 HB2 PHE A 27 83.617 -16.329 3.593 1.00 0.00 H new ATOM 0 HB3 PHE A 27 84.514 -16.028 5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 27 81.526 -15.107 3.104 1.00 0.00 H new ATOM 0 HD2 PHE A 27 83.724 -14.382 6.725 1.00 0.00 H new ATOM 0 HE1 PHE A 27 79.563 -13.929 4.062 1.00 0.00 H new ATOM 0 HE2 PHE A 27 81.763 -13.205 7.679 1.00 0.00 H new ATOM 0 HZ PHE A 27 79.682 -12.977 6.350 1.00 0.00 H new ATOM 423 N LYS A 28 86.536 -13.351 4.800 1.00 0.00 N ATOM 424 CA LYS A 28 86.976 -12.278 5.741 1.00 0.00 C ATOM 425 C LYS A 28 88.493 -12.063 5.651 1.00 0.00 C ATOM 426 O LYS A 28 89.223 -12.921 5.196 1.00 0.00 O ATOM 427 CB LYS A 28 86.596 -12.692 7.165 1.00 0.00 C ATOM 428 CG LYS A 28 87.154 -14.089 7.455 1.00 0.00 C ATOM 429 CD LYS A 28 86.779 -14.516 8.878 1.00 0.00 C ATOM 430 CE LYS A 28 87.384 -15.892 9.172 1.00 0.00 C ATOM 431 NZ LYS A 28 86.855 -16.409 10.468 1.00 0.00 N ATOM 0 H LYS A 28 87.273 -13.969 4.461 1.00 0.00 H new ATOM 0 HA LYS A 28 86.485 -11.342 5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 28 86.993 -11.974 7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 28 85.512 -12.691 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 28 86.758 -14.805 6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 28 88.238 -14.088 7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 28 87.146 -13.784 9.598 1.00 0.00 H new ATOM 0 HD3 LYS A 28 85.695 -14.553 8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 28 87.142 -16.586 8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 28 88.471 -15.820 9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 87.268 -17.343 10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 87.108 -15.751 11.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 85.820 -16.493 10.412 1.00 0.00 H new ATOM 445 N LEU A 29 88.972 -10.930 6.119 1.00 0.00 N ATOM 446 CA LEU A 29 90.449 -10.653 6.108 1.00 0.00 C ATOM 447 C LEU A 29 90.849 -10.220 7.508 1.00 0.00 C ATOM 448 O LEU A 29 90.011 -9.997 8.359 1.00 0.00 O ATOM 449 CB LEU A 29 90.834 -9.500 5.158 1.00 0.00 C ATOM 450 CG LEU A 29 90.167 -9.616 3.790 1.00 0.00 C ATOM 451 CD1 LEU A 29 90.466 -8.331 3.003 1.00 0.00 C ATOM 452 CD2 LEU A 29 90.738 -10.816 3.028 1.00 0.00 C ATOM 0 H LEU A 29 88.400 -10.182 6.510 1.00 0.00 H new ATOM 0 HA LEU A 29 90.952 -11.560 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 29 90.555 -8.550 5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 29 91.916 -9.486 5.030 1.00 0.00 H new ATOM 0 HG LEU A 29 89.093 -9.754 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 29 89.999 -8.390 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 29 90.067 -7.472 3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 29 91.544 -8.218 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 29 90.256 -10.891 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 29 91.812 -10.684 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 29 90.553 -11.728 3.595 1.00 0.00 H new ATOM 464 N ASN A 30 92.119 -10.062 7.745 1.00 0.00 N ATOM 465 CA ASN A 30 92.572 -9.593 9.080 1.00 0.00 C ATOM 466 C ASN A 30 92.780 -8.080 9.006 1.00 0.00 C ATOM 467 O ASN A 30 93.396 -7.579 8.090 1.00 0.00 O ATOM 468 CB ASN A 30 93.884 -10.285 9.458 1.00 0.00 C ATOM 469 CG ASN A 30 93.609 -11.754 9.782 1.00 0.00 C ATOM 470 OD1 ASN A 30 92.491 -12.122 10.085 1.00 0.00 O ATOM 471 ND2 ASN A 30 94.588 -12.614 9.733 1.00 0.00 N ATOM 0 H ASN A 30 92.864 -10.238 7.070 1.00 0.00 H new ATOM 0 HA ASN A 30 91.827 -9.833 9.838 1.00 0.00 H new ATOM 0 HB2 ASN A 30 94.597 -10.210 8.637 1.00 0.00 H new ATOM 0 HB3 ASN A 30 94.334 -9.790 10.318 1.00 0.00 H new ATOM 0 HD21 ASN A 30 94.416 -13.596 9.949 1.00 0.00 H new ATOM 0 HD22 ASN A 30 95.526 -12.305 9.479 1.00 0.00 H new ATOM 478 N LYS A 31 92.256 -7.349 9.952 1.00 0.00 N ATOM 479 CA LYS A 31 92.405 -5.866 9.931 1.00 0.00 C ATOM 480 C LYS A 31 93.844 -5.492 9.577 1.00 0.00 C ATOM 481 O LYS A 31 94.095 -4.473 8.991 1.00 0.00 O ATOM 482 CB LYS A 31 92.037 -5.277 11.299 1.00 0.00 C ATOM 483 CG LYS A 31 90.527 -5.380 11.524 1.00 0.00 C ATOM 484 CD LYS A 31 90.134 -4.559 12.755 1.00 0.00 C ATOM 485 CE LYS A 31 88.685 -4.870 13.132 1.00 0.00 C ATOM 486 NZ LYS A 31 88.321 -4.130 14.372 1.00 0.00 N ATOM 0 H LYS A 31 91.728 -7.718 10.743 1.00 0.00 H new ATOM 0 HA LYS A 31 91.732 -5.457 9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 31 92.568 -5.810 12.088 1.00 0.00 H new ATOM 0 HB3 LYS A 31 92.351 -4.234 11.352 1.00 0.00 H new ATOM 0 HG2 LYS A 31 89.993 -5.016 10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 31 90.240 -6.422 11.663 1.00 0.00 H new ATOM 0 HD2 LYS A 31 90.796 -4.793 13.588 1.00 0.00 H new ATOM 0 HD3 LYS A 31 90.247 -3.495 12.547 1.00 0.00 H new ATOM 0 HE2 LYS A 31 88.018 -4.586 12.318 1.00 0.00 H new ATOM 0 HE3 LYS A 31 88.561 -5.942 13.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 87.890 -4.786 15.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 89.176 -3.710 14.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 87.643 -3.377 14.140 1.00 0.00 H new ATOM 500 N SER A 32 94.791 -6.315 9.885 1.00 0.00 N ATOM 501 CA SER A 32 96.185 -5.971 9.504 1.00 0.00 C ATOM 502 C SER A 32 96.209 -5.842 7.991 1.00 0.00 C ATOM 503 O SER A 32 96.827 -4.956 7.436 1.00 0.00 O ATOM 504 CB SER A 32 97.158 -7.057 9.925 1.00 0.00 C ATOM 505 OG SER A 32 97.116 -7.216 11.337 1.00 0.00 O ATOM 0 H SER A 32 94.670 -7.200 10.377 1.00 0.00 H new ATOM 0 HA SER A 32 96.486 -5.048 9.999 1.00 0.00 H new ATOM 0 HB2 SER A 32 96.903 -7.997 9.436 1.00 0.00 H new ATOM 0 HB3 SER A 32 98.168 -6.797 9.608 1.00 0.00 H new ATOM 0 HG SER A 32 97.744 -7.919 11.606 1.00 0.00 H new ATOM 511 N GLU A 33 95.507 -6.714 7.320 1.00 0.00 N ATOM 512 CA GLU A 33 95.460 -6.632 5.844 1.00 0.00 C ATOM 513 C GLU A 33 94.881 -5.286 5.484 1.00 0.00 C ATOM 514 O GLU A 33 95.120 -4.777 4.423 1.00 0.00 O ATOM 515 CB GLU A 33 94.603 -7.762 5.267 1.00 0.00 C ATOM 516 CG GLU A 33 95.321 -9.097 5.478 1.00 0.00 C ATOM 517 CD GLU A 33 94.524 -10.220 4.813 1.00 0.00 C ATOM 518 OE1 GLU A 33 93.863 -9.945 3.826 1.00 0.00 O ATOM 519 OE2 GLU A 33 94.586 -11.334 5.305 1.00 0.00 O ATOM 0 H GLU A 33 94.968 -7.475 7.734 1.00 0.00 H new ATOM 0 HA GLU A 33 96.460 -6.740 5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 33 93.628 -7.779 5.753 1.00 0.00 H new ATOM 0 HB3 GLU A 33 94.427 -7.594 4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 33 96.325 -9.052 5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 33 95.431 -9.298 6.544 1.00 0.00 H new ATOM 526 N LEU A 34 94.142 -4.677 6.360 1.00 0.00 N ATOM 527 CA LEU A 34 93.613 -3.330 6.005 1.00 0.00 C ATOM 528 C LEU A 34 94.829 -2.450 5.752 1.00 0.00 C ATOM 529 O LEU A 34 94.871 -1.668 4.824 1.00 0.00 O ATOM 530 CB LEU A 34 92.788 -2.763 7.184 1.00 0.00 C ATOM 531 CG LEU A 34 92.134 -1.373 6.909 1.00 0.00 C ATOM 532 CD1 LEU A 34 93.077 -0.219 7.326 1.00 0.00 C ATOM 533 CD2 LEU A 34 91.747 -1.213 5.438 1.00 0.00 C ATOM 0 H LEU A 34 93.885 -5.035 7.280 1.00 0.00 H new ATOM 0 HA LEU A 34 92.963 -3.373 5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 34 92.003 -3.476 7.437 1.00 0.00 H new ATOM 0 HB3 LEU A 34 93.436 -2.679 8.057 1.00 0.00 H new ATOM 0 HG LEU A 34 91.227 -1.326 7.512 1.00 0.00 H new ATOM 0 HD11 LEU A 34 92.594 0.737 7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 34 93.297 -0.295 8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 34 94.005 -0.285 6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 34 91.295 -0.233 5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 34 92.637 -1.303 4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 34 91.033 -1.989 5.163 1.00 0.00 H new ATOM 545 N LYS A 35 95.836 -2.585 6.569 1.00 0.00 N ATOM 546 CA LYS A 35 97.048 -1.762 6.361 1.00 0.00 C ATOM 547 C LYS A 35 97.797 -2.250 5.124 1.00 0.00 C ATOM 548 O LYS A 35 98.112 -1.486 4.234 1.00 0.00 O ATOM 549 CB LYS A 35 97.946 -1.875 7.590 1.00 0.00 C ATOM 550 CG LYS A 35 99.135 -0.927 7.453 1.00 0.00 C ATOM 551 CD LYS A 35 100.020 -1.057 8.691 1.00 0.00 C ATOM 552 CE LYS A 35 101.095 0.028 8.669 1.00 0.00 C ATOM 553 NZ LYS A 35 101.964 -0.158 7.474 1.00 0.00 N ATOM 0 H LYS A 35 95.868 -3.224 7.363 1.00 0.00 H new ATOM 0 HA LYS A 35 96.763 -0.720 6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 35 97.379 -1.634 8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 35 98.298 -2.901 7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 35 99.706 -1.166 6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 35 98.787 0.100 7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 35 99.416 -0.966 9.594 1.00 0.00 H new ATOM 0 HD3 LYS A 35 100.484 -2.043 8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 35 100.631 1.014 8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 35 101.694 -0.020 9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 102.824 0.417 7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 102.226 -1.161 7.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 101.449 0.139 6.621 1.00 0.00 H new ATOM 567 N GLU A 36 98.088 -3.519 5.060 1.00 0.00 N ATOM 568 CA GLU A 36 98.821 -4.049 3.879 1.00 0.00 C ATOM 569 C GLU A 36 97.948 -3.968 2.630 1.00 0.00 C ATOM 570 O GLU A 36 98.420 -3.641 1.559 1.00 0.00 O ATOM 571 CB GLU A 36 99.238 -5.498 4.127 1.00 0.00 C ATOM 572 CG GLU A 36 99.980 -6.024 2.899 1.00 0.00 C ATOM 573 CD GLU A 36 100.617 -7.377 3.224 1.00 0.00 C ATOM 574 OE1 GLU A 36 99.878 -8.336 3.376 1.00 0.00 O ATOM 575 OE2 GLU A 36 101.832 -7.430 3.319 1.00 0.00 O ATOM 0 H GLU A 36 97.851 -4.209 5.772 1.00 0.00 H new ATOM 0 HA GLU A 36 99.713 -3.442 3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 36 99.878 -5.559 5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.360 -6.112 4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 36 99.290 -6.127 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 36 100.748 -5.313 2.594 1.00 0.00 H new ATOM 582 N LEU A 37 96.681 -4.261 2.739 1.00 0.00 N ATOM 583 CA LEU A 37 95.816 -4.188 1.538 1.00 0.00 C ATOM 584 C LEU A 37 95.847 -2.763 1.033 1.00 0.00 C ATOM 585 O LEU A 37 95.905 -2.510 -0.154 1.00 0.00 O ATOM 586 CB LEU A 37 94.373 -4.583 1.905 1.00 0.00 C ATOM 587 CG LEU A 37 93.462 -4.565 0.651 1.00 0.00 C ATOM 588 CD1 LEU A 37 92.279 -5.522 0.868 1.00 0.00 C ATOM 589 CD2 LEU A 37 92.922 -3.140 0.370 1.00 0.00 C ATOM 0 H LEU A 37 96.215 -4.545 3.601 1.00 0.00 H new ATOM 0 HA LEU A 37 96.174 -4.873 0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 37 94.366 -5.577 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 37 93.982 -3.895 2.654 1.00 0.00 H new ATOM 0 HG LEU A 37 94.054 -4.883 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 37 91.636 -5.512 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 37 92.654 -6.532 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 37 91.707 -5.202 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 37 92.287 -3.160 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 37 92.341 -2.796 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 37 93.758 -2.461 0.202 1.00 0.00 H new ATOM 601 N LEU A 38 95.823 -1.819 1.929 1.00 0.00 N ATOM 602 CA LEU A 38 95.856 -0.396 1.477 1.00 0.00 C ATOM 603 C LEU A 38 97.253 -0.011 1.020 1.00 0.00 C ATOM 604 O LEU A 38 97.421 0.694 0.045 1.00 0.00 O ATOM 605 CB LEU A 38 95.390 0.537 2.600 1.00 0.00 C ATOM 606 CG LEU A 38 93.859 0.489 2.705 1.00 0.00 C ATOM 607 CD1 LEU A 38 93.416 1.311 3.918 1.00 0.00 C ATOM 608 CD2 LEU A 38 93.218 1.048 1.413 1.00 0.00 C ATOM 0 H LEU A 38 95.783 -1.963 2.938 1.00 0.00 H new ATOM 0 HA LEU A 38 95.174 -0.292 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 38 95.839 0.237 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 38 95.719 1.557 2.400 1.00 0.00 H new ATOM 0 HG LEU A 38 93.533 -0.544 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 38 92.329 1.282 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 38 93.859 0.893 4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 38 93.743 2.344 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 38 92.132 1.009 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 38 93.533 2.081 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 38 93.536 0.448 0.560 1.00 0.00 H new ATOM 620 N THR A 39 98.257 -0.450 1.705 1.00 0.00 N ATOM 621 CA THR A 39 99.625 -0.080 1.286 1.00 0.00 C ATOM 622 C THR A 39 99.961 -0.782 -0.029 1.00 0.00 C ATOM 623 O THR A 39 100.789 -0.321 -0.790 1.00 0.00 O ATOM 624 CB THR A 39 100.628 -0.488 2.361 1.00 0.00 C ATOM 625 OG1 THR A 39 100.145 -0.083 3.636 1.00 0.00 O ATOM 626 CG2 THR A 39 101.957 0.203 2.079 1.00 0.00 C ATOM 0 H THR A 39 98.193 -1.045 2.531 1.00 0.00 H new ATOM 0 HA THR A 39 99.679 1.000 1.145 1.00 0.00 H new ATOM 0 HB THR A 39 100.762 -1.570 2.354 1.00 0.00 H new ATOM 0 HG1 THR A 39 99.600 -0.800 4.022 1.00 0.00 H new ATOM 0 HG21 THR A 39 102.683 -0.080 2.841 1.00 0.00 H new ATOM 0 HG22 THR A 39 102.323 -0.099 1.098 1.00 0.00 H new ATOM 0 HG23 THR A 39 101.816 1.284 2.096 1.00 0.00 H new ATOM 634 N ARG A 40 99.326 -1.895 -0.313 1.00 0.00 N ATOM 635 CA ARG A 40 99.620 -2.617 -1.590 1.00 0.00 C ATOM 636 C ARG A 40 98.607 -2.222 -2.663 1.00 0.00 C ATOM 637 O ARG A 40 98.848 -2.411 -3.839 1.00 0.00 O ATOM 638 CB ARG A 40 99.566 -4.134 -1.371 1.00 0.00 C ATOM 639 CG ARG A 40 100.760 -4.573 -0.515 1.00 0.00 C ATOM 640 CD ARG A 40 100.852 -6.100 -0.501 1.00 0.00 C ATOM 641 NE ARG A 40 102.015 -6.512 0.336 1.00 0.00 N ATOM 642 CZ ARG A 40 102.138 -7.751 0.729 1.00 0.00 C ATOM 643 NH1 ARG A 40 101.217 -8.627 0.434 1.00 0.00 N ATOM 644 NH2 ARG A 40 103.179 -8.111 1.427 1.00 0.00 N ATOM 0 H ARG A 40 98.621 -2.332 0.281 1.00 0.00 H new ATOM 0 HA ARG A 40 100.621 -2.339 -1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 40 98.633 -4.408 -0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 40 99.584 -4.651 -2.330 1.00 0.00 H new ATOM 0 HG2 ARG A 40 101.681 -4.147 -0.913 1.00 0.00 H new ATOM 0 HG3 ARG A 40 100.649 -4.197 0.502 1.00 0.00 H new ATOM 0 HD2 ARG A 40 99.932 -6.528 -0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 40 100.967 -6.479 -1.517 1.00 0.00 H new ATOM 0 HE ARG A 40 102.718 -5.823 0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 40 100.398 -8.345 -0.105 1.00 0.00 H new ATOM 0 HH12 ARG A 40 101.316 -9.594 0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 40 103.895 -7.425 1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 40 103.277 -9.078 1.735 1.00 0.00 H new ATOM 658 N GLU A 41 97.475 -1.673 -2.280 1.00 0.00 N ATOM 659 CA GLU A 41 96.453 -1.270 -3.302 1.00 0.00 C ATOM 660 C GLU A 41 96.400 0.240 -3.386 1.00 0.00 C ATOM 661 O GLU A 41 95.981 0.800 -4.380 1.00 0.00 O ATOM 662 CB GLU A 41 95.076 -1.822 -2.910 1.00 0.00 C ATOM 663 CG GLU A 41 94.129 -1.753 -4.113 1.00 0.00 C ATOM 664 CD GLU A 41 92.837 -2.506 -3.793 1.00 0.00 C ATOM 665 OE1 GLU A 41 92.735 -3.030 -2.696 1.00 0.00 O ATOM 666 OE2 GLU A 41 91.971 -2.545 -4.651 1.00 0.00 O ATOM 0 H GLU A 41 97.216 -1.488 -1.311 1.00 0.00 H new ATOM 0 HA GLU A 41 96.730 -1.678 -4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 41 95.171 -2.853 -2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 41 94.666 -1.247 -2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 41 93.906 -0.714 -4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 41 94.607 -2.188 -4.991 1.00 0.00 H new ATOM 673 N LEU A 42 96.833 0.913 -2.360 1.00 0.00 N ATOM 674 CA LEU A 42 96.824 2.402 -2.389 1.00 0.00 C ATOM 675 C LEU A 42 98.074 2.921 -1.656 1.00 0.00 C ATOM 676 O LEU A 42 98.016 3.206 -0.480 1.00 0.00 O ATOM 677 CB LEU A 42 95.566 2.935 -1.680 1.00 0.00 C ATOM 678 CG LEU A 42 94.295 2.608 -2.492 1.00 0.00 C ATOM 679 CD1 LEU A 42 93.043 2.959 -1.661 1.00 0.00 C ATOM 680 CD2 LEU A 42 94.284 3.406 -3.815 1.00 0.00 C ATOM 0 H LEU A 42 97.193 0.497 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 42 96.823 2.744 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 42 95.490 2.495 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 42 95.649 4.014 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 42 94.289 1.543 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 42 92.147 2.727 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 42 93.043 2.377 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 42 93.053 4.022 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 42 93.382 3.165 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 42 94.301 4.474 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 42 95.161 3.143 -4.406 1.00 0.00 H new ATOM 692 N PRO A 43 99.204 3.034 -2.320 1.00 0.00 N ATOM 693 CA PRO A 43 100.436 3.523 -1.641 1.00 0.00 C ATOM 694 C PRO A 43 100.420 5.052 -1.422 1.00 0.00 C ATOM 695 O PRO A 43 99.838 5.538 -0.473 1.00 0.00 O ATOM 696 CB PRO A 43 101.539 3.077 -2.622 1.00 0.00 C ATOM 697 CG PRO A 43 100.872 2.779 -3.982 1.00 0.00 C ATOM 698 CD PRO A 43 99.348 2.683 -3.762 1.00 0.00 C ATOM 0 HA PRO A 43 100.566 3.128 -0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 43 102.292 3.857 -2.729 1.00 0.00 H new ATOM 0 HB3 PRO A 43 102.049 2.191 -2.245 1.00 0.00 H new ATOM 0 HG2 PRO A 43 101.103 3.566 -4.699 1.00 0.00 H new ATOM 0 HG3 PRO A 43 101.255 1.847 -4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 43 98.802 3.374 -4.404 1.00 0.00 H new ATOM 0 HD3 PRO A 43 98.970 1.683 -3.975 1.00 0.00 H new ATOM 706 N SER A 44 101.057 5.808 -2.277 1.00 0.00 N ATOM 707 CA SER A 44 101.082 7.292 -2.098 1.00 0.00 C ATOM 708 C SER A 44 99.664 7.869 -2.139 1.00 0.00 C ATOM 709 O SER A 44 99.337 8.766 -1.400 1.00 0.00 O ATOM 710 CB SER A 44 101.914 7.926 -3.212 1.00 0.00 C ATOM 711 OG SER A 44 103.275 7.552 -3.054 1.00 0.00 O ATOM 0 H SER A 44 101.562 5.463 -3.093 1.00 0.00 H new ATOM 0 HA SER A 44 101.524 7.515 -1.127 1.00 0.00 H new ATOM 0 HB2 SER A 44 101.547 7.601 -4.185 1.00 0.00 H new ATOM 0 HB3 SER A 44 101.817 9.011 -3.181 1.00 0.00 H new ATOM 0 HG SER A 44 103.810 7.956 -3.768 1.00 0.00 H new ATOM 717 N PHE A 45 98.833 7.375 -3.012 1.00 0.00 N ATOM 718 CA PHE A 45 97.438 7.907 -3.127 1.00 0.00 C ATOM 719 C PHE A 45 96.726 7.875 -1.773 1.00 0.00 C ATOM 720 O PHE A 45 95.684 8.477 -1.597 1.00 0.00 O ATOM 721 CB PHE A 45 96.659 7.031 -4.097 1.00 0.00 C ATOM 722 CG PHE A 45 95.281 7.616 -4.312 1.00 0.00 C ATOM 723 CD1 PHE A 45 94.224 7.237 -3.477 1.00 0.00 C ATOM 724 CD2 PHE A 45 95.061 8.535 -5.347 1.00 0.00 C ATOM 725 CE1 PHE A 45 92.946 7.775 -3.674 1.00 0.00 C ATOM 726 CE2 PHE A 45 93.782 9.073 -5.545 1.00 0.00 C ATOM 727 CZ PHE A 45 92.726 8.693 -4.708 1.00 0.00 C ATOM 0 H PHE A 45 99.058 6.619 -3.659 1.00 0.00 H new ATOM 0 HA PHE A 45 97.487 8.938 -3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 45 97.189 6.963 -5.047 1.00 0.00 H new ATOM 0 HB3 PHE A 45 96.578 6.018 -3.704 1.00 0.00 H new ATOM 0 HD1 PHE A 45 94.394 6.529 -2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 45 95.876 8.828 -5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 45 92.131 7.482 -3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 45 93.611 9.780 -6.343 1.00 0.00 H new ATOM 0 HZ PHE A 45 91.741 9.108 -4.860 1.00 0.00 H new ATOM 737 N LEU A 46 97.275 7.173 -0.824 1.00 0.00 N ATOM 738 CA LEU A 46 96.640 7.078 0.537 1.00 0.00 C ATOM 739 C LEU A 46 97.707 7.392 1.570 1.00 0.00 C ATOM 740 O LEU A 46 97.506 8.172 2.478 1.00 0.00 O ATOM 741 CB LEU A 46 96.086 5.662 0.754 1.00 0.00 C ATOM 742 CG LEU A 46 95.723 5.431 2.251 1.00 0.00 C ATOM 743 CD1 LEU A 46 94.401 4.656 2.369 1.00 0.00 C ATOM 744 CD2 LEU A 46 96.835 4.617 2.942 1.00 0.00 C ATOM 0 H LEU A 46 98.146 6.652 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 46 95.814 7.783 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 46 95.202 5.514 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 46 96.824 4.926 0.437 1.00 0.00 H new ATOM 0 HG LEU A 46 95.619 6.404 2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 46 94.162 4.503 3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 46 93.602 5.225 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 46 94.501 3.689 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 46 96.574 4.460 3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 46 96.942 3.652 2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 46 97.777 5.163 2.881 1.00 0.00 H new ATOM 756 N GLY A 47 98.865 6.832 1.394 1.00 0.00 N ATOM 757 CA GLY A 47 99.985 7.138 2.317 1.00 0.00 C ATOM 758 C GLY A 47 100.578 8.443 