USER MOD reduce.3.24.130724 H: found=0, std=0, add=1626, rem=0, adj=65 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: A 73 GLN : amide:sc= -1.35 X(o=-0.85,f=-1.2) USER MOD Set 1.2: B 97 GLN : amide:sc= 0.507 X(o=-0.85,f=-1.2) USER MOD Set 2.1: A 80 SER OG : rot -83:sc= 0.99 USER MOD Set 2.2: B 80 SER OG : rot -85:sc= 1.02 USER MOD Set 3.1: B 31 LYS NZ :NH3+ -109:sc= 1.12 (180deg=-0.411) USER MOD Set 3.2: B 56 GLN : amide:sc= -0.595 K(o=-3.8,f=-1.6) USER MOD Set 3.3: B 59 MET CE :methyl 172:sc= -0.996 (180deg=-0.375) USER MOD Set 3.4: B 68 ASN : amide:sc= -3.29! K(o=-3.8!,f=-1.6) USER MOD Set 4.1: B 14 SER OG : rot 48:sc= 1.14 USER MOD Set 4.2: B 17 HIS : no HE2:sc= -3.32! C(o=-2.2!,f=-5.6!) USER MOD Set 5.1: A 97 GLN : amide:sc= 0.604 X(o=-0.71,f=-1.2) USER MOD Set 5.2: B 73 GLN : amide:sc= -1.32 X(o=-0.71,f=-1.2) USER MOD Set 6.1: A 31 LYS NZ :NH3+ -104:sc= 0.966 (180deg=-0.38) USER MOD Set 6.2: A 56 GLN : amide:sc= -0.633 K(o=-3.8,f=-1.7) USER MOD Set 6.3: A 59 MET CE :methyl 171:sc= -1.02 (180deg=-0.368) USER MOD Set 6.4: A 68 ASN : amide:sc= -3.1! K(o=-3.8!,f=-1.7) USER MOD Set 7.1: A 14 SER OG : rot 46:sc= 1.31 USER MOD Set 7.2: A 17 HIS : no HE2:sc= -3.11! C(o=-1.8!,f=-5.3!) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.167 (180deg=-0.747) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0441 (180deg=-0.133) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= -1.16 (180deg=-1.42) USER MOD Single : A 12 MET CE :methyl -126:sc= -0.424 (180deg=-3.47!) USER MOD Single : A 15 THR OG1 : rot 50:sc= -0.381 USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 1.18 (180deg=0.93) USER MOD Single : A 19 TYR OH : rot 47:sc= 1.19 USER MOD Single : A 20 SER OG : rot 100:sc= -1.46! USER MOD Single : A 22 LYS NZ :NH3+ 154:sc= -0.303! (180deg=-3.51!) USER MOD Single : A 26 LYS NZ :NH3+ -169:sc=-0.00905 (180deg=-0.138) USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= 1.11 (180deg=0.0488) USER MOD Single : A 30 ASN : amide:sc= -2.23! C(o=-2.2!,f=-1.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -69:sc= 0.496 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.039) USER MOD Single : A 50 THR OG1 : rot 43:sc= 0.189 USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= -0.169 (180deg=-0.595) USER MOD Single : A 60 SER OG : rot 28:sc= 1.22 USER MOD Single : A 61 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.1) USER MOD Single : A 64 SER OG : rot 57:sc= 0.637 USER MOD Single : A 65 ASN : amide:sc= -1.06 K(o=-1.1,f=-3.9) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.764 USER MOD Single : A 76 SER OG : rot -100:sc= -0.571 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -176:sc= -0.837 (180deg=-0.846) USER MOD Single : A 85 MET CE :methyl -170:sc= -0.328 (180deg=-0.442) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -8.48! C(o=-8.5!,f=-12!) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= 0.295! (180deg=-0.168!) 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 -141:sc= -0.157 (180deg=-0.746) USER MOD Single : B 1 MET N :NH3+ -125:sc= 0.0596 (180deg=-0.0944) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 174:sc= -1.08 (180deg=-1.3) USER MOD Single : B 12 MET CE :methyl -126:sc= -0.414 (180deg=-3.48!) USER MOD Single : B 15 THR OG1 : rot 52:sc= -0.343 USER MOD Single : B 18 LYS NZ :NH3+ -142:sc= 1.19 (180deg=0.948) USER MOD Single : B 19 TYR OH : rot 45:sc= 1.11 USER MOD Single : B 20 SER OG : rot 119:sc= -1.42! USER MOD Single : B 22 LYS NZ :NH3+ 143:sc= -0.197! (180deg=-3.61!) USER MOD Single : B 26 LYS NZ :NH3+ -168:sc= -0.0215 (180deg=-0.154) USER MOD Single : B 28 LYS NZ :NH3+ 153:sc= 1.04 (180deg=0.1) USER MOD Single : B 30 ASN : amide:sc= -2.1! C(o=-2.1!,f=-1.3!) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000962) USER MOD Single : B 39 THR OG1 : rot -69:sc= 0.478 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0413) USER MOD Single : B 50 THR OG1 : rot 42:sc= 0.17 USER MOD Single : B 57 LYS NZ :NH3+ 159:sc= -0.128 (180deg=-0.544) USER MOD Single : B 60 SER OG : rot 31:sc= 1.18 USER MOD Single : B 61 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.1) USER MOD Single : B 64 SER OG : rot 56:sc= 0.64 USER MOD Single : B 65 ASN : amide:sc= -0.998 K(o=-1,f=-3.8) USER MOD Single : B 75 TYR OH : rot 180:sc= -0.7 USER MOD Single : B 76 SER OG : rot -110:sc= -0.584 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 84 MET CE :methyl -179:sc= -0.837 (180deg=-0.877) USER MOD Single : B 85 MET CE :methyl -172:sc= -0.365 (180deg=-0.484) USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD Single : B 87 ASN : amide:sc= -8.43! C(o=-8.4!,f=-12!) USER MOD Single : B 96 LYS NZ :NH3+ 169:sc= 0.397! (180deg=0.174!) 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 -11.478 0.115 14.737 1.00 3.80 N ATOM 2 CA MET A 1 -11.236 0.995 13.571 1.00 3.21 C ATOM 3 C MET A 1 -9.753 1.036 13.252 1.00 2.41 C ATOM 4 O MET A 1 -8.921 0.731 14.108 1.00 2.60 O ATOM 5 CB MET A 1 -11.735 2.413 13.863 1.00 3.84 C ATOM 6 CG MET A 1 -13.237 2.507 14.065 1.00 4.40 C ATOM 7 SD MET A 1 -13.786 4.188 14.421 1.00 5.09 S ATOM 8 CE MET A 1 -12.897 4.519 15.942 1.00 5.69 C ATOM 0 H1 MET A 1 -12.136 -0.644 14.468 1.00 3.80 H new ATOM 0 H2 MET A 1 -10.578 -0.301 15.051 1.00 3.80 H new ATOM 0 H3 MET A 1 -11.891 0.672 15.512 1.00 3.80 H new ATOM 0 HA MET A 1 -11.780 0.595 12.715 1.00 3.21 H new ATOM 0 HB2 MET A 1 -11.234 2.787 14.756 1.00 3.84 H new ATOM 0 HB3 MET A 1 -11.447 3.066 13.039 1.00 3.84 H new ATOM 0 HG2 MET A 1 -13.743 2.145 13.170 1.00 4.40 H new ATOM 0 HG3 MET A 1 -13.531 1.852 14.885 1.00 4.40 H new ATOM 0 HE1 MET A 1 -13.398 5.317 16.490 1.00 5.69 H new ATOM 0 HE2 MET A 1 -12.874 3.617 16.554 1.00 5.69 H new ATOM 0 HE3 MET A 1 -11.877 4.825 15.708 1.00 5.69 H new ATOM 20 N ALA A 2 -9.419 1.405 12.020 1.00 1.66 N ATOM 21 CA ALA A 2 -8.031 1.531 11.609 1.00 0.97 C ATOM 22 C ALA A 2 -7.461 2.862 12.040 1.00 0.80 C ATOM 23 O ALA A 2 -6.475 3.321 11.474 1.00 0.90 O ATOM 24 CB ALA A 2 -7.856 1.363 10.110 1.00 0.82 C ATOM 0 H ALA A 2 -10.096 1.622 11.288 1.00 1.66 H new ATOM 0 HA ALA A 2 -7.486 0.726 12.102 1.00 0.97 H new ATOM 0 HB1 ALA A 2 -6.802 1.466 9.853 1.00 0.82 H new ATOM 0 HB2 ALA A 2 -8.208 0.376 9.811 1.00 0.82 H new ATOM 0 HB3 ALA A 2 -8.433 2.127 9.588 1.00 0.82 H new ATOM 30 N SER A 3 -8.101 3.474 13.040 1.00 0.79 N ATOM 31 CA SER A 3 -7.515 4.592 13.762 1.00 0.78 C ATOM 32 C SER A 3 -6.065 4.221 14.073 1.00 0.65 C ATOM 33 O SER A 3 -5.782 3.025 14.156 1.00 0.83 O ATOM 34 CB SER A 3 -8.338 4.856 15.025 1.00 0.97 C ATOM 35 OG SER A 3 -8.562 3.657 15.746 1.00 1.18 O ATOM 0 H SER A 3 -9.030 3.207 13.365 1.00 0.79 H new ATOM 0 HA SER A 3 -7.524 5.512 13.178 1.00 0.78 H new ATOM 0 HB2 SER A 3 -7.817 5.574 15.659 1.00 0.97 H new ATOM 0 HB3 SER A 3 -9.293 5.305 14.753 1.00 0.97 H new ATOM 0 HG SER A 3 -9.088 3.852 16.549 1.00 1.18 H new ATOM 41 N PRO A 4 -5.212 5.155 14.523 1.00 0.67 N ATOM 42 CA PRO A 4 -3.835 5.388 14.032 1.00 0.62 C ATOM 43 C PRO A 4 -3.141 4.328 13.126 1.00 0.46 C ATOM 44 O PRO A 4 -2.032 4.581 12.675 1.00 0.50 O ATOM 45 CB PRO A 4 -3.106 5.527 15.357 1.00 0.79 C ATOM 46 CG PRO A 4 -4.063 6.293 16.220 1.00 0.96 C ATOM 47 CD PRO A 4 -5.454 6.050 15.664 1.00 0.87 C ATOM 0 HA PRO A 4 -3.830 6.225 13.334 1.00 0.62 H new ATOM 0 HB2 PRO A 4 -2.872 4.553 15.788 1.00 0.79 H new ATOM 0 HB3 PRO A 4 -2.162 6.059 15.239 1.00 0.79 H new ATOM 0 HG2 PRO A 4 -3.998 5.961 17.256 1.00 0.96 H new ATOM 0 HG3 PRO A 4 -3.824 7.357 16.211 1.00 0.96 H new ATOM 0 HD2 PRO A 4 -6.108 5.590 16.404 1.00 0.87 H new ATOM 0 HD3 PRO A 4 -5.930 6.979 15.352 1.00 0.87 H new ATOM 55 N LEU A 5 -3.733 3.165 12.877 1.00 0.36 N ATOM 56 CA LEU A 5 -3.122 2.148 12.022 1.00 0.32 C ATOM 57 C LEU A 5 -2.996 2.638 10.582 1.00 0.30 C ATOM 58 O LEU A 5 -2.008 2.353 9.910 1.00 0.32 O ATOM 59 CB LEU A 5 -3.945 0.856 12.061 1.00 0.31 C ATOM 60 CG LEU A 5 -3.593 -0.196 11.000 1.00 0.30 C ATOM 61 CD1 LEU A 5 -3.533 -1.571 11.639 1.00 0.40 C ATOM 62 CD2 LEU A 5 -4.619 -0.195 9.868 1.00 0.27 C ATOM 0 H LEU A 5 -4.642 2.900 13.257 1.00 0.36 H new ATOM 0 HA LEU A 5 -2.121 1.949 12.405 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -3.829 