1.814 1.00 0.00 C ATOM 759 O GLY A 47 101.726 8.766 2.045 1.00 0.00 O ATOM 0 H GLY A 47 99.085 6.173 0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 47 99.632 7.237 3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 47 100.728 6.341 2.311 1.00 0.00 H new ATOM 763 N LYS A 48 99.778 9.173 1.079 1.00 0.00 N ATOM 764 CA LYS A 48 100.232 10.450 0.483 1.00 0.00 C ATOM 765 C LYS A 48 100.986 11.287 1.531 1.00 0.00 C ATOM 766 O LYS A 48 101.630 12.263 1.206 1.00 0.00 O ATOM 767 CB LYS A 48 99.007 11.232 -0.028 1.00 0.00 C ATOM 768 CG LYS A 48 99.436 12.282 -1.075 1.00 0.00 C ATOM 769 CD LYS A 48 98.250 12.640 -1.979 1.00 0.00 C ATOM 770 CE LYS A 48 97.222 13.452 -1.193 1.00 0.00 C ATOM 771 NZ LYS A 48 96.160 13.936 -2.121 1.00 0.00 N ATOM 0 H LYS A 48 98.811 8.926 0.867 1.00 0.00 H new ATOM 0 HA LYS A 48 100.907 10.241 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 48 98.286 10.543 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 48 98.508 11.724 0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 48 99.804 13.177 -0.574 1.00 0.00 H new ATOM 0 HG3 LYS A 48 100.257 11.893 -1.677 1.00 0.00 H new ATOM 0 HD2 LYS A 48 98.597 13.212 -2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 48 97.789 11.731 -2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 48 96.782 12.839 -0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 48 97.706 14.297 -0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 95.459 14.489 -1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 96.588 14.535 -2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 95.692 13.122 -2.567 1.00 0.00 H new ATOM 785 N ARG A 49 100.902 10.904 2.781 1.00 0.00 N ATOM 786 CA ARG A 49 101.604 11.651 3.871 1.00 0.00 C ATOM 787 C ARG A 49 101.028 13.067 4.012 1.00 0.00 C ATOM 788 O ARG A 49 101.752 14.040 4.060 1.00 0.00 O ATOM 789 CB ARG A 49 103.109 11.728 3.569 1.00 0.00 C ATOM 790 CG ARG A 49 103.874 12.140 4.834 1.00 0.00 C ATOM 791 CD ARG A 49 105.371 12.215 4.527 1.00 0.00 C ATOM 792 NE ARG A 49 105.898 10.839 4.309 1.00 0.00 N ATOM 793 CZ ARG A 49 107.075 10.666 3.774 1.00 0.00 C ATOM 794 NH1 ARG A 49 107.801 11.697 3.440 1.00 0.00 N ATOM 795 NH2 ARG A 49 107.528 9.459 3.575 1.00 0.00 N ATOM 0 H ARG A 49 100.369 10.094 3.097 1.00 0.00 H new ATOM 0 HA ARG A 49 101.452 11.118 4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 49 103.468 10.762 3.215 1.00 0.00 H new ATOM 0 HB3 ARG A 49 103.293 12.448 2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 49 103.516 13.107 5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 49 103.692 11.420 5.632 1.00 0.00 H new ATOM 0 HD2 ARG A 49 105.542 12.827 3.641 1.00 0.00 H new ATOM 0 HD3 ARG A 49 105.900 12.693 5.352 1.00 0.00 H new ATOM 0 HE ARG A 49 105.338 10.031 4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 49 107.449 12.641 3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 49 108.721 11.559 3.022 1.00 0.00 H new ATOM 0 HH21 ARG A 49 106.962 8.652 3.838 1.00 0.00 H new ATOM 0 HH22 ARG A 49 108.448 9.322 3.157 1.00 0.00 H new ATOM 809 N THR A 50 99.728 13.193 4.103 1.00 0.00 N ATOM 810 CA THR A 50 99.115 14.549 4.274 1.00 0.00 C ATOM 811 C THR A 50 98.880 14.785 5.767 1.00 0.00 C ATOM 812 O THR A 50 98.789 15.906 6.228 1.00 0.00 O ATOM 813 CB THR A 50 97.778 14.617 3.535 1.00 0.00 C ATOM 814 OG1 THR A 50 96.982 13.497 3.893 1.00 0.00 O ATOM 815 CG2 THR A 50 98.025 14.612 2.027 1.00 0.00 C ATOM 0 H THR A 50 99.065 12.419 4.067 1.00 0.00 H new ATOM 0 HA THR A 50 99.781 15.310 3.866 1.00 0.00 H new ATOM 0 HB THR A 50 97.257 15.534 3.811 1.00 0.00 H new ATOM 0 HG1 THR A 50 96.124 13.541 3.421 1.00 0.00 H new ATOM 0 HG21 THR A 50 97.071 14.660 1.502 1.00 0.00 H new ATOM 0 HG22 THR A 50 98.633 15.475 1.755 1.00 0.00 H new ATOM 0 HG23 THR A 50 98.547 13.697 1.747 1.00 0.00 H new ATOM 823 N ASP A 51 98.790 13.724 6.525 1.00 0.00 N ATOM 824 CA ASP A 51 98.570 13.854 7.993 1.00 0.00 C ATOM 825 C ASP A 51 98.864 12.506 8.655 1.00 0.00 C ATOM 826 O ASP A 51 99.507 12.432 9.684 1.00 0.00 O ATOM 827 CB ASP A 51 97.117 14.253 8.266 1.00 0.00 C ATOM 828 CG ASP A 51 96.953 14.598 9.747 1.00 0.00 C ATOM 829 OD1 ASP A 51 97.861 14.306 10.508 1.00 0.00 O ATOM 830 OD2 ASP A 51 95.921 15.148 10.096 1.00 0.00 O ATOM 0 H ASP A 51 98.860 12.765 6.185 1.00 0.00 H new ATOM 0 HA ASP A 51 99.230 14.621 8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 51 96.842 15.109 7.650 1.00 0.00 H new ATOM 0 HB3 ASP A 51 96.447 13.437 7.995 1.00 0.00 H new ATOM 835 N GLU A 52 98.397 11.440 8.058 1.00 0.00 N ATOM 836 CA GLU A 52 98.637 10.072 8.613 1.00 0.00 C ATOM 837 C GLU A 52 98.035 9.942 10.018 1.00 0.00 C ATOM 838 O GLU A 52 97.968 8.863 10.569 1.00 0.00 O ATOM 839 CB GLU A 52 100.147 9.807 8.682 1.00 0.00 C ATOM 840 CG GLU A 52 100.399 8.314 8.916 1.00 0.00 C ATOM 841 CD GLU A 52 101.900 8.029 8.829 1.00 0.00 C ATOM 842 OE1 GLU A 52 102.629 8.922 8.432 1.00 0.00 O ATOM 843 OE2 GLU A 52 102.292 6.922 9.157 1.00 0.00 O ATOM 0 H GLU A 52 97.851 11.459 7.196 1.00 0.00 H new ATOM 0 HA GLU A 52 98.159 9.343 7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 52 100.625 10.125 7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 52 100.592 10.391 9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 52 100.018 8.019 9.894 1.00 0.00 H new ATOM 0 HG3 GLU A 52 99.862 7.723 8.174 1.00 0.00 H new ATOM 850 N ALA A 53 97.596 11.018 10.609 1.00 0.00 N ATOM 851 CA ALA A 53 97.012 10.918 11.977 1.00 0.00 C ATOM 852 C ALA A 53 95.731 10.082 11.944 1.00 0.00 C ATOM 853 O ALA A 53 95.589 9.122 12.673 1.00 0.00 O ATOM 854 CB ALA A 53 96.698 12.322 12.500 1.00 0.00 C ATOM 0 H ALA A 53 97.615 11.956 10.208 1.00 0.00 H new ATOM 0 HA ALA A 53 97.731 10.434 12.638 1.00 0.00 H new ATOM 0 HB1 ALA A 53 96.271 12.251 13.500 1.00 0.00 H new ATOM 0 HB2 ALA A 53 97.615 12.910 12.538 1.00 0.00 H new ATOM 0 HB3 ALA A 53 95.984 12.807 11.834 1.00 0.00 H new ATOM 860 N ALA A 54 94.795 10.437 11.109 1.00 0.00 N ATOM 861 CA ALA A 54 93.527 9.655 11.043 1.00 0.00 C ATOM 862 C ALA A 54 93.823 8.241 10.576 1.00 0.00 C ATOM 863 O ALA A 54 93.331 7.275 11.123 1.00 0.00 O ATOM 864 CB ALA A 54 92.572 10.322 10.064 1.00 0.00 C ATOM 0 H ALA A 54 94.851 11.231 10.471 1.00 0.00 H new ATOM 0 HA ALA A 54 93.071 9.621 12.033 1.00 0.00 H new ATOM 0 HB1 ALA A 54 91.645 9.752 10.015 1.00 0.00 H new ATOM 0 HB2 ALA A 54 92.357 11.336 10.400 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.030 10.357 9.075 1.00 0.00 H new ATOM 870 N PHE A 55 94.632 8.107 9.575 1.00 0.00 N ATOM 871 CA PHE A 55 94.971 6.754 9.085 1.00 0.00 C ATOM 872 C PHE A 55 95.621 5.989 10.226 1.00 0.00 C ATOM 873 O PHE A 55 95.374 4.818 10.435 1.00 0.00 O ATOM 874 CB PHE A 55 95.964 6.877 7.943 1.00 0.00 C ATOM 875 CG PHE A 55 95.305 7.583 6.781 1.00 0.00 C ATOM 876 CD1 PHE A 55 94.618 6.843 5.811 1.00 0.00 C ATOM 877 CD2 PHE A 55 95.373 8.978 6.679 1.00 0.00 C ATOM 878 CE1 PHE A 55 94.002 7.499 4.738 1.00 0.00 C ATOM 879 CE2 PHE A 55 94.756 9.633 5.606 1.00 0.00 C ATOM 880 CZ PHE A 55 94.071 8.893 4.635 1.00 0.00 C ATOM 0 H PHE A 55 95.074 8.877 9.073 1.00 0.00 H new ATOM 0 HA PHE A 55 94.076 6.237 8.739 1.00 0.00 H new ATOM 0 HB2 PHE A 55 96.844 7.432 8.269 1.00 0.00 H new ATOM 0 HB3 PHE A 55 96.307 5.889 7.636 1.00 0.00 H new ATOM 0 HD1 PHE A 55 94.563 5.767 5.890 1.00 0.00 H new ATOM 0 HD2 PHE A 55 95.901 9.549 7.428 1.00 0.00 H new ATOM 0 HE1 PHE A 55 93.473 6.928 3.989 1.00 0.00 H new ATOM 0 HE2 PHE A 55 94.809 10.709 5.528 1.00 0.00 H new ATOM 0 HZ PHE A 55 93.596 9.398 3.807 1.00 0.00 H new ATOM 890 N GLN A 56 96.452 6.659 10.973 1.00 0.00 N ATOM 891 CA GLN A 56 97.126 5.994 12.115 1.00 0.00 C ATOM 892 C GLN A 56 96.068 5.504 13.085 1.00 0.00 C ATOM 893 O GLN A 56 96.213 4.478 13.720 1.00 0.00 O ATOM 894 CB GLN A 56 98.066 6.973 12.821 1.00 0.00 C ATOM 895 CG GLN A 56 98.749 6.267 13.993 1.00 0.00 C ATOM 896 CD GLN A 56 99.793 7.198 14.610 1.00 0.00 C ATOM 897 OE1 GLN A 56 99.482 8.308 14.994 1.00 0.00 O ATOM 898 NE2 GLN A 56 101.027 6.791 14.717 1.00 0.00 N ATOM 0 H GLN A 56 96.692 7.641 10.839 1.00 0.00 H new ATOM 0 HA GLN A 56 97.717 5.153 11.751 1.00 0.00 H new ATOM 0 HB2 GLN A 56 98.814 7.345 12.121 1.00 0.00 H new ATOM 0 HB3 GLN A 56 97.507 7.837 13.179 1.00 0.00 H new ATOM 0 HG2 GLN A 56 98.010 5.985 14.742 1.00 0.00 H new ATOM 0 HG3 GLN A 56 99.223 5.347 13.651 1.00 0.00 H new ATOM 0 HE21 GLN A 56 101.286 5.859 14.394 1.00 0.00 H new ATOM 0 HE22 GLN A 56 101.733 7.405 15.124 1.00 0.00 H new ATOM 907 N LYS A 57 94.998 6.226 13.195 1.00 0.00 N ATOM 908 CA LYS A 57 93.919 5.793 14.120 1.00 0.00 C ATOM 909 C LYS A 57 93.283 4.556 13.518 1.00 0.00 C ATOM 910 O LYS A 57 92.994 3.592 14.200 1.00 0.00 O ATOM 911 CB LYS A 57 92.867 6.896 14.305 1.00 0.00 C ATOM 912 CG LYS A 57 93.468 8.073 15.094 1.00 0.00 C ATOM 913 CD LYS A 57 92.353 8.883 15.776 1.00 0.00 C ATOM 914 CE LYS A 57 91.248 9.237 14.771 1.00 0.00 C ATOM 915 NZ LYS A 57 90.269 8.117 14.687 1.00 0.00 N ATOM 0 H LYS A 57 94.821 7.094 12.689 1.00 0.00 H new ATOM 0 HA LYS A 57 94.334 5.581 15.105 1.00 0.00 H new ATOM 0 HB2 LYS A 57 92.516 7.241 13.333 1.00 0.00 H new ATOM 0 HB3 LYS A 57 92.001 6.498 14.834 1.00 0.00 H new ATOM 0 HG2 LYS A 57 94.165 7.699 15.843 1.00 0.00 H new ATOM 0 HG3 LYS A 57 94.036 8.717 14.423 1.00 0.00 H new ATOM 0 HD2 LYS A 57 91.931 8.308 16.600 1.00 0.00 H new ATOM 0 HD3 LYS A 57 92.769 9.795 16.203 1.00 0.00 H new ATOM 0 HE2 LYS A 57 90.743 10.152 15.079 1.00 0.00 H new ATOM 0 HE3 LYS A 57 91.683 9.427 13.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 90.392 7.615 13.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 90.428 7.457 15.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 89.302 8.496 14.743 1.00 0.00 H new ATOM 929 N LEU A 58 93.111 4.556 12.231 1.00 0.00 N ATOM 930 CA LEU A 58 92.549 3.352 11.576 1.00 0.00 C ATOM 931 C LEU A 58 93.594 2.269 11.768 1.00 0.00 C ATOM 932 O LEU A 58 93.299 1.144 12.118 1.00 0.00 O ATOM 933 CB LEU A 58 92.314 3.620 10.078 1.00 0.00 C ATOM 934 CG LEU A 58 90.906 4.185 9.857 1.00 0.00 C ATOM 935 CD1 LEU A 58 90.798 5.570 10.496 1.00 0.00 C ATOM 936 CD2 LEU A 58 90.636 4.300 8.355 1.00 0.00 C ATOM 0 H LEU A 58 93.334 5.332 11.608 1.00 0.00 H new ATOM 0 HA LEU A 58 91.587 3.065 12.001 1.00 0.00 H new ATOM 0 HB2 LEU A 58 93.059 4.323 9.705 1.00 0.00 H new ATOM 0 HB3 LEU A 58 92.436 2.697 9.512 1.00 0.00 H new ATOM 0 HG LEU A 58 90.175 3.518 10.314 1.00 0.00 H new ATOM 0 HD11 LEU A 58 89.796 5.967 10.336 1.00 0.00 H new ATOM 0 HD12 LEU A 58 90.992 5.493 11.566 1.00 0.00 H new ATOM 0 HD13 LEU A 58 91.530 6.238 10.042 1.00 0.00 H new ATOM 0 HD21 LEU A 58 89.635 4.702 8.195 1.00 0.00 H new ATOM 0 HD22 LEU A 58 91.371 4.966 7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 58 90.709 3.314 7.896 1.00 0.00 H new ATOM 948 N MET A 59 94.831 2.631 11.583 1.00 0.00 N ATOM 949 CA MET A 59 95.921 1.652 11.801 1.00 0.00 C ATOM 950 C MET A 59 95.871 1.230 13.262 1.00 0.00 C ATOM 951 O MET A 59 96.054 0.082 13.612 1.00 0.00 O ATOM 952 CB MET A 59 97.284 2.279 11.510 1.00 0.00 C ATOM 953 CG MET A 59 98.356 1.185 11.471 1.00 0.00 C ATOM 954 SD MET A 59 98.779 0.694 13.161 1.00 0.00 S ATOM 955 CE MET A 59 100.289 -0.219 12.759 1.00 0.00 C ATOM 0 H MET A 59 95.131 3.561 11.291 1.00 0.00 H new ATOM 0 HA MET A 59 95.789 0.801 11.133 1.00 0.00 H new ATOM 0 HB2 MET A 59 97.256 2.809 10.558 1.00 0.00 H new ATOM 0 HB3 MET A 59 97.528 3.014 12.277 1.00 0.00 H new ATOM 0 HG2 MET A 59 97.992 0.324 10.911 1.00 0.00 H new ATOM 0 HG3 MET A 59 99.244 1.549 10.954 1.00 0.00 H new ATOM 0 HE1 MET A 59 100.727 -0.618 13.674 1.00 0.00 H new ATOM 0 HE2 MET A 59 100.049 -1.040 12.083 1.00 0.00 H new ATOM 0 HE3 MET A 59 101.002 0.451 12.278 1.00 0.00 H new ATOM 965 N SER A 60 95.621 2.172 14.117 1.00 0.00 N ATOM 966 CA SER A 60 95.538 1.852 15.568 1.00 0.00 C ATOM 967 C SER A 60 94.288 1.011 15.797 1.00 0.00 C ATOM 968 O SER A 60 94.175 0.292 16.770 1.00 0.00 O ATOM 969 CB SER A 60 95.443 3.145 16.381 1.00 0.00 C ATOM 970 OG SER A 60 95.748 2.867 17.742 1.00 0.00 O ATOM 0 H SER A 60 95.470 3.152 13.878 1.00 0.00 H new ATOM 0 HA SER A 60 96.427 1.306 15.884 1.00 0.00 H new ATOM 0 HB2 SER A 60 96.135 3.889 15.986 1.00 0.00 H new ATOM 0 HB3 SER A 60 94.441 3.567 16.300 1.00 0.00 H new ATOM 0 HG SER A 60 95.690 3.693 18.266 1.00 0.00 H new ATOM 976 N ASN A 61 93.343 1.097 14.908 1.00 0.00 N ATOM 977 CA ASN A 61 92.104 0.290 15.087 1.00 0.00 C ATOM 978 C ASN A 61 92.454 -1.175 14.854 1.00 0.00 C ATOM 979 O ASN A 61 91.987 -2.057 15.539 1.00 0.00 O ATOM 980 CB ASN A 61 91.023 0.740 14.101 1.00 0.00 C ATOM 981 CG ASN A 61 89.689 0.094 14.479 1.00 0.00 C ATOM 982 OD1 ASN A 61 89.287 0.126 15.627 1.00 0.00 O ATOM 983 ND2 ASN A 61 88.980 -0.494 13.557 1.00 0.00 N ATOM 0 H ASN A 61 93.371 1.683 14.074 1.00 0.00 H new ATOM 0 HA ASN A 61 91.713 0.428 16.095 1.00 0.00 H new ATOM 0 HB2 ASN A 61 90.931 1.826 14.116 1.00 0.00 H new ATOM 0 HB3 ASN A 61 91.301 0.458 13.086 1.00 0.00 H new ATOM 0 HD21 ASN A 61 88.088 -0.927 13.798 1.00 0.00 H new ATOM 0 HD22 ASN A 61 89.317 -0.521 12.595 1.00 0.00 H new ATOM 990 N LEU A 62 93.299 -1.438 13.904 1.00 0.00 N ATOM 991 CA LEU A 62 93.705 -2.850 13.662 1.00 0.00 C ATOM 992 C LEU A 62 94.346 -3.319 14.962 1.00 0.00 C ATOM 993 O LEU A 62 94.332 -4.483 15.308 1.00 0.00 O ATOM 994 CB LEU A 62 94.696 -2.940 12.478 1.00 0.00 C ATOM 995 CG LEU A 62 94.489 -1.760 11.514 1.00 0.00 C ATOM 996 CD1 LEU A 62 95.469 -1.878 10.337 1.00 0.00 C ATOM 997 CD2 LEU A 62 93.044 -1.705 10.979 1.00 0.00 C ATOM 0 H LEU A 62 93.725 -0.746 13.288 1.00 0.00 H new ATOM 0 HA LEU A 62 92.855 -3.477 13.392 1.00 0.00 H new ATOM 0 HB2 LEU A 62 95.720 -2.937 12.852 1.00 0.00 H new ATOM 0 HB3 LEU A 62 94.553 -3.881 11.947 1.00 0.00 H new ATOM 0 HG LEU A 62 94.676 -0.840 12.067 1.00 0.00 H new ATOM 0 HD11 LEU A 62 95.321 -1.041 9.655 1.00 0.00 H new ATOM 0 HD12 LEU A 62 96.492 -1.863 10.713 1.00 0.00 H new ATOM 0 HD13 LEU A 62 95.290 -2.814 9.807 1.00 0.00 H new ATOM 0 HD21 LEU A 62 92.939 -0.858 10.302 1.00 0.00 H new ATOM 0 HD22 LEU A 62 92.819 -2.627 10.444 1.00 0.00 H new ATOM 0 HD23 LEU A 62 92.351 -1.591 11.813 1.00 0.00 H new ATOM 1009 N ASP A 63 94.860 -2.376 15.708 1.00 0.00 N ATOM 1010 CA ASP A 63 95.460 -2.689 17.027 1.00 0.00 C ATOM 1011 C ASP A 63 94.345 -2.581 18.070 1.00 0.00 C ATOM 1012 O ASP A 63 94.574 -2.678 19.258 1.00 0.00 O ATOM 1013 CB ASP A 63 96.581 -1.692 17.348 1.00 0.00 C ATOM 1014 CG ASP A 63 97.793 -1.985 16.462 1.00 0.00 C ATOM 1015 OD1 ASP A 63 97.940 -3.124 16.051 1.00 0.00 O ATOM 1016 OD2 ASP A 63 98.554 -1.065 16.211 1.00 0.00 O ATOM 0 H ASP A 63 94.887 -1.390 15.450 1.00 0.00 H new ATOM 0 HA ASP A 63 95.892 -3.690 17.026 1.00 0.00 H new ATOM 0 HB2 ASP A 63 96.234 -0.672 17.182 1.00 0.00 H new ATOM 0 HB3 ASP A 63 96.859 -1.767 18.399 1.00 0.00 H new ATOM 1021 N SER A 64 93.126 -2.380 17.617 1.00 0.00 N ATOM 1022 CA SER A 64 91.981 -2.263 18.565 1.00 0.00 C ATOM 1023 C SER A 64 91.884 -3.549 19.379 1.00 0.00 C ATOM 1024 O SER A 64 92.015 -4.625 18.833 1.00 0.00 O ATOM 1025 CB SER A 64 90.663 -2.099 17.805 1.00 0.00 C ATOM 1026 OG SER A 64 89.594 -2.041 18.740 1.00 0.00 O ATOM 0 H SER A 64 92.881 -2.293 16.631 1.00 0.00 H new ATOM 0 HA SER A 64 92.148 -1.395 19.203 1.00 0.00 H new ATOM 0 HB2 SER A 64 90.686 -1.191 17.203 1.00 0.00 H new ATOM 0 HB3 SER A 64 90.518 -2.933 17.118 1.00 0.00 H new ATOM 0 HG SER A 64 88.746 -1.934 18.261 1.00 0.00 H new ATOM 1032 N ASN A 65 91.638 -3.439 20.668 1.00 0.00 N ATOM 1033 CA ASN A 65 91.506 -4.644 21.567 1.00 0.00 C ATOM 1034 C ASN A 65 92.108 -5.904 20.923 1.00 0.00 C ATOM 1035 O ASN A 65 93.222 -5.893 20.437 1.00 0.00 O ATOM 1036 CB ASN A 65 90.021 -4.890 21.845 1.00 0.00 C ATOM 1037 CG ASN A 65 89.400 -3.645 22.482 1.00 0.00 C ATOM 1038 OD1 ASN A 65 90.160 -2.814 23.138 1.00 0.00 O flip ATOM 1039 ND2 ASN A 65 88.210 -3.424 22.375 1.00 0.00 N flip ATOM 0 H ASN A 65 91.520 -2.546 21.147 1.00 0.00 H new ATOM 0 HA ASN A 65 92.050 -4.443 22.490 1.00 0.00 H new ATOM 0 HB2 ASN A 65 89.503 -5.132 20.917 1.00 0.00 H new ATOM 0 HB3 ASN A 65 89.903 -5.747 22.508 1.00 0.00 H new ATOM 0 HD21 ASN A 65 87.615 -4.074 21.862 1.00 0.00 H new ATOM 0 HD22 ASN A 65 87.806 -2.588 22.798 1.00 0.00 H new ATOM 1046 N ARG A 66 91.366 -6.985 20.908 1.00 0.00 N ATOM 1047 CA ARG A 66 91.862 -8.256 20.290 1.00 0.00 C ATOM 1048 C ARG A 66 91.093 -8.532 18.991 1.00 0.00 C ATOM 1049 O ARG A 66 91.266 -9.560 18.366 1.00 0.00 O ATOM 1050 CB ARG A 66 91.641 -9.411 21.270 1.00 0.00 C ATOM 1051 CG ARG A 66 90.165 -9.468 21.670 1.00 0.00 C ATOM 1052 CD ARG A 66 89.947 -10.610 22.664 1.00 0.00 C ATOM 1053 NE ARG A 66 90.324 -11.906 22.031 1.00 0.00 N ATOM 1054 CZ ARG A 66 90.517 -12.961 22.775 1.00 0.00 C ATOM 1055 NH1 ARG A 66 90.418 -12.870 24.073 1.00 0.00 N ATOM 1056 NH2 ARG A 66 90.814 -14.106 22.222 1.00 0.00 N ATOM 0 H ARG A 66 90.427 -7.042 21.302 1.00 0.00 H new ATOM 0 HA ARG A 66 92.925 -8.163 20.066 1.00 0.00 H new ATOM 0 HB2 ARG A 66 91.941 -10.353 20.811 1.00 0.00 H new ATOM 0 HB3 ARG A 66 92.263 -9.275 22.155 1.00 0.00 H new ATOM 0 HG2 ARG A 66 89.862 -8.521 22.116 1.00 0.00 H new ATOM 0 HG3 ARG A 66 89.544 -9.617 20.787 1.00 0.00 H new ATOM 0 HD2 ARG A 66 90.545 -10.444 23.560 1.00 0.00 H new ATOM 0 HD3 ARG A 66 88.904 -10.638 22.978 1.00 0.00 H new ATOM 0 HE ARG A 66 90.431 -11.968 21.019 1.00 0.00 H new ATOM 0 HH11 ARG A 66 90.190 -11.975 24.506 1.00 0.00 H new ATOM 0 HH12 ARG A 66 90.569 -13.694 24.655 1.00 0.00 H new ATOM 0 HH21 ARG A 66 90.895 -14.177 21.208 1.00 0.00 H new ATOM 0 HH22 ARG A 66 90.965 -14.930 22.804 1.00 0.00 H new ATOM 1070 N ASP A 67 90.242 -7.628 18.582 1.00 0.00 N ATOM 1071 CA ASP A 67 89.463 -7.850 17.326 1.00 0.00 C ATOM 1072 C ASP A 67 90.339 -7.529 16.113 1.00 0.00 C ATOM 1073 O ASP A 67 91.037 -6.535 16.086 1.00 0.00 O ATOM 1074 CB ASP A 67 88.230 -6.942 17.329 1.00 0.00 C ATOM 1075 CG ASP A 67 88.668 -5.481 17.453 1.00 0.00 C ATOM 1076 OD1 ASP A 67 89.809 -5.253 17.817 1.00 0.00 O ATOM 1077 OD2 ASP A 67 87.851 -4.614 17.189 1.00 0.00 O ATOM 0 H ASP A 67 90.052 -6.748 19.061 1.00 0.00 H new ATOM 0 HA ASP A 67 89.147 -8.892 17.272 1.00 0.00 H new ATOM 0 HB2 ASP A 67 87.659 -7.084 16.411 1.00 0.00 H new ATOM 0 HB3 ASP A 67 87.573 -7.207 18.158 1.00 0.00 H new ATOM 1082 N ASN A 68 90.313 -8.368 15.107 1.00 0.00 N ATOM 1083 CA ASN A 68 91.153 -8.112 13.899 1.00 0.00 C ATOM 1084 C ASN A 68 90.547 -8.803 12.671 1.00 0.00 C ATOM 1085 O ASN A 68 91.222 -9.543 11.994 1.00 0.00 O ATOM 1086 CB ASN A 68 92.559 -8.671 14.135 1.00 0.00 C ATOM 1087 CG ASN A 68 93.183 -8.002 15.362 1.00 0.00 C ATOM 1088 OD1 ASN A 68 93.418 -6.719 15.342 1.00 0.00 O flip ATOM 1089 ND2 ASN A 68 93.464 -8.656 16.345 1.00 0.00 N flip ATOM 0 H ASN A 68 89.748 -9.216 15.071 1.00 0.00 H new ATOM 0 HA ASN A 68 91.196 -7.037 13.722 1.00 0.00 H new ATOM 0 HB2 ASN A 68 92.511 -9.750 14.282 1.00 0.00 H new ATOM 0 HB3 ASN A 68 93.182 -8.496 13.258 1.00 0.00 H new ATOM 0 HD21 ASN A 68 93.280 -9.659 16.360 1.00 0.00 H new ATOM 0 HD22 ASN A 68 93.884 -8.202 17.156 1.00 0.00 H new ATOM 1096 N GLU A 69 89.281 -8.578 12.381 1.00 0.00 N ATOM 1097 CA GLU A 69 88.640 -9.235 11.184 1.00 0.00 C ATOM 1098 C GLU A 69 88.002 -8.185 10.268 1.00 0.00 C ATOM 1099 O GLU A 69 87.454 -7.199 10.721 1.00 0.00 O ATOM 1100 CB GLU A 69 87.553 -10.201 11.647 1.00 0.00 C ATOM 1101 CG GLU A 69 87.000 -10.974 10.450 1.00 0.00 C ATOM 1102 CD GLU A 69 85.910 -11.937 10.927 1.00 0.00 C ATOM 1103 OE1 GLU A 69 85.773 -12.096 12.129 1.00 0.00 O ATOM 1104 OE2 GLU A 69 85.233 -12.500 10.084 1.00 0.00 O ATOM 0 H GLU A 69 88.664 -7.970 12.919 1.00 0.00 H new ATOM 0 HA GLU A 69 89.414 -9.771 10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 69 87.960 -10.895 12.382 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.750 -9.651 12.138 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.592 -10.282 9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 69 87.800 -11.528 9.959 1.00 0.00 H new ATOM 1111 N VAL A 70 88.045 -8.416 8.979 1.00 0.00 N ATOM 1112 CA VAL A 70 87.417 -7.467 8.000 1.00 0.00 C ATOM 1113 C VAL A 70 86.404 -8.230 7.162 1.00 0.00 C ATOM 1114 O VAL A 70 86.752 -8.963 6.259 1.00 0.00 O ATOM 1115 CB VAL A 70 88.496 -6.893 7.069 1.00 0.00 C ATOM 1116 CG1 VAL A 70 88.057 -5.531 6.532 1.00 0.00 C ATOM 1117 CG2 VAL A 70 89.795 -6.738 7.845 1.00 0.00 C ATOM 0 H VAL A 70 88.492 -9.229 8.556 