0.404 13.046 1.00 0.31 H new ATOM 0 HB3 LEU A 5 -4.998 1.116 11.952 1.00 0.31 H new ATOM 0 HG LEU A 5 -2.619 0.053 10.580 1.00 0.30 H new ATOM 0 HD11 LEU A 5 -3.283 -2.314 10.881 1.00 0.40 H new ATOM 0 HD12 LEU A 5 -2.771 -1.577 12.419 1.00 0.40 H new ATOM 0 HD13 LEU A 5 -4.502 -1.811 12.077 1.00 0.40 H new ATOM 0 HD21 LEU A 5 -4.347 -0.949 9.130 1.00 0.27 H new ATOM 0 HD22 LEU A 5 -5.606 -0.422 10.271 1.00 0.27 H new ATOM 0 HD23 LEU A 5 -4.637 0.787 9.394 1.00 0.27 H new ATOM 74 N GLU A 6 -3.988 3.377 10.113 1.00 0.34 N ATOM 75 CA GLU A 6 -3.973 3.884 8.751 1.00 0.42 C ATOM 76 C GLU A 6 -2.862 4.922 8.597 1.00 0.33 C ATOM 77 O GLU A 6 -2.113 4.945 7.613 1.00 0.31 O ATOM 78 CB GLU A 6 -5.334 4.489 8.384 1.00 0.62 C ATOM 79 CG GLU A 6 -5.586 5.903 8.911 1.00 1.80 C ATOM 80 CD GLU A 6 -5.796 6.002 10.415 1.00 2.84 C ATOM 81 OE1 GLU A 6 -4.852 5.713 11.173 1.00 3.61 O ATOM 82 OE2 GLU A 6 -6.887 6.423 10.844 1.00 3.32 O ATOM 0 H GLU A 6 -4.812 3.639 10.654 1.00 0.34 H new ATOM 0 HA GLU A 6 -3.778 3.056 8.069 1.00 0.42 H new ATOM 0 HB2 GLU A 6 -5.426 4.502 7.298 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.118 3.833 8.762 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -4.740 6.533 8.635 1.00 1.80 H new ATOM 0 HG3 GLU A 6 -6.464 6.310 8.409 1.00 1.80 H new ATOM 89 N LYS A 7 -2.747 5.765 9.600 1.00 0.35 N ATOM 90 CA LYS A 7 -1.713 6.763 9.644 1.00 0.36 C ATOM 91 C LYS A 7 -0.395 6.084 9.982 1.00 0.32 C ATOM 92 O LYS A 7 0.672 6.642 9.782 1.00 0.35 O ATOM 93 CB LYS A 7 -2.075 7.874 10.634 1.00 0.44 C ATOM 94 CG LYS A 7 -3.499 8.423 10.459 1.00 0.63 C ATOM 95 CD LYS A 7 -3.700 9.339 9.234 1.00 0.79 C ATOM 96 CE LYS A 7 -3.361 8.681 7.903 1.00 1.78 C ATOM 97 NZ LYS A 7 -2.051 9.148 7.374 1.00 2.82 N ATOM 0 H LYS A 7 -3.371 5.774 10.407 1.00 0.35 H new ATOM 0 HA LYS A 7 -1.610 7.245 8.672 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -1.965 7.493 11.649 1.00 0.44 H new ATOM 0 HB3 LYS A 7 -1.364 8.693 10.522 1.00 0.44 H new ATOM 0 HG2 LYS A 7 -4.189 7.583 10.382 1.00 0.63 H new ATOM 0 HG3 LYS A 7 -3.771 8.978 11.357 1.00 0.63 H new ATOM 0 HD2 LYS A 7 -4.738 9.671 9.209 1.00 0.79 H new ATOM 0 HD3 LYS A 7 -3.083 10.229 9.354 1.00 0.79 H new ATOM 0 HE2 LYS A 7 -3.337 7.598 8.028 1.00 1.78 H new ATOM 0 HE3 LYS A 7 -4.145 8.901 7.178 1.00 1.78 H new ATOM 0 HZ1 LYS A 7 -1.831 8.641 6.493 1.00 2.82 H new ATOM 0 HZ2 LYS A 7 -2.098 10.169 7.183 1.00 2.82 H new ATOM 0 HZ3 LYS A 7 -1.307 8.961 8.076 1.00 2.82 H new ATOM 111 N ALA A 8 -0.492 4.873 10.524 1.00 0.29 N ATOM 112 CA ALA A 8 0.683 4.037 10.759 1.00 0.29 C ATOM 113 C ALA A 8 1.231 3.484 9.449 1.00 0.27 C ATOM 114 O ALA A 8 2.431 3.243 9.331 1.00 0.28 O ATOM 115 CB ALA A 8 0.376 2.903 11.719 1.00 0.32 C ATOM 0 H ALA A 8 -1.374 4.447 10.809 1.00 0.29 H new ATOM 0 HA ALA A 8 1.444 4.670 11.215 1.00 0.29 H new ATOM 0 HB1 ALA A 8 1.273 2.302 11.871 1.00 0.32 H new ATOM 0 HB2 ALA A 8 0.049 3.313 12.674 1.00 0.32 H new ATOM 0 HB3 ALA A 8 -0.414 2.278 11.303 1.00 0.32 H new ATOM 121 N LEU A 9 0.364 3.264 8.462 1.00 0.26 N ATOM 122 CA LEU A 9 0.847 2.961 7.110 1.00 0.26 C ATOM 123 C LEU A 9 1.632 4.170 6.622 1.00 0.26 C ATOM 124 O LEU A 9 2.643 4.060 5.929 1.00 0.26 O ATOM 125 CB LEU A 9 -0.295 2.674 6.120 1.00 0.26 C ATOM 126 CG LEU A 9 -1.569 2.080 6.714 1.00 0.25 C ATOM 127 CD1 LEU A 9 -2.638 1.939 5.647 1.00 0.33 C ATOM 128 CD2 LEU A 9 -1.303 0.738 7.368 1.00 0.27 C ATOM 0 H LEU A 9 -0.651 3.288 8.564 1.00 0.26 H new ATOM 0 HA LEU A 9 1.461 2.061 7.157 1.00 0.26 H new ATOM 0 HB2 LEU A 9 -0.554 3.605 5.616 1.00 0.26 H new ATOM 0 HB3 LEU A 9 0.077 1.991 5.356 1.00 0.26 H new ATOM 0 HG LEU A 9 -1.925 2.765 7.484 1.00 0.25 H new ATOM 0 HD11 LEU A 9 -3.539 1.514 6.089 1.00 0.33 H new ATOM 0 HD12 LEU A 9 -2.866 2.919 5.229 1.00 0.33 H new ATOM 0 HD13 LEU A 9 -2.277 1.282 4.855 1.00 0.33 H new ATOM 0 HD21 LEU A 9 -2.232 0.344 7.780 1.00 0.27 H new ATOM 0 HD22 LEU A 9 -0.912 0.043 6.625 1.00 0.27 H new ATOM 0 HD23 LEU A 9 -0.574 0.862 8.169 1.00 0.27 H new ATOM 140 N ASP A 10 1.152 5.335 7.011 1.00 0.27 N ATOM 141 CA ASP A 10 1.877 6.581 6.752 1.00 0.29 C ATOM 142 C ASP A 10 3.175 6.615 7.569 1.00 0.27 C ATOM 143 O ASP A 10 4.189 7.160 7.133 1.00 0.28 O ATOM 144 CB ASP A 10 1.004 7.794 7.078 1.00 0.33 C ATOM 145 CG ASP A 10 1.698 9.115 6.807 1.00 0.38 C ATOM 146 OD1 ASP A 10 1.627 9.603 5.661 1.00 1.18 O ATOM 147 OD2 ASP A 10 2.284 9.689 7.751 1.00 1.16 O ATOM 0 H ASP A 10 0.268 5.453 7.506 1.00 0.27 H new ATOM 0 HA ASP A 10 2.129 6.622 5.692 1.00 0.29 H new ATOM 0 HB2 ASP A 10 0.088 7.744 6.489 1.00 0.33 H new ATOM 0 HB3 ASP A 10 0.711 7.752 8.127 1.00 0.33 H new ATOM 152 N VAL A 11 3.145 6.004 8.751 1.00 0.27 N ATOM 153 CA VAL A 11 4.341 5.851 9.565 1.00 0.27 C ATOM 154 C VAL A 11 5.311 4.887 8.880 1.00 0.27 C ATOM 155 O VAL A 11 6.512 4.920 9.122 1.00 0.29 O ATOM 156 CB VAL A 11 3.992 5.349 10.987 1.00 0.28 C ATOM 157 CG1 VAL A 11 5.245 5.027 11.784 1.00 0.31 C ATOM 158 CG2 VAL A 11 3.156 6.382 11.724 1.00 0.31 C ATOM 0 H VAL A 11 2.301 5.607 9.164 1.00 0.27 H new ATOM 0 HA VAL A 11 4.816 6.827 9.667 1.00 0.27 H new ATOM 0 HB VAL A 11 3.413 4.432 10.882 1.00 0.28 H new ATOM 0 HG11 VAL A 11 4.964 4.677 12.778 1.00 0.31 H new ATOM 0 HG12 VAL A 11 5.812 4.249 11.272 1.00 0.31 H new ATOM 0 HG13 VAL A 11 5.859 5.923 11.875 1.00 0.31 H new ATOM 0 HG21 VAL A 11 2.919 6.013 12.722 1.00 0.31 H new ATOM 0 HG22 VAL A 11 3.717 7.313 11.805 1.00 0.31 H new ATOM 0 HG23 VAL A 11 2.232 6.561 11.175 1.00 0.31 H new ATOM 168 N MET A 12 4.780 4.036 8.013 1.00 0.26 N ATOM 169 CA MET A 12 5.612 3.191 7.167 1.00 0.29 C ATOM 170 C MET A 12 6.401 4.053 6.182 1.00 0.29 C ATOM 171 O MET A 12 7.561 3.766 5.886 1.00 0.34 O ATOM 172 CB MET A 12 4.762 2.145 6.434 1.00 0.32 C ATOM 173 CG MET A 12 5.461 1.499 5.255 1.00 0.98 C ATOM 174 SD MET A 12 5.371 2.481 3.736 1.00 2.23 S ATOM 175 CE MET A 12 3.609 2.475 3.411 1.00 2.75 C ATOM 0 H MET A 12 3.777 3.912 7.877 1.00 0.26 H new ATOM 0 HA MET A 12 6.320 2.653 7.797 1.00 0.29 H new ATOM 0 HB2 MET A 12 4.471 1.368 7.141 1.00 0.32 H new ATOM 0 HB3 MET A 12 3.844 2.618 6.085 1.00 0.32 H new ATOM 0 HG2 MET A 12 6.508 1.333 5.510 1.00 0.98 H new ATOM 0 HG3 MET A 12 5.018 0.520 5.072 1.00 0.98 H new ATOM 0 HE1 MET A 12 3.427 2.116 2.398 1.00 2.75 H new ATOM 0 HE2 MET A 12 3.110 1.818 4.124 1.00 2.75 H new ATOM 0 HE3 MET A 12 3.217 3.487 3.514 1.00 2.75 H new ATOM 185 N VAL A 13 5.769 5.111 5.678 1.00 0.29 N ATOM 186 CA VAL A 13 6.477 6.098 4.861 1.00 0.31 C ATOM 187 C VAL A 13 7.666 6.654 5.652 1.00 0.27 C ATOM 188 O VAL A 13 8.772 6.840 5.125 1.00 0.27 O ATOM 189 CB VAL A 13 5.546 7.261 4.430 1.00 0.37 C ATOM 190 CG1 VAL A 13 6.276 8.242 3.527 1.00 0.41 C ATOM 191 CG2 VAL A 13 4.300 6.734 3.732 1.00 0.42 C ATOM 0 H VAL A 13 4.778 5.307 5.818 1.00 0.29 H new ATOM 0 HA VAL A 13 6.827 5.600 3.957 1.00 0.31 H new ATOM 0 HB VAL A 13 5.240 7.787 5.334 1.00 0.37 H new ATOM 0 HG11 VAL A 13 5.599 9.046 3.241 1.00 0.41 H new ATOM 0 HG12 VAL A 13 7.131 8.660 4.059 1.00 0.41 H new ATOM 0 HG13 VAL A 13 6.623 7.724 2.633 1.00 0.41 H new ATOM 0 HG21 VAL A 13 3.665 7.571 3.441 1.00 0.42 H new ATOM 0 HG22 VAL A 13 4.590 6.172 2.844 1.00 0.42 H new ATOM 0 HG23 VAL A 13 3.751 6.081 4.411 1.00 0.42 H new ATOM 201 N SER A 14 7.435 6.882 6.939 1.00 0.26 N ATOM 202 CA SER A 14 8.485 7.335 7.837 1.00 0.26 C ATOM 203 C SER A 14 9.506 6.224 8.080 1.00 0.25 C ATOM 204 O SER A 14 10.703 6.491 8.213 1.00 0.26 O ATOM 205 CB SER A 14 7.876 7.823 9.159 1.00 0.31 C ATOM 206 OG SER A 14 8.854 8.416 9.996 1.00 1.18 O ATOM 0 H SER A 14 6.525 6.759 7.384 1.00 0.26 H new ATOM 0 HA SER A 14 9.007 8.170 7.370 1.00 0.26 H new ATOM 0 HB2 SER A 14 7.087 8.546 8.952 1.00 0.31 H new ATOM 0 HB3 SER A 14 7.412 6.984 9.678 1.00 0.31 H new ATOM 0 HG SER A 14 9.410 9.026 9.468 1.00 1.18 H new ATOM 212 N THR A 15 9.026 4.986 8.119 1.00 0.28 N ATOM 213 CA THR A 15 9.890 3.822 8.220 1.00 0.32 C ATOM 214 C THR A 15 10.945 3.867 7.115 1.00 0.28 C ATOM 215 O THR A 15 12.142 3.635 7.343 1.00 0.29 O ATOM 216 CB THR A 15 9.067 2.523 8.098 1.00 0.45 C ATOM 217 OG1 THR A 15 8.105 2.459 9.163 1.00 0.59 O ATOM 218 CG2 THR A 15 9.963 1.298 8.139 1.00 0.93 C ATOM 0 H