1.00 0.00 H new ATOM 0 HA VAL A 70 86.931 -6.654 8.540 1.00 0.00 H new ATOM 0 HB VAL A 70 88.645 -7.573 6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 70 88.829 -5.133 5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 70 87.127 -5.642 5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 70 87.902 -4.845 7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 70 90.564 -6.331 7.189 1.00 0.00 H new ATOM 0 HG22 VAL A 70 89.639 -6.061 8.685 1.00 0.00 H new ATOM 0 HG23 VAL A 70 90.114 -7.711 8.218 1.00 0.00 H new ATOM 1127 N ASP A 71 85.156 -8.027 7.421 1.00 0.00 N ATOM 1128 CA ASP A 71 84.126 -8.701 6.602 1.00 0.00 C ATOM 1129 C ASP A 71 84.018 -7.879 5.329 1.00 0.00 C ATOM 1130 O ASP A 71 84.564 -6.796 5.253 1.00 0.00 O ATOM 1131 CB ASP A 71 82.783 -8.706 7.339 1.00 0.00 C ATOM 1132 CG ASP A 71 81.802 -9.633 6.615 1.00 0.00 C ATOM 1133 OD1 ASP A 71 82.114 -10.053 5.514 1.00 0.00 O ATOM 1134 OD2 ASP A 71 80.755 -9.909 7.178 1.00 0.00 O ATOM 0 H ASP A 71 84.801 -7.424 8.163 1.00 0.00 H new ATOM 0 HA ASP A 71 84.388 -9.739 6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 71 82.922 -9.040 8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 71 82.378 -7.695 7.384 1.00 0.00 H new ATOM 1139 N PHE A 72 83.331 -8.337 4.331 1.00 0.00 N ATOM 1140 CA PHE A 72 83.233 -7.511 3.113 1.00 0.00 C ATOM 1141 C PHE A 72 82.627 -6.175 3.537 1.00 0.00 C ATOM 1142 O PHE A 72 83.024 -5.118 3.086 1.00 0.00 O ATOM 1143 CB PHE A 72 82.337 -8.212 2.096 1.00 0.00 C ATOM 1144 CG PHE A 72 82.258 -7.372 0.856 1.00 0.00 C ATOM 1145 CD1 PHE A 72 83.215 -7.533 -0.148 1.00 0.00 C ATOM 1146 CD2 PHE A 72 81.243 -6.424 0.714 1.00 0.00 C ATOM 1147 CE1 PHE A 72 83.157 -6.748 -1.299 1.00 0.00 C ATOM 1148 CE2 PHE A 72 81.182 -5.637 -0.437 1.00 0.00 C ATOM 1149 CZ PHE A 72 82.140 -5.798 -1.448 1.00 0.00 C ATOM 0 H PHE A 72 82.842 -9.232 4.306 1.00 0.00 H new ATOM 0 HA PHE A 72 84.207 -7.358 2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 72 82.737 -9.198 1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 72 81.341 -8.364 2.512 1.00 0.00 H new ATOM 0 HD1 PHE A 72 84.000 -8.266 -0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 72 80.506 -6.300 1.494 1.00 0.00 H new ATOM 0 HE1 PHE A 72 83.897 -6.873 -2.076 1.00 0.00 H new ATOM 0 HE2 PHE A 72 80.397 -4.904 -0.549 1.00 0.00 H new ATOM 0 HZ PHE A 72 82.093 -5.190 -2.340 1.00 0.00 H new ATOM 1159 N GLN A 73 81.676 -6.232 4.425 1.00 0.00 N ATOM 1160 CA GLN A 73 81.027 -4.995 4.930 1.00 0.00 C ATOM 1161 C GLN A 73 82.053 -4.114 5.669 1.00 0.00 C ATOM 1162 O GLN A 73 82.032 -2.907 5.539 1.00 0.00 O ATOM 1163 CB GLN A 73 79.902 -5.387 5.893 1.00 0.00 C ATOM 1164 CG GLN A 73 79.187 -4.134 6.403 1.00 0.00 C ATOM 1165 CD GLN A 73 78.042 -4.550 7.327 1.00 0.00 C ATOM 1166 OE1 GLN A 73 77.707 -5.715 7.410 1.00 0.00 O ATOM 1167 NE2 GLN A 73 77.415 -3.640 8.021 1.00 0.00 N ATOM 0 H GLN A 73 81.316 -7.098 4.828 1.00 0.00 H new ATOM 0 HA GLN A 73 80.624 -4.430 4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 73 79.191 -6.041 5.387 1.00 0.00 H new ATOM 0 HB3 GLN A 73 80.311 -5.949 6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 73 79.888 -3.493 6.938 1.00 0.00 H new ATOM 0 HG3 GLN A 73 78.801 -3.554 5.565 1.00 0.00 H new ATOM 0 HE21 GLN A 73 77.696 -2.662 7.951 1.00 0.00 H new ATOM 0 HE22 GLN A 73 76.644 -3.907 8.633 1.00 0.00 H new ATOM 1176 N GLU A 74 82.949 -4.686 6.451 1.00 0.00 N ATOM 1177 CA GLU A 74 83.937 -3.840 7.174 1.00 0.00 C ATOM 1178 C GLU A 74 84.896 -3.212 6.177 1.00 0.00 C ATOM 1179 O GLU A 74 85.305 -2.079 6.328 1.00 0.00 O ATOM 1180 CB GLU A 74 84.706 -4.697 8.176 1.00 0.00 C ATOM 1181 CG GLU A 74 83.776 -5.107 9.320 1.00 0.00 C ATOM 1182 CD GLU A 74 83.450 -3.878 10.171 1.00 0.00 C ATOM 1183 OE1 GLU A 74 84.299 -3.007 10.268 1.00 0.00 O ATOM 1184 OE2 GLU A 74 82.358 -3.831 10.715 1.00 0.00 O ATOM 0 H GLU A 74 83.031 -5.690 6.612 1.00 0.00 H new ATOM 0 HA GLU A 74 83.416 -3.047 7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 74 85.104 -5.583 7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 74 85.558 -4.141 8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 74 82.859 -5.541 8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 74 84.251 -5.873 9.933 1.00 0.00 H new ATOM 1191 N TYR A 75 85.255 -3.930 5.157 1.00 0.00 N ATOM 1192 CA TYR A 75 86.186 -3.354 4.162 1.00 0.00 C ATOM 1193 C TYR A 75 85.535 -2.095 3.573 1.00 0.00 C ATOM 1194 O TYR A 75 86.177 -1.084 3.368 1.00 0.00 O ATOM 1195 CB TYR A 75 86.446 -4.382 3.056 1.00 0.00 C ATOM 1196 CG TYR A 75 87.347 -3.780 2.000 1.00 0.00 C ATOM 1197 CD1 TYR A 75 88.649 -3.386 2.332 1.00 0.00 C ATOM 1198 CD2 TYR A 75 86.882 -3.618 0.686 1.00 0.00 C ATOM 1199 CE1 TYR A 75 89.484 -2.829 1.354 1.00 0.00 C ATOM 1200 CE2 TYR A 75 87.717 -3.063 -0.289 1.00 0.00 C ATOM 1201 CZ TYR A 75 89.017 -2.669 0.045 1.00 0.00 C ATOM 1202 OH TYR A 75 89.839 -2.119 -0.918 1.00 0.00 O ATOM 0 H TYR A 75 84.946 -4.884 4.971 1.00 0.00 H new ATOM 0 HA TYR A 75 87.137 -3.096 4.628 1.00 0.00 H new ATOM 0 HB2 TYR A 75 86.909 -5.274 3.477 1.00 0.00 H new ATOM 0 HB3 TYR A 75 85.503 -4.694 2.608 1.00 0.00 H new ATOM 0 HD1 TYR A 75 89.010 -3.511 3.342 1.00 0.00 H new ATOM 0 HD2 TYR A 75 85.878 -3.922 0.427 1.00 0.00 H new ATOM 0 HE1 TYR A 75 90.488 -2.523 1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 75 87.358 -2.939 -1.300 1.00 0.00 H new ATOM 0 HH TYR A 75 89.361 -2.080 -1.773 1.00 0.00 H new ATOM 1212 N CYS A 76 84.253 -2.152 3.331 1.00 0.00 N ATOM 1213 CA CYS A 76 83.518 -0.976 2.788 1.00 0.00 C ATOM 1214 C CYS A 76 83.475 0.108 3.859 1.00 0.00 C ATOM 1215 O CYS A 76 83.646 1.277 3.574 1.00 0.00 O ATOM 1216 CB CYS A 76 82.088 -1.392 2.435 1.00 0.00 C ATOM 1217 SG CYS A 76 82.134 -2.843 1.357 1.00 0.00 S ATOM 0 H CYS A 76 83.676 -2.978 3.490 1.00 0.00 H new ATOM 0 HA CYS A 76 84.019 -0.602 1.895 1.00 0.00 H new ATOM 0 HB2 CYS A 76 81.528 -1.617 3.343 1.00 0.00 H new ATOM 0 HB3 CYS A 76 81.571 -0.572 1.937 1.00 0.00 H new ATOM 0 HG CYS A 76 82.202 -3.920 2.082 1.00 0.00 H new ATOM 1223 N VAL A 77 83.273 -0.262 5.097 1.00 0.00 N ATOM 1224 CA VAL A 77 83.254 0.774 6.157 1.00 0.00 C ATOM 1225 C VAL A 77 84.616 1.454 6.131 1.00 0.00 C ATOM 1226 O VAL A 77 84.726 2.659 6.241 1.00 0.00 O ATOM 1227 CB VAL A 77 83.010 0.119 7.519 1.00 0.00 C ATOM 1228 CG1 VAL A 77 83.235 1.143 8.633 1.00 0.00 C ATOM 1229 CG2 VAL A 77 81.567 -0.388 7.581 1.00 0.00 C ATOM 0 H VAL A 77 83.123 -1.221 5.411 1.00 0.00 H new ATOM 0 HA VAL A 77 82.457 1.499 5.989 1.00 0.00 H new ATOM 0 HB VAL A 77 83.701 -0.713 7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 77 83.060 0.672 9.601 1.00 0.00 H new ATOM 0 HG12 VAL A 77 84.260 1.510 8.588 1.00 0.00 H new ATOM 0 HG13 VAL A 77 82.545 1.977 8.505 1.00 0.00 H new ATOM 0 HG21 VAL A 77 81.387 -0.856 8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 77 80.881 0.449 7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 77 81.404 -1.119 6.789 1.00 0.00 H new ATOM 1239 N PHE A 78 85.654 0.687 5.944 1.00 0.00 N ATOM 1240 CA PHE A 78 87.007 1.288 5.861 1.00 0.00 C ATOM 1241 C PHE A 78 87.086 2.155 4.601 1.00 0.00 C ATOM 1242 O PHE A 78 87.642 3.234 4.624 1.00 0.00 O ATOM 1243 CB PHE A 78 88.071 0.183 5.805 1.00 0.00 C ATOM 1244 CG PHE A 78 88.332 -0.351 7.198 1.00 0.00 C ATOM 1245 CD1 PHE A 78 88.897 0.488 8.166 1.00 0.00 C ATOM 1246 CD2 PHE A 78 88.017 -1.677 7.524 1.00 0.00 C ATOM 1247 CE1 PHE A 78 89.145 0.005 9.455 1.00 0.00 C ATOM 1248 CE2 PHE A 78 88.267 -2.161 8.813 1.00 0.00 C ATOM 1249 CZ PHE A 78 88.830 -1.320 9.780 1.00 0.00 C ATOM 0 H PHE A 78 85.620 -0.328 5.846 1.00 0.00 H new ATOM 0 HA PHE A 78 87.191 1.902 6.743 1.00 0.00 H new ATOM 0 HB2 PHE A 78 87.736 -0.624 5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 78 88.994 0.576 5.378 1.00 0.00 H new ATOM 0 HD1 PHE A 78 89.142 1.510 7.917 1.00 0.00 H new ATOM 0 HD2 PHE A 78 87.581 -2.326 6.779 1.00 0.00 H new ATOM 0 HE1 PHE A 78 89.580 0.655 10.200 1.00 0.00 H new ATOM 0 HE2 PHE A 78 88.025 -3.184 9.062 1.00 0.00 H new ATOM 0 HZ PHE A 78 89.021 -1.693 10.775 1.00 0.00 H new ATOM 1259 N LEU A 79 86.525 1.711 3.500 1.00 0.00 N ATOM 1260 CA LEU A 79 86.588 2.566 2.272 1.00 0.00 C ATOM 1261 C LEU A 79 85.697 3.789 2.471 1.00 0.00 C ATOM 1262 O LEU A 79 86.036 4.892 2.092 1.00 0.00 O ATOM 1263 CB LEU A 79 86.084 1.801 1.045 1.00 0.00 C ATOM 1264 CG LEU A 79 87.065 0.694 0.636 1.00 0.00 C ATOM 1265 CD1 LEU A 79 86.474 -0.064 -0.564 1.00 0.00 C ATOM 1266 CD2 LEU A 79 88.434 1.302 0.250 1.00 0.00 C ATOM 0 H LEU A 79 86.040 0.820 3.399 1.00 0.00 H new ATOM 0 HA LEU A 79 87.625 2.858 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.109 1.364 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.946 2.493 0.214 1.00 0.00 H new ATOM 0 HG LEU A 79 87.217 0.013 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 79 87.159 -0.855 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 79 85.516 -0.502 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 79 86.327 0.627 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 79 89.118 0.504 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 79 88.304 1.988 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 79 88.845 1.843 1.102 1.00 0.00 H new ATOM 1278 N SER A 80 84.560 3.592 3.070 1.00 0.00 N ATOM 1279 CA SER A 80 83.631 4.729 3.309 1.00 0.00 C ATOM 1280 C SER A 80 84.333 5.727 4.212 1.00 0.00 C ATOM 1281 O SER A 80 84.260 6.924 4.021 1.00 0.00 O ATOM 1282 CB SER A 80 82.355 4.224 3.982 1.00 0.00 C ATOM 1283 OG SER A 80 81.625 3.421 3.063 1.00 0.00 O ATOM 0 H SER A 80 84.231 2.687 3.407 1.00 0.00 H new ATOM 0 HA SER A 80 83.359 5.201 2.365 1.00 0.00 H new ATOM 0 HB2 SER A 80 82.604 3.644 4.871 1.00 0.00 H new ATOM 0 HB3 SER A 80 81.746 5.066 4.311 1.00 0.00 H new ATOM 0 HG SER A 80 81.373 3.961 2.285 1.00 0.00 H new ATOM 1289 N CYS A 81 85.045 5.228 5.180 1.00 0.00 N ATOM 1290 CA CYS A 81 85.795 6.127 6.084 1.00 0.00 C ATOM 1291 C CYS A 81 86.833 6.851 5.247 1.00 0.00 C ATOM 1292 O CYS A 81 87.104 8.015 5.444 1.00 0.00 O ATOM 1293 CB CYS A 81 86.494 5.312 7.174 1.00 0.00 C ATOM 1294 SG CYS A 81 87.073 6.429 8.474 1.00 0.00 S ATOM 0 H CYS A 81 85.138 4.232 5.382 1.00 0.00 H new ATOM 0 HA CYS A 81 85.119 6.834 6.564 1.00 0.00 H new ATOM 0 HB2 CYS A 81 85.807 4.575 7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 81 87.334 4.761 6.751 1.00 0.00 H new ATOM 0 HG CYS A 81 87.666 5.742 9.404 1.00 0.00 H new ATOM 1300 N ILE A 82 87.404 6.169 4.294 1.00 0.00 N ATOM 1301 CA ILE A 82 88.422 6.837 3.432 1.00 0.00 C ATOM 1302 C ILE A 82 87.730 7.885 2.564 1.00 0.00 C ATOM 1303 O ILE A 82 88.244 8.964 2.346 1.00 0.00 O ATOM 1304 CB ILE A 82 89.135 5.800 2.551 1.00 0.00 C ATOM 1305 CG1 ILE A 82 90.067 4.950 3.424 1.00 0.00 C ATOM 1306 CG2 ILE A 82 89.957 6.512 1.469 1.00 0.00 C ATOM 1307 CD1 ILE A 82 90.592 3.750 2.626 1.00 0.00 C ATOM 0 H ILE A 82 87.214 5.191 4.075 1.00 0.00 H new ATOM 0 HA ILE A 82 89.169 7.322 4.060 1.00 0.00 H new ATOM 0 HB ILE A 82 88.393 5.161 2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 82 90.902 5.556 3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 82 89.532 4.602 4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 82 90.460 5.771 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 82 89.296 7.117 0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 82 90.700 7.155 1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 82 91.252 3.155 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 82 89.753 3.136 2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 82 91.144 4.105 1.756 1.00 0.00 H new ATOM 1319 N ALA A 83 86.569 7.574 2.063 1.00 0.00 N ATOM 1320 CA ALA A 83 85.847 8.550 1.206 1.00 0.00 C ATOM 1321 C ALA A 83 85.520 9.817 2.003 1.00 0.00 C ATOM 1322 O ALA A 83 85.747 10.914 1.547 1.00 0.00 O ATOM 1323 CB ALA A 83 84.555 7.918 0.696 1.00 0.00 C ATOM 0 H ALA A 83 86.089 6.686 2.210 1.00 0.00 H new ATOM 0 HA ALA A 83 86.482 8.820 0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 83 84.024 8.633 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 83 84.791 7.027 0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 83 83.926 7.642 1.542 1.00 0.00 H new ATOM 1329 N MET A 84 84.993 9.687 3.189 1.00 0.00 N ATOM 1330 CA MET A 84 84.672 10.912 3.982 1.00 0.00 C ATOM 1331 C MET A 84 85.945 11.704 4.225 1.00 0.00 C ATOM 1332 O MET A 84 85.947 12.919 4.179 1.00 0.00 O ATOM 1333 CB MET A 84 84.005 10.533 5.304 1.00 0.00 C ATOM 1334 CG MET A 84 82.570 10.078 5.029 1.00 0.00 C ATOM 1335 SD MET A 84 81.773 9.620 6.588 1.00 0.00 S ATOM 1336 CE MET A 84 82.768 8.148 6.922 1.00 0.00 C ATOM 0 H MET A 84 84.772 8.799 3.641 1.00 0.00 H new ATOM 0 HA MET A 84 83.972 11.532 3.421 1.00 0.00 H new ATOM 0 HB2 MET A 84 84.565 9.736 5.793 1.00 0.00 H new ATOM 0 HB3 MET A 84 84.005 11.385 5.983 1.00 0.00 H new ATOM 0 HG2 MET A 84 82.010 10.877 4.543 1.00 0.00 H new ATOM 0 HG3 MET A 84 82.571 9.229 4.346 1.00 0.00 H new ATOM 0 HE1 MET A 84 82.212 7.473 7.573 1.00 0.00 H new ATOM 0 HE2 MET A 84 82.995 7.642 5.984 1.00 0.00 H new ATOM 0 HE3 MET A 84 83.697 8.440 7.411 1.00 0.00 H new ATOM 1346 N MET A 85 87.035 11.041 4.456 1.00 0.00 N ATOM 1347 CA MET A 85 88.296 11.786 4.665 1.00 0.00 C ATOM 1348 C MET A 85 88.555 12.602 3.405 1.00 0.00 C ATOM 1349 O MET A 85 89.105 13.684 3.460 1.00 0.00 O ATOM 1350 CB MET A 85 89.451 10.813 4.905 1.00 0.00 C ATOM 1351 CG MET A 85 89.324 10.204 6.301 1.00 0.00 C ATOM 1352 SD MET A 85 90.667 9.021 6.564 1.00 0.00 S ATOM 1353 CE MET A 85 90.110 8.390 8.165 1.00 0.00 C ATOM 0 H MET A 85 87.108 10.025 4.509 1.00 0.00 H new ATOM 0 HA MET A 85 88.218 12.435 5.537 1.00 0.00 H new ATOM 0 HB2 MET A 85 89.440 10.026 4.151 1.00 0.00 H new ATOM 0 HB3 MET A 85 90.404 11.333 4.809 1.00 0.00 H new ATOM 0 HG2 MET A 85 89.362 10.988 7.057 1.00 0.00 H new ATOM 0 HG3 MET A 85 88.360 9.706 6.406 1.00 0.00 H new ATOM 0 HE1 MET A 85 90.961 8.314 8.842 1.00 0.00 H new ATOM 0 HE2 MET A 85 89.370 9.070 8.587 1.00 0.00 H new ATOM 0 HE3 MET A 85 89.663 7.405 8.032 1.00 0.00 H new ATOM 1363 N CYS A 86 88.138 12.108 2.267 1.00 0.00 N ATOM 1364 CA CYS A 86 88.345 12.891 1.021 1.00 0.00 C ATOM 1365 C CYS A 86 87.485 12.324 -0.105 1.00 0.00 C ATOM 1366 O CYS A 86 87.969 11.663 -1.003 1.00 0.00 O ATOM 1367 CB CYS A 86 89.824 12.861 0.622 1.00 0.00 C ATOM 1368 SG CYS A 86 90.178 14.253 -0.481 1.00 0.00 S ATOM 0 H CYS A 86 87.670 11.209 2.151 1.00 0.00 H new ATOM 0 HA CYS A 86 88.049 13.925 1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 86 90.453 12.918 1.510 1.00 0.00 H new ATOM 0 HB3 CYS A 86 90.059 11.920 0.125 1.00 0.00 H new ATOM 0 HG CYS A 86 91.433 14.230 -0.819 1.00 0.00 H new ATOM 1374 N ASN A 87 86.211 12.580 -0.059 1.00 0.00 N ATOM 1375 CA ASN A 87 85.308 12.063 -1.123 1.00 0.00 C ATOM 1376 C ASN A 87 85.755 12.622 -2.474 1.00 0.00 C ATOM 1377 O ASN A 87 85.807 11.917 -3.461 1.00 0.00 O ATOM 1378 CB ASN A 87 83.877 12.524 -0.838 1.00 0.00 C ATOM 1379 CG ASN A 87 83.351 11.831 0.419 1.00 0.00 C ATOM 1380 OD1 ASN A 87 83.148 10.545 0.402 1.00 0.00 O flip ATOM 1381 ND2 ASN A 87 83.118 12.469 1.427 1.00 0.00 N flip ATOM 0 H ASN A 87 85.753 13.126 0.671 1.00 0.00 H new ATOM 0 HA ASN A 87 85.347 10.974 -1.142 1.00 0.00 H new ATOM 0 HB2 ASN A 87 83.853 13.606 -0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 87 83.235 12.293 -1.688 1.00 0.00 H new ATOM 0 HD21 ASN A 87 83.277 13.476 1.441 1.00 0.00 H new ATOM 0 HD22 ASN A 87 82.764 11.997 2.259 1.00 0.00 H new ATOM 1388 N GLU A 88 86.089 13.885 -2.520 1.00 0.00 N ATOM 1389 CA GLU A 88 86.542 14.493 -3.804 1.00 0.00 C ATOM 1390 C GLU A 88 87.044 15.916 -3.541 1.00 0.00 C ATOM 1391 O GLU A 88 88.232 16.164 -3.483 1.00 0.00 O ATOM 1392 CB GLU A 88 85.368 14.539 -4.792 1.00 0.00 C ATOM 1393 CG GLU A 88 85.854 15.032 -6.160 1.00 0.00 C ATOM 1394 CD GLU A 88 86.834 14.019 -6.755 1.00 0.00 C ATOM 1395 OE1 GLU A 88 86.844 12.890 -6.292 1.00 0.00 O ATOM 1396 OE2 GLU A 88 87.558 14.389 -7.665 1.00 0.00 O ATOM 0 H GLU A 88 86.067 14.521 -1.723 1.00 0.00 H new ATOM 0 HA GLU A 88 87.348 13.893 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 88 84.925 13.548 -4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 88 84.589 15.201 -4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 88 85.006 15.169 -6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 88 86.338 16.003 -6.056 1.00 0.00 H new ATOM 1403 N PHE A 89 86.148 16.853 -3.381 1.00 0.00 N ATOM 1404 CA PHE A 89 86.577 18.259 -3.123 1.00 0.00 C ATOM 1405 C PHE A 89 87.061 18.395 -1.679 1.00 0.00 C ATOM 1406 O PHE A 89 86.545 17.764 -0.778 1.00 0.00 O ATOM 1407 CB PHE A 89 85.401 19.212 -3.348 1.00 0.00 C ATOM 1408 CG PHE A 89 85.012 19.201 -4.806 1.00 0.00 C ATOM 1409 CD1 PHE A 89 85.693 20.014 -5.719 1.00 0.00 C ATOM 1410 CD2 PHE A 89 83.969 18.377 -5.245 1.00 0.00 C ATOM 1411 CE1 PHE A 89 85.332 20.005 -7.071 1.00 0.00 C ATOM 1412 CE2 PHE A 89 83.607 18.368 -6.597 1.00 0.00 C ATOM 1413 CZ PHE A 89 84.288 19.181 -7.510 1.00 0.00 C ATOM 0 H PHE A 89 85.139 16.706 -3.418 1.00 0.00 H new ATOM 0 HA PHE A 89 87.387 18.511 -3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 89 84.553 18.911 -2.733 1.00 0.00 H new ATOM 0 HB3 PHE A 89 85.674 20.222 -3.042 1.00 0.00 H new ATOM 0 HD1 PHE A 89 86.498 20.649 -5.380 1.00 0.00 H new ATOM 0 HD2 PHE A 89 83.444 17.749 -4.541 1.00 0.00 H new ATOM 0 HE1 PHE A 89 85.858 20.633 -7.775 1.00 0.00 H new ATOM 0 HE2 PHE A 89 82.802 17.733 -6.936 1.00 0.00 H new ATOM 0 HZ PHE A 89 84.009 19.173 -8.553 1.00 0.00 H new ATOM 1423 N PHE A 90 88.046 19.222 -1.452 1.00 0.00 N ATOM 1424 CA PHE A 90 88.563 19.411 -0.066 1.00 0.00 C ATOM 1425 C PHE A 90 87.702 20.454 0.658 1.00 0.00 C ATOM 1426 O PHE A 90 87.868 20.700 1.837 1.00 0.00 O ATOM 1427 CB PHE A 90 90.021 19.884 -0.127 1.00 0.00 C ATOM 1428 CG PHE A 90 90.089 21.287 -0.684 1.00 0.00 C ATOM 1429 CD1 PHE A 90 90.220 21.489 -2.064 1.00 0.00 C ATOM 1430 CD2 PHE A 90 90.028 22.386 0.180 1.00 0.00 C ATOM 1431 CE1 PHE A 90 90.289 22.790 -2.578 1.00 0.00 C ATOM 1432 CE2 PHE A 90 90.095 23.687 -0.334 1.00 0.00 C ATOM 1433 CZ PHE A 90 90.226 23.889 -1.712 1.00 0.00 C ATOM 0 H PHE A 90 88.516 19.776 -2.168 1.00 0.00 H new ATOM 0 HA PHE A 90 88.516 18.468 0.478 1.00 0.00 H new ATOM 0 HB2 PHE A 90 90.462 19.858 0.870 1.00 0.00 H new ATOM 0 HB3 PHE A 90 90.605 19.208 -0.751 1.00 0.00 H new ATOM 0 HD1 PHE A 90 90.268 20.641 -2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 90 89.929 22.231 1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 90 90.391 22.946 -3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 90 90.046 24.534 0.334 1.00 0.00 H new ATOM 0 HZ PHE A 90 90.279 24.892 -2.108 1.00 0.00 H new ATOM 1443 N GLU A 91 86.791 21.076 -0.042 1.00 0.00 N ATOM 1444 CA GLU A 91 85.928 22.112 0.598 1.00 0.00 C ATOM 1445 C GLU A 91 85.130 21.493 1.751 1.00 0.00 C ATOM 1446 O GLU A 91 84.950 22.100 2.787 1.00 0.00 O ATOM 1447 CB GLU A 91 84.950 22.670 -0.439 1.00 0.00 C ATOM 1448 CG GLU A 91 85.711 23.497 -1.477 1.00 0.00 C ATOM 1449 CD GLU A 91 84.723 24.049 -2.508 1.00 0.00 C ATOM 1450 OE1 GLU A 91 83.552 23.721 -2.409 1.00 0.00 O ATOM 1451 OE2 GLU A 91 85.156 24.784 -3.380 1.00 0.00 O ATOM 0 H GLU A 91 86.607 20.911 -1.032 1.00 0.00 H new ATOM 0 HA GLU A 91 86.561 22.911 0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 91 84.420 21.853 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 91 84.199 23.288 0.052 1.00 0.00 H new ATOM 0 HG2 GLU A 91 86.241 24.315 -0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 91 86.462 22.880 -1.970 1.00 0.00 H new ATOM 1458 N GLY A 92 84.639 20.294 1.577 1.00 0.00 N ATOM 1459 CA GLY A 92 83.842 19.649 2.662 1.00 0.00 C ATOM 1460 C GLY A 92 84.766 19.219 3.803 1.00 0.00 C ATOM 1461 O GLY A 92 85.765 18.562 3.592 1.00 0.00 O ATOM 0 H GLY A 92 84.755 19.734 0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 92 83.089 20.344 3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 92 83.309 18.783 2.268 1.00 0.00 H new ATOM 1465 N PHE A 93 84.440 19.588 5.014 1.00 0.00 N ATOM 1466 CA PHE A 93 85.302 19.202 6.168 1.00 0.00 C ATOM 1467 C PHE A 93 85.162 17.688 6.431 1.00 0.00 C ATOM 1468 O PHE A 93 84.110 17.125 6.198 1.00 0.00 O ATOM 1469 CB PHE A 93 84.851 19.984 7.409 1.00 0.00 C ATOM 1470 CG PHE A 93 83.408 19.660 7.726 1.00 0.00 C ATOM 1471 CD1 PHE A 93 82.375 20.329 7.057 1.00 0.00 C ATOM 1472 CD2 PHE A 93 83.103 18.695 8.695 1.00 0.00 C ATOM 1473 CE1 PHE A 93 81.039 20.034 7.357 1.00 0.00 C ATOM 1474 CE2 PHE A 93 81.767 18.400 8.992 1.00 0.00 C ATOM 1475 CZ PHE A 93 80.735 19.070 8.325 1.00 0.00 C ATOM 0 H PHE A 93 83.615 20.139 5.253 1.00 0.00 H new ATOM 0 HA PHE A 93 86.344 19.432 5.946 1.00 0.00 H new ATOM 0 HB2 PHE A 93 85.485 19.731 8.259 1.00 0.00 H new ATOM 0 HB3 PHE A 93 84.963 21.054 7.236 1.00 0.00 H new ATOM 0 HD1 PHE A 93 82.609 21.073 6.310 1.00 0.00 H new ATOM 0 HD2 PHE A 93 83.898 18.179 9.213 1.00 0.00 H new ATOM 0 HE1 PHE A 93 80.243 20.551 6.841 1.00 0.00 H new ATOM 0 HE2 PHE A 93 81.532 17.654 9.737 1.00 0.00 H new ATOM 0 HZ PHE A 93 79.705 18.843 8.557 1.00 0.00 H new ATOM 1485 N PRO A 94 86.192 17.023 6.929 1.00 0.00 N ATOM 1486 CA PRO A 94 86.087 15.559 7.217 1.00 0.00 C ATOM 1487 C PRO A 94 85.071 15.265 8.334 1.00 0.00 C ATOM 1488 O PRO A 94 84.943 16.016 9.282 1.00 0.00 O ATOM 1489 CB PRO A 94 87.523 15.202 7.654 1.00 0.00 C ATOM 1490 CG PRO A 94 88.285 16.514 7.910 1.00 0.00 C ATOM 1491 CD PRO A 94 87.514 17.654 7.227 1.00 0.00 C ATOM 0 HA PRO A 94 85.732 14.979 6.365 1.00 0.00 H new ATOM 0 HB2 PRO A 94 87.505 14.590 8.556 1.00 0.00 H new ATOM 0 HB3 PRO A 94 88.022 14.617 6.881 1.00 0.00 H new ATOM 0 HG2 PRO A 94 88.372 16.701 8.980 1.00 0.00 H new ATOM 0 HG3 PRO A 94 89.299 16.449 7.514 1.00 0.00 H new ATOM 0 HD2 PRO A 94 87.411 18.521 7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 94 88.014 17.995 6.320 1.00 0.00 H new ATOM 1499 N ASP A 95 84.352 14.176 8.232 1.00 0.00 N ATOM 1500 CA ASP A 95 83.349 13.831 9.289 1.00 0.00 C ATOM 1501 C ASP A 95 83.262 12.311 9.434 1.00 0.00 C ATOM 1502 O ASP A 95 82.427 11.665 8.832 1.00 0.00 O ATOM 1503 CB ASP A 95 81.978 14.381 8.890 1.00 0.00 C ATOM 1504 CG ASP A 95 81.003 14.215 10.056 1.00 0.00 C ATOM 1505 OD1 ASP A 95 81.352 13.529 11.003 1.00 0.00 O ATOM 1506 OD2 ASP A 95 79.922 14.777 9.983 1.00 0.00 O ATOM 0 H ASP A 95 84.415 13.509 7.462 1.00 0.00 H new ATOM 0 HA ASP A 95 83.657 14.271 10.238 1.00 0.00 H new ATOM 0 HB2 ASP A 95 82.061 15.433 8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 95 81.604 13.854 8.012 1.00 0.00 H new ATOM 1511 N LYS A 96 84.120 11.733 10.234 1.00 0.00 N ATOM 1512 CA LYS A 96 84.098 10.252 10.431 1.00 0.00 C ATOM 1513 C LYS A 96 83.290 9.910 11.688 1.00 0.00 C ATOM 1514 O LYS A 96 83.144 8.759 12.046 1.00 0.00 O ATOM 1515 CB LYS A 96 85.539 9.752 10.580 1.00 0.00 C ATOM 1516 CG LYS A 96 86.168 10.341 11.848 1.00 0.00 C ATOM 1517 CD LYS A 96 87.674 10.059 11.843 1.00 0.00 C ATOM 1518 CE LYS A 96 88.277 10.415 13.205 1.00 0.00 C ATOM 1519 NZ LYS A 96 88.170 11.884 13.433 1.00 0.00 N ATOM 0 H LYS A 96 84.840 12.226 10.763 1.00 0.00 H new ATOM 0 HA LYS A 96 83.630 9.769 9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 96 85.552 8.663 10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 96 86.125 10.038 9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 96 85.987 11.415 11.892 1.00 0.00 H new ATOM 0 HG3 LYS A 96 85.707 9.903 12.734 1.00 0.00 H new ATOM 0 HD2 LYS A 96 87.855 9.008 11.619 1.00 0.00 H new ATOM 0 HD3 LYS A 96 88.159 10.640 11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 96 87.756 9.876 13.996 1.00 0.00 H new ATOM 0 HE3 LYS A 96 89.322 10.106 13.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 88.726 12.146 14.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 88.536 12.392 12.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 87.173 12.140 13.584 1.00 0.00 H new ATOM 1533 N GLN A 97 82.772 10.909 12.362 1.00 0.00 N ATOM 1534 CA GLN A 97 81.971 10.670 13.608 1.00 0.00 C ATOM 1535 C GLN A 97 80.475 10.960 13.346 1.00 0.00 C ATOM 1536 O GLN A 97 80.073 12.106 13.347 1.00 0.00 O ATOM 1537 CB GLN A 97 82.476 11.628 14.688 1.00 0.00 C ATOM 1538 CG GLN A 97 83.968 11.389 14.916 1.00 0.00 C ATOM 1539 CD GLN A 97 84.464 12.288 16.049 1.00 0.00 C ATOM 1540 OE1 GLN A 97 85.022 11.811 17.016 1.00 0.00 O ATOM 1541 NE2 GLN A 97 84.282 13.579 15.971 1.00 0.00 N ATOM 0 H GLN A 97 82.870 11.890 12.100 1.00 0.00 H new ATOM 0 HA GLN A 97 82.081 9.632 13.921 1.00 0.00 H new ATOM 0 HB2 GLN A 97 82.303 12.661 14.384 1.00 0.00 H new ATOM 0 HB3 GLN A 97 81.925 11.472 15.615 1.00 0.00 H new ATOM 0 HG2 GLN A 97 84.145 10.343 15.164 1.00 0.00 H new ATOM 0 HG3 GLN A 97 84.524 11.598 14.002 1.00 0.00 H new ATOM 0 HE21 GLN A 97 83.813 13.980 15.159 1.00 0.00 H new ATOM 0 HE22 GLN A 97 84.609 14.186 16.722 1.00 0.00 H new ATOM 1550 N PRO A 98 79.639 9.957 13.136 1.00 0.00 N ATOM 1551 CA PRO A 98 78.188 10.214 12.896 1.00 0.00 C ATOM 1552 C PRO A 98 77.425 10.493 14.202 1.00 0.00 C ATOM 1553 O PRO A 98 76.259 10.171 14.329 1.00 0.00 O ATOM 1554 CB PRO A 98 77.731 8.891 12.256 1.00 0.00 C ATOM 1555 CG PRO A 98 78.787 7.816 12.583 1.00 0.00 C ATOM 1556 CD PRO A 98 80.053 8.525 13.107 1.00 0.00 C ATOM 0 HA PRO A 98 78.003 11.095 12.281 1.00 0.00 H new ATOM 0 HB2 PRO A 98 76.755 8.597 12.643 1.00 0.00 H new ATOM 0 HB3 PRO A 98 77.625 9.006 11.177 1.00 0.00 H new ATOM 0 HG2 PRO A 98 78.403 7.122 13.331 1.00 0.00 H new ATOM 0 HG3 PRO A 98 79.020 7.230 11.694 1.00 0.00 H new ATOM 0 HD2 PRO A 98 80.338 8.166 14.096 1.00 0.00 H new ATOM 0 HD3 PRO A 98 80.908 8.364 12.451 1.00 0.00 H new ATOM 1564 N ARG A 99 78.069 11.085 15.172 1.00 0.00 N ATOM 1565 CA ARG A 99 77.370 11.374 16.457 1.00 0.00 C ATOM 1566 C ARG A 99 76.242 12.377 16.202 1.00 0.00 C ATOM 1567 O ARG A 99 76.457 13.437 15.649 1.00 0.00 O ATOM 1568 CB ARG A 99 78.361 11.979 17.455 1.00 0.00 C ATOM 1569 CG ARG A 99 77.680 12.164 18.815 1.00 0.00 C ATOM 1570 CD ARG A 99 78.673 12.781 19.802 1.00 0.00 C ATOM 1571 NE ARG A 99 79.863 11.881 19.969 1.00 0.00 N ATOM 1572 CZ ARG A 99 79.748 10.658 20.413 1.00 0.00 C ATOM 1573 NH1 ARG A 99 78.607 10.226 20.874 1.00 0.00 N ATOM 1574 NH2 ARG A 99 80.794 9.878 20.439 1.00 0.00 N ATOM 0 H ARG A 99 79.045 11.380 15.131 1.00 0.00 H new ATOM 0 HA ARG A 99 76.961 10.449 16.864 1.00 0.00 H new ATOM 0 HB2 ARG A 99 79.230 11.329 17.558 1.00 0.00 H new ATOM 0 HB3 ARG A 99 78.723 12.939 17.086 1.00 0.00 H new ATOM 0 HG2 ARG A 99 76.806 12.807 18.712 1.00 0.00 H new ATOM 0 HG3 ARG A 99 77.326 11.204 19.190 1.00 0.00 H new ATOM 0 HD2 ARG A 99 78.995 13.759 19.443 1.00 0.00 H new ATOM 0 HD3 ARG A 99 78.189 12.939 20.766 1.00 0.00 H new ATOM 0 HE ARG A 99 80.789 12.235 19.729 1.00 0.00 H new ATOM 0 HH11 ARG A 99 77.796 10.845 20.890 1.00 0.00 H new ATOM 0 HH12 ARG A 99 78.526 9.270 21.219 1.00 0.00 H new ATOM 0 HH21 ARG A 99 81.697 10.224 20.113 1.00 0.00 H new ATOM 0 HH22 ARG A 99 80.709 8.922 20.785 1.00 0.00 H new ATOM 1588 N LYS A 100 75.042 12.056 16.604 1.00 0.00 N ATOM 1589 CA LYS A 100 73.908 13.000 16.387 1.00 0.00 C ATOM 1590 C LYS A 100 73.927 14.093 17.459 1.00 0.00 C ATOM 1591 O LYS A 100 74.216 15.240 17.179 1.00 0.00 O ATOM 1592 CB LYS A 100 72.583 12.232 16.447 1.00 0.00 C ATOM 1593 CG LYS A 100 72.461 11.334 15.213 1.00 0.00 C ATOM 1594 CD LYS A 100 71.138 10.564 15.266 1.00 0.00 C ATOM 1595 CE LYS A 100 71.007 9.681 14.023 1.00 0.00 C ATOM 1596 NZ LYS A 100 69.589 9.246 13.873 1.00 0.00 N ATOM 0 H LYS A 100 74.798 11.183 17.072 1.00 0.00 H new ATOM 0 HA LYS A 100 74.010 13.466 15.407 1.00 0.00 H new ATOM 0 HB2 LYS A 100 72.539 11.630 17.355 1.00 0.00 H new ATOM 0 HB3 LYS A 100 71.747 12.930 16.487 1.00 0.00 H new ATOM 0 HG2 LYS A 100 72.506 11.937 14.306 1.00 0.00 H new ATOM 0 HG3 LYS A 100 73.298 10.637 15.174 1.00 0.00 H new ATOM 0 HD2 LYS A 100 71.099 9.950 16.166 1.00 0.00 H new ATOM 0 HD3 LYS A 100 70.302 11.261 15.319 1.00 0.00 H new ATOM 0 HE2 LYS A 100 71.326 10.231 13.137 1.00 0.00 H new ATOM 0 HE3 LYS A 100 71.659 8.812 14.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 69.498 8.646 13.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 69.300 8.707 14.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 68.978 10.082 13.771 1.00 0.00 H new ATOM 1610 N LYS A 101 73.623 13.749 18.685 1.00 0.00 N ATOM 1611 CA LYS A 101 73.623 14.767 19.784 1.00 0.00 C ATOM 1612 C LYS A 101 74.911 14.642 20.600 1.00 0.00 C ATOM 1613 O LYS A 101 75.270 15.606 21.256 1.00 0.00 O ATOM 1614 CB LYS A 101 72.412 14.532 20.694 1.00 0.00 C ATOM 1615 CG LYS A 101 72.561 13.191 21.416 1.00 0.00 C ATOM 1616 CD LYS A 101 71.254 12.850 22.133 1.00 0.00 C ATOM 1617 CE LYS A 101 71.479 11.646 23.051 1.00 0.00 C ATOM 1618 NZ LYS A 101 70.190 11.261 23.692 1.00 0.00 N ATOM 1619 OXT LYS A 101 75.515 13.582 20.559 1.00 0.00 O ATOM 0 H LYS A 101 73.374 12.803 18.975 1.00 0.00 H new ATOM 0 HA LYS A 101 73.566 15.767 19.354 1.00 0.00 H new ATOM 0 HB2 LYS A 101 72.329 15.340 21.421 1.00 0.00 H new ATOM 0 HB3 LYS A 101 71.495 14.538 20.104 1.00 0.00 H new ATOM 0 HG2 LYS A 101 72.811 12.407 20.701 1.00 0.00 H new ATOM 0 HG3 LYS A 101 73.380 13.241 22.134 1.00 0.00 H new ATOM 0 HD2 LYS A 101 70.911 13.706 22.714 1.00 0.00 H new ATOM 0 HD3 LYS A 101 70.474 12.626 21.405 1.00 0.00 H new ATOM 0 HE2 LYS A 101 71.877 10.808 22.478 1.00 0.00 H new ATOM 0 HE3 LYS A 101 72.218 11.890 23.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 70.343 10.443 24.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 69.828 12.060 24.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 69.498 11.011 22.957 1.00 0.00 H new TER 1633 LYS A 101 ATOM 1634 N MET B 1 102.355 2.189 -10.672 1.00 0.00 N ATOM 1635 CA MET B 1 101.302 1.182 -10.989 1.00 0.00 C ATOM 1636 C MET B 1 100.068 1.447 -10.127 1.00 0.00 C ATOM 1637 O MET B 1 99.820 0.760 -9.156 1.00 0.00 O ATOM 1638 CB MET B 1 101.830 -0.222 -10.691 1.00 0.00 C ATOM 1639 CG MET B 1 102.924 -0.582 -11.696 1.00 0.00 C ATOM 1640 SD MET B 1 103.543 -2.245 -11.338 1.00 0.00 S ATOM 1641 CE MET B 1 104.766 -2.321 -12.668 1.00 0.00 C ATOM 0 H1 MET B 1 103.064 2.201 -11.432 1.00 0.00 H new ATOM 0 H2 MET B 1 101.921 3.131 -10.589 1.00 0.00 H new ATOM 0 H3 MET B 1 102.815 1.939 -9.773 1.00 0.00 H new ATOM 0 HA MET B 1 101.037 1.257 -12.044 1.00 0.00 H new ATOM 0 HB2 MET B 1 102.226 -0.265 -9.676 1.00 0.00 H new ATOM 0 HB3 MET B 1 101.018 -0.947 -10.747 1.00 0.00 H new ATOM 0 HG2 MET B 1 102.529 -0.539 -12.711 1.00 0.00 H new ATOM 0 HG3 MET B 1 103.738 0.141 -11.640 1.00 0.00 H new ATOM 0 HE1 MET B 1 105.279 -3.282 -12.636 1.00 0.00 H new ATOM 0 HE2 MET B 1 104.265 -2.209 -13.630 1.00 0.00 H new ATOM 0 HE3 MET B 1 105.492 -1.518 -12.541 1.00 0.00 H new ATOM 1653 N ALA B 2 99.292 2.435 -10.471 1.00 0.00 N ATOM 1654 CA ALA B 2 98.076 2.735 -9.666 1.00 0.00 C ATOM 1655 C ALA B 2 97.052 1.616 -9.866 1.00 0.00 C ATOM 1656 O ALA B 2 96.836 1.152 -10.968 1.00 0.00 O ATOM 1657 CB ALA B 2 97.474 4.063 -10.130 1.00 0.00 C ATOM 0 H ALA B 2 99.446 3.047 -11.273 1.00 0.00 H new ATOM 0 HA ALA B 2 98.342 2.805 -8.611 1.00 0.00 H new ATOM 0 HB1 ALA B 2 96.584 4.284 -9.542 1.00 0.00 H new ATOM 0 HB2 ALA B 2 98.205 4.860 -9.996 1.00 0.00 H new ATOM 0 HB3 ALA B 2 97.204 3.992 -11.184 1.00 0.00 H new ATOM 1663 N CYS B 3 96.415 1.181 -8.813 1.00 0.00 N ATOM 1664 CA CYS B 3 95.403 0.098 -8.953 1.00 0.00 C ATOM 1665 C CYS B 3 94.087 0.715 -9.463 1.00 0.00 C ATOM 1666 O CYS B 3 93.773 1.839 -9.127 1.00 0.00 O ATOM 1667 CB CYS B 3 95.164 -0.551 -7.588 1.00 0.00 C ATOM 1668 SG CYS B 3 96.645 -1.464 -7.089 1.00 0.00 S ATOM 0 H CYS B 3 96.552 1.529 -7.864 1.00 0.00 H new ATOM 0 HA CYS B 3 95.758 -0.657 -9.655 1.00 0.00 H new ATOM 0 HB2 CYS B 3 94.927 0.212 -6.847 1.00 0.00 H new ATOM 0 HB3 CYS B 3 94.308 -1.224 -7.638 1.00 0.00 H new ATOM 0 HG CYS B 3 96.302 -2.472 -6.343 1.00 0.00 H new ATOM 1674 N PRO B 4 93.311 0.010 -10.261 1.00 0.00 N ATOM 1675 CA PRO B 4 92.030 0.580 -10.769 1.00 0.00 C ATOM 1676 C PRO B 4 91.066 0.918 -9.622 1.00 0.00 C ATOM 1677 O PRO B 4 90.028 1.517 -9.824 1.00 0.00 O ATOM 1678 CB PRO B 4 91.485 -0.552 -11.662 1.00 0.00 C ATOM 1679 CG PRO B 4 92.333 -1.811 -11.404 1.00 0.00 C ATOM 1680 CD PRO B 4 93.632 -1.377 -10.706 1.00 0.00 C ATOM 0 HA PRO B 4 92.158 1.522 -11.303 1.00 0.00 H new ATOM 0 HB2 PRO B 4 90.437 -0.745 -11.435 1.00 0.00 H new ATOM 0 HB3 PRO B 4 91.536 -0.267 -12.713 1.00 0.00 H new ATOM 0 HG2 PRO B 4 91.785 -2.518 -10.782 1.00 0.00 H new ATOM 0 HG3 PRO B 4 92.556 -2.318 -12.342 1.00 0.00 H new ATOM 0 HD2 PRO B 4 93.878 -2.026 -9.866 1.00 0.00 H new ATOM 0 HD3 PRO B 4 94.484 -1.398 -11.385 1.00 0.00 H new ATOM 1688 N LEU B 5 91.407 0.538 -8.422 1.00 0.00 N ATOM 1689 CA LEU B 5 90.522 0.833 -7.261 1.00 0.00 C ATOM 1690 C LEU B 5 90.360 2.347 -7.149 1.00 0.00 C ATOM 1691 O LEU B 5 89.305 2.846 -6.817 1.00 0.00 O ATOM 1692 CB LEU B 5 91.149 0.285 -5.973 1.00 0.00 C ATOM 1693 CG LEU B 5 90.219 0.554 -4.775 1.00 0.00 C ATOM 1694 CD1 LEU B 5 88.892 -0.212 -4.956 1.00 0.00 C ATOM 1695 CD2 LEU B 5 90.909 0.100 -3.476 1.00 0.00 C ATOM 0 H LEU B 5 92.264 0.034 -8.195 1.00 0.00 H new ATOM 0 HA LEU B 5 89.550 0.360 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU B 5 91.326 -0.786 -6.073 1.00 0.00 H new ATOM 0 HB3 LEU B 5 92.118 0.754 -5.803 1.00 0.00 H new ATOM 0 HG LEU B 5 90.007 1.622 -4.718 1.00 0.00 H new ATOM 0 HD11 LEU B 5 88.240 -0.016 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU B 5 88.402 0.120 -5.872 1.00 0.00 H new ATOM 0 HD13 LEU B 5 89.095 -1.281 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU B 5 90.251 0.291 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU B 5 91.127 -0.966 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU B 5 91.839 0.654 -3.345 1.00 0.00 H new ATOM 1707 N GLU B 6 91.404 3.082 -7.414 1.00 0.00 N ATOM 1708 CA GLU B 6 91.315 4.564 -7.306 1.00 0.00 C ATOM 1709 C GLU B 6 90.246 5.081 -8.268 1.00 0.00 C ATOM 1710 O GLU B 6 89.445 5.926 -7.921 1.00 0.00 O ATOM 1711 CB GLU B 6 92.666 5.173 -7.692 1.00 0.00 C ATOM 1712 CG GLU B 6 93.703 4.858 -6.613 1.00 0.00 C ATOM 1713 CD GLU B 6 95.067 5.405 -7.040 1.00 0.00 C ATOM 1714 OE1 GLU B 6 95.141 5.988 -8.109 1.00 0.00 O ATOM 1715 OE2 GLU B 6 96.014 5.228 -6.291 1.00 0.00 O ATOM 0 H GLU B 6 92.314 2.721 -7.700 1.00 0.00 H new ATOM 0 HA GLU B 6 91.055 4.842 -6.285 1.00 0.00 H new ATOM 0 HB2 GLU B 6 92.994 4.774 -8.652 1.00 0.00 H new ATOM 0 HB3 GLU B 6 92.568 6.252 -7.811 1.00 0.00 H new ATOM 0 HG2 GLU B 6 93.402 5.302 -5.664 1.00 0.00 H new ATOM 0 HG3 GLU B 6 93.764 3.781 -6.456 1.00 0.00 H new ATOM 1722 N LYS B 7 90.212 4.571 -9.468 1.00 0.00 N ATOM 1723 CA LYS B 7 89.177 5.027 -10.434 1.00 0.00 C ATOM 1724 C LYS B 7 87.838 4.433 -10.026 1.00 0.00 C ATOM 1725 O LYS B 7 86.848 5.126 -9.924 1.00 0.00 O ATOM 1726 CB LYS B 7 89.549 4.563 -11.849 1.00 0.00 C ATOM 1727 CG LYS B 7 88.514 5.075 -12.861 1.00 0.00 C ATOM 1728 CD LYS B 7 88.791 4.469 -14.243 1.00 0.00 C ATOM 1729 CE LYS B 7 90.191 4.859 -14.725 1.00 0.00 C ATOM 1730 NZ LYS B 7 90.470 6.279 -14.372 1.00 0.00 N ATOM 0 H LYS B 7 90.854 3.861 -9.819 1.00 0.00 H new ATOM 0 HA LYS B 7 89.114 6.115 -10.430 1.00 0.00 H new ATOM 0 HB2 LYS B 7 90.540 4.932 -12.112 1.00 0.00 H new ATOM 0 HB3 LYS B 7 89.595 3.474 -11.883 1.00 0.00 H new ATOM 0 HG2 LYS B 7 87.509 4.809 -12.533 1.00 0.00 H new ATOM 0 HG3 LYS B 7 88.554 6.163 -12.917 1.00 0.00 H new ATOM 0 HD2 LYS B 7 88.705 3.383 -14.195 1.00 0.00 H new ATOM 0 HD3 LYS B 7 88.044 4.817 -14.956 1.00 0.00 H new ATOM 0 HE2 LYS B 7 90.937 4.208 -14.269 1.00 0.00 H new ATOM 0 HE3 LYS B 7 90.265 4.722 -15.804 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 91.216 6.651 -14.993 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 89.605 6.843 -14.494 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 90.784 6.335 -13.382 1.00 0.00 H new ATOM 1744 N ALA B 8 87.801 3.156 -9.768 1.00 0.00 N ATOM 1745 CA ALA B 8 86.519 2.539 -9.354 1.00 0.00 C ATOM 1746 C ALA B 8 86.079 3.233 -8.077 1.00 0.00 C ATOM 1747 O ALA B 8 84.925 3.565 -7.900 1.00 0.00 O ATOM 1748 CB ALA B 8 86.694 1.043 -9.121 1.00 0.00 C ATOM 0 H ALA B 8 88.597 2.521 -9.826 1.00 0.00 H new ATOM 0 HA ALA B 8 85.766 2.657 -10.133 1.00 0.00 H new ATOM 0 HB1 ALA B 8 85.742 0.608 -8.818 1.00 0.00 H new ATOM 0 HB2 ALA B 8 87.033 0.568 -10.042 1.00 0.00 H new ATOM 0 HB3 ALA B 8 87.433 0.881 -8.336 1.00 0.00 H new ATOM 1754 N LEU B 9 87.005 3.512 -7.205 1.00 0.00 N ATOM 1755 CA LEU B 9 86.640 4.249 -5.976 1.00 0.00 C ATOM 1756 C LEU B 9 86.065 5.578 -6.440 1.00 0.00 C ATOM 1757 O LEU B 9 85.080 6.064 -5.920 1.00 0.00 O ATOM 1758 CB LEU B 9 87.878 4.477 -5.096 1.00 0.00 C ATOM 1759 CG LEU B 9 87.494 5.242 -3.820 1.00 0.00 C ATOM 1760 CD1 LEU B 9 86.506 4.419 -2.975 1.00 0.00 C ATOM 1761 CD2 LEU B 9 88.763 5.518 -3.004 1.00 0.00 C ATOM 0 H LEU B 9 87.990 3.262 -7.293 1.00 0.00 H new ATOM 0 HA LEU B 9 85.921 3.691 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU B 9 88.326 3.519 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU B 9 88.629 5.038 -5.652 1.00 0.00 H new ATOM 0 HG LEU B 9 87.015 6.181 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU B 9 86.245 4.976 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU B 9 85.604 4.225 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU B 9 86.968 3.472 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU B 9 88.501 6.061 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU B 9 89.237 4.573 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU B 9 89.454 6.116 -3.598 1.00 0.00 H new ATOM 1773 N ASP B 10 86.664 6.155 -7.450 1.00 0.00 N ATOM 1774 CA ASP B 10 86.134 7.433 -7.981 1.00 0.00 C ATOM 1775 C ASP B 10 84.792 7.163 -8.665 1.00 0.00 C ATOM 1776 O ASP B 10 83.898 7.981 -8.632 1.00 0.00 O ATOM 1777 CB ASP B 10 87.117 8.030 -8.990 1.00 0.00 C ATOM 1778 CG ASP B 10 86.752 9.492 -9.254 1.00 0.00 C ATOM 1779 OD1 ASP B 10 85.719 9.921 -8.762 1.00 0.00 O ATOM 1780 OD2 ASP B 10 87.506 10.157 -9.943 1.00 0.00 O ATOM 0 H ASP B 10 87.492 5.794 -7.924 1.00 0.00 H new ATOM 0 HA ASP B 10 85.999 8.142 -7.164 1.00 0.00 H new ATOM 0 HB2 ASP B 10 88.135 7.962 -8.606 1.00 0.00 H new ATOM 0 HB3 ASP B 10 87.089 7.463 -9.921 1.00 0.00 H new ATOM 1785 N VAL B 11 84.637 6.021 -9.292 1.00 0.00 N ATOM 1786 CA VAL B 11 83.337 5.729 -9.972 1.00 0.00 C ATOM 1787 C VAL B 11 82.217 5.757 -8.931 1.00 0.00 C ATOM 1788 O VAL B 11 81.147 6.277 -9.173 1.00 0.00 O ATOM 1789 CB VAL B 11 83.385 4.342 -10.631 1.00 0.00 C ATOM 1790 CG1 VAL B 11 81.993 3.947 -11.133 1.00 0.00 C ATOM 1791 CG2 VAL B 11 84.362 4.360 -11.813 1.00 0.00 C ATOM 0 H VAL B 11 85.344 5.289 -9.362 1.00 0.00 H new ATOM 0 HA VAL B 11 83.154 6.479 -10.741 1.00 0.00 H new ATOM 0 HB VAL B 11 83.720 3.616 -9.890 1.00 0.00 H new ATOM 0 HG11 VAL B 11 82.040 2.962 -11.598 1.00 0.00 H new ATOM 0 HG12 VAL B 11 81.298 3.919 -10.294 1.00 0.00 H new ATOM 0 HG13 VAL B 11 81.649 4.678 -11.865 1.00 0.00 H new ATOM 0 HG21 VAL B 11 84.391 3.374 -12.276 1.00 0.00 H new ATOM 0 HG22 VAL B 11 84.032 5.095 -12.547 1.00 0.00 H new ATOM 0 HG23 VAL B 11 85.358 4.624 -11.458 1.00 0.00 H new ATOM 1801 N MET B 12 82.455 5.210 -7.767 1.00 0.00 N ATOM 1802 CA MET B 12 81.398 5.225 -6.717 1.00 0.00 C ATOM 1803 C MET B 12 81.051 6.676 -6.402 1.00 0.00 C ATOM 1804 O MET B 12 79.904 7.045 -6.259 1.00 0.00 O ATOM 1805 CB MET B 12 81.918 4.552 -5.440 1.00 0.00 C ATOM 1806 CG MET B 12 80.763 4.356 -4.446 1.00 0.00 C ATOM 1807 SD MET B 12 81.427 4.212 -2.769 1.00 0.00 S ATOM 1808 CE MET B 12 82.688 2.971 -3.134 1.00 0.00 C ATOM 0 H MET B 12 83.329 4.757 -7.501 1.00 0.00 H new ATOM 0 HA MET B 12 80.520 4.687 -7.074 1.00 0.00 H new ATOM 0 HB2 MET B 12 82.368 3.589 -5.683 1.00 0.00 H new ATOM 0 HB3 MET B 12 82.699 5.164 -4.988 1.00 0.00 H new ATOM 0 HG2 MET B 12 80.073 5.197 -4.504 1.00 0.00 H new ATOM 0 HG3 MET B 12 80.197 3.461 -4.702 1.00 0.00 H new ATOM 0 HE1 MET B 12 82.984 2.471 -2.212 1.00 0.00 H new ATOM 0 HE2 MET B 12 82.285 2.237 -3.832 1.00 0.00 H new ATOM 0 HE3 MET B 12 83.557 3.455 -3.579 1.00 0.00 H new ATOM 1818 N VAL B 13 82.050 7.492 -6.267 1.00 0.00 N ATOM 1819 CA VAL B 13 81.814 8.924 -5.940 1.00 0.00 C ATOM 1820 C VAL B 13 81.382 9.702 -7.190 1.00 0.00 C ATOM 1821 O VAL B 13 80.489 10.523 -7.140 1.00 0.00 O ATOM 1822 CB VAL B 13 83.110 9.517 -5.389 1.00 0.00 C ATOM 1823 CG1 VAL B 13 82.887 10.979 -4.995 1.00 0.00 C ATOM 1824 CG2 VAL B 13 83.543 8.713 -4.162 1.00 0.00 C ATOM 0 H VAL B 13 83.030 7.229 -6.369 1.00 0.00 H new ATOM 0 HA VAL B 13 81.017 8.998 -5.200 1.00 0.00 H new ATOM 0 HB VAL B 13 83.886 9.472 -6.153 1.00 0.00 H new ATOM 0 HG11 VAL B 13 83.815 11.396 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL B 13 82.575 11.548 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL B 13 82.112 11.036 -4.230 1.00 0.00 H new ATOM 0 HG21 