THR A 15 8.031 4.764 8.082 1.00 0.28 H new ATOM 0 HA THR A 15 10.379 3.835 9.194 1.00 0.32 H new ATOM 0 HB THR A 15 8.552 2.534 7.137 1.00 0.45 H new ATOM 0 HG1 THR A 15 7.607 3.302 9.205 1.00 0.59 H new ATOM 0 HG21 THR A 15 9.354 0.398 8.051 1.00 0.93 H new ATOM 0 HG22 THR A 15 10.672 1.338 7.312 1.00 0.93 H new ATOM 0 HG23 THR A 15 10.507 1.277 9.083 1.00 0.93 H new ATOM 226 N PHE A 16 10.481 4.210 5.919 1.00 0.27 N ATOM 227 CA PHE A 16 11.344 4.337 4.762 1.00 0.27 C ATOM 228 C PHE A 16 12.457 5.349 4.985 1.00 0.29 C ATOM 229 O PHE A 16 13.630 4.979 4.952 1.00 0.37 O ATOM 230 CB PHE A 16 10.529 4.705 3.526 1.00 0.34 C ATOM 231 CG PHE A 16 11.353 4.742 2.282 1.00 0.83 C ATOM 232 CD1 PHE A 16 12.162 5.827 2.001 1.00 1.65 C ATOM 233 CD2 PHE A 16 11.333 3.683 1.402 1.00 1.73 C ATOM 234 CE1 PHE A 16 12.934 5.855 0.867 1.00 2.27 C ATOM 235 CE2 PHE A 16 12.101 3.707 0.264 1.00 2.34 C ATOM 236 CZ PHE A 16 12.904 4.794 -0.001 1.00 2.36 C ATOM 0 H PHE A 16 9.498 4.406 5.729 1.00 0.27 H new ATOM 0 HA PHE A 16 11.815 3.367 4.602 1.00 0.27 H new ATOM 0 HB2 PHE A 16 9.721 3.984 3.401 1.00 0.34 H new ATOM 0 HB3 PHE A 16 10.065 5.680 3.679 1.00 0.34 H new ATOM 0 HD1 PHE A 16 12.187 6.664 2.683 1.00 1.65 H new ATOM 0 HD2 PHE A 16 10.708 2.827 1.609 1.00 1.73 H new ATOM 0 HE1 PHE A 16 13.562 6.709 0.659 1.00 2.27 H new ATOM 0 HE2 PHE A 16 12.075 2.874 -0.423 1.00 2.34 H new ATOM 0 HZ PHE A 16 13.511 4.811 -0.894 1.00 2.36 H new ATOM 246 N HIS A 17 12.111 6.618 5.223 1.00 0.30 N ATOM 247 CA HIS A 17 13.144 7.659 5.312 1.00 0.40 C ATOM 248 C HIS A 17 14.078 7.421 6.493 1.00 0.36 C ATOM 249 O HIS A 17 15.130 8.047 6.600 1.00 0.42 O ATOM 250 CB HIS A 17 12.550 9.075 5.370 1.00 0.59 C ATOM 251 CG HIS A 17 11.834 9.436 6.638 1.00 0.81 C ATOM 252 ND1 HIS A 17 12.469 9.600 7.853 1.00 1.53 N ATOM 253 CD2 HIS A 17 10.529 9.697 6.861 1.00 1.78 C ATOM 254 CE1 HIS A 17 11.581 9.946 8.764 1.00 2.03 C ATOM 255 NE2 HIS A 17 10.396 10.013 8.189 1.00 2.20 N ATOM 0 H HIS A 17 11.154 6.945 5.354 1.00 0.30 H new ATOM 0 HA HIS A 17 13.727 7.590 4.393 1.00 0.40 H new ATOM 0 HB2 HIS A 17 13.356 9.792 5.214 1.00 0.59 H new ATOM 0 HB3 HIS A 17 11.855 9.191 4.538 1.00 0.59 H new ATOM 0 HD1 HIS A 17 13.467 9.473 8.019 1.00 1.53 H new ATOM 0 HD2 HIS A 17 9.736 9.663 6.129 1.00 1.78 H new ATOM 0 HE1 HIS A 17 11.789 10.142 9.806 1.00 2.03 H new ATOM 264 N LYS A 18 13.678 6.524 7.378 1.00 0.34 N ATOM 265 CA LYS A 18 14.524 6.099 8.474 1.00 0.39 C ATOM 266 C LYS A 18 15.693 5.270 7.955 1.00 0.37 C ATOM 267 O LYS A 18 16.840 5.512 8.320 1.00 0.47 O ATOM 268 CB LYS A 18 13.706 5.281 9.467 1.00 0.43 C ATOM 269 CG LYS A 18 14.544 4.585 10.525 1.00 0.55 C ATOM 270 CD LYS A 18 13.671 3.797 11.487 1.00 0.73 C ATOM 271 CE LYS A 18 12.753 2.848 10.739 1.00 0.80 C ATOM 272 NZ LYS A 18 12.061 1.905 11.648 1.00 1.28 N ATOM 0 H LYS A 18 12.763 6.074 7.356 1.00 0.34 H new ATOM 0 HA LYS A 18 14.921 6.982 8.974 1.00 0.39 H new ATOM 0 HB2 LYS A 18 12.988 5.937 9.959 1.00 0.43 H new ATOM 0 HB3 LYS A 18 13.132 4.532 8.921 1.00 0.43 H new ATOM 0 HG2 LYS A 18 15.257 3.915 10.045 1.00 0.55 H new ATOM 0 HG3 LYS A 18 15.124 5.324 11.078 1.00 0.55 H new ATOM 0 HD2 LYS A 18 14.300 3.232 12.175 1.00 0.73 H new ATOM 0 HD3 LYS A 18 13.076 4.484 12.089 1.00 0.73 H new ATOM 0 HE2 LYS A 18 12.013 3.424 10.184 1.00 0.80 H new ATOM 0 HE3 LYS A 18 13.333 2.285 10.008 1.00 0.80 H new ATOM 0 HZ1 LYS A 18 11.553 1.192 11.087 1.00 1.28 H new ATOM 0 HZ2 LYS A 18 12.760 1.433 12.256 1.00 1.28 H new ATOM 0 HZ3 LYS A 18 11.384 2.427 12.240 1.00 1.28 H new ATOM 286 N TYR A 19 15.393 4.297 7.099 1.00 0.29 N ATOM 287 CA TYR A 19 16.418 3.403 6.561 1.00 0.29 C ATOM 288 C TYR A 19 17.116 3.989 5.344 1.00 0.33 C ATOM 289 O TYR A 19 18.289 3.720 5.115 1.00 0.44 O ATOM 290 CB TYR A 19 15.827 2.043 6.212 1.00 0.31 C ATOM 291 CG TYR A 19 15.747 1.117 7.397 1.00 0.36 C ATOM 292 CD1 TYR A 19 14.735 1.244 8.329 1.00 1.23 C ATOM 293 CD2 TYR A 19 16.691 0.115 7.583 1.00 1.28 C ATOM 294 CE1 TYR A 19 14.664 0.402 9.418 1.00 1.26 C ATOM 295 CE2 TYR A 19 16.622 -0.733 8.671 1.00 1.35 C ATOM 296 CZ TYR A 19 15.605 -0.581 9.585 1.00 0.62 C ATOM 297 OH TYR A 19 15.520 -1.422 10.671 1.00 0.79 O ATOM 0 H TYR A 19 14.449 4.106 6.762 1.00 0.29 H new ATOM 0 HA TYR A 19 17.165 3.280 7.346 1.00 0.29 H new ATOM 0 HB2 TYR A 19 14.828 2.182 5.798 1.00 0.31 H new ATOM 0 HB3 TYR A 19 16.433 1.578 5.434 1.00 0.31 H new ATOM 0 HD1 TYR A 19 13.989 2.014 8.202 1.00 1.23 H new ATOM 0 HD2 TYR A 19 17.490 -0.003 6.866 1.00 1.28 H new ATOM 0 HE1 TYR A 19 13.868 0.516 10.139 1.00 1.26 H new ATOM 0 HE2 TYR A 19 17.361 -1.510 8.803 1.00 1.35 H new ATOM 0 HH TYR A 19 14.601 -1.751 10.759 1.00 0.79 H new ATOM 307 N SER A 20 16.401 4.773 4.562 1.00 0.29 N ATOM 308 CA SER A 20 16.990 5.398 3.393 1.00 0.32 C ATOM 309 C SER A 20 17.880 6.554 3.815 1.00 0.40 C ATOM 310 O SER A 20 18.895 6.844 3.193 1.00 0.60 O ATOM 311 CB SER A 20 15.885 5.884 2.465 1.00 0.35 C ATOM 312 OG SER A 20 15.049 6.826 3.116 1.00 0.86 O ATOM 0 H SER A 20 15.416 4.992 4.713 1.00 0.29 H new ATOM 0 HA SER A 20 17.602 4.670 2.861 1.00 0.32 H new ATOM 0 HB2 SER A 20 16.325 6.337 1.576 1.00 0.35 H new ATOM 0 HB3 SER A 20 15.289 5.036 2.129 1.00 0.35 H new ATOM 0 HG SER A 20 15.311 7.733 2.853 1.00 0.86 H new ATOM 318 N GLY A 21 17.506 7.194 4.910 1.00 0.37 N ATOM 319 CA GLY A 21 18.262 8.323 5.395 1.00 0.43 C ATOM 320 C GLY A 21 19.459 7.906 6.216 1.00 0.41 C ATOM 321 O GLY A 21 19.896 8.640 7.103 1.00 0.46 O ATOM 0 H GLY A 21 16.690 6.950 5.472 1.00 0.37 H new ATOM 0 HA2 GLY A 21 18.597 8.923 4.549 1.00 0.43 H new ATOM 0 HA3 GLY A 21 17.614 8.958 5.999 1.00 0.43 H new ATOM 325 N LYS A 22 19.987 6.726 5.935 1.00 0.40 N ATOM 326 CA LYS A 22 21.157 6.244 6.635 1.00 0.46 C ATOM 327 C LYS A 22 22.385 6.365 5.736 1.00 0.52 C ATOM 328 O LYS A 22 23.376 6.997 6.104 1.00 0.65 O ATOM 329 CB LYS A 22 20.964 4.803 7.095 1.00 0.47 C ATOM 330 CG LYS A 22 19.614 4.530 7.726 1.00 0.60 C ATOM 331 CD LYS A 22 19.534 3.145 8.370 1.00 0.56 C ATOM 332 CE LYS A 22 19.792 2.005 7.385 1.00 0.49 C ATOM 333 NZ LYS A 22 21.240 1.712 7.225 1.00 1.08 N ATOM 0 H LYS A 22 19.622 6.088 5.228 1.00 0.40 H new ATOM 0 HA LYS A 22 21.308 6.857 7.523 1.00 0.46 H new ATOM 0 HB2 LYS A 22 21.094 4.140 6.240 1.00 0.47 H new ATOM 0 HB3 LYS A 22 21.745 4.554 7.813 1.00 0.47 H new ATOM 0 HG2 LYS A 22 19.410 5.290 8.481 1.00 0.60 H new ATOM 0 HG3 LYS A 22 18.838 4.619 6.966 1.00 0.60 H new ATOM 0 HD2 LYS A 22 20.260 3.086 9.181 1.00 0.56 H new ATOM 0 HD3 LYS A 22 18.548 3.015 8.815 1.00 0.56 H new ATOM 0 HE2 LYS A 22 19.278 1.107 7.729 1.00 0.49 H new ATOM 0 HE3 LYS A 22 19.367 2.263 6.415 1.00 0.49 H new ATOM 0 HZ1 LYS A 22 21.364 0.721 6.935 1.00 1.08 H new ATOM 0 HZ2 LYS A 22 21.643 2.338 6.499 1.00 1.08 H new ATOM 0 HZ3 LYS A 22 21.728 1.872 8.129 1.00 1.08 H new ATOM 347 N GLU A 23 22.313 5.763 4.555 1.00 0.47 N ATOM 348 CA GLU A 23 23.383 5.854 3.576 1.00 0.55 C ATOM 349 C GLU A 23 22.787 5.968 2.173 1.00 0.58 C ATOM 350 O GLU A 23 21.581 5.823 2.000 1.00 0.64 O ATOM 351 CB GLU A 23 24.292 4.624 3.681 1.00 0.67 C ATOM 352 CG GLU A 23 25.587 4.738 2.900 1.00 1.15 C ATOM 353 CD GLU A 23 26.363 5.985 3.257 1.00 1.59 C ATOM 354 OE1 GLU A 23 27.173 5.937 4.205 1.00 1.96 O ATOM 355 OE2 GLU A 23 26.160 7.026 2.592 1.00 2.38 O ATOM 0 H GLU A 23 21.516 5.202 4.253 1.00 0.47 H new ATOM 0 HA GLU A 23 23.983 6.743 3.773 1.00 0.55 H new ATOM 0 HB2 GLU A 23 24.528 4.450 4.731 1.00 0.67 H new ATOM 0 HB3 GLU A 23 23.744 3.750 3.328 1.00 0.67 H new ATOM 0 HG2 GLU A 23 26.204 3.861 3.094 1.00 1.15 H new ATOM 0 HG3 GLU A 23 25.366 4.743 1.833 1.00 1.15 H new ATOM 362 N GLY A 24 23.622 6.253 1.181 1.00 0.72 N ATOM 363 CA GLY A 24 23.139 6.378 -0.180 1.00 0.85 C ATOM 364 C GLY A 24 22.186 7.542 -0.329 1.00 0.79 C ATOM 365 O GLY A 24 22.445 8.629 0.202 1.00 0.92 O ATOM 0 H GLY A 24 24.625 6.400 1.295 1.00 0.72 H new ATOM 0 HA2 GLY A 24 23.984 6.510 -0.856 1.00 0.85 H new ATOM 0 HA3 GLY A 24 22.637 5.456 -0.474 1.00 0.85 H new ATOM 369 N ASP A 25 21.082 7.328 -1.029 1.00 0.71 N ATOM 370 CA ASP A 25 20.079 8.369 -1.180 1.00 0.70 C ATOM 371 C ASP A 25 19.175 8.394 0.036 1.00 0.73 C ATOM 372 O ASP A 25 