VAL B 13 84.468 9.129 -3.762 1.00 0.00 H new ATOM 0 HG22 VAL B 13 82.764 8.762 -3.401 1.00 0.00 H new ATOM 0 HG23 VAL B 13 83.707 7.674 -4.447 1.00 0.00 H new ATOM 1834 N SER B 14 82.020 9.469 -8.306 1.00 0.00 N ATOM 1835 CA SER B 14 81.652 10.218 -9.545 1.00 0.00 C ATOM 1836 C SER B 14 80.186 9.958 -9.912 1.00 0.00 C ATOM 1837 O SER B 14 79.454 10.871 -10.241 1.00 0.00 O ATOM 1838 CB SER B 14 82.552 9.771 -10.697 1.00 0.00 C ATOM 1839 OG SER B 14 83.905 10.081 -10.384 1.00 0.00 O ATOM 0 H SER B 14 82.778 8.795 -8.414 1.00 0.00 H new ATOM 0 HA SER B 14 81.786 11.284 -9.364 1.00 0.00 H new ATOM 0 HB2 SER B 14 82.442 8.700 -10.865 1.00 0.00 H new ATOM 0 HB3 SER B 14 82.256 10.271 -11.620 1.00 0.00 H new ATOM 0 HG SER B 14 84.187 9.563 -9.601 1.00 0.00 H new ATOM 1845 N THR B 15 79.746 8.730 -9.856 1.00 0.00 N ATOM 1846 CA THR B 15 78.322 8.447 -10.202 1.00 0.00 C ATOM 1847 C THR B 15 77.419 9.198 -9.218 1.00 0.00 C ATOM 1848 O THR B 15 76.406 9.759 -9.579 1.00 0.00 O ATOM 1849 CB THR B 15 78.072 6.926 -10.135 1.00 0.00 C ATOM 1850 OG1 THR B 15 77.007 6.587 -11.012 1.00 0.00 O ATOM 1851 CG2 THR B 15 77.719 6.479 -8.710 1.00 0.00 C ATOM 0 H THR B 15 80.303 7.918 -9.589 1.00 0.00 H new ATOM 0 HA THR B 15 78.098 8.785 -11.214 1.00 0.00 H new ATOM 0 HB THR B 15 78.987 6.416 -10.435 1.00 0.00 H new ATOM 0 HG1 THR B 15 76.902 5.613 -11.038 1.00 0.00 H new ATOM 0 HG21 THR B 15 77.549 5.402 -8.698 1.00 0.00 H new ATOM 0 HG22 THR B 15 78.541 6.724 -8.038 1.00 0.00 H new ATOM 0 HG23 THR B 15 76.816 6.993 -8.381 1.00 0.00 H new ATOM 1859 N PHE B 16 77.808 9.210 -7.977 1.00 0.00 N ATOM 1860 CA PHE B 16 77.019 9.915 -6.925 1.00 0.00 C ATOM 1861 C PHE B 16 76.925 11.399 -7.287 1.00 0.00 C ATOM 1862 O PHE B 16 75.900 12.031 -7.124 1.00 0.00 O ATOM 1863 CB PHE B 16 77.734 9.748 -5.581 1.00 0.00 C ATOM 1864 CG PHE B 16 76.958 10.433 -4.479 1.00 0.00 C ATOM 1865 CD1 PHE B 16 77.077 11.814 -4.288 1.00 0.00 C ATOM 1866 CD2 PHE B 16 76.132 9.679 -3.636 1.00 0.00 C ATOM 1867 CE1 PHE B 16 76.368 12.442 -3.255 1.00 0.00 C ATOM 1868 CE2 PHE B 16 75.424 10.307 -2.605 1.00 0.00 C ATOM 1869 CZ PHE B 16 75.541 11.687 -2.414 1.00 0.00 C ATOM 0 H PHE B 16 78.655 8.753 -7.638 1.00 0.00 H new ATOM 0 HA PHE B 16 76.014 9.498 -6.856 1.00 0.00 H new ATOM 0 HB2 PHE B 16 77.845 8.688 -5.351 1.00 0.00 H new ATOM 0 HB3 PHE B 16 78.738 10.168 -5.642 1.00 0.00 H new ATOM 0 HD1 PHE B 16 77.715 12.396 -4.937 1.00 0.00 H new ATOM 0 HD2 PHE B 16 76.041 8.613 -3.782 1.00 0.00 H new ATOM 0 HE1 PHE B 16 76.459 13.508 -3.108 1.00 0.00 H new ATOM 0 HE2 PHE B 16 74.786 9.725 -1.956 1.00 0.00 H new ATOM 0 HZ PHE B 16 74.994 12.171 -1.618 1.00 0.00 H new ATOM 1879 N HIS B 17 77.994 11.952 -7.781 1.00 0.00 N ATOM 1880 CA HIS B 17 77.999 13.389 -8.165 1.00 0.00 C ATOM 1881 C HIS B 17 76.940 13.626 -9.239 1.00 0.00 C ATOM 1882 O HIS B 17 76.256 14.629 -9.239 1.00 0.00 O ATOM 1883 CB HIS B 17 79.379 13.755 -8.718 1.00 0.00 C ATOM 1884 CG HIS B 17 79.396 15.201 -9.133 1.00 0.00 C ATOM 1885 ND1 HIS B 17 79.369 15.583 -10.467 1.00 0.00 N ATOM 1886 CD2 HIS B 17 79.442 16.367 -8.409 1.00 0.00 C ATOM 1887 CE1 HIS B 17 79.398 16.928 -10.505 1.00 0.00 C ATOM 1888 NE2 HIS B 17 79.443 17.451 -9.280 1.00 0.00 N ATOM 0 H HIS B 17 78.876 11.464 -7.937 1.00 0.00 H new ATOM 0 HA HIS B 17 77.778 14.006 -7.294 1.00 0.00 H new ATOM 0 HB2 HIS B 17 80.143 13.575 -7.962 1.00 0.00 H new ATOM 0 HB3 HIS B 17 79.619 13.120 -9.571 1.00 0.00 H new ATOM 0 HD2 HIS B 17 79.473 16.432 -7.331 1.00 0.00 H new ATOM 0 HE1 HIS B 17 79.386 17.511 -11.414 1.00 0.00 H new ATOM 0 HE2 HIS B 17 79.472 18.440 -9.033 1.00 0.00 H new ATOM 1897 N LYS B 18 76.799 12.714 -10.157 1.00 0.00 N ATOM 1898 CA LYS B 18 75.785 12.895 -11.228 1.00 0.00 C ATOM 1899 C LYS B 18 74.396 13.008 -10.596 1.00 0.00 C ATOM 1900 O LYS B 18 73.597 13.841 -10.978 1.00 0.00 O ATOM 1901 CB LYS B 18 75.825 11.683 -12.161 1.00 0.00 C ATOM 1902 CG LYS B 18 74.832 11.874 -13.306 1.00 0.00 C ATOM 1903 CD LYS B 18 74.885 10.656 -14.226 1.00 0.00 C ATOM 1904 CE LYS B 18 73.895 10.846 -15.373 1.00 0.00 C ATOM 1905 NZ LYS B 18 72.504 10.712 -14.854 1.00 0.00 N ATOM 0 H LYS B 18 77.342 11.852 -10.212 1.00 0.00 H new ATOM 0 HA LYS B 18 76.000 13.802 -11.794 1.00 0.00 H new ATOM 0 HB2 LYS B 18 76.831 11.553 -12.559 1.00 0.00 H new ATOM 0 HB3 LYS B 18 75.582 10.777 -11.605 1.00 0.00 H new ATOM 0 HG2 LYS B 18 73.824 12.003 -12.911 1.00 0.00 H new ATOM 0 HG3 LYS B 18 75.073 12.778 -13.865 1.00 0.00 H new ATOM 0 HD2 LYS B 18 75.893 10.526 -14.619 1.00 0.00 H new ATOM 0 HD3 LYS B 18 74.642 9.753 -13.667 1.00 0.00 H new ATOM 0 HE2 LYS B 18 74.032 11.827 -15.828 1.00 0.00 H new ATOM 0 HE3 LYS B 18 74.077 10.105 -16.152 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 71.847 10.586 -15.650 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 72.447 9.886 -14.224 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 72.247 11.570 -14.325 1.00 0.00 H new ATOM 1919 N TYR B 19 74.101 12.186 -9.626 1.00 0.00 N ATOM 1920 CA TYR B 19 72.761 12.265 -8.971 1.00 0.00 C ATOM 1921 C TYR B 19 72.670 13.546 -8.147 1.00 0.00 C ATOM 1922 O TYR B 19 71.653 14.209 -8.124 1.00 0.00 O ATOM 1923 CB TYR B 19 72.541 11.051 -8.068 1.00 0.00 C ATOM 1924 CG TYR B 19 72.234 9.840 -8.921 1.00 0.00 C ATOM 1925 CD1 TYR B 19 70.925 9.616 -9.365 1.00 0.00 C ATOM 1926 CD2 TYR B 19 73.253 8.948 -9.269 1.00 0.00 C ATOM 1927 CE1 TYR B 19 70.634 8.502 -10.159 1.00 0.00 C ATOM 1928 CE2 TYR B 19 72.966 7.831 -10.062 1.00 0.00 C ATOM 1929 CZ TYR B 19 71.655 7.608 -10.509 1.00 0.00 C ATOM 1930 OH TYR B 19 71.368 6.513 -11.297 1.00 0.00 O ATOM 0 H TYR B 19 74.724 11.467 -9.259 1.00 0.00 H new ATOM 0 HA TYR B 19 71.989 12.273 -9.741 1.00 0.00 H new ATOM 0 HB2 TYR B 19 73.429 10.868 -7.463 1.00 0.00 H new ATOM 0 HB3 TYR B 19 71.719 11.241 -7.378 1.00 0.00 H new ATOM 0 HD1 TYR B 19 70.139 10.305 -9.094 1.00 0.00 H new ATOM 0 HD2 TYR B 19 74.262 9.121 -8.926 1.00 0.00 H new ATOM 0 HE1 TYR B 19 69.624 8.331 -10.502 1.00 0.00 H new ATOM 0 HE2 TYR B 19 73.753 7.141 -10.330 1.00 0.00 H new ATOM 0 HH TYR B 19 72.005 6.469 -12.041 1.00 0.00 H new ATOM 1940 N SER B 20 73.729 13.903 -7.473 1.00 0.00 N ATOM 1941 CA SER B 20 73.707 15.147 -6.653 1.00 0.00 C ATOM 1942 C SER B 20 73.126 16.282 -7.494 1.00 0.00 C ATOM 1943 O SER B 20 72.620 17.258 -6.978 1.00 0.00 O ATOM 1944 CB SER B 20 75.131 15.505 -6.232 1.00 0.00 C ATOM 1945 OG SER B 20 75.138 16.806 -5.660 1.00 0.00 O ATOM 0 H SER B 20 74.609 13.387 -7.455 1.00 0.00 H new ATOM 0 HA SER B 20 73.096 14.993 -5.763 1.00 0.00 H new ATOM 0 HB2 SER B 20 75.504 14.777 -5.512 1.00 0.00 H new ATOM 0 HB3 SER B 20 75.797 15.471 -7.094 1.00 0.00 H new ATOM 0 HG SER B 20 75.844 17.343 -6.076 1.00 0.00 H new ATOM 1951 N GLY B 21 73.192 16.153 -8.788 1.00 0.00 N ATOM 1952 CA GLY B 21 72.638 17.218 -9.669 1.00 0.00 C ATOM 1953 C GLY B 21 71.123 17.298 -9.474 1.00 0.00 C ATOM 1954 O GLY B 21 70.563 18.361 -9.293 1.00 0.00 O ATOM 0 H GLY B 21 73.605 15.357 -9.274 1.00 0.00 H new ATOM 0 HA2 GLY B 21 73.098 18.177 -9.432 1.00 0.00 H new ATOM 0 HA3 GLY B 21 72.871 17.001 -10.712 1.00 0.00 H new ATOM 1958 N LYS B 22 70.457 16.176 -9.509 1.00 0.00 N ATOM 1959 CA LYS B 22 68.977 16.173 -9.325 1.00 0.00 C ATOM 1960 C LYS B 22 68.652 16.606 -7.898 1.00 0.00 C ATOM 1961 O LYS B 22 67.825 17.466 -7.668 1.00 0.00 O ATOM 1962 CB LYS B 22 68.447 14.755 -9.536 1.00 0.00 C ATOM 1963 CG LYS B 22 68.944 14.214 -10.881 1.00 0.00 C ATOM 1964 CD LYS B 22 68.586 12.721 -11.015 1.00 0.00 C ATOM 1965 CE LYS B 22 69.580 12.030 -11.951 1.00 0.00 C ATOM 1966 NZ LYS B 22 69.459 12.604 -13.321 1.00 0.00 N ATOM 0 H LYS B 22 70.876 15.258 -9.658 1.00 0.00 H new ATOM 0 HA LYS B 22 68.517 16.855 -10.040 1.00 0.00 H new ATOM 0 HB2 LYS B 22 68.782 14.107 -8.726 1.00 0.00 H new ATOM 0 HB3 LYS B 22 67.357 14.756 -9.514 1.00 0.00 H new ATOM 0 HG2 LYS B 22 68.494 14.779 -11.698 1.00 0.00 H new ATOM 0 HG3 LYS B 22 70.023 14.346 -10.959 1.00 0.00 H new ATOM 0 HD2 LYS B 22 68.604 12.244 -10.035 1.00 0.00 H new ATOM 0 HD3 LYS B 22 67.573 12.614 -11.403 1.00 0.00 H new ATOM 0 HE2 LYS B 22 70.596 12.161 -11.579 1.00 0.00 H new ATOM 0 HE3 LYS B 22 69.386 10.958 -11.977 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 69.993 12.016 -13.992 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 68.458 12.626 -13.601 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 69.842 13.571 -13.327 1.00 0.00 H new ATOM 1980 N GLU B 23 69.302 16.008 -6.937 1.00 0.00 N ATOM 1981 CA GLU B 23 69.033 16.375 -5.513 1.00 0.00 C ATOM 1982 C GLU B 23 69.721 17.702 -5.190 1.00 0.00 C ATOM 1983 O GLU B 23 70.810 17.980 -5.649 1.00 0.00 O ATOM 1984 CB GLU B 23 69.570 15.282 -4.586 1.00 0.00 C ATOM 1985 CG GLU B 23 69.192 15.588 -3.129 1.00 0.00 C ATOM 1986 CD GLU B 23 67.671 15.536 -2.966 1.00 0.00 C ATOM 1987 OE1 GLU B 23 67.023 14.968 -3.830 1.00 0.00 O ATOM 1988 OE2 GLU B 23 67.182 16.062 -1.981 1.00 0.00 O ATOM 0 H GLU B 23 70.006 15.283 -7.073 1.00 0.00 H new ATOM 0 HA GLU B 23 67.958 16.476 -5.364 1.00 0.00 H new ATOM 0 HB2 GLU B 23 69.163 14.314 -4.879 1.00 0.00 H new ATOM 0 HB3 GLU B 23 70.654 15.214 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU B 23 69.663 14.866 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU B 23 69.564 16.573 -2.846 1.00 0.00 H new ATOM 1995 N GLY B 24 69.087 18.522 -4.403 1.00 0.00 N ATOM 1996 CA GLY B 24 69.692 19.837 -4.043 1.00 0.00 C ATOM 1997 C GLY B 24 70.885 19.636 -3.100 1.00 0.00 C ATOM 1998 O GLY B 24 71.903 20.286 -3.228 1.00 0.00 O ATOM 0 H GLY B 24 68.172 18.340 -3.991 1.00 0.00 H new ATOM 0 HA2 GLY B 24 70.017 20.354 -4.946 1.00 0.00 H new ATOM 0 HA3 GLY B 24 68.944 20.470 -3.564 1.00 0.00 H new ATOM 2002 N ASP B 25 70.766 18.749 -2.145 1.00 0.00 N ATOM 2003 CA ASP B 25 71.891 18.521 -1.187 1.00 0.00 C ATOM 2004 C ASP B 25 72.895 17.524 -1.770 1.00 0.00 C ATOM 2005 O ASP B 25 72.550 16.418 -2.140 1.00 0.00 O ATOM 2006 CB ASP B 25 71.333 17.970 0.127 1.00 0.00 C ATOM 2007 CG ASP B 25 70.600 19.082 0.882 1.00 0.00 C ATOM 2008 OD1 ASP B 25 70.926 20.236 0.664 1.00 0.00 O ATOM 2009 OD2 ASP B 25 69.724 18.757 1.668 1.00 0.00 O ATOM 0 H ASP B 25 69.939 18.173 -1.987 1.00 0.00 H new ATOM 0 HA ASP B 25 72.399 19.468 -1.007 1.00 0.00 H new ATOM 0 HB2 ASP B 25 70.652 17.143 -0.074 1.00 0.00 H new ATOM 0 HB3 ASP B 25 72.143 17.574 0.740 1.00 0.00 H new ATOM 2014 N LYS B 26 74.140 17.913 -1.843 1.00 0.00 N ATOM 2015 CA LYS B 26 75.196 17.007 -2.387 1.00 0.00 C ATOM 2016 C LYS B 26 75.822 16.194 -1.255 1.00 0.00 C ATOM 2017 O LYS B 26 76.499 15.212 -1.485 1.00 0.00 O ATOM 2018 CB LYS B 26 76.276 17.848 -3.078 1.00 0.00 C ATOM 2019 CG LYS B 26 77.373 16.931 -3.628 1.00 0.00 C ATOM 2020 CD LYS B 26 78.307 17.726 -4.549 1.00 0.00 C ATOM 2021 CE LYS B 26 79.109 18.748 -3.732 1.00 0.00 C ATOM 2022 NZ LYS B 26 80.249 19.252 -4.550 1.00 0.00 N ATOM 0 H LYS B 26 74.475 18.830 -1.546 1.00 0.00 H new ATOM 0 HA LYS B 26 74.748 16.322 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS B 26 75.835 18.429 -3.888 1.00 0.00 H new ATOM 0 HB3 LYS B 26 76.704 18.559 -2.371 1.00 0.00 H new ATOM 0 HG2 LYS B 26 77.942 16.497 -2.806 1.00 0.00 H new ATOM 0 HG3 LYS B 26 76.925 16.103 -4.177 1.00 0.00 H new ATOM 0 HD2 LYS B 26 78.986 17.047 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS B 26 77.725 18.238 -5.316 1.00 0.00 H new ATOM 0 HE2 LYS B 26 78.466 19.577 -3.434 1.00 0.00 H new ATOM 0 HE3 LYS B 26 79.480 18.287 -2.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 80.793 19.945 -3.997 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 80.866 18.457 -4.813 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 79.884 19.706 -5.411 1.00 0.00 H new ATOM 2036 N PHE B 27 75.610 16.592 -0.033 1.00 0.00 N ATOM 2037 CA PHE B 27 76.205 15.838 1.110 1.00 0.00 C ATOM 2038 C PHE B 27 75.284 14.683 1.505 1.00 0.00 C ATOM 2039 O PHE B 27 75.623 13.871 2.342 1.00 0.00 O ATOM 2040 CB PHE B 27 76.380 16.781 2.305 1.00 0.00 C ATOM 2041 CG PHE B 27 76.927 16.016 3.491 1.00 0.00 C ATOM 2042 CD1 PHE B 27 78.311 15.908 3.680 1.00 0.00 C ATOM 2043 CD2 PHE B 27 76.048 15.420 4.405 1.00 0.00 C ATOM 2044 CE1 PHE B 27 78.815 15.206 4.783 1.00 0.00 C ATOM 2045 CE2 PHE B 27 76.554 14.717 5.506 1.00 0.00 C ATOM 2046 CZ PHE B 27 77.936 14.610 5.695 1.00 0.00 C ATOM 0 H PHE B 27 75.052 17.405 0.226 1.00 0.00 H new ATOM 0 HA PHE B 27 77.174 15.439 0.812 1.00 0.00 H new ATOM 0 HB2 PHE B 27 77.057 17.593 2.042 1.00 0.00 H new ATOM 0 HB3 PHE B 27 75.423 17.235 2.564 1.00 0.00 H new ATOM 0 HD1 PHE B 27 78.990 16.366 2.975 1.00 0.00 H new ATOM 0 HD2 PHE B 27 74.981 15.503 4.261 1.00 0.00 H new ATOM 0 HE1 PHE B 27 79.882 15.125 4.930 1.00 0.00 H new ATOM 0 HE2 PHE B 27 75.876 14.257 6.210 1.00 0.00 H new ATOM 0 HZ PHE B 27 78.325 14.068 6.544 1.00 0.00 H new ATOM 2056 N LYS B 28 74.115 14.603 0.927 1.00 0.00 N ATOM 2057 CA LYS B 28 73.189 13.495 1.308 1.00 0.00 C ATOM 2058 C LYS B 28 72.098 13.306 0.244 1.00 0.00 C ATOM 2059 O LYS B 28 71.823 14.194 -0.538 1.00 0.00 O ATOM 2060 CB LYS B 28 72.546 13.842 2.654 1.00 0.00 C ATOM 2061 CG LYS B 28 71.896 15.227 2.570 1.00 0.00 C ATOM 2062 CD LYS B 28 71.250 15.583 3.913 1.00 0.00 C ATOM 2063 CE LYS B 28 70.600 16.966 3.814 1.00 0.00 C ATOM 2064 NZ LYS B 28 70.134 17.398 5.163 1.00 0.00 N ATOM 0 H LYS B 28 73.764 15.246 0.218 1.00 0.00 H new ATOM 0 HA LYS B 28 73.751 12.564 1.384 1.00 0.00 H new ATOM 0 HB2 LYS B 28 71.798 13.093 2.915 1.00 0.00 H new ATOM 0 HB3 LYS B 28 73.299 13.829 3.442 1.00 0.00 H new ATOM 0 HG2 LYS B 28 72.645 15.974 2.307 1.00 0.00 H new ATOM 0 HG3 LYS B 28 71.144 15.238 1.781 1.00 0.00 H new ATOM 0 HD2 LYS B 28 70.502 14.836 4.179 1.00 0.00 H new ATOM 0 HD3 LYS B 28 72.001 15.578 4.703 1.00 0.00 H new ATOM 0 HE2 LYS B 28 71.314 17.687 3.417 1.00 0.00 H new ATOM 0 HE3 LYS B 28 69.760 16.935 3.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 69.693 18.337 5.094 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 69.439 16.715 5.525 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 70.945 17.444 5.812 1.00 0.00 H new ATOM 2078 N LEU B 29 71.453 12.159 0.237 1.00 0.00 N ATOM 2079 CA LEU B 29 70.344 11.904 -0.746 1.00 0.00 C ATOM 2080 C LEU B 29 69.137 11.423 0.040 1.00 0.00 C ATOM 2081 O LEU B 29 69.222 11.157 1.221 1.00 0.00 O ATOM 2082 CB LEU B 29 70.691 10.791 -1.754 1.00 0.00 C ATOM 2083 CG LEU B 29 72.081 10.969 -2.361 1.00 0.00 C ATOM 2084 CD1 LEU B 29 72.394 9.727 -3.209 1.00 0.00 C ATOM 2085 CD2 LEU B 29 72.110 12.217 -3.250 1.00 0.00 C ATOM 0 H LEU B 29 71.648 11.385 0.872 1.00 0.00 H new ATOM 0 HA LEU B 29 70.166 12.828 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU B 29 70.636 9.823 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU B 29 69.948 10.782 -2.551 1.00 0.00 H new ATOM 0 HG LEU B 29 72.821 11.088 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU B 29 73.384 9.830 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU B 29 72.371 8.840 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU B 29 71.649 9.629 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU B 29 73.105 12.336 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU B 29 71.380 12.109 -4.052 1.00 0.00 H new ATOM 0 HD23 LEU B 29 71.865 13.095 -2.652 1.00 0.00 H new ATOM 2097 N ASN B 30 68.022 11.269 -0.615 1.00 0.00 N ATOM 2098 CA ASN B 30 66.817 10.752 0.084 1.00 0.00 C ATOM 2099 C ASN B 30 66.732 9.247 -0.172 1.00 0.00 C ATOM 2100 O ASN B 30 66.868 8.795 -1.288 1.00 0.00 O ATOM 2101 CB ASN B 30 65.563 11.444 -0.453 1.00 0.00 C ATOM 2102 CG ASN B 30 65.536 12.894 0.035 1.00 0.00 C ATOM 2103 OD1 ASN B 30 66.168 13.227 1.019 1.00 0.00 O ATOM 2104 ND2 ASN B 30 64.826 13.777 -0.612 1.00 0.00 N ATOM 0 H ASN B 30 67.894 11.479 -1.605 1.00 0.00 H new ATOM 0 HA ASN B 30 66.887 10.951 1.153 1.00 0.00 H new ATOM 0 HB2 ASN B 30 65.556 11.415 -1.543 1.00 0.00 H new ATOM 0 HB3 ASN B 30 64.670 10.918 -0.115 1.00 0.00 H new ATOM 0 HD21 ASN B 30 64.802 14.745 -0.292 1.00 0.00 H new ATOM 0 HD22 ASN B 30 64.295 13.499 -1.438 1.00 0.00 H new ATOM 2111 N LYS B 31 66.530 8.469 0.855 1.00 0.00 N ATOM 2112 CA LYS B 31 66.455 6.991 0.684 1.00 0.00 C ATOM 2113 C LYS B 31 65.602 6.652 -0.538 1.00 0.00 C ATOM 2114 O LYS B 31 65.813 5.665 -1.190 1.00 0.00 O ATOM 2115 CB LYS B 31 65.853 6.344 1.936 1.00 0.00 C ATOM 2116 CG LYS B 31 66.856 6.400 3.091 1.00 0.00 C ATOM 2117 CD LYS B 31 66.362 5.516 4.240 1.00 0.00 C ATOM 2118 CE LYS B 31 67.202 5.789 5.489 1.00 0.00 C ATOM 2119 NZ LYS B 31 66.685 4.972 6.621 1.00 0.00 N ATOM 0 H LYS B 31 66.413 8.797 1.814 1.00 0.00 H new ATOM 0 HA LYS B 31 67.462 6.602 0.536 1.00 0.00 H new ATOM 0 HB2 LYS B 31 64.935 6.860 2.216 1.00 0.00 H new ATOM 0 HB3 LYS B 31 65.585 5.308 1.727 1.00 0.00 H new ATOM 0 HG2 LYS B 31 67.835 6.062 2.753 1.00 0.00 H new ATOM 0 HG3 LYS B 31 66.975 7.428 3.434 1.00 0.00 H new ATOM 0 HD2 LYS B 31 65.311 5.719 4.444 1.00 0.00 H new ATOM 0 HD3 LYS B 31 66.435 4.465 3.962 1.00 0.00 H new ATOM 0 HE2 LYS B 31 68.247 5.546 5.298 1.00 0.00 H new ATOM 0 HE3 LYS B 31 67.163 6.848 5.743 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 66.543 5.581 7.452 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 65.779 4.539 6.351 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 67.371 4.225 6.852 1.00 0.00 H new ATOM 2133 N SER B 32 64.665 7.471 -0.886 1.00 0.00 N ATOM 2134 CA SER B 32 63.863 7.164 -2.097 1.00 0.00 C ATOM 2135 C SER B 32 64.828 7.102 -3.265 1.00 0.00 C ATOM 2136 O SER B 32 64.736 6.253 -4.128 1.00 0.00 O ATOM 2137 CB SER B 32 62.829 8.244 -2.362 1.00 0.00 C ATOM 2138 OG SER B 32 61.938 8.331 -1.259 1.00 0.00 O ATOM 0 H SER B 32 64.418 8.330 -0.395 1.00 0.00 H new ATOM 0 HA SER B 32 63.331 6.223 -1.958 1.00 0.00 H new ATOM 0 HB2 SER B 32 63.322 9.203 -2.521 1.00 0.00 H new ATOM 0 HB3 SER B 32 62.275 8.016 -3.273 1.00 0.00 H new ATOM 0 HG SER B 32 61.272 9.029 -1.431 1.00 0.00 H new ATOM 2144 N GLU B 33 65.781 7.994 -3.280 1.00 0.00 N ATOM 2145 CA GLU B 33 66.777 7.976 -4.372 1.00 0.00 C ATOM 2146 C GLU B 33 67.475 6.640 -4.328 1.00 0.00 C ATOM 2147 O GLU B 33 67.991 6.182 -5.310 1.00 0.00 O ATOM 2148 CB GLU B 33 67.781 9.117 -4.206 1.00 0.00 C ATOM 2149 CG GLU B 33 67.072 10.453 -4.446 1.00 0.00 C ATOM 2150 CD GLU B 33 68.090 11.592 -4.388 1.00 0.00 C ATOM 2151 OE1 GLU B 33 69.238 11.349 -4.721 1.00 0.00 O ATOM 2152 OE2 GLU B 33 67.706 12.685 -4.007 1.00 0.00 O ATOM 0 H GLU B 33 65.907 8.729 -2.584 1.00 0.00 H new ATOM 0 HA GLU B 33 66.287 8.116 -5.336 1.00 0.00 H new ATOM 0 HB2 GLU B 33 68.212 9.095 -3.205 1.00 0.00 H new ATOM 0 HB3 GLU B 33 68.605 8.997 -4.910 1.00 0.00 H new ATOM 0 HG2 GLU B 33 66.576 10.444 -5.417 1.00 0.00 H new ATOM 0 HG3 GLU B 33 66.298 10.605 -3.694 1.00 0.00 H new ATOM 2159 N LEU B 34 67.477 5.980 -3.209 1.00 0.00 N ATOM 2160 CA LEU B 34 68.134 4.644 -3.194 1.00 0.00 C ATOM 2161 C LEU B 34 67.393 3.794 -4.213 1.00 0.00 C ATOM 2162 O LEU B 34 67.978 3.052 -4.977 1.00 0.00 O ATOM 2163 CB LEU B 34 68.004 4.016 -1.787 1.00 0.00 C ATOM 2164 CG LEU B 34 68.700 2.630 -1.628 1.00 0.00 C ATOM 2165 CD1 LEU B 34 67.733 1.478 -1.988 1.00 0.00 C ATOM 2166 CD2 LEU B 34 69.960 2.534 -2.491 1.00 0.00 C ATOM 0 H LEU B 34 67.067 6.292 -2.329 1.00 0.00 H new ATOM 0 HA LEU B 34 69.195 4.715 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU B 34 68.425 4.705 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU B 34 66.946 3.906 -1.549 1.00 0.00 H new ATOM 0 HG LEU B 34 68.989 2.535 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU B 34 68.244 0.523 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU B 34 66.866 1.511 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU B 34 67.406 1.587 -3.022 1.00 0.00 H new ATOM 0 HD21 LEU B 34 70.420 1.555 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU B 34 69.694 2.668 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU B 34 70.665 3.310 -2.193 1.00 0.00 H new ATOM 2178 N LYS B 35 66.093 3.911 -4.245 1.00 0.00 N ATOM 2179 CA LYS B 35 65.321 3.116 -5.226 1.00 0.00 C ATOM 2180 C LYS B 35 65.552 3.668 -6.630 1.00 0.00 C ATOM 2181 O LYS B 35 65.905 2.948 -7.541 1.00 0.00 O ATOM 2182 CB LYS B 35 63.835 3.202 -4.883 1.00 0.00 C ATOM 2183 CG LYS B 35 63.046 2.246 -5.774 1.00 0.00 C ATOM 2184 CD LYS B 35 61.564 2.343 -5.422 1.00 0.00 C ATOM 2185 CE LYS B 35 60.787 1.273 -6.184 1.00 0.00 C ATOM 2186 NZ LYS B 35 60.845 1.563 -7.646 1.00 0.00 N ATOM 0 H LYS B 35 65.542 4.518 -3.638 1.00 0.00 H new ATOM 0 HA LYS B 35 65.647 2.077 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS B 35 63.679 2.950 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS B 35 63.478 4.222 -5.022 1.00 0.00 H new ATOM 0 HG2 LYS B 35 63.200 2.497 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS B 35 63.399 1.224 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS B 35 61.425 2.213 -4.349 1.00 0.00 H new ATOM 0 HD3 LYS B 35 61.184 3.333 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS B 35 61.208 0.288 -5.981 1.00 0.00 H new ATOM 0 HE3 LYS B 35 59.750 1.252 -5.847 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 60.146 0.976 -8.144 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 60.632 2.568 -7.809 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 61.797 1.348 -8.005 1.00 0.00 H new ATOM 2200 N GLU B 36 65.349 4.943 -6.814 1.00 0.00 N ATOM 2201 CA GLU B 36 65.550 5.533 -8.164 1.00 0.00 C ATOM 2202 C GLU B 36 67.028 5.497 -8.545 1.00 0.00 C ATOM 2203 O GLU B 36 67.373 5.221 -9.676 1.00 0.00 O ATOM 2204 CB GLU B 36 65.049 6.978 -8.183 1.00 0.00 C ATOM 2205 CG GLU B 36 65.269 7.567 -9.575 1.00 0.00 C ATOM 2206 CD GLU B 36 64.551 8.915 -9.682 1.00 0.00 C ATOM 2207 OE1 GLU B 36 64.997 9.854 -9.045 1.00 0.00 O ATOM 2208 OE2 GLU B 36 63.566 8.982 -10.397 1.00 0.00 O ATOM 0 H GLU B 36 65.054 5.598 -6.090 1.00 0.00 H new ATOM 0 HA GLU B 36 64.984 4.946 -8.887 1.00 0.00 H new ATOM 0 HB2 GLU B 36 63.991 7.012 -7.924 1.00 0.00 H new ATOM 0 HB3 GLU B 36 65.579 7.569 -7.437 1.00 0.00 H new ATOM 0 HG2 GLU B 36 66.335 7.696 -9.762 1.00 0.00 H new ATOM 0 HG3 GLU B 36 64.892 6.882 -10.334 1.00 0.00 H new ATOM 2215 N LEU B 37 67.911 5.766 -7.623 1.00 0.00 N ATOM 2216 CA LEU B 37 69.351 5.733 -7.976 1.00 0.00 C ATOM 2217 C LEU B 37 69.679 4.332 -8.442 1.00 0.00 C ATOM 2218 O LEU B 37 70.412 4.134 -9.392 1.00 0.00 O ATOM 2219 CB LEU B 37 70.198 6.088 -6.742 1.00 0.00 C ATOM 2220 CG LEU B 37 71.706 6.111 -7.096 1.00 0.00 C ATOM 2221 CD1 LEU B 37 72.446 7.037 -6.119 1.00 0.00 C ATOM 2222 CD2 LEU B 37 72.324 4.691 -7.014 1.00 0.00 C ATOM 0 H LEU B 37 67.699 6.004 -6.654 1.00 0.00 H new ATOM 0 HA LEU B 37 69.569 6.456 -8.762 1.00 0.00 H new ATOM 0 HB2 LEU B 37 69.896 7.062 -6.356 1.00 0.00 H new ATOM 0 HB3 LEU B 37 70.017 5.361 -5.950 1.00 0.00 H new ATOM 0 HG LEU B 37 71.810 6.476 -8.118 1.00 0.00 H new ATOM 0 HD11 LEU B 37 73.507 7.054 -6.367 1.00 0.00 H new ATOM 0 HD12 LEU B 37 72.039 8.045 -6.195 1.00 0.00 H new ATOM 0 HD13 LEU B 37 72.317 6.669 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU B 37 73.383 4.740 -7.268 1.00 0.00 H new ATOM 0 HD22 LEU B 37 72.211 4.303 -6.002 1.00 0.00 H new ATOM 0 HD23 LEU B 37 71.813 4.031 -7.715 1.00 0.00 H new ATOM 2234 N LEU B 38 69.133 3.347 -7.788 1.00 0.00 N ATOM 2235 CA LEU B 38 69.430 1.946 -8.219 1.00 0.00 C ATOM 2236 C LEU B 38 68.671 1.605 -9.488 1.00 0.00 C ATOM 2237 O LEU B 38 69.188 0.947 -10.370 1.00 0.00 O ATOM 2238 CB LEU B 38 69.080 0.951 -7.108 1.00 0.00 C ATOM 2239 CG LEU B 38 70.170 0.984 -6.028 1.00 0.00 C ATOM 2240 CD1 LEU B 38 69.741 0.092 -4.860 1.00 0.00 C ATOM 2241 CD2 LEU B 38 71.517 0.491 -6.608 1.00 0.00 C ATOM 0 H LEU B 38 68.506 3.442 -6.989 1.00 0.00 H new ATOM 0 HA LEU B 38 70.498 1.874 -8.423 1.00 0.00 H new ATOM 0 HB2 LEU B 38 68.113 1.202 -6.672 1.00 0.00 H new ATOM 0 HB3 LEU B 38 68.992 -0.054 -7.520 1.00 0.00 H new ATOM 0 HG LEU B 38 70.303 2.008 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU B 38 70.510 0.109 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU B 38 68.802 0.461 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU B 38 69.605 -0.930 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU B 38 72.280 0.520 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU B 38 71.405 -0.531 -6.969 1.00 0.00 H new ATOM 0 HD23 LEU B 38 71.816 1.137 -7.434 1.00 0.00 H new ATOM 2253 N THR B 39 67.454 2.026 -9.599 1.00 0.00 N ATOM 2254 CA THR B 39 66.693 1.697 -10.821 1.00 0.00 C ATOM 2255 C THR B 39 67.279 2.463 -12.009 1.00 0.00 C ATOM 2256 O THR B 39 67.151 2.048 -13.144 1.00 0.00 O ATOM 2257 CB THR B 39 65.226 2.074 -10.638 1.00 0.00 C ATOM 2258 OG1 THR B 39 64.769 1.600 -9.378 1.00 0.00 O ATOM 2259 CG2 THR B 39 64.416 1.423 -11.752 1.00 0.00 C ATOM 0 H THR B 39 66.955 2.580 -8.903 1.00 0.00 H new ATOM 0 HA THR B 39 66.763 0.626 -11.010 1.00 0.00 H new ATOM 0 HB THR B 39 65.110 3.157 -10.676 1.00 0.00 H new ATOM 0 HG1 THR B 39 64.858 2.311 -8.709 1.00 0.00 H new ATOM 0 HG21 THR B 39 63.364 1.683 -11.636 1.00 0.00 H new ATOM 0 HG22 THR B 39 64.773 1.780 -12.718 1.00 0.00 H new ATOM 0 HG23 THR B 39 64.530 0.340 -11.700 1.00 0.00 H new ATOM 2267 N ARG B 40 67.928 3.577 -11.763 1.00 0.00 N ATOM 2268 CA ARG B 40 68.524 4.360 -12.893 1.00 0.00 C ATOM 2269 C ARG B 40 69.997 3.999 -13.064 1.00 0.00 C ATOM 2270 O ARG B 40 70.575 4.244 -14.105 1.00 0.00 O ATOM 2271 CB ARG B 40 68.394 5.865 -12.628 1.00 0.00 C ATOM 2272 CG ARG B 40 66.926 6.283 -12.739 1.00 0.00 C ATOM 2273 CD ARG B 40 66.817 7.810 -12.717 1.00 0.00 C ATOM 2274 NE ARG B 40 65.382 8.201 -12.821 1.00 0.00 N ATOM 2275 CZ ARG B 40 65.007 9.420 -12.544 1.00 0.00 C ATOM 2276 NH1 ARG B 40 65.876 10.295 -12.117 1.00 0.00 N ATOM 2277 NH2 ARG B 40 63.754 9.763 -12.684 1.00 0.00 N ATOM 0 H ARG B 40 68.070 3.976 -10.835 1.00 0.00 H new ATOM 0 HA ARG B 40 67.983 4.111 -13.806 1.00 0.00 H new ATOM 0 HB2 ARG B 40 68.776 6.104 -11.635 1.00 0.00 H new ATOM 0 HB3 ARG B 40 68.996 6.424 -13.344 1.00 0.00 H new ATOM 0 HG2 ARG B 40 66.496 5.892 -13.661 1.00 0.00 H new ATOM 0 HG3 ARG B 40 66.354 5.857 -11.915 1.00 0.00 H new ATOM 0 HD2 ARG B 40 67.248 8.204 -11.796 1.00 0.00 H new ATOM 0 HD3 ARG B 40 67.384 8.239 -13.543 1.00 0.00 H new ATOM 0 HE ARG B 40 64.689 7.511 -13.111 1.00 0.00 H new ATOM 0 HH11 ARG B 40 66.853 10.027 -11.998 1.00 0.00 H new ATOM 0 HH12 ARG B 40 65.578 11.247 -11.902 1.00 0.00 H new ATOM 0 HH21 ARG B 40 63.071 9.079 -13.009 1.00 0.00 H new ATOM 0 HH22 ARG B 40 63.459 10.715 -12.468 1.00 0.00 H new ATOM 2291 N GLU B 41 70.617 3.419 -12.060 1.00 0.00 N ATOM 2292 CA GLU B 41 72.066 3.047 -12.188 1.00 0.00 C ATOM 2293 C GLU B 41 72.188 1.541 -12.283 1.00 0.00 C ATOM 2294 O GLU B 41 73.163 1.022 -12.789 1.00 0.00 O ATOM 2295 CB GLU B 41 72.846 3.559 -10.971 1.00 0.00 C ATOM 2296 CG GLU B 41 74.350 3.517 -11.267 1.00 0.00 C ATOM 2297 CD GLU B 41 75.110 4.244 -10.157 1.00 0.00 C ATOM 2298 OE1 GLU B 41 74.463 4.730 -9.242 1.00 0.00 O ATOM 2299 OE2 GLU B 41 76.325 4.309 -10.243 1.00 0.00 O ATOM 0 H GLU B 41 70.187 3.189 -11.164 1.00 0.00 H new ATOM 0 HA GLU B 41 72.480 3.502 -13.088 1.00 0.00 H new ATOM 0 HB2 GLU B 41 72.541 4.578 -10.733 1.00 0.00 H new ATOM 0 HB3 GLU B 41 72.620 2.947 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU B 41 74.689 2.483 -11.337 1.00 0.00 H new ATOM 0 HG3 GLU B 41 74.555 3.986 -12.230 1.00 0.00 H new ATOM 2306 N LEU B 42 71.204 0.830 -11.817 1.00 0.00 N ATOM 2307 CA LEU B 42 71.257 -0.656 -11.899 1.00 0.00 C ATOM 2308 C LEU B 42 69.841 -1.190 -12.178 1.00 0.00 C ATOM 2309 O LEU B 42 69.126 -1.527 -11.259 1.00 0.00 O ATOM 2310 CB LEU B 42 71.759 -1.240 -10.569 1.00 0.00 C ATOM 2311 CG LEU B 42 73.248 -0.896 -10.339 1.00 0.00 C ATOM 2312 CD1 LEU B 42 73.654 -1.276 -8.897 1.00 0.00 C ATOM 2313 CD2 LEU B 42 74.134 -1.654 -11.352 1.00 0.00 C ATOM 0 H LEU B 42 70.364 1.212 -11.382 1.00 0.00 H new ATOM 0 HA LEU B 42 71.937 -0.949 -12.699 1.00 0.00 H new ATOM 0 HB2 LEU B 42 71.160 -0.848 -9.747 1.00 0.00 H new ATOM 0 HB3 LEU B 42 71.628 -2.322 -10.571 1.00 0.00 H new ATOM 0 HG LEU B 42 73.390 0.175 -10.482 1.00 0.00 H new ATOM 0 HD11 LEU B 42 74.704 -1.032 -8.739 1.00 0.00 H new ATOM 0 HD12 LEU B 42 73.041 -0.719 -8.188 1.00 0.00 H new ATOM 0 HD13 LEU B 42 73.503 -2.345 -8.746 1.00 0.00 H new ATOM 0 HD21 LEU B 42 75.181 -1.403 -11.179 1.00 0.00 H new ATOM 0 HD22 LEU B 42 73.993 -2.728 -11.227 1.00 0.00 H new ATOM 0 HD23 LEU B 42 73.855 -1.367 -12.366 1.00 0.00 H new ATOM 2325 N PRO B 43 69.414 -1.256 -13.420 1.00 0.00 N ATOM 2326 CA PRO B 43 68.046 -1.756 -13.723 1.00 0.00 C ATOM 2327 C PRO B 43 67.944 -3.294 -13.614 1.00 0.00 C ATOM 2328 O PRO B 43 67.779 -3.833 -12.538 1.00 0.00 O ATOM 2329 CB PRO B 43 67.835 -1.251 -15.163 1.00 0.00 C ATOM 2330 CG PRO B 43 69.221 -0.932 -15.757 1.00 0.00 C ATOM 2331 CD PRO B 43 70.233 -0.841 -14.596 1.00 0.00 C ATOM 0 HA PRO B 43 67.287 -1.405 -13.024 1.00 0.00 H new ATOM 0 HB2 PRO B 43 67.327 -2.007 -15.762 1.00 0.00 H new ATOM 0 HB3 PRO B 43 67.203 -0.363 -15.168 1.00 0.00 H new ATOM 0 HG2 PRO B 43 69.520 -1.707 -16.462 1.00 0.00 H new ATOM 0 HG3 PRO B 43 69.191 0.007 -16.310 1.00 0.00 H new ATOM 0 HD2 PRO B 43 71.087 -1.501 -14.749 1.00 0.00 H new ATOM 0 HD3 PRO B 43 70.628 0.168 -14.480 1.00 0.00 H new ATOM 2339 N SER B 44 68.027 -3.999 -14.712 1.00 0.00 N ATOM 2340 CA SER B 44 67.920 -5.488 -14.662 1.00 0.00 C ATOM 2341 C SER B 44 69.035 -6.088 -13.797 1.00 0.00 C ATOM 2342 O SER B 44 68.818 -7.023 -13.064 1.00 0.00 O ATOM 2343 CB SER B 44 68.032 -6.048 -16.081 1.00 0.00 C ATOM 2344 OG SER B 44 66.866 -5.698 -16.817 1.00 0.00 O ATOM 0 H SER B 44 68.165 -3.607 -15.644 1.00 0.00 H new ATOM 0 HA SER B 44 66.958 -5.752 -14.224 1.00 0.00 H new ATOM 0 HB2 SER B 44 68.920 -5.650 -16.573 1.00 0.00 H new ATOM 0 HB3 SER B 44 68.144 -7.132 -16.049 1.00 0.00 H new ATOM 0 HG SER B 44 66.935 -6.054 -17.728 1.00 0.00 H new ATOM 2350 N PHE B 45 70.224 -5.566 -13.891 1.00 0.00 N ATOM 2351 CA PHE B 45 71.368 -6.115 -13.095 1.00 0.00 C ATOM 2352 C PHE B 45 71.027 -6.154 -11.603 1.00 0.00 C ATOM 2353 O PHE B 45 71.714 -6.778 -10.818 1.00 0.00 O ATOM 2354 CB PHE B 45 72.576 -5.209 -13.286 1.00 0.00 C ATOM 2355 CG PHE B 45 73.772 -5.804 -12.580 1.00 0.00 C ATOM 2356 CD1 PHE B 45 74.023 -5.483 -11.241 1.00 0.00 C ATOM 2357 CD2 PHE B 45 74.630 -6.674 -13.264 1.00 0.00 C ATOM 2358 CE1 PHE B 45 75.131 -6.032 -10.585 1.00 0.00 C ATOM 2359 CE2 PHE B 45 75.740 -7.224 -12.606 1.00 0.00 C ATOM 2360 CZ PHE B 45 75.989 -6.902 -11.267 1.00 0.00 C ATOM 0 H PHE B 45 70.460 -4.775 -14.490 1.00 0.00 H new ATOM 0 HA PHE B 45 71.577 -7.128 -13.439 1.00 0.00 H new ATOM 0 HB2 PHE B 45 72.790 -5.090 -14.348 1.00 0.00 H new ATOM 0 HB3 PHE B 45 72.364 -4.216 -12.890 1.00 0.00 H new ATOM 0 HD1 PHE B 45 73.362 -4.811 -10.714 1.00 0.00 H new ATOM 0 HD2 PHE B 45 74.437 -6.921 -14.297 1.00 0.00 H new ATOM 0 HE1 PHE B 45 75.324 -5.784 -9.552 1.00 0.00 H new ATOM 0 HE2 PHE B 45 76.402 -7.896 -13.132 1.00 0.00 H new ATOM 0 HZ PHE B 45 76.844 -7.325 -10.760 1.00 0.00 H new ATOM 2370 N LEU B 46 69.981 -5.487 -11.209 1.00 0.00 N ATOM 2371 CA LEU B 46 69.576 -5.462 -9.762 1.00 0.00 C ATOM 2372 C LEU B 46 68.101 -5.805 -9.684 1.00 0.00 C ATOM 2373 O LEU B 46 67.678 -6.629 -8.897 1.00 0.00 O ATOM 2374 CB LEU B 46 69.832 -4.064 -9.180 1.00 0.00 C ATOM 2375 CG LEU B 46 69.137 -3.907 -7.794 1.00 0.00 C ATOM 2376 CD1 LEU B 46 70.053 -3.154 -6.816 1.00 0.00 C ATOM 2377 CD2 LEU B 46 67.822 -3.118 -7.944 1.00 0.00 C ATOM 0 H LEU B 46 69.377 -4.949 -11.830 1.00 0.00 H new ATOM 0 HA LEU B 46 70.156 -6.183 -9.186 1.00 0.00 H new ATOM 0 HB2 LEU B 46 70.904 -3.899 -9.075 1.00 0.00 H new ATOM 0 HB3 LEU B 46 69.459 -3.305 -9.867 1.00 0.00 H new ATOM 0 HG LEU B 46 68.928 -4.904 -7.406 1.00 0.00 H new ATOM 0 HD11 LEU B 46 69.552 -3.053 -5.853 1.00 0.00 H new ATOM 0 HD12 LEU B 46 70.981 -3.710 -6.686 1.00 0.00 H new ATOM 0 HD13 LEU B 46 70.276 -2.164 -7.215 1.00 0.00 H new ATOM 0 HD21 LEU B 46 67.346 -3.015 -6.969 1.00 0.00 H new ATOM 0 HD22 LEU B 46 68.035 -2.129 -8.350 1.00 0.00 H new ATOM 0 HD23 LEU B 46 67.153 -3.651 -8.620 1.00 0.00 H new ATOM 2389 N GLY B 47 67.324 -5.221 -10.544 1.00 0.00 N ATOM 2390 CA GLY B 47 65.879 -5.553 -10.587 1.00 0.00 C ATOM 2391 C GLY B 47 65.780 -6.826 -11.409 1.00 0.00 C ATOM 2392 O GLY B 47 64.764 -7.142 -11.995 1.00 0.00 O ATOM 0 H GLY B 47 67.629 -4.524 -11.223 1.00 0.00 H new ATOM 0 HA2 GLY B 47 65.480 -5.702 -9.583 1.00 0.00 H new ATOM 0 HA3 GLY B 47 65.304 -4.746 -11.042 1.00 0.00 H new ATOM 2396 N LYS B 48 66.879 -7.534 -11.479 1.00 0.00 N ATOM 2397 CA LYS B 48 66.945 -8.776 -12.281 1.00 0.00 C ATOM 2398 C LYS B 48 65.707 -9.647 -12.014 1.00 0.00 C ATOM 2399 O LYS B 48 65.446 -10.597 -12.723 1.00 0.00 O ATOM 2400 CB LYS B 48 68.219 -9.553 -11.903 1.00 0.00 C ATOM 2401 CG LYS B 48 68.592 -10.554 -13.019 1.00 0.00 C ATOM 2402 CD LYS B 48 70.088 -10.884 -12.955 1.00 0.00 C ATOM 2403 CE LYS B 48 70.376 -11.762 -11.738 1.00 0.00 C ATOM 2404 NZ LYS B 48 71.806 -12.178 -11.761 1.00 0.00 N ATOM 0 H LYS B 48 67.747 -7.291 -11.001 1.00 0.00 H new ATOM 0 HA LYS B 48 66.970 -8.520 -13.340 1.00 0.00 H new ATOM 0 HB2 LYS B 48 69.042 -8.857 -11.740 1.00 0.00 H new ATOM 0 HB3 LYS B 48 68.062 -10.086 -10.965 1.00 0.00 H new ATOM 0 HG2 LYS B 48 68.006 -11.466 -12.910 1.00 0.00 H new ATOM 0 HG3 LYS B 48 68.347 -10.132 -13.993 1.00 0.00 H new ATOM 0 HD2 LYS B 48 70.395 -11.398 -13.866 1.00 0.00 H new ATOM 0 HD3 LYS B 48 70.670 -9.964 -12.896 1.00 0.00 H new ATOM 0 HE2 LYS B 48 70.159 -11.215 -10.821 1.00 0.00 H new ATOM 0 HE3 LYS B 48 69.729 -12.640 -11.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 72.007 -12.776 -10.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 71.998 -12.714 -12.631 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 72.413 -11.334 -11.734 1.00 0.00 H new ATOM 2418 N ARG B 49 64.952 -9.323 -10.995 1.00 0.00 N ATOM 2419 CA ARG B 49 63.723 -10.109 -10.657 1.00 0.00 C ATOM 2420 C ARG B 49 64.094 -11.538 -10.236 1.00 0.00 C ATOM 2421 O ARG B 49 63.529 -12.501 -10.712 1.00 0.00 O ATOM 2422 CB ARG B 49 62.782 -10.160 -11.869 1.00 0.00 C ATOM 2423 CG ARG B 49 61.382 -10.599 -11.424 1.00 0.00 C ATOM 2424 CD ARG B 49 60.454 -10.647 -12.638 1.00 0.00 C ATOM 2425 NE ARG B 49 60.146 -9.257 -13.077 1.00 0.00 N ATOM 2426 CZ ARG B 49 59.612 -9.044 -14.249 1.00 0.00 C ATOM 2427 NH1 ARG B 49 59.326 -10.050 -15.027 1.00 0.00 N ATOM 2428 NH2 ARG B 49 59.358 -7.824 -14.636 1.00 0.00 N ATOM 0 H ARG B 49 65.137 -8.536 -10.373 1.00 0.00 H new ATOM 0 HA ARG B 49 63.219 -9.616 -9.826 1.00 0.00 H new ATOM 0 HB2 ARG B 49 62.732 -9.180 -12.343 1.00 0.00 H new ATOM 0 HB3 ARG B 49 63.171 -10.855 -12.614 1.00 0.00 H new ATOM 0 HG2 ARG B 49 61.430 -11.580 -10.950 1.00 0.00 H new ATOM 0 HG3 ARG B 49 60.990 -9.905 -10.681 1.00 0.00 H new ATOM 0 HD2 ARG B 49 60.926 -11.201 -13.449 1.00 0.00 H new ATOM 0 HD3 ARG B 49 59.533 -11.174 -12.386 1.00 0.00 H new ATOM 0 HE ARG B 49 60.353 -8.471 -12.461 1.00 0.00 H new ATOM 0 HH11 ARG B 49 59.519 -11.003 -14.720 1.00 0.00 H new ATOM 0 HH12 ARG B 49 58.909 -9.884 -15.943 1.00 0.00 H new ATOM 0 HH21 ARG B 49 59.577 -7.039 -14.023 1.00 0.00 H new ATOM 0 HH22 ARG B 49 58.941 -7.656 -15.551 1.00 0.00 H new ATOM 2442 N THR B 50 65.027 -11.687 -9.328 1.00 0.00 N ATOM 2443 CA THR B 50 65.404 -13.057 -8.859 1.00 0.00 C ATOM 2444 C THR B 50 64.618 -13.364 -7.583 1.00 0.00 C ATOM 2445 O THR B 50 64.406 -14.506 -7.224 1.00 0.00 O ATOM 2446 CB THR B 50 66.904 -13.111 -8.559 1.00 0.00 C ATOM 2447 OG1 THR B 50 67.260 -12.021 -7.721 1.00 0.00 O ATOM 2448 CG2 THR B 50 67.690 -13.035 -9.868 1.00 0.00 C ATOM 0 H THR B 50 65.542 -10.922 -8.892 1.00 0.00 H new ATOM 0 HA THR B 50 65.173 -13.790 -9.632 1.00 0.00 H new ATOM 0 HB THR B 50 67.140 -14.046 -8.052 1.00 0.00 H new ATOM 0 HG1 THR B 50 68.220 -12.057 -7.528 1.00 0.00 H new ATOM 0 HG21 THR B 50 68.758 -13.073 -9.654 1.00 0.00 H new ATOM 0 HG22 THR B 50 67.417 -13.876 -10.506 1.00 0.00 H new ATOM 0 HG23 THR B 50 67.456 -12.101 -10.379 1.00 0.00 H new ATOM 2456 N ASP B 51 64.177 -12.340 -6.902 1.00 0.00 N ATOM 2457 CA ASP B 51 63.392 -12.536 -5.650 1.00 0.00 C ATOM 2458 C ASP B 51 62.711 -11.215 -5.285 1.00 0.00 C ATOM 2459 O ASP B 51 61.554 -11.180 -4.920 1.00 0.00 O ATOM 2460 CB ASP B 51 64.326 -12.957 -4.514 1.00 0.00 C ATOM 2461 CG ASP B 51 63.493 -13.383 -3.303 1.00 0.00 C ATOM 2462 OD1 ASP B 51 62.302 -13.117 -3.307 1.00 0.00 O ATOM 2463 OD2 ASP B 51 64.058 -13.965 -2.393 1.00 0.00 O ATOM 0 H ASP B 51 64.329 -11.366 -7.163 1.00 0.00 H new ATOM 0 HA ASP B 51 62.644 -13.314 -5.803 1.00 0.00 H new ATOM 0 HB2 ASP B 51 64.963 -13.780 -4.838 1.00 0.00 H new ATOM 0 HB3 ASP B 51 64.984 -12.131 -4.244 1.00 0.00 H new ATOM 2468 N GLU B 52 63.435 -10.130 -5.389 1.00 0.00 N ATOM 2469 CA GLU B 52 62.866 -8.784 -5.066 1.00 0.00 C ATOM 2470 C GLU B 52 62.406 -8.727 -3.603 1.00 0.00 C ATOM 2471 O GLU B 52 62.076 -7.676 -3.093 1.00 0.00 O ATOM 2472 CB GLU B 52 61.675 -8.499 -5.991 1.00 0.00 C ATOM 2473 CG GLU B 52 61.273 -7.026 -5.879 1.00 0.00 C ATOM 2474 CD GLU B 52 60.208 -6.708 -6.930 1.00 0.00 C ATOM 2475 OE1 GLU B 52 59.935 -7.569 -7.749 1.00 0.00 O ATOM 2476 OE2 GLU B 52 59.683 -5.606 -6.896 1.00 0.00 O ATOM 0 H GLU B 52 64.410 -10.118 -5.688 1.00 0.00 H new ATOM 0 HA GLU B 52 63.640 -8.031 -5.216 1.00 0.00 H new ATOM 0 HB2 GLU B 52 61.938 -8.736 -7.022 1.00 0.00 H new ATOM 0 HB3 GLU B 52 60.833 -9.137 -5.722 1.00 0.00 H new ATOM 0 HG2 GLU B 52 60.888 -6.818 -4.881 1.00 0.00 H new ATOM 0 HG3 GLU B 52 62.145 -6.388 -6.024 1.00 0.00 H new ATOM 2483 N ALA B 53 62.378 -9.835 -2.914 1.00 0.00 N ATOM 2484 CA ALA B 53 61.929 -9.805 -1.492 1.00 0.00 C ATOM 2485 C ALA B 53 62.910 -8.987 -0.646 1.00 0.00 C ATOM 2486 O ALA B 53 62.525 -8.061 0.040 1.00 0.00 O ATOM 2487 CB ALA B 53 61.851 -11.233 -0.952 1.00 0.00 C ATOM 0 H ALA B 53 62.644 -10.753 -3.270 1.00 0.00 H new ATOM 0 HA ALA B 53 60.944 -9.340 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA B 53 61.523 -11.212 0.087 1.00 0.00 H new ATOM 0 HB2 ALA B 53 61.140 -11.808 -1.545 1.00 0.00 H new ATOM 0 HB3 ALA B 53 62.834 -11.699 -1.012 1.00 0.00 H new ATOM 2493 N ALA B 54 64.170 -9.318 -0.684 1.00 0.00 N ATOM 2494 CA ALA B 54 65.164 -8.553 0.124 1.00 0.00 C ATOM 2495 C ALA B 54 65.213 -7.114 -0.363 1.00 0.00 C ATOM 2496 O ALA B 54 65.210 -6.181 0.415 1.00 0.00 O ATOM 2497 CB ALA B 54 66.542 -9.186 -0.035 1.00 0.00 C ATOM 0 H ALA B 54 64.556 -10.083 -1.238 1.00 0.00 H new ATOM 0 HA ALA B 54 64.871 -8.573 1.174 1.00 0.00 H new ATOM 0 HB1 ALA B 54 67.269 -8.628 0.555 1.00 0.00 H new ATOM 0 HB2 ALA B 54 66.510 -10.219 0.311 1.00 0.00 H new ATOM 0 HB3 ALA B 54 66.833 -9.164 -1.085 1.00 0.00 H new ATOM 2503 N PHE B 55 65.248 -6.923 -1.643 1.00 0.00 N ATOM 2504 CA PHE B 55 65.284 -5.545 -2.176 1.00 0.00 C ATOM 2505 C PHE B 55 64.033 -4.823 -1.702 1.00 0.00 C ATOM 2506 O PHE B 55 64.063 -3.667 -1.331 1.00 0.00 O ATOM 2507 CB PHE B 55 65.277 -5.601 -3.692 1.00 0.00 C ATOM 2508 CG PHE B 55 66.545 -6.266 -4.176 1.00 0.00 C ATOM 2509 CD1 PHE B 55 67.687 -5.497 -4.428 1.00 0.00 C ATOM 2510 CD2 PHE B 55 66.580 -7.653 -4.368 1.00 0.00 C ATOM 2511 CE1 PHE B 55 68.863 -6.114 -4.872 1.00 0.00 C ATOM 2512 CE2 PHE B 55 67.755 -8.270 -4.812 1.00 0.00 C ATOM 2513 CZ PHE B 55 68.897 -7.501 -5.063 1.00 0.00 C ATOM 0 H PHE B 55 65.253 -7.663 -2.345 1.00 0.00 H new ATOM 0 HA PHE B 55 66.179 -5.026 -1.833 1.00 0.00 H new ATOM 0 HB2 PHE B 55 64.406 -6.155 -4.042 1.00 0.00 H new ATOM 0 HB3 PHE B 55 65.201 -4.595 -4.104 1.00 0.00 H new ATOM 0 HD1 PHE B 55 67.661 -4.428 -4.280 1.00 0.00 H new ATOM 0 HD2 PHE B 55 65.699 -8.247 -4.173 1.00 0.00 H new ATOM 0 HE1 PHE B 55 69.744 -5.520 -5.067 1.00 0.00 H new ATOM 0 HE2 PHE B 55 67.780 -9.339 -4.961 1.00 0.00 H new ATOM 0 HZ PHE B 55 69.804 -7.977 -5.404 1.00 0.00 H new ATOM 2523 N GLN B 56 62.930 -5.514 -1.706 1.00 0.00 N ATOM 2524 CA GLN B 56 61.664 -4.889 -1.250 1.00 0.00 C ATOM 2525 C GLN B 56 61.828 -4.460 0.196 1.00 0.00 C ATOM 2526 O GLN B 56 61.286 -3.462 0.629 1.00 0.00 O ATOM 2527 CB GLN B 56 60.508 -5.883 -1.371 1.00 0.00 C ATOM 2528 CG GLN B 56 59.213 -5.219 -0.896 1.00 0.00 C ATOM 2529 CD GLN B 56 58.036 -6.164 -1.139 1.00 0.00 C ATOM 2530 OE1 GLN B 56 58.045 -7.294 -0.693 1.00 0.00 O ATOM 2531 NE2 GLN B 56 57.017 -5.747 -1.840 1.00 0.00 N ATOM 0 H GLN B 56 62.852 -6.486 -2.006 1.00 0.00 H new ATOM 0 HA GLN B 56 61.438 -4.023 -1.872 1.00 0.00 H new ATOM 0 HB2 GLN B 56 60.403 -6.211 -2.405 1.00 0.00 H new ATOM 0 HB3 GLN B 56 60.714 -6.771 -0.774 1.00 0.00 H new ATOM 0 HG2 GLN B 56 59.284 -4.975 0.164 1.00 0.00 H new ATOM 0 HG3 GLN B 56 59.056 -4.281 -1.429 1.00 0.00 H new ATOM 0 HE21 GLN B 56 57.010 -4.798 -2.214 1.00 0.00 H new ATOM 0 HE22 GLN B 56 56.228 -6.370 -2.013 1.00 0.00 H new ATOM 2540 N LYS B 57 62.583 -5.202 0.944 1.00 0.00 N ATOM 2541 CA LYS B 57 62.792 -4.825 2.366 1.00 0.00 C ATOM 2542 C LYS B 57 63.644 -3.573 2.378 1.00 0.00 C ATOM 2543 O LYS B 57 63.402 -2.644 3.123 1.00 0.00 O ATOM 2544 CB LYS B 57 63.493 -5.951 3.143 1.00 0.00 C ATOM 2545 CG LYS B 57 62.546 -7.155 3.302 1.00 0.00 C ATOM 2546 CD LYS B 57 62.955 -7.996 4.523 1.00 0.00 C ATOM 2547 CE LYS B 57 64.450 -8.340 4.465 1.00 0.00 C ATOM 2548 NZ LYS B 57 65.243 -7.225 5.054 1.00 0.00 N ATOM 0 H LYS B 57 63.063 -6.048 0.638 1.00 0.00 H new ATOM 0 HA LYS B 57 61.832 -4.651 2.851 1.00 0.00 H new ATOM 0 HB2 LYS B 57 64.398 -6.257 2.618 1.00 0.00 H new ATOM 0 HB3 LYS B 57 63.801 -5.589 4.124 1.00 0.00 H new ATOM 0 HG2 LYS B 57 61.520 -6.807 3.419 1.00 0.00 H new ATOM 0 HG3 LYS B 57 62.574 -7.770 2.402 1.00 0.00 H new ATOM 0 HD2 LYS B 57 62.738 -7.447 5.439 1.00 0.00 H new ATOM 0 HD3 LYS B 57 62.366 -8.913 4.554 1.00 0.00 H new ATOM 0 HE2 LYS B 57 64.642 -9.264 5.010 1.00 0.00 H new ATOM 0 HE3 LYS B 57 64.754 -8.510 3.432 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 65.661 -6.656 4.