18.779 7.355 0.548 1.00 1.34 O ATOM 373 CB ASP A 25 19.212 8.136 -2.408 1.00 0.73 C ATOM 374 CG ASP A 25 18.688 9.430 -2.997 1.00 1.04 C ATOM 375 OD1 ASP A 25 17.775 10.038 -2.398 1.00 1.65 O ATOM 376 OD2 ASP A 25 19.190 9.849 -4.060 1.00 1.75 O ATOM 0 H ASP A 25 20.860 6.450 -1.498 1.00 0.71 H new ATOM 0 HA ASP A 25 20.608 9.316 -1.290 1.00 0.70 H new ATOM 0 HB2 ASP A 25 19.791 7.604 -3.163 1.00 0.73 H new ATOM 0 HB3 ASP A 25 18.372 7.495 -2.140 1.00 0.73 H new ATOM 381 N LYS A 26 18.823 9.587 0.462 1.00 0.61 N ATOM 382 CA LYS A 26 17.978 9.775 1.628 1.00 0.56 C ATOM 383 C LYS A 26 16.531 9.433 1.290 1.00 0.49 C ATOM 384 O LYS A 26 15.689 9.241 2.171 1.00 0.55 O ATOM 385 CB LYS A 26 18.107 11.229 2.109 1.00 0.71 C ATOM 386 CG LYS A 26 16.939 11.729 2.943 1.00 1.03 C ATOM 387 CD LYS A 26 16.903 11.084 4.318 1.00 0.70 C ATOM 388 CE LYS A 26 15.727 11.582 5.141 1.00 0.94 C ATOM 389 NZ LYS A 26 15.806 13.042 5.412 1.00 1.56 N ATOM 0 H LYS A 26 19.113 10.456 0.013 1.00 0.61 H new ATOM 0 HA LYS A 26 18.297 9.108 2.429 1.00 0.56 H new ATOM 0 HB2 LYS A 26 19.021 11.323 2.695 1.00 0.71 H new ATOM 0 HB3 LYS A 26 18.218 11.876 1.239 1.00 0.71 H new ATOM 0 HG2 LYS A 26 17.009 12.811 3.052 1.00 1.03 H new ATOM 0 HG3 LYS A 26 16.005 11.521 2.421 1.00 1.03 H new ATOM 0 HD2 LYS A 26 16.840 10.001 4.211 1.00 0.70 H new ATOM 0 HD3 LYS A 26 17.833 11.298 4.845 1.00 0.70 H new ATOM 0 HE2 LYS A 26 14.799 11.362 4.614 1.00 0.94 H new ATOM 0 HE3 LYS A 26 15.693 11.041 6.086 1.00 0.94 H new ATOM 0 HZ1 LYS A 26 15.094 13.302 6.124 1.00 1.56 H new ATOM 0 HZ2 LYS A 26 16.754 13.278 5.768 1.00 1.56 H new ATOM 0 HZ3 LYS A 26 15.625 13.568 4.533 1.00 1.56 H new ATOM 403 N PHE A 27 16.260 9.318 0.010 1.00 0.45 N ATOM 404 CA PHE A 27 14.909 9.126 -0.462 1.00 0.44 C ATOM 405 C PHE A 27 14.799 7.810 -1.207 1.00 0.40 C ATOM 406 O PHE A 27 13.743 7.471 -1.717 1.00 0.40 O ATOM 407 CB PHE A 27 14.493 10.291 -1.368 1.00 0.50 C ATOM 408 CG PHE A 27 14.743 11.644 -0.758 1.00 0.78 C ATOM 409 CD1 PHE A 27 13.989 12.093 0.316 1.00 1.76 C ATOM 410 CD2 PHE A 27 15.741 12.464 -1.259 1.00 1.28 C ATOM 411 CE1 PHE A 27 14.228 13.333 0.876 1.00 2.09 C ATOM 412 CE2 PHE A 27 15.982 13.704 -0.703 1.00 1.59 C ATOM 413 CZ PHE A 27 15.225 14.140 0.366 1.00 1.65 C ATOM 0 H PHE A 27 16.964 9.355 -0.727 1.00 0.45 H new ATOM 0 HA PHE A 27 14.237 9.098 0.396 1.00 0.44 H new ATOM 0 HB2 PHE A 27 15.036 10.220 -2.310 1.00 0.50 H new ATOM 0 HB3 PHE A 27 13.433 10.197 -1.603 1.00 0.50 H new ATOM 0 HD1 PHE A 27 13.207 11.467 0.719 1.00 1.76 H new ATOM 0 HD2 PHE A 27 16.338 12.129 -2.095 1.00 1.28 H new ATOM 0 HE1 PHE A 27 13.635 13.671 1.713 1.00 2.09 H new ATOM 0 HE2 PHE A 27 16.763 14.333 -1.104 1.00 1.59 H new ATOM 0 HZ PHE A 27 15.412 15.110 0.802 1.00 1.65 H new ATOM 423 N LYS A 28 15.890 7.057 -1.240 1.00 0.39 N ATOM 424 CA LYS A 28 15.916 5.801 -1.964 1.00 0.36 C ATOM 425 C LYS A 28 16.783 4.782 -1.250 1.00 0.34 C ATOM 426 O LYS A 28 17.894 5.075 -0.818 1.00 0.38 O ATOM 427 CB LYS A 28 16.395 5.978 -3.407 1.00 0.40 C ATOM 428 CG LYS A 28 15.435 6.742 -4.302 1.00 0.49 C ATOM 429 CD LYS A 28 15.787 6.554 -5.769 1.00 0.56 C ATOM 430 CE LYS A 28 14.940 7.431 -6.685 1.00 0.86 C ATOM 431 NZ LYS A 28 14.868 8.837 -6.213 1.00 1.70 N ATOM 0 H LYS A 28 16.765 7.296 -0.774 1.00 0.39 H new ATOM 0 HA LYS A 28 14.890 5.434 -1.996 1.00 0.36 H new ATOM 0 HB2 LYS A 28 17.353 6.497 -3.397 1.00 0.40 H new ATOM 0 HB3 LYS A 28 16.571 4.994 -3.841 1.00 0.40 H new ATOM 0 HG2 LYS A 28 14.416 6.400 -4.123 1.00 0.49 H new ATOM 0 HG3 LYS A 28 15.464 7.802 -4.051 1.00 0.49 H new ATOM 0 HD2 LYS A 28 16.841 6.787 -5.920 1.00 0.56 H new ATOM 0 HD3 LYS A 28 15.649 5.508 -6.042 1.00 0.56 H new ATOM 0 HE2 LYS A 28 15.357 7.409 -7.692 1.00 0.86 H new ATOM 0 HE3 LYS A 28 13.933 7.020 -6.748 1.00 0.86 H new ATOM 0 HZ1 LYS A 28 14.638 9.460 -7.013 1.00 1.70 H new ATOM 0 HZ2 LYS A 28 14.130 8.922 -5.485 1.00 1.70 H new ATOM 0 HZ3 LYS A 28 15.785 9.115 -5.809 1.00 1.70 H new ATOM 445 N LEU A 29 16.261 3.579 -1.149 1.00 0.31 N ATOM 446 CA LEU A 29 16.928 2.503 -0.440 1.00 0.28 C ATOM 447 C LEU A 29 17.872 1.749 -1.347 1.00 0.31 C ATOM 448 O LEU A 29 17.457 0.969 -2.205 1.00 0.33 O ATOM 449 CB LEU A 29 15.909 1.527 0.130 1.00 0.26 C ATOM 450 CG LEU A 29 15.014 2.082 1.220 1.00 0.26 C ATOM 451 CD1 LEU A 29 13.809 1.188 1.378 1.00 0.28 C ATOM 452 CD2 LEU A 29 15.774 2.182 2.531 1.00 0.25 C ATOM 0 H LEU A 29 15.363 3.317 -1.555 1.00 0.31 H new ATOM 0 HA LEU A 29 17.500 2.955 0.370 1.00 0.28 H new ATOM 0 HB2 LEU A 29 15.280 1.168 -0.685 1.00 0.26 H new ATOM 0 HB3 LEU A 29 16.442 0.663 0.526 1.00 0.26 H new ATOM 0 HG LEU A 29 14.686 3.083 0.941 1.00 0.26 H new ATOM 0 HD11 LEU A 29 13.163 1.584 2.161 1.00 0.28 H new ATOM 0 HD12 LEU A 29 13.259 1.150 0.438 1.00 0.28 H new ATOM 0 HD13 LEU A 29 14.134 0.184 1.649 1.00 0.28 H new ATOM 0 HD21 LEU A 29 15.117 2.582 3.303 1.00 0.25 H new ATOM 0 HD22 LEU A 29 16.121 1.192 2.827 1.00 0.25 H new ATOM 0 HD23 LEU A 29 16.631 2.844 2.405 1.00 0.25 H new ATOM 464 N ASN A 30 19.138 1.973 -1.115 1.00 0.32 N ATOM 465 CA ASN A 30 20.204 1.234 -1.753 1.00 0.36 C ATOM 466 C ASN A 30 20.177 -0.196 -1.247 1.00 0.33 C ATOM 467 O ASN A 30 19.623 -0.442 -0.179 1.00 0.30 O ATOM 468 CB ASN A 30 21.528 1.916 -1.418 1.00 0.42 C ATOM 469 CG ASN A 30 21.652 2.202 0.071 1.00 0.44 C ATOM 470 OD1 ASN A 30 22.295 1.450 0.806 1.00 0.56 O ATOM 471 ND2 ASN A 30 20.998 3.267 0.533 1.00 0.43 N ATOM 0 H ASN A 30 19.467 2.687 -0.465 1.00 0.32 H new ATOM 0 HA ASN A 30 20.082 1.217 -2.836 1.00 0.36 H new ATOM 0 HB2 ASN A 30 22.355 1.282 -1.737 1.00 0.42 H new ATOM 0 HB3 ASN A 30 21.608 2.849 -1.976 1.00 0.42 H new ATOM 0 HD21 ASN A 30 21.018 3.485 1.529 1.00 0.43 H new ATOM 0 HD22 ASN A 30 20.477 3.864 -0.110 1.00 0.43 H new ATOM 478 N LYS A 31 20.758 -1.133 -1.995 1.00 0.35 N ATOM 479 CA LYS A 31 20.638 -2.557 -1.665 1.00 0.34 C ATOM 480 C LYS A 31 20.923 -2.828 -0.197 1.00 0.31 C ATOM 481 O LYS A 31 20.251 -3.648 0.423 1.00 0.31 O ATOM 482 CB LYS A 31 21.601 -3.415 -2.474 1.00 0.41 C ATOM 483 CG LYS A 31 21.277 -3.549 -3.945 1.00 0.68 C ATOM 484 CD LYS A 31 22.291 -4.465 -4.600 1.00 0.71 C ATOM 485 CE LYS A 31 22.056 -4.630 -6.088 1.00 1.15 C ATOM 486 NZ LYS A 31 20.879 -5.480 -6.383 1.00 1.99 N ATOM 0 H LYS A 31 21.313 -0.937 -2.828 1.00 0.35 H new ATOM 0 HA LYS A 31 19.607 -2.819 -1.905 1.00 0.34 H new ATOM 0 HB2 LYS A 31 22.602 -2.996 -2.377 1.00 0.41 H new ATOM 0 HB3 LYS A 31 21.629 -4.412 -2.034 1.00 0.41 H new ATOM 0 HG2 LYS A 31 20.272 -3.950 -4.073 1.00 0.68 H new ATOM 0 HG3 LYS A 31 21.292 -2.570 -4.423 1.00 0.68 H new ATOM 0 HD2 LYS A 31 23.293 -4.067 -4.437 1.00 0.71 H new ATOM 0 HD3 LYS A 31 22.254 -5.443 -4.120 1.00 0.71 H new ATOM 0 HE2 LYS A 31 21.915 -3.649 -6.542 1.00 1.15 H new ATOM 0 HE3 LYS A 31 22.942 -5.069 -6.547 1.00 1.15 H new ATOM 0 HZ1 LYS A 31 21.198 -6.422 -6.687 1.00 1.99 H new ATOM 0 HZ2 LYS A 31 20.294 -5.572 -5.528 1.00 1.99 H new ATOM 0 HZ3 LYS A 31 20.317 -5.044 -7.141 1.00 1.99 H new ATOM 500 N SER A 32 21.920 -2.137 0.342 1.00 0.34 N ATOM 501 CA SER A 32 22.340 -2.328 1.723 1.00 0.37 C ATOM 502 C SER A 32 21.161 -2.141 2.661 1.00 0.34 C ATOM 503 O SER A 32 20.815 -3.018 3.452 1.00 0.38 O ATOM 504 CB SER A 32 23.430 -1.308 2.071 1.00 0.45 C ATOM 505 OG SER A 32 24.018 -1.582 3.332 1.00 1.33 O ATOM 0 H SER A 32 22.457 -1.432 -0.163 1.00 0.34 H new ATOM 0 HA SER A 32 22.729 -3.340 1.837 1.00 0.37 H new ATOM 0 HB2 SER A 32 24.200 -1.320 1.300 1.00 0.45 H new ATOM 0 HB3 SER A 32 23.002 -0.306 2.079 1.00 0.45 H new ATOM 0 HG SER A 32 24.710 -0.914 3.522 1.00 1.33 H new ATOM 511 N GLU A 33 20.545 -0.989 2.539 1.00 0.32 N ATOM 512 CA GLU A 33 19.490 -0.570 3.419 1.00 0.35 C ATOM 513 C GLU A 33 18.136 -1.093 2.975 1.00 0.30 C ATOM 514 O GLU A 33 17.221 -1.224 3.786 1.00 0.32 O ATOM 515 CB GLU A 33 19.583 0.925 3.475 1.00 0.45 C ATOM 516 CG GLU A 33 20.908 1.296 4.100 1.00 0.59 C ATOM 517 CD GLU A 33 21.226 2.755 4.107 1.00 1.50 C ATOM 518 OE1 GLU A 33 20.769 3.483 3.216 1.00 2.15 O ATOM 519 OE2 GLU A 33 21.982 3.160 5.007 1.00 2.32 O ATOM 0 H GLU A 33 20.769 -0.309 1.813 1.00 0.32 H new ATOM 0 HA GLU A 33 19.600 -0.987 4.420 1.00 0.35 