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 64.621 -6.625 5.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 66.001 -7.615 5.650 1.00 0.00 H new ATOM 2562 N LEU B 58 64.614 -3.519 1.513 1.00 0.00 N ATOM 2563 CA LEU B 58 65.444 -2.294 1.432 1.00 0.00 C ATOM 2564 C LEU B 58 64.504 -1.206 0.948 1.00 0.00 C ATOM 2565 O LEU B 58 64.479 -0.104 1.454 1.00 0.00 O ATOM 2566 CB LEU B 58 66.599 -2.496 0.435 1.00 0.00 C ATOM 2567 CG LEU B 58 67.825 -3.073 1.154 1.00 0.00 C ATOM 2568 CD1 LEU B 58 67.524 -4.495 1.629 1.00 0.00 C ATOM 2569 CD2 LEU B 58 69.008 -3.106 0.184 1.00 0.00 C ATOM 0 H LEU B 58 64.865 -4.265 0.864 1.00 0.00 H new ATOM 0 HA LEU B 58 65.895 -2.041 2.391 1.00 0.00 H new ATOM 0 HB2 LEU B 58 66.286 -3.169 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU B 58 66.856 -1.545 -0.032 1.00 0.00 H new ATOM 0 HG LEU B 58 68.067 -2.448 2.014 1.00 0.00 H new ATOM 0 HD11 LEU B 58 68.398 -4.901 2.139 1.00 0.00 H new ATOM 0 HD12 LEU B 58 66.678 -4.478 2.316 1.00 0.00 H new ATOM 0 HD13 LEU B 58 67.281 -5.122 0.771 1.00 0.00 H new ATOM 0 HD21 LEU B 58 69.882 -3.515 0.690 1.00 0.00 H new ATOM 0 HD22 LEU B 58 68.759 -3.732 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU B 58 69.227 -2.094 -0.157 1.00 0.00 H new ATOM 2581 N MET B 59 63.690 -1.541 -0.014 1.00 0.00 N ATOM 2582 CA MET B 59 62.702 -0.558 -0.514 1.00 0.00 C ATOM 2583 C MET B 59 61.784 -0.202 0.644 1.00 0.00 C ATOM 2584 O MET B 59 61.398 0.933 0.842 1.00 0.00 O ATOM 2585 CB MET B 59 61.866 -1.156 -1.645 1.00 0.00 C ATOM 2586 CG MET B 59 61.060 -0.050 -2.332 1.00 0.00 C ATOM 2587 SD MET B 59 59.638 0.391 -1.302 1.00 0.00 S ATOM 2588 CE MET B 59 58.729 1.320 -2.561 1.00 0.00 C ATOM 0 H MET B 59 63.670 -2.452 -0.472 1.00 0.00 H new ATOM 0 HA MET B 59 63.220 0.321 -0.899 1.00 0.00 H new ATOM 0 HB2 MET B 59 62.515 -1.649 -2.369 1.00 0.00 H new ATOM 0 HB3 MET B 59 61.193 -1.917 -1.250 1.00 0.00 H new ATOM 0 HG2 MET B 59 61.689 0.825 -2.495 1.00 0.00 H new ATOM 0 HG3 MET B 59 60.722 -0.387 -3.312 1.00 0.00 H new ATOM 0 HE1 MET B 59 57.797 1.693 -2.136 1.00 0.00 H new ATOM 0 HE2 MET B 59 59.335 2.160 -2.901 1.00 0.00 H new ATOM 0 HE3 MET B 59 58.507 0.667 -3.405 1.00 0.00 H new ATOM 2598 N SER B 60 61.436 -1.184 1.417 1.00 0.00 N ATOM 2599 CA SER B 60 60.551 -0.930 2.585 1.00 0.00 C ATOM 2600 C SER B 60 61.335 -0.120 3.609 1.00 0.00 C ATOM 2601 O SER B 60 60.777 0.554 4.450 1.00 0.00 O ATOM 2602 CB SER B 60 60.115 -2.259 3.206 1.00 0.00 C ATOM 2603 OG SER B 60 58.996 -2.036 4.053 1.00 0.00 O ATOM 0 H SER B 60 61.725 -2.154 1.293 1.00 0.00 H new ATOM 0 HA SER B 60 59.662 -0.383 2.270 1.00 0.00 H new ATOM 0 HB2 SER B 60 59.857 -2.972 2.423 1.00 0.00 H new ATOM 0 HB3 SER B 60 60.936 -2.694 3.776 1.00 0.00 H new ATOM 0 HG SER B 60 58.713 -2.885 4.451 1.00 0.00 H new ATOM 2609 N ASN B 61 62.634 -0.180 3.544 1.00 0.00 N ATOM 2610 CA ASN B 61 63.443 0.600 4.521 1.00 0.00 C ATOM 2611 C ASN B 61 63.302 2.079 4.180 1.00 0.00 C ATOM 2612 O ASN B 61 63.193 2.923 5.042 1.00 0.00 O ATOM 2613 CB ASN B 61 64.914 0.178 4.458 1.00 0.00 C ATOM 2614 CG ASN B 61 65.669 0.788 5.639 1.00 0.00 C ATOM 2615 OD1 ASN B 61 65.227 0.701 6.768 1.00 0.00 O ATOM 2616 ND2 ASN B 61 66.798 1.405 5.426 1.00 0.00 N ATOM 0 H ASN B 61 63.166 -0.727 2.867 1.00 0.00 H new ATOM 0 HA ASN B 61 63.086 0.412 5.534 1.00 0.00 H new ATOM 0 HB2 ASN B 61 64.993 -0.909 4.484 1.00 0.00 H new ATOM 0 HB3 ASN B 61 65.358 0.508 3.519 1.00 0.00 H new ATOM 0 HD21 ASN B 61 67.310 1.815 6.207 1.00 0.00 H new ATOM 0 HD22 ASN B 61 67.169 1.478 4.478 1.00 0.00 H new ATOM 2623 N LEU B 62 63.272 2.397 2.921 1.00 0.00 N ATOM 2624 CA LEU B 62 63.093 3.823 2.535 1.00 0.00 C ATOM 2625 C LEU B 62 61.754 4.243 3.126 1.00 0.00 C ATOM 2626 O LEU B 62 61.519 5.389 3.448 1.00 0.00 O ATOM 2627 CB LEU B 62 63.104 3.978 0.996 1.00 0.00 C ATOM 2628 CG LEU B 62 63.914 2.845 0.346 1.00 0.00 C ATOM 2629 CD1 LEU B 62 63.922 3.032 -1.176 1.00 0.00 C ATOM 2630 CD2 LEU B 62 65.363 2.810 0.868 1.00 0.00 C ATOM 0 H LEU B 62 63.363 1.740 2.146 1.00 0.00 H new ATOM 0 HA LEU B 62 63.903 4.450 2.909 1.00 0.00 H new ATOM 0 HB2 LEU B 62 62.082 3.967 0.616 1.00 0.00 H new ATOM 0 HB3 LEU B 62 63.534 4.942 0.725 1.00 0.00 H new ATOM 0 HG LEU B 62 63.440 1.899 0.607 1.00 0.00 H new ATOM 0 HD11 LEU B 62 64.496 2.229 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU B 62 62.899 3.009 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU B 62 64.377 3.991 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU B 62 65.904 1.996 0.385 1.00 0.00 H new ATOM 0 HD22 LEU B 62 65.854 3.756 0.642 1.00 0.00 H new ATOM 0 HD23 LEU B 62 65.357 2.653 1.947 1.00 0.00 H new ATOM 2642 N ASP B 63 60.896 3.276 3.316 1.00 0.00 N ATOM 2643 CA ASP B 63 59.578 3.538 3.941 1.00 0.00 C ATOM 2644 C ASP B 63 59.749 3.368 5.452 1.00 0.00 C ATOM 2645 O ASP B 63 58.801 3.415 6.209 1.00 0.00 O ATOM 2646 CB ASP B 63 58.537 2.545 3.413 1.00 0.00 C ATOM 2647 CG ASP B 63 58.188 2.895 1.965 1.00 0.00 C ATOM 2648 OD1 ASP B 63 58.324 4.054 1.608 1.00 0.00 O ATOM 2649 OD2 ASP B 63 57.790 2.000 1.239 1.00 0.00 O ATOM 0 H ASP B 63 61.060 2.303 3.059 1.00 0.00 H new ATOM 0 HA ASP B 63 59.232 4.544 3.703 1.00 0.00 H new ATOM 0 HB2 ASP B 63 58.927 1.529 3.469 1.00 0.00 H new ATOM 0 HB3 ASP B 63 57.641 2.577 4.033 1.00 0.00 H new ATOM 2654 N SER B 64 60.974 3.169 5.892 1.00 0.00 N ATOM 2655 CA SER B 64 61.229 2.993 7.351 1.00 0.00 C ATOM 2656 C SER B 64 60.750 4.240 8.086 1.00 0.00 C ATOM 2657 O SER B 64 60.985 5.341 7.632 1.00 0.00 O ATOM 2658 CB SER B 64 62.728 2.844 7.624 1.00 0.00 C ATOM 2659 OG SER B 64 62.934 2.731 9.026 1.00 0.00 O ATOM 0 H SER B 64 61.803 3.122 5.299 1.00 0.00 H new ATOM 0 HA SER B 64 60.703 2.100 7.689 1.00 0.00 H new ATOM 0 HB2 SER B 64 63.118 1.963 7.114 1.00 0.00 H new ATOM 0 HB3 SER B 64 63.269 3.705 7.232 1.00 0.00 H new ATOM 0 HG SER B 64 63.892 2.634 9.209 1.00 0.00 H new ATOM 2665 N ASN B 65 60.100 4.070 9.219 1.00 0.00 N ATOM 2666 CA ASN B 65 59.591 5.232 10.038 1.00 0.00 C ATOM 2667 C ASN B 65 59.534 6.528 9.213 1.00 0.00 C ATOM 2668 O ASN B 65 59.006 6.554 8.119 1.00 0.00 O ATOM 2669 CB ASN B 65 60.526 5.447 11.232 1.00 0.00 C ATOM 2670 CG ASN B 65 60.619 4.160 12.057 1.00 0.00 C ATOM 2671 OD1 ASN B 65 59.636 3.303 12.026 1.00 0.00 O flip ATOM 2672 ND2 ASN B 65 61.600 3.934 12.737 1.00 0.00 N flip ATOM 0 H ASN B 65 59.895 3.155 9.621 1.00 0.00 H new ATOM 0 HA ASN B 65 58.580 4.995 10.370 1.00 0.00 H new ATOM 0 HB2 ASN B 65 61.517 5.738 10.882 1.00 0.00 H new ATOM 0 HB3 ASN B 65 60.155 6.262 11.854 1.00 0.00 H new ATOM 0 HD21 ASN B 65 62.369 4.604 12.762 1.00 0.00 H new ATOM 0 HD22 ASN B 65 61.655 3.074 13.283 1.00 0.00 H new ATOM 2679 N ARG B 66 60.087 7.598 9.733 1.00 0.00 N ATOM 2680 CA ARG B 66 60.091 8.902 8.997 1.00 0.00 C ATOM 2681 C ARG B 66 61.514 9.223 8.522 1.00 0.00 C ATOM 2682 O ARG B 66 61.771 10.280 7.980 1.00 0.00 O ATOM 2683 CB ARG B 66 59.603 10.008 9.935 1.00 0.00 C ATOM 2684 CG ARG B 66 60.471 10.032 11.194 1.00 0.00 C ATOM 2685 CD ARG B 66 59.963 11.121 12.140 1.00 0.00 C ATOM 2686 NE ARG B 66 60.077 12.451 11.481 1.00 0.00 N ATOM 2687 CZ ARG B 66 59.409 13.469 11.952 1.00 0.00 C ATOM 2688 NH1 ARG B 66 58.622 13.313 12.979 1.00 0.00 N ATOM 2689 NH2 ARG B 66 59.526 14.642 11.392 1.00 0.00 N ATOM 0 H ARG B 66 60.541 7.623 10.646 1.00 0.00 H new ATOM 0 HA ARG B 66 59.431 8.835 8.132 1.00 0.00 H new ATOM 0 HB2 ARG B 66 59.649 10.973 9.431 1.00 0.00 H new ATOM 0 HB3 ARG B 66 58.560 9.838 10.203 1.00 0.00 H new ATOM 0 HG2 ARG B 66 60.440 9.061 11.689 1.00 0.00 H new ATOM 0 HG3 ARG B 66 61.511 10.221 10.929 1.00 0.00 H new ATOM 0 HD2 ARG B 66 58.925 10.926 12.411 1.00 0.00 H new ATOM 0 HD3 ARG B 66 60.541 11.112 13.064 1.00 0.00 H new ATOM 0 HE ARG B 66 60.676 12.567 10.663 1.00 0.00 H new ATOM 0 HH11 ARG B 66 58.528 12.396 13.415 1.00 0.00 H new ATOM 0 HH12 ARG B 66 58.100 14.108 13.347 1.00 0.00 H new ATOM 0 HH21 ARG B 66 60.139 14.764 10.586 1.00 0.00 H new ATOM 0 HH22 ARG B 66 59.004 15.437 11.760 1.00 0.00 H new ATOM 2703 N ASP B 67 62.444 8.326 8.725 1.00 0.00 N ATOM 2704 CA ASP B 67 63.848 8.593 8.288 1.00 0.00 C ATOM 2705 C ASP B 67 63.977 8.340 6.783 1.00 0.00 C ATOM 2706 O ASP B 67 63.481 7.360 6.265 1.00 0.00 O ATOM 2707 CB ASP B 67 64.801 7.669 9.049 1.00 0.00 C ATOM 2708 CG ASP B 67 64.412 6.209 8.800 1.00 0.00 C ATOM 2709 OD1 ASP B 67 63.312 5.982 8.326 1.00 0.00 O ATOM 2710 OD2 ASP B 67 65.220 5.344 9.094 1.00 0.00 O ATOM 0 H ASP B 67 62.293 7.422 9.173 1.00 0.00 H new ATOM 0 HA ASP B 67 64.103 9.632 8.499 1.00 0.00 H new ATOM 0 HB2 ASP B 67 65.827 7.842 8.725 1.00 0.00 H new ATOM 0 HB3 ASP B 67 64.762 7.889 10.116 1.00 0.00 H new ATOM 2715 N ASN B 68 64.636 9.223 6.073 1.00 0.00 N ATOM 2716 CA ASN B 68 64.788 9.033 4.599 1.00 0.00 C ATOM 2717 C ASN B 68 66.035 9.768 4.092 1.00 0.00 C ATOM 2718 O ASN B 68 65.948 10.546 3.170 1.00 0.00 O ATOM 2719 CB ASN B 68 63.556 9.601 3.890 1.00 0.00 C ATOM 2720 CG ASN B 68 62.298 8.886 4.387 1.00 0.00 C ATOM 2721 OD1 ASN B 68 62.157 7.608 4.167 1.00 0.00 O flip ATOM 2722 ND2 ASN B 68 61.431 9.499 4.979 1.00 0.00 N flip ATOM 0 H ASN B 68 65.073 10.064 6.450 1.00 0.00 H new ATOM 0 HA ASN B 68 64.890 7.968 4.389 1.00 0.00 H new ATOM 0 HB2 ASN B 68 63.476 10.671 4.080 1.00 0.00 H new ATOM 0 HB3 ASN B 68 63.655 9.475 2.812 1.00 0.00 H new ATOM 0 HD21 ASN B 68 61.540 10.498 5.152 1.00 0.00 H new ATOM 0 HD22 ASN B 68 60.594 9.014 5.303 1.00 0.00 H new ATOM 2729 N GLU B 69 67.188 9.539 4.685 1.00 0.00 N ATOM 2730 CA GLU B 69 68.442 10.239 4.223 1.00 0.00 C ATOM 2731 C GLU B 69 69.541 9.222 3.900 1.00 0.00 C ATOM 2732 O GLU B 69 69.681 8.209 4.557 1.00 0.00 O ATOM 2733 CB GLU B 69 68.950 11.166 5.326 1.00 0.00 C ATOM 2734 CG GLU B 69 70.131 11.988 4.809 1.00 0.00 C ATOM 2735 CD GLU B 69 70.633 12.912 5.921 1.00 0.00 C ATOM 2736 OE1 GLU B 69 69.957 13.011 6.932 1.00 0.00 O ATOM 2737 OE2 GLU B 69 71.685 13.504 5.742 1.00 0.00 O ATOM 0 H GLU B 69 67.317 8.899 5.468 1.00 0.00 H new ATOM 0 HA GLU B 69 68.202 10.811 3.326 1.00 0.00 H new ATOM 0 HB2 GLU B 69 68.149 11.829 5.654 1.00 0.00 H new ATOM 0 HB3 GLU B 69 69.255 10.581 6.194 1.00 0.00 H new ATOM 0 HG2 GLU B 69 70.933 11.326 4.481 1.00 0.00 H new ATOM 0 HG3 GLU B 69 69.828 12.575 3.942 1.00 0.00 H new ATOM 2744 N VAL B 70 70.341 9.509 2.903 1.00 0.00 N ATOM 2745 CA VAL B 70 71.472 8.594 2.529 1.00 0.00 C ATOM 2746 C VAL B 70 72.771 9.380 2.586 1.00 0.00 C ATOM 2747 O VAL B 70 73.081 10.158 1.705 1.00 0.00 O ATOM 2748 CB VAL B 70 71.268 8.078 1.098 1.00 0.00 C ATOM 2749 CG1 VAL B 70 71.963 6.731 0.918 1.00 0.00 C ATOM 2750 CG2 VAL B 70 69.780 7.914 0.832 1.00 0.00 C ATOM 0 H VAL B 70 70.261 10.345 2.325 1.00 0.00 H new ATOM 0 HA VAL B 70 71.505 7.750 3.218 1.00 0.00 H new ATOM 0 HB VAL B 70 71.696 8.795 0.397 1.00 0.00 H new ATOM 0 HG11 VAL B 70 71.810 6.376 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL B 70 73.031 6.844 1.107 1.00 0.00 H new ATOM 0 HG13 VAL B 70 71.545 6.009 1.620 1.00 0.00 H new ATOM 0 HG21 VAL B 70 69.630 7.548 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL B 70 69.360 7.200 1.541 1.00 0.00 H new ATOM 0 HG23 VAL B 70 69.281 8.876 0.948 1.00 0.00 H new ATOM 2760 N ASP B 71 73.554 9.148 3.584 1.00 0.00 N ATOM 2761 CA ASP B 71 74.858 9.843 3.661 1.00 0.00 C ATOM 2762 C ASP B 71 75.780 9.077 2.730 1.00 0.00 C ATOM 2763 O ASP B 71 75.436 8.006 2.270 1.00 0.00 O ATOM 2764 CB ASP B 71 75.401 9.795 5.093 1.00 0.00 C ATOM 2765 CG ASP B 71 76.597 10.743 5.223 1.00 0.00 C ATOM 2766 OD1 ASP B 71 77.068 11.215 4.203 1.00 0.00 O ATOM 2767 OD2 ASP B 71 77.022 10.977 6.343 1.00 0.00 O ATOM 0 H ASP B 71 73.352 8.508 4.352 1.00 0.00 H new ATOM 0 HA ASP B 71 74.774 10.893 3.380 1.00 0.00 H new ATOM 0 HB2 ASP B 71 74.620 10.080 5.798 1.00 0.00 H new ATOM 0 HB3 ASP B 71 75.702 8.778 5.344 1.00 0.00 H new ATOM 2772 N PHE B 72 76.941 9.570 2.441 1.00 0.00 N ATOM 2773 CA PHE B 72 77.823 8.801 1.544 1.00 0.00 C ATOM 2774 C PHE B 72 78.034 7.438 2.201 1.00 0.00 C ATOM 2775 O PHE B 72 78.043 6.408 1.556 1.00 0.00 O ATOM 2776 CB PHE B 72 79.151 9.536 1.382 1.00 0.00 C ATOM 2777 CG PHE B 72 80.033 8.749 0.458 1.00 0.00 C ATOM 2778 CD1 PHE B 72 79.951 8.960 -0.920 1.00 0.00 C ATOM 2779 CD2 PHE B 72 80.918 7.799 0.972 1.00 0.00 C ATOM 2780 CE1 PHE B 72 80.755 8.225 -1.788 1.00 0.00 C ATOM 2781 CE2 PHE B 72 81.726 7.061 0.104 1.00 0.00 C ATOM 2782 CZ PHE B 72 81.646 7.272 -1.278 1.00 0.00 C ATOM 0 H PHE B 72 77.312 10.457 2.781 1.00 0.00 H new ATOM 0 HA PHE B 72 77.387 8.683 0.552 1.00 0.00 H new ATOM 0 HB2 PHE B 72 78.982 10.536 0.981 1.00 0.00 H new ATOM 0 HB3 PHE B 72 79.635 9.659 2.351 1.00 0.00 H new ATOM 0 HD1 PHE B 72 79.263 9.694 -1.313 1.00 0.00 H new ATOM 0 HD2 PHE B 72 80.978 7.635 2.038 1.00 0.00 H new ATOM 0 HE1 PHE B 72 80.691 8.390 -2.853 1.00 0.00 H new ATOM 0 HE2 PHE B 72 82.413 6.327 0.499 1.00 0.00 H new ATOM 0 HZ PHE B 72 82.270 6.701 -1.949 1.00 0.00 H new ATOM 2792 N GLN B 73 78.180 7.441 3.495 1.00 0.00 N ATOM 2793 CA GLN B 73 78.365 6.173 4.244 1.00 0.00 C ATOM 2794 C GLN B 73 77.121 5.275 4.101 1.00 0.00 C ATOM 2795 O GLN B 73 77.242 4.074 3.963 1.00 0.00 O ATOM 2796 CB GLN B 73 78.599 6.504 5.722 1.00 0.00 C ATOM 2797 CG GLN B 73 78.807 5.218 6.525 1.00 0.00 C ATOM 2798 CD GLN B 73 79.081 5.575 7.987 1.00 0.00 C ATOM 2799 OE1 GLN B 73 79.276 6.729 8.315 1.00 0.00 O ATOM 2800 NE2 GLN B 73 79.121 4.626 8.882 1.00 0.00 N ATOM 0 H GLN B 73 78.179 8.282 4.072 1.00 0.00 H new ATOM 0 HA GLN B 73 79.223 5.636 3.840 1.00 0.00 H new ATOM 0 HB2 GLN B 73 79.471 7.150 5.824 1.00 0.00 H new ATOM 0 HB3 GLN B 73 77.746 7.055 6.118 1.00 0.00 H new ATOM 0 HG2 GLN B 73 77.924 4.583 6.453 1.00 0.00 H new ATOM 0 HG3 GLN B 73 79.642 4.650 6.114 1.00 0.00 H new ATOM 0 HE21 GLN B 73 78.957 3.658 8.606 1.00 0.00 H new ATOM 0 HE22 GLN B 73 79.316 4.853 9.857 1.00 0.00 H new ATOM 2809 N GLU B 74 75.923 5.824 4.138 1.00 0.00 N ATOM 2810 CA GLU B 74 74.719 4.960 4.009 1.00 0.00 C ATOM 2811 C GLU B 74 74.649 4.391 2.602 1.00 0.00 C ATOM 2812 O GLU B 74 74.260 3.259 2.400 1.00 0.00 O ATOM 2813 CB GLU B 74 73.469 5.782 4.305 1.00 0.00 C ATOM 2814 CG GLU B 74 73.422 6.127 5.795 1.00 0.00 C ATOM 2815 CD GLU B 74 73.139 4.858 6.602 1.00 0.00 C ATOM 2816 OE1 GLU B 74 72.446 3.995 6.087 1.00 0.00 O ATOM 2817 OE2 GLU B 74 73.615 4.772 7.721 1.00 0.00 O ATOM 0 H GLU B 74 75.738 6.821 4.251 1.00 0.00 H new ATOM 0 HA GLU B 74 74.781 4.137 4.721 1.00 0.00 H new ATOM 0 HB2 GLU B 74 73.473 6.695 3.710 1.00 0.00 H new ATOM 0 HB3 GLU B 74 72.578 5.221 4.023 1.00 0.00 H new ATOM 0 HG2 GLU B 74 74.369 6.566 6.108 1.00 0.00 H new ATOM 0 HG3 GLU B 74 72.648 6.871 5.983 1.00 0.00 H new ATOM 2824 N TYR B 75 75.029 5.159 1.625 1.00 0.00 N ATOM 2825 CA TYR B 75 74.979 4.642 0.239 1.00 0.00 C ATOM 2826 C TYR B 75 75.877 3.401 0.160 1.00 0.00 C ATOM 2827 O TYR B 75 75.540 2.411 -0.458 1.00 0.00 O ATOM 2828 CB TYR B 75 75.485 5.722 -0.724 1.00 0.00 C ATOM 2829 CG TYR B 75 75.496 5.181 -2.136 1.00 0.00 C ATOM 2830 CD1 TYR B 75 74.296 4.800 -2.748 1.00 0.00 C ATOM 2831 CD2 TYR B 75 76.706 5.060 -2.834 1.00 0.00 C ATOM 2832 CE1 TYR B 75 74.305 4.300 -4.055 1.00 0.00 C ATOM 2833 CE2 TYR B 75 76.714 4.559 -4.141 1.00 0.00 C ATOM 2834 CZ TYR B 75 75.514 4.179 -4.752 1.00 0.00 C ATOM 2835 OH TYR B 75 75.522 3.684 -6.040 1.00 0.00 O ATOM 0 H TYR B 75 75.369 6.115 1.726 1.00 0.00 H new ATOM 0 HA TYR B 75 73.958 4.379 -0.037 1.00 0.00 H new ATOM 0 HB2 TYR B 75 74.845 6.603 -0.667 1.00 0.00 H new ATOM 0 HB3 TYR B 75 76.488 6.038 -0.437 1.00 0.00 H new ATOM 0 HD1 TYR B 75 73.363 4.892 -2.211 1.00 0.00 H new ATOM 0 HD2 TYR B 75 77.632 5.354 -2.363 1.00 0.00 H new ATOM 0 HE1 TYR B 75 73.379 4.007 -4.527 1.00 0.00 H new ATOM 0 HE2 TYR B 75 77.646 4.466 -4.678 1.00 0.00 H new ATOM 0 HH TYR B 75 76.442 3.667 -6.378 1.00 0.00 H new ATOM 2845 N CYS B 76 77.009 3.449 0.811 1.00 0.00 N ATOM 2846 CA CYS B 76 77.940 2.286 0.826 1.00 0.00 C ATOM 2847 C CYS B 76 77.296 1.155 1.617 1.00 0.00 C ATOM 2848 O CYS B 76 77.370 0.004 1.240 1.00 0.00 O ATOM 2849 CB CYS B 76 79.254 2.692 1.498 1.00 0.00 C ATOM 2850 SG CYS B 76 79.880 4.206 0.730 1.00 0.00 S ATOM 0 H CYS B 76 77.332 4.259 1.341 1.00 0.00 H new ATOM 0 HA CYS B 76 78.144 1.960 -0.194 1.00 0.00 H new ATOM 0 HB2 CYS B 76 79.096 2.851 2.565 1.00 0.00 H new ATOM 0 HB3 CYS B 76 79.987 1.892 1.400 1.00 0.00 H new ATOM 0 HG CYS B 76 79.057 5.185 0.966 1.00 0.00 H new ATOM 2856 N VAL B 77 76.639 1.468 2.706 1.00 0.00 N ATOM 2857 CA VAL B 77 75.981 0.387 3.477 1.00 0.00 C ATOM 2858 C VAL B 77 74.975 -0.270 2.545 1.00 0.00 C ATOM 2859 O VAL B 77 74.841 -1.477 2.504 1.00 0.00 O ATOM 2860 CB VAL B 77 75.272 0.982 4.696 1.00 0.00 C ATOM 2861 CG1 VAL B 77 74.390 -0.083 5.353 1.00 0.00 C ATOM 2862 CG2 VAL B 77 76.322 1.469 5.703 1.00 0.00 C ATOM 0 H VAL B 77 76.534 2.410 3.084 1.00 0.00 H new ATOM 0 HA VAL B 77 76.706 -0.344 3.836 1.00 0.00 H new ATOM 0 HB VAL B 77 74.649 1.819 4.381 1.00 0.00 H new ATOM 0 HG11 VAL B 77 73.887 0.345 6.220 1.00 0.00 H new ATOM 0 HG12 VAL B 77 73.645 -0.431 4.637 1.00 0.00 H new ATOM 0 HG13 VAL B 77 75.009 -0.923 5.670 1.00 0.00 H new ATOM 0 HG21 VAL B 77 75.822 1.894 6.573 1.00 0.00 H new ATOM 0 HG22 VAL B 77 76.943 0.630 6.015 1.00 0.00 H new ATOM 0 HG23 VAL B 77 76.948 2.230 5.237 1.00 0.00 H new ATOM 2872 N PHE B 78 74.294 0.521 1.761 1.00 0.00 N ATOM 2873 CA PHE B 78 73.331 -0.056 0.793 1.00 0.00 C ATOM 2874 C PHE B 78 74.104 -0.865 -0.251 1.00 0.00 C ATOM 2875 O PHE B 78 73.686 -1.936 -0.640 1.00 0.00 O ATOM 2876 CB PHE B 78 72.540 1.066 0.106 1.00 0.00 C ATOM 2877 CG PHE B 78 71.424 1.539 1.015 1.00 0.00 C ATOM 2878 CD1 PHE B 78 70.380 0.665 1.344 1.00 0.00 C ATOM 2879 CD2 PHE B 78 71.428 2.844 1.526 1.00 0.00 C ATOM 2880 CE1 PHE B 78 69.344 1.093 2.181 1.00 0.00 C ATOM 2881 CE2 PHE B 78 70.391 3.272 2.364 1.00 0.00 C ATOM 2882 CZ PHE B 78 69.350 2.396 2.691 1.00 0.00 C ATOM 0 H PHE B 78 74.366 1.538 1.752 1.00 0.00 H new ATOM 0 HA PHE B 78 72.629 -0.705 1.316 1.00 0.00 H new ATOM 0 HB2 PHE B 78 73.203 1.897 -0.133 1.00 0.00 H new ATOM 0 HB3 PHE B 78 72.126 0.707 -0.836 1.00 0.00 H new ATOM 0 HD1 PHE B 78 70.375 -0.341 0.951 1.00 0.00 H new ATOM 0 HD2 PHE B 78 72.231 3.520 1.273 1.00 0.00 H new ATOM 0 HE1 PHE B 78 68.540 0.418 2.433 1.00 0.00 H new ATOM 0 HE2 PHE B 78 70.395 4.278 2.758 1.00 0.00 H new ATOM 0 HZ PHE B 78 68.550 2.726 3.338 1.00 0.00 H new ATOM 2892 N LEU B 79 75.239 -0.382 -0.704 1.00 0.00 N ATOM 2893 CA LEU B 79 76.003 -1.183 -1.713 1.00 0.00 C ATOM 2894 C LEU B 79 76.574 -2.425 -1.036 1.00 0.00 C ATOM 2895 O LEU B 79 76.582 -3.506 -1.590 1.00 0.00 O ATOM 2896 CB LEU B 79 77.168 -0.372 -2.288 1.00 0.00 C ATOM 2897 CG LEU B 79 76.665 0.764 -3.189 1.00 0.00 C ATOM 2898 CD1 LEU B 79 77.876 1.583 -3.675 1.00 0.00 C ATOM 2899 CD2 LEU B 79 75.897 0.189 -4.403 1.00 0.00 C ATOM 0 H LEU B 79 75.659 0.506 -0.428 1.00 0.00 H new ATOM 0 HA LEU B 79 75.323 -1.455 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU B 79 77.762 0.043 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU B 79 77.824 -1.029 -2.859 1.00 0.00 H new ATOM 0 HG LEU B 79 75.985 1.403 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU B 79 77.533 2.394 -4.317 1.00 0.00 H new ATOM 0 HD12 LEU B 79 78.403 1.998 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU B 79 78.551 0.937 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU B 79 75.547 1.007 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU B 79 76.560 -0.455 -4.981 1.00 0.00 H new ATOM 0 HD23 LEU B 79 75.043 -0.390 -4.052 1.00 0.00 H new ATOM 2911 N SER B 80 77.047 -2.268 0.164 1.00 0.00 N ATOM 2912 CA SER B 80 77.620 -3.426 0.900 1.00 0.00 C ATOM 2913 C SER B 80 76.518 -4.454 1.087 1.00 0.00 C ATOM 2914 O SER B 80 76.719 -5.643 0.939 1.00 0.00 O ATOM 2915 CB SER B 80 78.138 -2.966 2.264 1.00 0.00 C ATOM 2916 OG SER B 80 79.290 -2.154 2.077 1.00 0.00 O ATOM 0 H SER B 80 77.062 -1.383 0.671 1.00 0.00 H new ATOM 0 HA SER B 80 78.450 -3.859 0.341 1.00 0.00 H new ATOM 0 HB2 SER B 80 77.365 -2.406 2.790 1.00 0.00 H new ATOM 0 HB3 SER B 80 78.383 -3.829 2.883 1.00 0.00 H new ATOM 0 HG SER B 80 80.059 -2.722 1.863 1.00 0.00 H new ATOM 2922 N CYS B 81 75.339 -3.990 1.381 1.00 0.00 N ATOM 2923 CA CYS B 81 74.200 -4.917 1.542 1.00 0.00 C ATOM 2924 C CYS B 81 73.968 -5.588 0.201 1.00 0.00 C ATOM 2925 O CYS B 81 73.654 -6.755 0.124 1.00 0.00 O ATOM 2926 CB CYS B 81 72.946 -4.141 1.953 1.00 0.00 C ATOM 2927 SG CYS B 81 71.674 -5.305 2.503 1.00 0.00 S ATOM 0 H CYS B 81 75.119 -3.003 1.516 1.00 0.00 H new ATOM 0 HA CYS B 81 74.414 -5.655 2.315 1.00 0.00 H new ATOM 0 HB2 CYS B 81 73.184 -3.440 2.753 1.00 0.00 H new ATOM 0 HB3 CYS B 81 72.577 -3.552 1.113 1.00 0.00 H new ATOM 0 HG CYS B 81 71.841 -6.446 1.902 1.00 0.00 H new ATOM 2933 N ILE B 82 74.139 -4.857 -0.864 1.00 0.00 N ATOM 2934 CA ILE B 82 73.937 -5.472 -2.208 1.00 0.00 C ATOM 2935 C ILE B 82 75.046 -6.491 -2.461 1.00 0.00 C ATOM 2936 O ILE B 82 74.817 -7.552 -3.005 1.00 0.00 O ATOM 2937 CB ILE B 82 73.950 -4.389 -3.297 1.00 0.00 C ATOM 2938 CG1 ILE B 82 72.663 -3.556 -3.199 1.00 0.00 C ATOM 2939 CG2 ILE B 82 74.035 -5.041 -4.684 1.00 0.00 C ATOM 2940 CD1 ILE B 82 72.767 -2.310 -4.092 1.00 0.00 C ATOM 0 H ILE B 82 74.406 -3.873 -0.865 1.00 0.00 H new ATOM 0 HA ILE B 82 72.969 -5.973 -2.237 1.00 0.00 H new ATOM 0 HB ILE B 82 74.817 -3.745 -3.154 1.00 0.00 H new ATOM 0 HG12 ILE B 82 71.807 -4.159 -3.502 1.00 0.00 H new ATOM 0 HG13 ILE B 82 72.492 -3.258 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE B 82 74.044 -4.266 -5.450 1.00 0.00 H new ATOM 0 HG22 ILE B 82 74.949 -5.630 -4.754 1.00 0.00 H new ATOM 0 HG23 ILE B 82 73.172 -5.690 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE B 82 71.849 -1.728 -4.013 1.00 0.00 H new ATOM 0 HD12 ILE B 82 73.611 -1.701 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE B 82 72.915 -2.616 -5.128 1.00 0.00 H new ATOM 2952 N ALA B 83 76.248 -6.173 -2.074 1.00 0.00 N ATOM 2953 CA ALA B 83 77.373 -7.119 -2.294 1.00 0.00 C ATOM 2954 C ALA B 83 77.123 -8.426 -1.538 1.00 0.00 C ATOM 2955 O ALA B 83 77.266 -9.497 -2.081 1.00 0.00 O ATOM 2956 CB ALA B 83 78.669 -6.482 -1.802 1.00 0.00 C ATOM 0 H ALA B 83 76.500 -5.298 -1.614 1.00 0.00 H new ATOM 0 HA ALA B 83 77.451 -7.340 -3.359 1.00 0.00 H new ATOM 0 HB1 ALA B 83 79.497 -7.173 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA B 83 78.854 -5.560 -2.354 1.00 0.00 H new ATOM 0 HB3 ALA B 83 78.583 -6.257 -0.739 1.00 0.00 H new ATOM 2962 N MET B 84 76.749 -8.358 -0.290 1.00 0.00 N ATOM 2963 CA MET B 84 76.500 -9.624 0.464 1.00 0.00 C ATOM 2964 C MET B 84 75.388 -10.407 -0.213 1.00 0.00 C ATOM 2965 O MET B 84 75.438 -11.617 -0.303 1.00 0.00 O ATOM 2966 CB MET B 84 76.139 -9.321 1.917 1.00 0.00 C ATOM 2967 CG MET B 84 77.393 -8.849 2.657 1.00 0.00 C ATOM 2968 SD MET B 84 76.980 -8.485 4.380 1.00 0.00 S ATOM 2969 CE MET B 84 75.979 -7.011 4.071 1.00 0.00 C ATOM 0 H MET B 84 76.606 -7.496 0.236 1.00 0.00 H new ATOM 0 HA MET B 84 77.409 -10.225 0.463 1.00 0.00 H new ATOM 0 HB2 MET B 84 75.366 -8.554 1.960 1.00 0.00 H new ATOM 0 HB3 MET B 84 75.732 -10.211 2.397 1.00 0.00 H new ATOM 0 HG2 MET B 84 78.165 -9.617 2.612 1.00 0.00 H new ATOM 0 HG3 MET B 84 77.799 -7.960 2.174 1.00 0.00 H new ATOM 0 HE1 MET B 84 75.941 -6.401 4.974 1.00 0.00 H new ATOM 0 HE2 MET B 84 76.423 -6.433 3.261 1.00 0.00 H new ATOM 0 HE3 MET B 84 74.968 -7.309 3.792 1.00 0.00 H new ATOM 2979 N MET B 85 74.395 -9.739 -0.716 1.00 0.00 N ATOM 2980 CA MET B 85 73.315 -10.476 -1.407 1.00 0.00 C ATOM 2981 C MET B 85 73.952 -11.229 -2.567 1.00 0.00 C ATOM 2982 O MET B 85 73.518 -12.302 -2.935 1.00 0.00 O ATOM 2983 CB MET B 85 72.260 -9.503 -1.935 1.00 0.00 C ATOM 2984 CG MET B 85 71.451 -8.941 -0.764 1.00 0.00 C ATOM 2985 SD MET B 85 70.231 -7.759 -1.389 1.00 0.00 S ATOM 2986 CE MET B 85 69.587 -7.221 0.215 1.00 0.00 C ATOM 0 H MET B 85 74.286 -8.726 -0.679 1.00 0.00 H new ATOM 0 HA MET B 85 72.822 -11.164 -0.720 1.00 0.00 H new ATOM 0 HB2 MET B 85 72.740 -8.691 -2.482 1.00 0.00 H new ATOM 0 HB3 MET B 85 71.599 -10.012 -2.636 1.00 0.00 H new ATOM 0 HG2 MET B 85 70.951 -9.750 -0.232 1.00 0.00 H new ATOM 0 HG3 MET B 85 72.115 -8.453 -0.050 1.00 0.00 H new ATOM 0 HE1 MET B 85 68.501 -7.139 0.162 1.00 0.00 H new ATOM 0 HE2 MET B 85 69.859 -7.949 0.979 1.00 0.00 H new ATOM 0 HE3 MET B 85 70.012 -6.251 0.471 1.00 0.00 H new ATOM 2996 N CYS B 86 75.002 -10.691 -3.136 1.00 0.00 N ATOM 2997 CA CYS B 86 75.668 -11.413 -4.251 1.00 0.00 C ATOM 2998 C CYS B 86 77.042 -10.807 -4.522 1.00 0.00 C ATOM 2999 O CYS B 86 77.248 -10.099 -5.489 1.00 0.00 O ATOM 3000 CB CYS B 86 74.801 -11.344 -5.512 1.00 0.00 C ATOM 3001 SG CYS B 86 75.286 -12.667 -6.649 1.00 0.00 S ATOM 0 H CYS B 86 75.418 -9.796 -2.878 1.00 0.00 H new ATOM 0 HA CYS B 86 75.796 -12.458 -3.969 1.00 0.00 H new ATOM 0 HB2 CYS B 86 73.748 -11.444 -5.249 1.00 0.00 H new ATOM 0 HB3 CYS B 86 74.918 -10.374 -5.995 1.00 0.00 H new ATOM 0 HG CYS B 86 74.550 -12.611 -7.719 1.00 0.00 H new ATOM 3007 N ASN B 87 77.985 -11.087 -3.672 1.00 0.00 N ATOM 3008 CA ASN B 87 79.353 -10.538 -3.866 1.00 0.00 C ATOM 3009 C ASN B 87 79.903 -11.028 -5.206 1.00 0.00 C ATOM 3010 O ASN B 87 80.491 -10.277 -5.958 1.00 0.00 O ATOM 3011 CB ASN B 87 80.257 -11.044 -2.740 1.00 0.00 C ATOM 3012 CG ASN B 87 79.837 -10.403 -1.416 1.00 0.00 C ATOM 3013 OD1 ASN B 87 79.980 -9.117 -1.253 1.00 0.00 O flip ATOM 3014 ND2 ASN B 87 79.376 -11.081 -0.521 1.00 0.00 N flip ATOM 0 H ASN B 87 77.868 -11.675 -2.847 1.00 0.00 H new ATOM 0 HA ASN B 87 79.321 -9.449 -3.855 1.00 0.00 H new ATOM 0 HB2 ASN B 87 80.191 -12.130 -2.667 1.00 0.00 H new ATOM 0 HB3 ASN B 87 81.297 -10.802 -2.959 1.00 0.00 H new ATOM 0 HD21 ASN B 87 79.264 -12.087 -0.649 1.00 0.00 H new ATOM 0 HD22 ASN B 87 79.100 -10.645 0.359 1.00 0.00 H new ATOM 3021 N GLU B 88 79.703 -12.282 -5.515 1.00 0.00 N ATOM 3022 CA GLU B 88 80.205 -12.822 -6.810 1.00 0.00 C ATOM 3023 C GLU B 88 79.678 -14.249 -7.000 1.00 0.00 C ATOM 3024 O GLU B 88 78.743 -14.481 -7.741 1.00 0.00 O ATOM 3025 CB GLU B 88 81.739 -12.842 -6.798 1.00 0.00 C ATOM 3026 CG GLU B 88 82.269 -13.266 -8.173 1.00 0.00 C ATOM 3027 CD GLU B 88 81.893 -12.213 -9.218 1.00 0.00 C ATOM 3028 OE1 GLU B 88 81.563 -11.106 -8.824 1.00 0.00 O ATOM 3029 OE2 GLU B 88 81.940 -12.531 -10.395 1.00 0.00 O ATOM 0 H GLU B 88 79.213 -12.955 -4.925 1.00 0.00 H new ATOM 0 HA GLU B 88 79.858 -12.190 -7.628 1.00 0.00 H new ATOM 0 HB2 GLU B 88 82.122 -11.854 -6.540 1.00 0.00 H new ATOM 0 HB3 GLU B 88 82.096 -13.532 -6.033 1.00 0.00 H new ATOM 0 HG2 GLU B 88 83.352 -13.384 -8.135 1.00 0.00 H new ATOM 0 HG3 GLU B 88 81.852 -14.234 -8.452 1.00 0.00 H new ATOM 3036 N PHE B 89 80.270 -15.206 -6.336 1.00 0.00 N ATOM 3037 CA PHE B 89 79.803 -16.614 -6.478 1.00 0.00 C ATOM 3038 C PHE B 89 78.499 -16.807 -5.703 1.00 0.00 C ATOM 3039 O PHE B 89 78.294 -16.225 -4.657 1.00 0.00 O ATOM 3040 CB PHE B 89 80.861 -17.571 -5.925 1.00 0.00 C ATOM 3041 CG PHE B 89 82.104 -17.502 -6.778 1.00 0.00 C ATOM 3042 CD1 PHE B 89 82.196 -18.273 -7.944 1.00 0.00 C ATOM 3043 CD2 PHE B 89 83.164 -16.669 -6.404 1.00 0.00 C ATOM 3044 CE1 PHE B 89 83.348 -18.209 -8.735 1.00 0.00 C ATOM 3045 CE2 PHE B 89 84.317 -16.605 -7.196 1.00 0.00 C ATOM 3046 CZ PHE B 89 84.409 -17.376 -8.361 1.00 0.00 C ATOM 0 H PHE B 89 81.057 -15.072 -5.701 1.00 0.00 H new ATOM 0 HA PHE B 89 79.636 -16.826 -7.534 1.00 0.00 H new ATOM 0 HB2 PHE B 89 81.100 -17.308 -4.895 1.00 0.00 H new ATOM 0 HB3 PHE B 89 80.473 -18.590 -5.912 1.00 0.00 H new ATOM 0 HD1 PHE B 89 81.378 -18.917 -8.232 1.00 0.00 H new ATOM 0 HD2 PHE B 89 83.093 -16.075 -5.505 1.00 0.00 H new ATOM 0 HE1 PHE B 89 83.419 -18.802 -9.635 1.00 0.00 H new ATOM 0 HE2 PHE B 89 85.135 -15.961 -6.908 1.00 0.00 H new ATOM 0 HZ PHE B 89 85.299 -17.328 -8.971 1.00 0.00 H new ATOM 3056 N PHE B 90 77.619 -17.628 -6.208 1.00 0.00 N ATOM 3057 CA PHE B 90 76.328 -17.873 -5.502 1.00 0.00 C ATOM 3058 C PHE B 90 76.528 -18.959 -4.438 1.00 0.00 C ATOM 3059 O PHE B 90 75.641 -19.254 -3.664 1.00 0.00 O ATOM 3060 CB PHE B 90 75.268 -18.324 -6.516 1.00 0.00 C ATOM 3061 CG PHE B 90 75.605 -19.698 -7.045 1.00 0.00 C ATOM 3062 CD1 PHE B 90 76.405 -19.835 -8.185 1.00 0.00 C ATOM 3063 CD2 PHE B 90 75.112 -20.836 -6.394 1.00 0.00 C ATOM 3064 CE1 PHE B 90 76.713 -21.109 -8.676 1.00 0.00 C ATOM 3065 CE2 PHE B 90 75.420 -22.110 -6.885 1.00 0.00 C ATOM 3066 CZ PHE B 90 76.220 -22.247 -8.025 1.00 0.00 C ATOM 0 H PHE B 90 77.738 -18.141 -7.081 1.00 0.00 H new ATOM 0 HA PHE B 90 75.993 -16.955 -5.020 1.00 0.00 H new ATOM 0 HB2 PHE B 90 74.286 -18.339 -6.044 1.00 0.00 H new ATOM 0 HB3 PHE B 90 75.215 -17.612 -7.340 1.00 0.00 H new ATOM 0 HD1 PHE B 90 76.785 -18.957 -8.686 1.00 0.00 H new ATOM 0 HD2 PHE B 90 74.495 -20.731 -5.514 1.00 0.00 H new ATOM 0 HE1 PHE B 90 77.330 -21.214 -9.556 1.00 0.00 H new ATOM 0 HE2 PHE B 90 75.040 -22.988 -6.384 1.00 0.00 H new ATOM 0 HZ PHE B 90 76.457 -23.230 -8.403 1.00 0.00 H new ATOM 3076 N GLU B 91 77.686 -19.563 -4.406 1.00 0.00 N ATOM 3077 CA GLU B 91 77.945 -20.639 -3.403 1.00 0.00 C ATOM 3078 C GLU B 91 77.791 -20.084 -1.982 1.00 0.00 C ATOM 3079 O GLU B 91 77.265 -20.740 -1.105 1.00 0.00 O ATOM 3080 CB GLU B 91 79.374 -21.160 -3.579 1.00 0.00 C ATOM 3081 CG GLU B 91 79.483 -21.944 -4.889 1.00 0.00 C ATOM 3082 CD GLU B 91 80.915 -22.457 -5.057 1.00 0.00 C ATOM 3083 OE1 GLU B 91 81.737 -22.151 -4.209 1.00 0.00 O ATOM 3084 OE2 GLU B 91 81.166 -23.144 -6.035 1.00 0.00 O ATOM 0 H GLU B 91 78.465 -19.358 -5.032 1.00 0.00 H new ATOM 0 HA GLU B 91 77.228 -21.446 -3.556 1.00 0.00 H new ATOM 0 HB2 GLU B 91 80.077 -20.327 -3.584 1.00 0.00 H new ATOM 0 HB3 GLU B 91 79.644 -21.799 -2.738 1.00 0.00 H new ATOM 0 HG2 GLU B 91 78.784 -22.780 -4.884 1.00 0.00 H new ATOM 0 HG3 GLU B 91 79.212 -21.307 -5.731 1.00 0.00 H new ATOM 3091 N GLY B 92 78.256 -18.886 -1.743 1.00 0.00 N ATOM 3092 CA GLY B 92 78.144 -18.303 -0.373 1.00 0.00 C ATOM 3093 C GLY B 92 76.693 -17.910 -0.089 1.00 0.00 C ATOM 3094 O GLY B 92 76.060 -17.229 -0.870 1.00 0.00 O ATOM 0 H GLY B 92 78.707 -18.287 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY B 92 78.485 -19.026 0.368 1.00 0.00 H new ATOM 0 HA3 GLY B 92 78.790 -17.429 -0.287 1.00 0.00 H new ATOM 3098 N PHE B 93 76.160 -18.337 1.026 1.00 0.00 N ATOM 3099 CA PHE B 93 74.749 -17.990 1.357 1.00 0.00 C ATOM 3100 C PHE B 93 74.656 -16.491 1.713 1.00 0.00 C ATOM 3101 O PHE B 93 75.597 -15.933 2.240 1.00 0.00 O ATOM 3102 CB PHE B 93 74.299 -18.833 2.559 1.00 0.00 C ATOM 3103 CG PHE B 93 75.183 -18.545 3.752 1.00 0.00 C ATOM 3104 CD1 PHE B 93 76.419 -19.192 3.881 1.00 0.00 C ATOM 3105 CD2 PHE B 93 74.764 -17.636 4.731 1.00 0.00 C ATOM 3106 CE1 PHE B 93 77.234 -18.930 4.991 1.00 0.00 C ATOM 3107 CE2 PHE B 93 75.580 -17.374 5.840 1.00 0.00 C ATOM 3108 CZ PHE B 93 76.814 -18.021 5.969 1.00 0.00 C ATOM 0 H PHE B 93 76.641 -18.910 1.720 1.00 0.00 H new ATOM 0 HA PHE B 93 74.107 -18.195 0.501 1.00 0.00 H new ATOM 0 HB2 PHE B 93 73.261 -18.609 2.803 1.00 0.00 H new ATOM 0 HB3 PHE B 93 74.346 -19.893 2.309 1.00 0.00 H new ATOM 0 HD1 PHE B 93 76.744 -19.892 3.126 1.00 0.00 H new ATOM 0 HD2 PHE B 93 73.812 -17.137 4.632 1.00 0.00 H new ATOM 0 HE1 PHE B 93 78.186 -19.430 5.092 1.00 0.00 H new ATOM 0 HE2 PHE B 93 75.256 -16.673 6.595 1.00 0.00 H new ATOM 0 HZ PHE B 93 77.443 -17.819 6.824 1.00 0.00 H new ATOM 3118 N PRO B 94 73.536 -15.834 1.453 1.00 0.00 N ATOM 3119 CA PRO B 94 73.403 -14.388 1.804 1.00 0.00 C ATOM 3120 C PRO B 94 73.447 -14.158 3.324 1.00 0.00 C ATOM 3121 O PRO B 94 72.945 -14.952 4.094 1.00 0.00 O ATOM 3122 CB PRO B 94 72.020 -14.024 1.222 1.00 0.00 C ATOM 3123 CG PRO B 94 71.305 -15.331 0.830 1.00 0.00 C ATOM 3124 CD PRO B 94 72.348 -16.459 0.795 1.00 0.00 C ATOM 0 HA PRO B 94 74.217 -13.779 1.410 1.00 0.00 H new ATOM 0 HB2 PRO B 94 71.431 -13.474 1.956 1.00 0.00 H new ATOM 0 HB3 PRO B 94 72.132 -13.376 0.353 1.00 0.00 H new ATOM 0 HG2 PRO B 94 70.518 -15.563 1.548 1.00 0.00 H new ATOM 0 HG3 PRO B 94 70.827 -15.225 -0.144 1.00 0.00 H new ATOM 0 HD2 PRO B 94 72.006 -17.343 1.334 1.00 0.00 H new ATOM 0 HD3 PRO B 94 72.570 -16.773 -0.225 1.00 0.00 H new ATOM 3132 N ASP B 95 74.039 -13.075 3.761 1.00 0.00 N ATOM 3133 CA ASP B 95 74.108 -12.793 5.228 1.00 0.00 C ATOM 3134 C ASP B 95 74.050 -11.281 5.461 1.00 0.00 C ATOM 3135 O ASP B 95 75.064 -10.621 5.577 1.00 0.00 O ATOM 3136 CB ASP B 95 75.419 -13.342 5.792 1.00 0.00 C ATOM 3137 CG ASP B 95 75.398 -13.245 7.318 1.00 0.00 C ATOM 3138 OD1 ASP B 95 74.504 -12.597 7.838 1.00 0.00 O ATOM 3139 OD2 ASP B 95 76.276 -13.818 7.940 1.00 0.00 O ATOM 0 H ASP B 95 74.478 -12.373 3.165 1.00 0.00 H new ATOM 0 HA ASP B 95 73.266 -13.272 5.729 1.00 0.00 H new ATOM 0 HB2 ASP B 95 75.553 -14.379 5.485 1.00 0.00 H new ATOM 0 HB3 ASP B 95 76.263 -12.779 5.393 1.00 0.00 H new ATOM 3144 N LYS B 96 72.867 -10.727 5.534 1.00 0.00 N ATOM 3145 CA LYS B 96 72.732 -9.256 5.763 1.00 0.00 C ATOM 3146 C LYS B 96 72.523 -8.984 7.255 1.00 0.00 C ATOM 3147 O LYS B 96 72.386 -7.852 7.672 1.00 0.00 O ATOM 3148 CB LYS B 96 71.530 -8.737 4.967 1.00 0.00 C ATOM 3149 CG LYS B 96 70.246 -9.399 5.476 1.00 0.00 C ATOM 3150 CD LYS B 96 69.094 -9.082 4.517 1.00 0.00 C ATOM 3151 CE LYS B 96 67.760 -9.471 5.158 1.00 0.00 C ATOM 3152 NZ LYS B 96 67.691 -10.951 5.317 1.00 0.00 N ATOM 0 H LYS B 96 71.985 -11.232 5.445 1.00 0.00 H new ATOM 0 HA LYS B 96 73.637 -8.746 5.434 1.00 0.00 H new ATOM 0 HB2 LYS B 96 71.456 -7.654 5.067 1.00 0.00 H new ATOM 0 HB3 LYS B 96 71.665 -8.951 3.907 1.00 0.00 H new ATOM 0 HG2 LYS B 96 70.385 -10.478 5.551 1.00 0.00 H new ATOM 0 HG3 LYS B 96 70.010 -9.038 6.477 1.00 0.00 H new ATOM 0 HD2 LYS B 96 69.094 -8.020 4.273 1.00 0.00 H new ATOM 0 HD3 LYS B 96 69.229 -9.624 3.581 1.00 0.00 H new ATOM 0 HE2 LYS B 96 67.657 -8.986 6.129 1.00 0.00 H new ATOM 0 HE3 LYS B 96 66.933 -9.123 4.539 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 66.751 -11.218 5.674 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 67.855 -11.407 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 68.419 -11.262 5.992 1.00 0.00 H new ATOM 3166 N GLN B 97 72.492 -10.019 8.060 1.00 0.00 N ATOM 3167 CA GLN B 97 72.289 -9.843 9.536 1.00 0.00 C ATOM 3168 C GLN B 97 73.601 -10.146 10.295 1.00 0.00 C ATOM 3169 O GLN B 97 73.925 -11.298 10.503 1.00 0.00 O ATOM 3170 CB GLN B 97 71.218 -10.832 9.996 1.00 0.00 C ATOM 3171 CG GLN B 97 69.940 -10.602 9.186 1.00 0.00 C ATOM 3172 CD GLN B 97 68.841 -11.539 9.689 1.00 0.00 C ATOM 3173 OE1 GLN B 97 67.784 -11.092 10.092 1.00 0.00 O ATOM 3174 NE2 GLN B 97 69.044 -12.827 9.681 1.00 0.00 N ATOM 0 H GLN B 97 72.599 -10.987 7.756 1.00 0.00 H new ATOM 0 HA GLN B 97 71.986 -8.816 9.741 1.00 0.00 H new ATOM 0 HB2 GLN B 97 71.569 -11.855 9.862 1.00 0.00 H new ATOM 0 HB3 GLN B 97 71.017 -10.701 11.059 1.00 0.00 H new ATOM 0 HG2 GLN B 97 69.619 -9.565 9.280 1.00 0.00 H new ATOM 0 HG3 GLN B 97 70.130 -10.782 8.128 1.00 0.00 H new ATOM 0 HE21 GLN B 97 69.931 -13.201 9.343 1.00 0.00 H new ATOM 0 HE22 GLN B 97 68.316 -13.460 10.013 1.00 0.00 H new ATOM 3183 N PRO B 98 74.356 -9.150 10.726 1.00 0.00 N ATOM 3184 CA PRO B 98 75.618 -9.421 11.473 1.00 0.00 C ATOM 3185 C PRO B 98 75.356 -9.763 12.950 1.00 0.00 C ATOM 3186 O PRO B 98 76.154 -9.462 13.816 1.00 0.00 O ATOM 3187 CB PRO B 98 76.362 -8.083 11.333 1.00 0.00 C ATOM 3188 CG PRO B 98 75.321 -7.002 10.988 1.00 0.00 C ATOM 3189 CD PRO B 98 74.037 -7.709 10.505 1.00 0.00 C ATOM 0 HA PRO B 98 76.170 -10.280 11.092 1.00 0.00 H new ATOM 0 HB2 PRO B 98 76.879 -7.834 12.260 1.00 0.00 H new ATOM 0 HB3 PRO B 98 77.120 -8.147 10.552 1.00 0.00 H new ATOM 0 HG2 PRO B 98 75.110 -6.385 11.861 1.00 0.00 H new ATOM 0 HG3 PRO B 98 75.704 -6.338 10.213 1.00 0.00 H new ATOM 0 HD2 PRO B 98 73.163 -7.395 11.075 1.00 0.00 H new ATOM 0 HD3 PRO B 98 73.827 -7.496 9.457 1.00 0.00 H new ATOM 3197 N ARG B 99 74.247 -10.387 13.244 1.00 0.00 N ATOM 3198 CA ARG B 99 73.948 -10.739 14.663 1.00 0.00 C ATOM 3199 C ARG B 99 74.984 -11.751 15.155 1.00 0.00 C ATOM 3200 O ARG B 99 75.195 -12.782 14.548 1.00 0.00 O ATOM 3201 CB ARG B 99 72.548 -11.358 14.747 1.00 0.00 C ATOM 3202 CG ARG B 99 72.191 -11.647 16.209 1.00 0.00 C ATOM 3203 CD ARG B 99 70.802 -12.289 16.276 1.00 0.00 C ATOM 3204 NE ARG B 99 69.777 -11.370 15.678 1.00 0.00 N ATOM 3205 CZ ARG B 99 69.563 -10.172 16.148 1.00 0.00 C ATOM 3206 NH1 ARG B 99 70.120 -9.788 17.263 1.00 0.00 N ATOM 3207 NH2 ARG B 99 68.747 -9.369 15.523 1.00 0.00 N ATOM 0 H ARG B 99 73.538 -10.667 12.567 1.00 0.00 H new ATOM 0 HA ARG B 99 73.986 -9.843 15.283 1.00 0.00 H new ATOM 0 HB2 ARG B 99 71.814 -10.679 14.312 1.00 0.00 H new ATOM 0 HB3 ARG B 99 72.513 -12.280 14.166 1.00 0.00 H new ATOM 0 HG2 ARG B 99 72.933 -12.312 16.651 1.00 0.00 H new ATOM 0 HG3 ARG B 99 72.205 -10.723 16.788 1.00 0.00 H new ATOM 0 HD2 ARG B 99 70.806 -13.239 15.741 1.00 0.00 H new ATOM 0 HD3 ARG B 99 70.544 -12.508 17.312 1.00 0.00 H new ATOM 0 HE ARG B 99 69.231 -11.692 14.879 1.00 0.00 H new ATOM 0 HH11 ARG B 99 70.729 -10.426 17.775 1.00 0.00 H new ATOM 0 HH12 ARG B 99 69.947 -8.849 17.623 1.00 0.00 H new ATOM 0 HH21 ARG B 99 68.280 -9.679 14.671 1.00 0.00 H new ATOM 0 HH22 ARG B 99 68.576 -8.431 15.886 1.00 0.00 H new ATOM 3221 N LYS B 100 75.632 -11.467 16.253 1.00 0.00 N ATOM 3222 CA LYS B 100 76.650 -12.419 16.782 1.00 0.00 C ATOM 3223 C LYS B 100 75.958 -13.558 17.535 1.00 0.00 C ATOM 3224 O LYS B 100 75.939 -14.686 17.084 1.00 0.00 O ATOM 3225 CB LYS B 100 77.606 -11.679 17.720 1.00 0.00 C ATOM 3226 CG LYS B 100 78.487 -10.729 16.903 1.00 0.00 C ATOM 3227 CD LYS B 100 79.445 -9.986 17.838 1.00 0.00 C ATOM 3228 CE LYS B 100 80.335 -9.044 17.023 1.00 0.00 C ATOM 3229 NZ LYS B 100 81.500 -8.623 17.852 1.00 0.00 N ATOM 0 H LYS B 100 75.501 -10.619 16.805 1.00 0.00 H new ATOM 0 HA LYS B 100 77.216 -12.838 15.950 1.00 0.00 H new ATOM 0 HB2 LYS B 100 77.041 -11.118 18.465 1.00 0.00 H new ATOM 0 HB3 LYS B 100 78.227 -12.393 18.262 1.00 0.00 H new ATOM 0 HG2 LYS B 100 79.052 -11.290 16.158 1.00 0.00 H new ATOM 0 HG3 LYS B 100 77.866 -10.016 16.361 1.00 0.00 H new ATOM 0 HD2 LYS B 100 78.880 -9.419 18.577 1.00 0.00 H new ATOM 0 HD3 LYS B 100 80.060 -10.700 18.386 1.00 0.00 H new ATOM 0 HE2 LYS B 100 80.680 -9.544 16.118 1.00 0.00 H new ATOM 0 HE3 LYS B 100 79.765 -8.170 16.707 1.00 0.00 H new ATOM 0 HZ1 LYS B 100 82.106 -7.983 17.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 100 81.161 -8.130 18.703 1.00 0.00 H new ATOM 0 HZ3 LYS B 100 82.048 -9.462 18.133 1.00 0.00 H new ATOM 3243 N LYS B 101 75.388 -13.274 18.679 1.00 0.00 N ATOM 3244 CA LYS B 101 74.691 -14.340 19.470 1.00 0.00 C ATOM 3245 C LYS B 101 73.179 -14.230 19.258 1.00 0.00 C ATOM 3246 O LYS B 101 72.497 -15.217 19.480 1.00 0.00 O ATOM 3247 CB LYS B 101 75.020 -14.161 20.955 1.00 0.00 C ATOM 3248 CG LYS B 101 74.399 -12.860 21.470 1.00 0.00 C ATOM 3249 CD LYS B 101 74.932 -12.562 22.873 1.00 0.00 C ATOM 3250 CE LYS B 101 74.140 -11.404 23.482 1.00 0.00 C ATOM 3251 NZ LYS B 101 74.703 -11.066 24.820 1.00 0.00 N ATOM 3252 OXT LYS B 101 72.729 -13.161 18.879 1.00 0.00 O ATOM 0 H LYS B 101 75.374 -12.346 19.103 1.00 0.00 H new ATOM 0 HA LYS B 101 75.027 -15.322 19.139 1.00 0.00 H new ATOM 0 HB2 LYS B 101 74.639 -15.008 21.526 1.00 0.00 H new ATOM 0 HB3 LYS B 101 76.100 -14.141 21.098 1.00 0.00 H new ATOM 0 HG2 LYS B 101 74.639 -12.038 20.796 1.00 0.00 H new ATOM 0 HG3 LYS B 101 73.313 -12.947 21.493 1.00 0.00 H new ATOM 0 HD2 LYS B 101 74.845 -13.447 23.503 1.00 0.00 H new ATOM 0 HD3 LYS B 101 75.991 -12.308 22.825 1.00 0.00 H new ATOM 0 HE2 LYS B 101 74.185 -10.534 22.827 1.00 0.00 H new ATOM 0 HE3 LYS B 101 73.089 -11.678 23.576 1.00 0.00 H new ATOM 0 HZ1 LYS B 101 74.165 -10.279 25.234 1.00 0.00 H new ATOM 0 HZ2 LYS B 101 74.638 -11.896 25.444 1.00 0.00 H new ATOM 0 HZ3 LYS B 101 75.700 -10.787 24.717 1.00 0.00 H new TER 3266 LYS B 101