H new ATOM 0 HB2 GLU A 33 19.504 1.348 2.473 1.00 0.45 H new ATOM 0 HB3 GLU A 33 18.760 1.335 4.060 1.00 0.45 H new ATOM 0 HG2 GLU A 33 20.920 0.934 5.128 1.00 0.59 H new ATOM 0 HG3 GLU A 33 21.701 0.771 3.568 1.00 0.59 H new ATOM 526 N LEU A 34 18.014 -1.386 1.689 1.00 0.30 N ATOM 527 CA LEU A 34 16.904 -2.174 1.192 1.00 0.33 C ATOM 528 C LEU A 34 16.879 -3.500 1.944 1.00 0.29 C ATOM 529 O LEU A 34 15.843 -3.923 2.447 1.00 0.30 O ATOM 530 CB LEU A 34 17.067 -2.415 -0.310 1.00 0.50 C ATOM 531 CG LEU A 34 15.956 -3.236 -0.969 1.00 0.51 C ATOM 532 CD1 LEU A 34 14.669 -2.434 -0.984 1.00 1.01 C ATOM 533 CD2 LEU A 34 16.351 -3.661 -2.382 1.00 0.55 C ATOM 0 H LEU A 34 18.674 -1.087 0.971 1.00 0.30 H new ATOM 0 HA LEU A 34 15.965 -1.644 1.352 1.00 0.33 H new ATOM 0 HB2 LEU A 34 17.127 -1.449 -0.811 1.00 0.50 H new ATOM 0 HB3 LEU A 34 18.018 -2.921 -0.478 1.00 0.50 H new ATOM 0 HG LEU A 34 15.799 -4.144 -0.387 1.00 0.51 H new ATOM 0 HD11 LEU A 34 13.880 -3.021 -1.454 1.00 1.01 H new ATOM 0 HD12 LEU A 34 14.380 -2.190 0.038 1.00 1.01 H new ATOM 0 HD13 LEU A 34 14.821 -1.513 -1.547 1.00 1.01 H new ATOM 0 HD21 LEU A 34 15.543 -4.243 -2.826 1.00 0.55 H new ATOM 0 HD22 LEU A 34 16.537 -2.775 -2.990 1.00 0.55 H new ATOM 0 HD23 LEU A 34 17.255 -4.269 -2.340 1.00 0.55 H new ATOM 545 N LYS A 35 18.048 -4.133 2.027 1.00 0.29 N ATOM 546 CA LYS A 35 18.222 -5.342 2.822 1.00 0.29 C ATOM 547 C LYS A 35 17.762 -5.148 4.255 1.00 0.29 C ATOM 548 O LYS A 35 16.889 -5.870 4.738 1.00 0.31 O ATOM 549 CB LYS A 35 19.687 -5.766 2.840 1.00 0.32 C ATOM 550 CG LYS A 35 20.144 -6.450 1.573 1.00 0.39 C ATOM 551 CD LYS A 35 21.605 -6.846 1.657 1.00 0.52 C ATOM 552 CE LYS A 35 22.017 -7.707 0.478 1.00 0.70 C ATOM 553 NZ LYS A 35 22.008 -6.944 -0.798 1.00 1.29 N ATOM 0 H LYS A 35 18.894 -3.823 1.548 1.00 0.29 H new ATOM 0 HA LYS A 35 17.611 -6.114 2.355 1.00 0.29 H new ATOM 0 HB2 LYS A 35 20.307 -4.886 3.010 1.00 0.32 H new ATOM 0 HB3 LYS A 35 19.850 -6.438 3.683 1.00 0.32 H new ATOM 0 HG2 LYS A 35 19.534 -7.336 1.395 1.00 0.39 H new ATOM 0 HG3 LYS A 35 19.994 -5.784 0.723 1.00 0.39 H new ATOM 0 HD2 LYS A 35 22.225 -5.950 1.688 1.00 0.52 H new ATOM 0 HD3 LYS A 35 21.783 -7.389 2.585 1.00 0.52 H new ATOM 0 HE2 LYS A 35 23.015 -8.109 0.653 1.00 0.70 H new ATOM 0 HE3 LYS A 35 21.341 -8.558 0.397 1.00 0.70 H new ATOM 0 HZ1 LYS A 35 22.295 -7.569 -1.578 1.00 1.29 H new ATOM 0 HZ2 LYS A 35 21.050 -6.582 -0.979 1.00 1.29 H new ATOM 0 HZ3 LYS A 35 22.672 -6.147 -0.730 1.00 1.29 H new ATOM 567 N GLU A 36 18.360 -4.176 4.931 1.00 0.29 N ATOM 568 CA GLU A 36 18.094 -3.958 6.342 1.00 0.32 C ATOM 569 C GLU A 36 16.629 -3.675 6.582 1.00 0.31 C ATOM 570 O GLU A 36 16.021 -4.253 7.472 1.00 0.39 O ATOM 571 CB GLU A 36 18.932 -2.809 6.880 1.00 0.36 C ATOM 572 CG GLU A 36 20.403 -2.973 6.590 1.00 0.37 C ATOM 573 CD GLU A 36 21.243 -1.872 7.206 1.00 0.51 C ATOM 574 OE1 GLU A 36 21.670 -2.027 8.369 1.00 1.14 O ATOM 575 OE2 GLU A 36 21.473 -0.844 6.539 1.00 1.31 O ATOM 0 H GLU A 36 19.033 -3.527 4.523 1.00 0.29 H new ATOM 0 HA GLU A 36 18.365 -4.872 6.871 1.00 0.32 H new ATOM 0 HB2 GLU A 36 18.582 -1.874 6.442 1.00 0.36 H new ATOM 0 HB3 GLU A 36 18.785 -2.731 7.957 1.00 0.36 H new ATOM 0 HG2 GLU A 36 20.739 -3.938 6.970 1.00 0.37 H new ATOM 0 HG3 GLU A 36 20.558 -2.983 5.511 1.00 0.37 H new ATOM 582 N LEU A 37 16.063 -2.794 5.785 1.00 0.27 N ATOM 583 CA LEU A 37 14.661 -2.464 5.913 1.00 0.26 C ATOM 584 C LEU A 37 13.800 -3.702 5.683 1.00 0.27 C ATOM 585 O LEU A 37 12.904 -3.986 6.459 1.00 0.31 O ATOM 586 CB LEU A 37 14.291 -1.356 4.925 1.00 0.24 C ATOM 587 CG LEU A 37 12.887 -0.777 5.089 1.00 0.31 C ATOM 588 CD1 LEU A 37 12.848 0.667 4.625 1.00 0.29 C ATOM 589 CD2 LEU A 37 11.881 -1.609 4.316 1.00 0.50 C ATOM 0 H LEU A 37 16.552 -2.294 5.042 1.00 0.27 H new ATOM 0 HA LEU A 37 14.474 -2.103 6.925 1.00 0.26 H new ATOM 0 HB2 LEU A 37 15.014 -0.546 5.025 1.00 0.24 H new ATOM 0 HB3 LEU A 37 14.389 -1.747 3.912 1.00 0.24 H new ATOM 0 HG LEU A 37 12.623 -0.805 6.146 1.00 0.31 H new ATOM 0 HD11 LEU A 37 11.840 1.062 4.750 1.00 0.29 H new ATOM 0 HD12 LEU A 37 13.545 1.259 5.218 1.00 0.29 H new ATOM 0 HD13 LEU A 37 13.131 0.719 3.574 1.00 0.29 H new ATOM 0 HD21 LEU A 37 10.885 -1.185 4.442 1.00 0.50 H new ATOM 0 HD22 LEU A 37 12.145 -1.609 3.258 1.00 0.50 H new ATOM 0 HD23 LEU A 37 11.890 -2.632 4.692 1.00 0.50 H new ATOM 601 N LEU A 38 14.082 -4.447 4.629 1.00 0.27 N ATOM 602 CA LEU A 38 13.309 -5.645 4.328 1.00 0.29 C ATOM 603 C LEU A 38 13.390 -6.659 5.466 1.00 0.31 C ATOM 604 O LEU A 38 12.376 -7.080 6.004 1.00 0.40 O ATOM 605 CB LEU A 38 13.790 -6.272 3.024 1.00 0.32 C ATOM 606 CG LEU A 38 12.957 -5.931 1.787 1.00 0.34 C ATOM 607 CD1 LEU A 38 11.555 -6.498 1.924 1.00 0.31 C ATOM 608 CD2 LEU A 38 12.899 -4.427 1.567 1.00 0.43 C ATOM 0 H LEU A 38 14.834 -4.248 3.970 1.00 0.27 H new ATOM 0 HA LEU A 38 12.265 -5.351 4.216 1.00 0.29 H new ATOM 0 HB2 LEU A 38 14.819 -5.958 2.847 1.00 0.32 H new ATOM 0 HB3 LEU A 38 13.804 -7.355 3.145 1.00 0.32 H new ATOM 0 HG LEU A 38 13.437 -6.383 0.919 1.00 0.34 H new ATOM 0 HD11 LEU A 38 10.973 -6.248 1.037 1.00 0.31 H new ATOM 0 HD12 LEU A 38 11.609 -7.582 2.029 1.00 0.31 H new ATOM 0 HD13 LEU A 38 11.075 -6.072 2.805 1.00 0.31 H new ATOM 0 HD21 LEU A 38 12.301 -4.212 0.682 1.00 0.43 H new ATOM 0 HD22 LEU A 38 12.446 -3.949 2.436 1.00 0.43 H new ATOM 0 HD23 LEU A 38 13.908 -4.041 1.426 1.00 0.43 H new ATOM 620 N THR A 39 14.602 -7.053 5.808 1.00 0.32 N ATOM 621 CA THR A 39 14.841 -7.958 6.927 1.00 0.33 C ATOM 622 C THR A 39 14.187 -7.490 8.234 1.00 0.34 C ATOM 623 O THR A 39 13.591 -8.285 8.963 1.00 0.38 O ATOM 624 CB THR A 39 16.351 -8.116 7.172 1.00 0.33 C ATOM 625 OG1 THR A 39 16.950 -6.840 7.423 1.00 0.32 O ATOM 626 CG2 THR A 39 17.030 -8.741 5.971 1.00 0.35 C ATOM 0 H THR A 39 15.449 -6.758 5.323 1.00 0.32 H new ATOM 0 HA THR A 39 14.388 -8.909 6.645 1.00 0.33 H new ATOM 0 HB THR A 39 16.480 -8.764 8.039 1.00 0.33 H new ATOM 0 HG1 THR A 39 16.945 -6.309 6.600 1.00 0.32 H new ATOM 0 HG21 THR A 39 18.097 -8.842 6.168 1.00 0.35 H new ATOM 0 HG22 THR A 39 16.601 -9.725 5.782 1.00 0.35 H new ATOM 0 HG23 THR A 39 16.881 -8.106 5.098 1.00 0.35 H new ATOM 634 N ARG A 40 14.307 -6.203 8.519 1.00 0.34 N ATOM 635 CA ARG A 40 13.949 -5.663 9.829 1.00 0.37 C ATOM 636 C ARG A 40 12.515 -5.141 9.906 1.00 0.40 C ATOM 637 O ARG A 40 11.822 -5.364 10.899 1.00 0.47 O ATOM 638 CB ARG A 40 14.942 -4.563 10.192 1.00 0.37 C ATOM 639 CG ARG A 40 16.255 -5.112 10.720 1.00 0.63 C ATOM 640 CD ARG A 40 17.325 -4.041 10.779 1.00 0.56 C ATOM 641 NE ARG A 40 18.642 -4.604 11.069 1.00 1.16 N ATOM 642 CZ ARG A 40 19.788 -4.031 10.712 1.00 1.51 C ATOM 643 NH1 ARG A 40 19.781 -2.836 10.137 1.00 1.62 N ATOM 644 NH2 ARG A 40 20.942 -4.642 10.949 1.00 2.31 N ATOM 0 H ARG A 40 14.651 -5.506 7.859 1.00 0.34 H new ATOM 0 HA ARG A 40 13.999 -6.482 10.547 1.00 0.37 H new ATOM 0 HB2 ARG A 40 15.137 -3.950 9.312 1.00 0.37 H new ATOM 0 HB3 ARG A 40 14.497 -3.911 10.943 1.00 0.37 H new ATOM 0 HG2 ARG A 40 16.102 -5.529 11.715 1.00 0.63 H new ATOM 0 HG3 ARG A 40 16.592 -5.928 10.081 1.00 0.63 H new ATOM 0 HD2 ARG A 40 17.359 -3.508 9.829 1.00 0.56 H new ATOM 0 HD3 ARG A 40 17.066 -3.310 11.545 1.00 0.56 H new ATOM 0 HE ARG A 40 18.685 -5.489 11.575 1.00 1.16 H new ATOM 0 HH11 ARG A 40 18.897 -2.356 9.969 1.00 1.62 H new ATOM 0 HH12 ARG A 40 20.660 -2.397 9.863 1.00 1.62 H new ATOM 0 HH21 ARG A 40 20.952 -5.554 11.406 1.00 2.31 H new ATOM 0 HH22 ARG A 40 21.819 -4.200 10.674 1.00 2.31 H new ATOM 658 N GLU A 41 12.080 -4.449 8.875 1.00 0.40 N ATOM 659 CA GLU A 41 10.759 -3.836 8.854 1.00 0.46 C ATOM 660 C GLU A 41 9.761 -4.766 8.190 1.00 0.54 C ATOM 661 O GLU A 41 8.564 -4.548 8.269 1.00 0.85 O ATOM 662 CB GLU A 41 10.819 -2.520 8.083 1.00 0.52 C ATOM 663 CG GLU A 41 12.033 -1.659 8.422 1.00 0.53 C ATOM 664 CD GLU A 41 12.162 -1.341 9.897 1.00 0.51 C ATOM 665 OE1 GLU A 41 11.613 -0.314 10.337 1.00 1.30 O ATOM 666 OE2 GLU A 41 12.840 -2.094 10.623 1.00 1.02 O ATOM 0 H GLU A 41 12.626 -4.293 8.028 1.00 0.40 H new ATOM 0 HA GLU A 41 10.440 -3.646 9.879 1.00 0.46 H new ATOM 0 HB2 GLU A 41 10.826 -2.736 7.015 1.00 0.52 H new ATOM 0 HB3 GLU A 41 9.913 -1.949 8.287 1.00 0.52 H new ATOM 0 HG2 GLU A 41 12.935 -2.172 8.090 1.00 0.53 H new ATOM 0 HG3 GLU A 41 11.973 -0.726 7.862 1.00 0.53 H new ATOM 673 N LEU A 42 10.264 -5.796 7.517 1.00 0.40 N ATOM 674 CA LEU A 42 9.400 -6.798 6.905 1.00 0.41 C ATOM 675 C LEU A 42 9.866 -8.230 7.204 1.00 0.37 C ATOM 676 O LEU A 42 10.069 -9.027 6.281 1.00 0.36 O ATOM 677 CB LEU A 42 9.327 -6.554 5.398 1.00 0.44 C ATOM 678 CG LEU A 42 8.553 -5.300 4.999 1.00 0.50 C ATOM 679 CD1 LEU A 42 8.879 -4.898 3.578 1.00 0.65 C ATOM 680 CD2 LEU A 42 7.061 -5.536 5.145 1.00 0.74 C ATOM 0 H LEU A 42 11.262 -5.958 7.382 1.00 0.40 H new ATOM 0 HA LEU A 42 8.406 -6.698 7.340 1.00 0.41 H new ATOM 0 HB2 LEU A 42 10.341 -6.481 5.005 1.00 0.44 H new ATOM 0 HB3 LEU A 42 8.863 -7.419 4.924 1.00 0.44 H new ATOM 0 HG LEU A 42 8.850 -4.489 5.663 1.00 0.50 H new ATOM 0 HD11 LEU A 42 8.316 -4.002 3.315 1.00 0.65 H new ATOM 0 HD12 LEU A 42 9.946 -4.694 3.493 1.00 0.65 H new ATOM 0 HD13 LEU A 42 8.610 -5.708 2.900 1.00 0.65 H new ATOM 0 HD21 LEU A 42 6.520 -4.634 4.857 1.00 0.74 H new ATOM 0 HD22 LEU A 42 6.758 -6.362 4.501 1.00 0.74 H new ATOM 0 HD23 LEU A 42 6.831 -5.782 6.182 1.00 0.74 H new ATOM 692 N PRO A 43 10.034 -8.579 8.503 1.00 0.40 N ATOM 693 CA PRO A 43 10.445 -9.921 8.933 1.00 0.44 C ATOM 694 C PRO A 43 9.661 -11.047 8.290 1.00 0.45 C ATOM 695 O PRO A 43 10.230 -12.049 7.877 1.00 0.49 O ATOM 696 CB PRO A 43 10.167 -9.914 10.428 1.00 0.51 C ATOM 697 CG PRO A 43 10.331 -8.497 10.835 1.00 0.48 C ATOM 698 CD PRO A 43 9.885 -7.671 9.660 1.00 0.44 C ATOM 0 HA PRO A 43 11.482 -10.107 8.652 1.00 0.44 H new ATOM 0 HB2 PRO A 43 9.162 -10.275 10.645 1.00 0.51 H new ATOM 0 HB3 PRO A 43 10.861 -10.562 10.963 1.00 0.51 H new ATOM 0 HG2 PRO A 43 9.732 -8.273 11.718 1.00 0.48 H new ATOM 0 HG3 PRO A 43 11.369 -8.283 11.091 1.00 0.48 H new ATOM 0 HD2 PRO A 43 8.853 -7.338 9.775 1.00 0.44 H new ATOM 0 HD3 PRO A 43 10.497 -6.777 9.546 1.00 0.44 H new ATOM 706 N SER A 44 8.358 -10.909 8.233 1.00 0.45 N ATOM 707 CA SER A 44 7.538 -11.936 7.638 1.00 0.47 C ATOM 708 C SER A 44 7.848 -12.053 6.151 1.00 0.44 C ATOM 709 O SER A 44 8.257 -13.116 5.676 1.00 0.45 O ATOM 710 CB SER A 44 6.066 -11.633 7.865 1.00 0.51 C ATOM 711 OG SER A 44 5.238 -12.663 7.353 1.00 0.59 O ATOM 0 H SER A 44 7.846 -10.102 8.589 1.00 0.45 H new ATOM 0 HA SER A 44 7.763 -12.891 8.112 1.00 0.47 H new ATOM 0 HB2 SER A 44 5.879 -11.511 8.932 1.00 0.51 H new ATOM 0 HB3 SER A 44 5.810 -10.688 7.387 1.00 0.51 H new ATOM 0 HG SER A 44 4.298 -12.439 7.516 1.00 0.59 H new ATOM 717 N PHE A 45 7.718 -10.932 5.441 1.00 0.42 N ATOM 718 CA PHE A 45 7.848 -10.929 3.991 1.00 0.41 C ATOM 719 C PHE A 45 9.217 -11.430 3.552 1.00 0.42 C ATOM 720 O PHE A 45 9.332 -12.455 2.884 1.00 0.46 O ATOM 721 CB PHE A 45 7.631 -9.531 3.410 1.00 0.45 C ATOM 722 CG PHE A 45 7.576 -9.562 1.907 1.00 1.06 C ATOM 723 CD1 PHE A 45 6.391 -9.854 1.250 1.00 1.81 C ATOM 724 CD2 PHE A 45 8.716 -9.342 1.152 1.00 1.83 C ATOM 725 CE1 PHE A 45 6.345 -9.917 -0.131 1.00 2.38 C ATOM 726 CE2 PHE A 45 8.676 -9.412 -0.227 1.00 2.38 C ATOM 727 CZ PHE A 45 7.489 -9.696 -0.868 1.00 2.41 C ATOM 0 H PHE A 45 7.523 -10.018 5.849 1.00 0.42 H new ATOM 0 HA PHE A 45 7.078 -11.601 3.613 1.00 0.41 H new ATOM 0 HB2 PHE A 45 6.703 -9.113 3.801 1.00 0.45 H new ATOM 0 HB3 PHE A 45 8.438 -8.872 3.732 1.00 0.45 H new ATOM 0 HD1 PHE A 45 5.493 -10.034 1.823 1.00 1.81 H new ATOM 0 HD2 PHE A 45 9.648 -9.113 1.648 1.00 1.83 H new ATOM 0 HE1 PHE A 45 5.414 -10.139 -0.631 1.00 2.38 H new ATOM 0 HE2 PHE A 45 9.574 -9.244 -0.803 1.00 2.38 H new ATOM 0 HZ PHE A 45 7.455 -9.745 -1.946 1.00 2.41 H new ATOM 737 N LEU A 46 10.253 -10.702 3.936 1.00 0.45 N ATOM 738 CA LEU A 46 11.589 -11.003 3.456 1.00 0.57 C ATOM 739 C LEU A 46 12.306 -11.950 4.390 1.00 0.65 C ATOM 740 O LEU A 46 13.139 -12.716 3.953 1.00 0.66 O ATOM 741 CB LEU A 46 12.411 -9.731 3.282 1.00 0.67 C ATOM 742 CG LEU A 46 13.143 -9.593 1.951 1.00 0.57 C ATOM 743 CD1 LEU A 46 14.475 -10.286 2.061 1.00 0.71 C ATOM 744 CD2 LEU A 46 12.324 -10.164 0.799 1.00 0.55 C ATOM 0 H LEU A 46 10.195 -9.907 4.572 1.00 0.45 H new ATOM 0 HA LEU A 46 11.481 -11.486 2.485 1.00 0.57 H new ATOM 0 HB2 LEU A 46 11.749 -8.873 3.402 1.00 0.67 H new ATOM 0 HB3 LEU A 46 13.145 -9.682 4.086 1.00 0.67 H new ATOM 0 HG LEU A 46 13.294 -8.536 1.734 1.00 0.57 H new ATOM 0 HD11 LEU A 46 15.011 -10.196 1.116 1.00 0.71 H new ATOM 0 HD12 LEU A 46 15.061 -9.824 2.856 1.00 0.71 H new ATOM 0 HD13 LEU A 46 14.319 -11.340 2.291 1.00 0.71 H new ATOM 0 HD21 LEU A 46 12.877 -10.048 -0.133 1.00 0.55 H new ATOM 0 HD22 LEU A 46 12.132 -11.222 0.978 1.00 0.55 H new ATOM 0 HD23 LEU A 46 11.376 -9.631 0.727 1.00 0.55 H new ATOM 756 N GLY A 47 11.984 -11.903 5.672 1.00 0.74 N ATOM 757 CA GLY A 47 12.625 -12.801 6.618 1.00 0.90 C ATOM 758 C GLY A 47 12.388 -14.252 6.257 1.00 0.89 C ATOM 759 O GLY A 47 13.196 -15.127 6.575 1.00 0.99 O ATOM 0 H GLY A 47 11.297 -11.266 6.076 1.00 0.74 H new ATOM 0 HA2 GLY A 47 13.696 -12.602 6.641 1.00 0.90 H new ATOM 0 HA3 GLY A 47 12.243 -12.608 7.620 1.00 0.90 H new ATOM 763 N LYS A 48 11.267 -14.503 5.588 1.00 0.79 N ATOM 764 CA LYS A 48 10.945 -15.832 5.095 1.00 0.82 C ATOM 765 C LYS A 48 11.817 -16.199 3.888 1.00 0.78 C ATOM 766 O LYS A 48 11.897 -17.364 3.502 1.00 0.87 O ATOM 767 CB LYS A 48 9.473 -15.871 4.697 1.00 0.82 C ATOM 768 CG LYS A 48 8.890 -17.266 4.570 1.00 1.08 C ATOM 769 CD LYS A 48 8.776 -17.947 5.920 1.00 1.51 C ATOM 770 CE LYS A 48 8.052 -19.273 5.804 1.00 2.27 C ATOM 771 NZ LYS A 48 8.820 -20.260 5.002 1.00 3.17 N ATOM 0 H LYS A 48 10.564 -13.796 5.375 1.00 0.79 H new ATOM 0 HA LYS A 48 11.140 -16.556 5.886 1.00 0.82 H new ATOM 0 HB2 LYS A 48 8.895 -15.316 5.436 1.00 0.82 H new ATOM 0 HB3 LYS A 48 9.354 -15.353 3.745 1.00 0.82 H new ATOM 0 HG2 LYS A 48 7.905 -17.209 4.106 1.00 1.08 H new ATOM 0 HG3 LYS A 48 9.518 -17.865 3.911 1.00 1.08 H new ATOM 0 HD2 LYS A 48 9.771 -18.108 6.335 1.00 1.51 H new ATOM 0 HD3 LYS A 48 8.243 -17.298 6.614 1.00 1.51 H new ATOM 0 HE2 LYS A 48 7.873 -19.677 6.801 1.00 2.27 H new ATOM 0 HE3 LYS A 48 7.076 -19.114 5.345 1.00 2.27 H new ATOM 0 HZ1 LYS A 48 8.339 -21.182 5.033 1.00 3.17 H new ATOM 0 HZ2 LYS A 48 8.881 -19.934 4.016 1.00 3.17 H new ATOM 0 HZ3 LYS A 48 9.778 -20.356 5.395 1.00 3.17 H new ATOM 785 N ARG A 49 12.475 -15.202 3.304 1.00 0.73 N ATOM 786 CA ARG A 49 13.231 -15.390 2.071 1.00 0.81 C ATOM 787 C ARG A 49 14.311 -14.303 1.933 1.00 0.74 C ATOM 788 O ARG A 49 14.295 -13.509 0.992 1.00 1.00 O ATOM 789 CB ARG A 49 12.254 -15.337 0.883 1.00 0.95 C ATOM 790 CG ARG A 49 12.657 -16.173 -0.327 1.00 1.17 C ATOM 791 CD ARG A 49 13.871 -15.611 -1.043 1.00 1.02 C ATOM 792 NE ARG A 49 14.137 -16.306 -2.303 1.00 1.61 N ATOM 793 CZ ARG A 49 15.298 -16.876 -2.619 1.00 1.87 C ATOM 794 NH1 ARG A 49 16.283 -16.933 -1.734 1.00 2.14 N ATOM 795 NH2 ARG A 49 15.463 -17.414 -3.820 1.00 2.50 N ATOM 0 H ARG A 49 12.499 -14.250 3.668 1.00 0.73 H new ATOM 0 HA ARG A 49 13.733 -16.357 2.089 1.00 0.81 H new ATOM 0 HB2 ARG A 49 11.274 -15.670 1.224 1.00 0.95 H new ATOM 0 HB3 ARG A 49 12.146 -14.299 0.568 1.00 0.95 H new ATOM 0 HG2 ARG A 49 12.868 -17.193 -0.006 1.00 1.17 H new ATOM 0 HG3 ARG A 49 11.820 -16.225 -1.024 1.00 1.17 H new ATOM 0 HD2 ARG A 49 13.716 -14.550 -1.240 1.00 1.02 H new ATOM 0 HD3 ARG A 49 14.743 -15.691 -0.394 1.00 1.02 H new ATOM 0 HE ARG A 49 13.381 -16.357 -2.986 1.00 1.61 H new ATOM 0 HH11 ARG A 49 16.155 -16.538 -0.802 1.00 2.14 H new ATOM 0 HH12 ARG A 49 17.169 -17.372 -1.985 1.00 2.14 H new ATOM 0 HH21 ARG A 49 14.702 -17.390 -4.498 1.00 2.50 H new ATOM 0 HH22 ARG A 49 16.351 -17.851 -4.065 1.00 2.50 H new ATOM 809 N THR A 50 15.240 -14.255 2.882 1.00 0.76 N ATOM 810 CA THR A 50 16.303 -13.260 2.854 1.00 0.73 C ATOM 811 C THR A 50 17.504 -13.795 2.083 1.00 0.82 C ATOM 812 O THR A 50 18.130 -14.771 2.504 1.00 1.33 O ATOM 813 CB THR A 50 16.775 -12.879 4.267 1.00 0.74 C ATOM 814 OG1 THR A 50 16.941 -14.058 5.066 1.00 0.84 O ATOM 815 CG2 THR A 50 15.792 -11.935 4.930 1.00 0.63 C ATOM 0 H THR A 50 15.277 -14.892 3.678 1.00 0.76 H new ATOM 0 HA THR A 50 15.892 -12.375 2.368 1.00 0.73 H new ATOM 0 HB THR A 50 17.734 -12.368 4.180 1.00 0.74 H new ATOM 0 HG1 THR A 50 17.378 -14.755 4.534 1.00 0.84 H new ATOM 0 HG21 THR A 50 16.149 -11.681 5.928 1.00 0.63 H new ATOM 0 HG22 THR A 50 15.702 -11.027 4.334 1.00 0.63 H new ATOM 0 HG23 THR A 50 14.818 -12.418 5.005 1.00 0.63 H new ATOM 823 N ASP A 51 17.825 -13.173 0.963 1.00 0.57 N ATOM 824 CA ASP A 51 18.957 -13.612 0.160 1.00 0.62 C ATOM 825 C ASP A 51 19.413 -12.489 -0.751 1.00 0.58 C ATOM 826 O ASP A 51 18.580 -11.710 -1.207 1.00 0.55 O ATOM 827 CB ASP A 51 18.572 -14.838 -0.670 1.00 0.69 C ATOM 828 CG ASP A 51 19.749 -15.451 -1.397 1.00 1.26 C ATOM 829 OD1 ASP A 51 20.427 -16.317 -0.807 1.00 2.01 O ATOM 830 OD2 ASP A 51 19.998 -15.079 -2.561 1.00 1.78 O ATOM 0 H ASP A 51 17.323 -12.368 0.589 1.00 0.57 H new ATOM 0 HA ASP A 51 19.777 -13.883 0.826 1.00 0.62 H new ATOM 0 HB2 ASP A 51 18.125 -15.587 -0.016 1.00 0.69 H new ATOM 0 HB3 ASP A 51 17.811 -14.554 -1.397 1.00 0.69 H new ATOM 835 N GLU A 52 20.712 -12.385 -1.003 1.00 0.67 N ATOM 836 CA GLU A 52 21.233 -11.318 -1.862 1.00 0.71 C ATOM 837 C GLU A 52 20.498 -11.293 -3.190 1.00 0.67 C ATOM 838 O GLU A 52 20.099 -10.230 -3.664 1.00 0.63 O ATOM 839 CB GLU A 52 22.729 -11.479 -2.124 1.00 0.87 C ATOM 840 CG GLU A 52 23.573 -11.484 -0.867 1.00 0.95 C ATOM 841 CD GLU A 52 25.054 -11.484 -1.172 1.00 1.31 C ATOM 842 OE1 GLU A 52 25.626 -10.390 -1.354 1.00 1.81 O ATOM 843 OE2 GLU A 52 25.652 -12.577 -1.243 1.00 1.91 O ATOM 0 H GLU A 52 21.421 -13.017 -0.631 1.00 0.67 H new ATOM 0 HA GLU A 52 21.072 -10.379 -1.333 1.00 0.71 H new ATOM 0 HB2 GLU A 52 22.895 -12.410 -2.666 1.00 0.87 H new ATOM 0 HB3 GLU A 52 23.064 -10.669 -2.772 1.00 0.87 H new ATOM 0 HG2 GLU A 52 23.328 -10.610 -0.264 1.00 0.95 H new ATOM 0 HG3 GLU A 52 23.327 -12.362 -0.270 1.00 0.95 H new ATOM 850 N ALA A 53 20.298 -12.470 -3.767 1.00 0.71 N ATOM 851 CA ALA A 53 19.603 -12.589 -5.040 1.00 0.76 C ATOM 852 C ALA A 53 18.134 -12.210 -4.885 1.00 0.66 C ATOM 853 O ALA A 53 17.541 -11.615 -5.781 1.00 0.69 O ATOM 854 CB ALA A 53 19.738 -13.997 -5.593 1.00 0.91 C ATOM 0 H ALA A 53 20.608 -13.358 -3.372 1.00 0.71 H new ATOM 0 HA ALA A 53 20.062 -11.899 -5.748 1.00 0.76 H new ATOM 0 HB1 ALA A 53 19.212 -14.066 -6.545 1.00 0.91 H new ATOM 0 HB2 ALA A 53 20.792 -14.229 -5.743 1.00 0.91 H new ATOM 0 HB3 ALA A 53 19.307 -14.708 -4.888 1.00 0.91 H new ATOM 860 N ALA A 54 17.559 -12.538 -3.736 1.00 0.60 N ATOM 861 CA ALA A 54 16.180 -12.166 -3.440 1.00 0.59 C ATOM 862 C ALA A 54 16.048 -10.648 -3.389 1.00 0.48 C ATOM 863 O ALA A 54 15.179 -10.073 -4.038 1.00 0.46 O ATOM 864 CB ALA A 54 15.721 -12.787 -2.130 1.00 0.64 C ATOM 0 H ALA A 54 18.024 -13.060 -2.994 1.00 0.60 H new ATOM 0 HA ALA A 54 15.540 -12.548 -4.235 1.00 0.59 H new ATOM 0 HB1 ALA A 54 14.690 -12.495 -1.931 1.00 0.64 H new ATOM 0 HB2 ALA A 54 15.784 -13.873 -2.200 1.00 0.64 H new ATOM 0 HB3 ALA A 54 16.360 -12.439 -1.319 1.00 0.64 H new ATOM 870 N PHE A 55 16.929 -10.009 -2.621 1.00 0.46 N ATOM 871 CA PHE A 55 17.004 -8.550 -2.575 1.00 0.42 C ATOM 872 C PHE A 55 17.268 -7.975 -3.961 1.00 0.44 C ATOM 873 O PHE A 55 16.774 -6.912 -4.305 1.00 0.45 O ATOM 874 CB PHE A 55 18.124 -8.096 -1.644 1.00 0.44 C ATOM 875 CG PHE A 55 17.889 -8.399 -0.195 1.00 1.06 C ATOM 876 CD1 PHE A 55 16.915 -7.727 0.522 1.00 1.98 C ATOM 877 CD2 PHE A 55 18.658 -9.348 0.456 1.00 1.87 C ATOM 878 CE1 PHE A 55 16.715 -8.000 1.860 1.00 2.77 C ATOM 879 CE2 PHE A 55 18.461 -9.627 1.791 1.00 2.70 C ATOM 880 CZ PHE A 55 17.490 -8.952 2.495 1.00 2.95 C ATOM 0 H PHE A 55 17.604 -10.482 -2.020 1.00 0.46 H new ATOM 0 HA PHE A 55 16.045 -8.188 -2.204 1.00 0.42 H new ATOM 0 HB2 PHE A 55 19.054 -8.572 -1.956 1.00 0.44 H new ATOM 0 HB3 PHE A 55 18.262 -7.021 -1.760 1.00 0.44 H new ATOM 0 HD1 PHE A 55 16.306 -6.983 0.031 1.00 1.98 H new ATOM 0 HD2 PHE A 55 19.424 -9.878 -0.091 1.00 1.87 H new ATOM 0 HE1 PHE A 55 15.953 -7.469 2.411 1.00 2.77 H new ATOM 0 HE2 PHE A 55 19.067 -10.373 2.283 1.00 2.70 H new ATOM 0 HZ PHE A 55 17.334 -9.166 3.542 1.00 2.95 H new ATOM 890 N GLN A 56 18.076 -8.681 -4.729 1.00 0.49 N ATOM 891 CA GLN A 56 18.419 -8.292 -6.091 1.00 0.54 C ATOM 892 C GLN A 56 17.175 -8.258 -6.974 1.00 0.53 C ATOM 893 O GLN A 56 16.918 -7.265 -7.658 1.00 0.57 O ATOM 894 CB GLN A 56 19.448 -9.288 -6.626 1.00 0.62 C ATOM 895 CG GLN A 56 19.750 -9.183 -8.106 1.00 0.76 C ATOM 896 CD GLN A 56 20.348 -7.854 -8.509 1.00 0.98 C ATOM 897 OE1 GLN A 56 21.555 -7.650 -8.421 1.00 1.69 O ATOM 898 NE2 GLN A 56 19.514 -6.955 -8.991 1.00 0.87 N ATOM 0 H GLN A 56 18.518 -9.549 -4.426 1.00 0.49 H new ATOM 0 HA GLN A 56 18.842 -7.288 -6.098 1.00 0.54 H new ATOM 0 HB2 GLN A 56 20.378 -9.155 -6.073 1.00 0.62 H new ATOM 0 HB3 GLN A 56 19.094 -10.297 -6.416 1.00 0.62 H new ATOM 0 HG2 GLN A 56 20.438 -9.981 -8.385 1.00 0.76 H new ATOM 0 HG3 GLN A 56 18.830 -9.344 -8.668 1.00 0.76 H new ATOM 0 HE21 GLN A 56 18.517 -7.163 -9.048 1.00 0.87 H new ATOM 0 HE22 GLN A 56 19.865 -6.051 -9.307 1.00 0.87 H new ATOM 907 N LYS A 57 16.404 -9.338 -6.948 1.00 0.51 N ATOM 908 CA LYS A 57 15.165 -9.402 -7.710 1.00 0.52 C ATOM 909 C LYS A 57 14.155 -8.395 -7.181 1.00 0.48 C ATOM 910 O LYS A 57 13.546 -7.658 -7.954 1.00 0.48 O ATOM 911 CB LYS A 57 14.569 -10.813 -7.682 1.00 0.55 C ATOM 912 CG LYS A 57 14.826 -11.609 -8.956 1.00 0.76 C ATOM 913 CD LYS A 57 16.299 -11.944 -9.141 1.00 1.01 C ATOM 914 CE LYS A 57 16.742 -13.082 -8.232 1.00 0.87 C ATOM 915 NZ LYS A 57 15.980 -14.333 -8.481 1.00 1.60 N ATOM 0 H LYS A 57 16.614 -10.178 -6.409 1.00 0.51 H new ATOM 0 HA LYS A 57 15.400 -9.152 -8.745 1.00 0.52 H new ATOM 0 HB2 LYS A 57 14.984 -11.357 -6.834 1.00 0.55 H new ATOM 0 HB3 LYS A 57 13.494 -10.741 -7.519 1.00 0.55 H new ATOM 0 HG2 LYS A 57 14.247 -12.532 -8.928 1.00 0.76 H new ATOM 0 HG3 LYS A 57 14.475 -11.038 -9.816 1.00 0.76 H new ATOM 0 HD2 LYS A 57 16.481 -12.218 -10.180 1.00 1.01 H new ATOM 0 HD3 LYS A 57 16.901 -11.059 -8.934 1.00 1.01 H new ATOM 0 HE2 LYS A 57 17.805 -13.271 -8.382 1.00 0.87 H new ATOM 0 HE3 LYS A 57 16.615 -12.783 -7.191 1.00 0.87 H new ATOM 0 HZ1 LYS A 57 16.536 -15.149 -8.155 1.00 1.60 H new ATOM 0 HZ2 LYS A 57 15.079 -14.299 -7.964 1.00 1.60 H new ATOM 0 HZ3 LYS A 57 15.791 -14.428 -9.499 1.00 1.60 H new ATOM 929 N LEU A 58 14.000 -8.349 -5.863 1.00 0.46 N ATOM 930 CA LEU A 58 13.074 -7.420 -5.231 1.00 0.43 C ATOM 931 C LEU A 58 13.414 -5.992 -5.608 1.00 0.43 C ATOM 932 O LEU A 58 12.534 -5.201 -5.935 1.00 0.42 O ATOM 933 CB LEU A 58 13.123 -7.560 -3.714 1.00 0.43 C ATOM 934 CG LEU A 58 11.961 -6.907 -2.982 1.00 0.39 C ATOM 935 CD1 LEU A 58 10.646 -7.517 -3.436 1.00 0.40 C ATOM 936 CD2 LEU A 58 12.134 -7.050 -1.484 1.00 0.41 C ATOM 0 H LEU A 58 14.506 -8.947 -5.210 1.00 0.46 H new ATOM 0 HA LEU A 58 12.070 -7.659 -5.582 1.00 0.43 H new ATOM 0 HB2 LEU A 58 13.146 -8.620 -3.460 1.00 0.43 H new ATOM 0 HB3 LEU A 58 14.054 -7.125 -3.352 1.00 0.43 H new ATOM 0 HG LEU A 58 11.946 -5.844 -3.222 1.00 0.39 H new ATOM 0 HD11 LEU A 58 9.822 -7.041 -2.905 1.00 0.40 H new ATOM 0 HD12 LEU A 58 10.524 -7.362 -4.508 1.00 0.40 H new ATOM 0 HD13 LEU A 58 10.647 -8.586 -3.221 1.00 0.40 H new ATOM 0 HD21 LEU A 58 11.294 -6.578 -0.974 1.00 0.41 H new ATOM 0 HD22 LEU A 58 12.170 -8.107 -1.221 1.00 0.41 H new ATOM 0 HD23 LEU A 58 13.062 -6.568 -1.177 1.00 0.41 H new ATOM 948 N MET A 59 14.697 -5.677 -5.550 1.00 0.46 N ATOM 949 CA MET A 59 15.199 -4.385 -5.972 1.00 0.48 C ATOM 950 C MET A 59 14.670 -4.055 -7.352 1.00 0.48 C ATOM 951 O MET A 59 13.932 -3.103 -7.518 1.00 0.49 O ATOM 952 CB MET A 59 16.721 -4.402 -5.996 1.00 0.54 C ATOM 953 CG MET A 59 17.335 -3.126 -6.524 1.00 0.57 C ATOM 954 SD MET A 59 18.842 -3.444 -7.447 1.00 1.64 S ATOM 955 CE MET A 59 18.158 -4.158 -8.941 1.00 2.39 C ATOM 0 H MET A 59 15.419 -6.312 -5.208 1.00 0.46 H new ATOM 0 HA MET A 59 14.862 -3.625 -5.267 1.00 0.48 H new ATOM 0 HB2 MET A 59 17.089 -4.581 -4.986 1.00 0.54 H new ATOM 0 HB3 MET A 59 17.056 -5.237 -6.610 1.00 0.54 H new ATOM 0 HG2 MET A 59 16.617 -2.615 -7.165 1.00 0.57 H new ATOM 0 HG3 MET A 59 17.553 -2.456 -5.692 1.00 0.57 H new ATOM 0 HE1 MET A 59 18.946 -4.266 -9.687 1.00 2.39 H new ATOM 0 HE2 MET A 59 17.735 -5.137 -8.716 1.00 2.39 H new ATOM 0 HE3 MET A 59 17.376 -3.506 -9.331 1.00 2.39 H new ATOM 965 N SER A 60 14.997 -4.896 -8.319 1.00 0.50 N ATOM 966 CA SER A 60 14.591 -4.672 -9.702 1.00 0.53 C ATOM 967 C SER A 60 13.069 -4.590 -9.836 1.00 0.52 C ATOM 968 O SER A 60 12.552 -4.002 -10.787 1.00 0.56 O ATOM 969 CB SER A 60 15.165 -5.765 -10.611 1.00 0.56 C ATOM 970 OG SER A 60 15.039 -7.053 -10.032 1.00 1.35 O ATOM 0 H SER A 60 15.545 -5.744 -8.174 1.00 0.50 H new ATOM 0 HA SER A 60 14.995 -3.711 -10.019 1.00 0.53 H new ATOM 0 HB2 SER A 60 14.650 -5.746 -11.571 1.00 0.56 H new ATOM 0 HB3 SER A 60 16.216 -5.557 -10.809 1.00 0.56 H new ATOM 0 HG SER A 60 14.261 -7.069 -9.437 1.00 1.35 H new ATOM 976 N ASN A 61 12.357 -5.183 -8.884 1.00 0.49 N ATOM 977 CA ASN A 61 10.904 -5.152 -8.894 1.00 0.51 C ATOM 978 C ASN A 61 10.384 -3.776 -8.512 1.00 0.50 C ATOM 979 O ASN A 61 9.553 -3.191 -9.208 1.00 0.57 O ATOM 980 CB ASN A 61 10.317 -6.182 -7.920 1.00 0.49 C ATOM 981 CG ASN A 61 10.536 -7.614 -8.354 1.00 0.58 C ATOM 982 OD1 ASN A 61 10.606 -7.907 -9.545 1.00 0.80 O ATOM 983 ND2 ASN A 61 10.639 -8.521 -7.394 1.00 0.58 N ATOM 0 H ASN A 61 12.764 -5.690 -8.098 1.00 0.49 H new ATOM 0 HA ASN A 61 10.591 -5.394 -9.910 1.00 0.51 H new ATOM 0 HB2 ASN A 61 10.764 -6.036 -6.936 1.00 0.49 H new ATOM 0 HB3 ASN A 61 9.247 -6.002 -7.814 1.00 0.49 H new ATOM 0 HD21 ASN A 61 10.782 -9.502 -7.633 1.00 0.58 H new ATOM 0 HD22 ASN A 61 10.576 -8.238 -6.416 1.00 0.58 H new ATOM 990 N LEU A 62 10.880 -3.274 -7.398 1.00 0.44 N ATOM 991 CA LEU A 62 10.383 -2.035 -6.824 1.00 0.44 C ATOM 992 C LEU A 62 11.093 -0.852 -7.455 1.00 0.49 C ATOM 993 O LEU A 62 10.455 0.090 -7.921 1.00 0.55 O ATOM 994 CB LEU A 62 10.623 -2.037 -5.316 1.00 0.38 C ATOM 995 CG LEU A 62 10.601 -3.417 -4.659 1.00 0.35 C ATOM 996 CD1 LEU A 62 10.918 -3.310 -3.177 1.00 0.31 C ATOM 997 CD2 LEU A 62 9.266 -4.112 -4.891 1.00 0.35 C ATOM 0 H LEU A 62 11.634 -3.709 -6.867 1.00 0.44 H new ATOM 0 HA LEU A 62 9.314 -1.953 -7.019 1.00 0.44 H new ATOM 0 HB2 LEU A 62 11.588 -1.572 -5.117 1.00 0.38 H new ATOM 0 HB3 LEU A 62 9.865 -1.414 -4.842 1.00 0.38 H new ATOM 0 HG LEU A 62 11.374 -4.028 -5.124 1.00 0.35 H new ATOM 0 HD11 LEU A 62 10.897 -4.303 -2.728 1.00 0.31 H new ATOM 0 HD12 LEU A 62 11.908 -2.874 -3.047 1.00 0.31 H new ATOM 0 HD13 LEU A 62 10.176 -2.676 -2.691 1.00 0.31 H new ATOM 0 HD21 LEU A 62 9.278 -5.092 -4.413 1.00 0.35 H new ATOM 0 HD22 LEU A 62 8.463 -3.510 -4.465 1.00 0.35 H new ATOM 0 HD23 LEU A 62 9.100 -4.233 -5.961 1.00 0.35 H new ATOM 1009 N ASP A 63 12.418 -0.942 -7.459 1.00 0.48 N ATOM 1010 CA ASP A 63 13.309 0.039 -8.075 1.00 0.54 C ATOM 1011 C ASP A 63 13.012 0.135 -9.569 1.00 0.57 C ATOM 1012 O ASP A 63 13.679 -0.472 -10.398 1.00 0.63 O ATOM 1013 CB ASP A 63 14.763 -0.399 -7.796 1.00 0.56 C ATOM 1014 CG ASP A 63 15.843 0.318 -8.588 1.00 0.67 C ATOM 1015 OD1 ASP A 63 15.961 1.552 -8.487 1.00 1.34 O ATOM 1016 OD2 ASP A 63 16.627 -0.375 -9.277 1.00 1.24 O ATOM 0 H ASP A 63 12.917 -1.718 -7.024 1.00 0.48 H new ATOM 0 HA ASP A 63 13.156 1.033 -7.655 1.00 0.54 H new ATOM 0 HB2 ASP A 63 14.966 -0.258 -6.734 1.00 0.56 H new ATOM 0 HB3 ASP A 63 14.843 -1.467 -7.996 1.00 0.56 H new ATOM 1021 N SER A 64 11.969 0.877 -9.893 1.00 0.59 N ATOM 1022 CA SER A 64 11.518 1.036 -11.261 1.00 0.64 C ATOM 1023 C SER A 64 12.386 2.058 -11.968 1.00 0.66 C ATOM 1024 O SER A 64 12.505 2.062 -13.194 1.00 0.76 O ATOM 1025 CB SER A 64 10.055 1.474 -11.270 1.00 0.72 C ATOM 1026 OG SER A 64 9.263 0.606 -10.474 1.00 1.37 O ATOM 0 H SER A 64 11.409 1.388 -9.211 1.00 0.59 H new ATOM 0 HA SER A 64 11.601 0.085 -11.788 1.00 0.64 H new ATOM 0 HB2 SER A 64 9.974 2.494 -10.894 1.00 0.72 H new ATOM 0 HB3 SER A 64 9.679 1.480 -12.293 1.00 0.72 H new ATOM 0 HG SER A 64 9.621 0.581 -9.562 1.00 1.37 H new ATOM 1032 N ASN A 65 12.985 2.929 -11.171 1.00 0.63 N ATOM 1033 CA ASN A 65 13.937 3.905 -11.671 1.00 0.72 C ATOM 1034 C ASN A 65 15.255 3.208 -12.015 1.00 0.69 C ATOM 1035 O ASN A 65 16.115 3.755 -12.710 1.00 0.77 O ATOM 1036 CB ASN A 65 14.163 5.003 -10.627 1.00 0.79 C ATOM 1037 CG ASN A 65 15.079 4.540 -9.520 1.00 1.01 C ATOM 1038 OD1 ASN A 65 16.274 4.812 -9.542 1.00 1.65 O ATOM 1039 ND2 ASN A 65 14.535 3.839 -8.548 1.00 1.16 N ATOM 0 H ASN A 65 12.825 2.978 -10.165 1.00 0.63 H new ATOM 0 HA ASN A 65 13.539 4.368 -12.574 1.00 0.72 H new ATOM 0 HB2 ASN A 65 14.591 5.882 -11.110 1.00 0.79 H new ATOM 0 HB3 ASN A 65 13.205 5.306 -10.204 1.00 0.79 H new ATOM 0 HD21 ASN A 65 15.112 3.502 -7.778 1.00 1.16 H new ATOM 0 HD22 ASN A 65 13.536 3.633 -8.565 1.00 1.16 H new ATOM 1046 N ARG A 66 15.367 1.973 -11.503 1.00 0.60 N ATOM 1047 CA ARG A 66 16.477 1.062 -11.757 1.00 0.60 C ATOM 1048 C ARG A 66 17.838 1.701 -11.561 1.00 0.61 C ATOM 1049 O ARG A 66 18.757 1.498 -12.357 1.00 0.69 O ATOM 1050 CB ARG A 66 16.360 0.446 -13.136 1.00 0.67 C ATOM 1051 CG ARG A 66 15.189 -0.513 -13.268 1.00 0.71 C ATOM 1052 CD ARG A 66 15.358 -1.753 -12.390 1.00 0.71 C ATOM 1053 NE ARG A 66 14.428 -2.808 -12.785 1.00 0.78 N ATOM 1054 CZ ARG A 66 14.775 -3.910 -13.445 1.00 1.20 C ATOM 1055 NH1 ARG A 66 16.043 -4.132 -13.770 1.00 2.24 N ATOM 1056 NH2 ARG A 66 13.846 -4.795 -13.778 1.00 1.15 N ATOM 0 H ARG A 66 14.662 1.575 -10.882 1.00 0.60 H new ATOM 0 HA ARG A 66 16.404 0.273 -11.008 1.00 0.60 H new ATOM 0 HB2 ARG A 66 16.254 1.241 -13.874 1.00 0.67 H new ATOM 0 HB3 ARG A 66 17.283 -0.084 -13.369 1.00 0.67 H new ATOM 0 HG2 ARG A 66 14.268 0.001 -12.995 1.00 0.71 H new ATOM 0 HG3 ARG A 66 15.087 -0.818 -14.309 1.00 0.71 H new ATOM 0 HD2 ARG A 66 16.382 -2.119 -12.466 1.00 0.71 H new ATOM 0 HD3 ARG A 66 15.191 -1.489 -11.346 1.00 0.71 H new ATOM 0 HE ARG A 66 13.445 -2.692 -12.538 1.00 0.78 H new ATOM 0 HH11 ARG A 66 16.761 -3.455 -13.514 1.00 2.24 H new ATOM 0 HH12 ARG A 66 16.299 -4.980 -14.276 1.00 2.24 H new ATOM 0 HH21 ARG A 66 12.871 -4.629 -13.528 1.00 1.15 H new ATOM 0 HH22 ARG A 66 14.106 -5.642 -14.284 1.00 1.15 H new ATOM 1070 N ASP A 67 17.968 2.452 -10.486 1.00 0.58 N ATOM 1071 CA ASP A 67 19.258 3.000 -10.089 1.00 0.62 C ATOM 1072 C ASP A 67 19.776 2.173 -8.926 1.00 0.56 C ATOM 1073 O ASP A 67 20.845 2.431 -8.371 1.00 0.57 O ATOM 1074 CB ASP A 67 19.139 4.474 -9.695 1.00 0.70 C ATOM 1075 CG ASP A 67 20.477 5.182 -9.642 1.00 1.07 C ATOM 1076 OD1 ASP A 67 21.061 5.444 -10.713 1.00 1.72 O ATOM 1077 OD2 ASP A 67 20.943 5.502 -8.532 1.00 1.64 O ATOM 0 H ASP A 67 17.196 2.700 -9.867 1.00 0.58 H new ATOM 0 HA ASP A 67 19.953 2.953 -10.928 1.00 0.62 H new ATOM 0 HB2 ASP A 67 18.492 4.984 -10.409 1.00 0.70 H new ATOM 0 HB3 ASP A 67 18.657 4.546 -8.720 1.00 0.70 H new ATOM 1082 N ASN A 68 18.972 1.167 -8.581 1.00 0.53 N ATOM 1083 CA ASN A 68 19.287 0.187 -7.549 1.00 0.51 C ATOM 1084 C ASN A 68 19.104 0.777 -6.167 1.00 0.47 C ATOM 1085 O ASN A 68 19.757 0.375 -5.201 1.00 0.48 O ATOM 1086 CB ASN A 68 20.684 -0.404 -7.747 1.00 0.58 C ATOM 1087 CG ASN A 68 20.799 -1.113 -9.084 1.00 0.73 C ATOM 1088 OD1 ASN A 68 21.888 -1.257 -9.636 1.00 1.08 O ATOM 1089 ND2 ASN A 68 19.662 -1.527 -9.635 1.00 0.66 N ATOM 0 H ASN A 68 18.066 1.010 -9.022 1.00 0.53 H new ATOM 0 HA ASN A 68 18.582 -0.639 -7.641 1.00 0.51 H new ATOM 0 HB2 ASN A 68 21.429 0.390 -7.689 1.00 0.58 H new ATOM 0 HB3 ASN A 68 20.902 -1.105 -6.941 1.00 0.58 H new ATOM 0 HD21 ASN A 68 19.674 -1.982 -10.548 1.00 0.66 H new ATOM 0 HD22 ASN A 68 18.778 -1.389 -9.145 1.00 0.66 H new ATOM 1096 N GLU A 69 18.190 1.730 -6.096 1.00 0.46 N ATOM 1097 CA GLU A 69 17.734 2.279 -4.837 1.00 0.42 C ATOM 1098 C GLU A 69 16.226 2.459 -4.908 1.00 0.41 C ATOM 1099 O GLU A 69 15.724 3.221 -5.733 1.00 0.44 O ATOM 1100 CB GLU A 69 18.394 3.619 -4.518 1.00 0.46 C ATOM 1101 CG GLU A 69 19.912 3.610 -4.572 1.00 0.50 C ATOM 1102 CD GLU A 69 20.522 4.894 -4.045 1.00 0.65 C ATOM 1103 OE1 GLU A 69 20.646 5.865 -4.825 1.00 1.29 O ATOM 1104 OE2 GLU A 69 20.906 4.933 -2.855 1.00 1.31 O ATOM 0 H GLU A 69 17.744 2.144 -6.915 1.00 0.46 H new ATOM 0 HA GLU A 69 18.009 1.586 -4.042 1.00 0.42 H new ATOM 0 HB2 GLU A 69 18.024 4.367 -5.220 1.00 0.46 H new ATOM 0 HB3 GLU A 69 18.082 3.934 -3.522 1.00 0.46 H new ATOM 0 HG2 GLU A 69 20.288 2.768 -3.990 1.00 0.50 H new ATOM 0 HG3 GLU A 69 20.234 3.455 -5.602 1.00 0.50 H new ATOM 1111 N VAL A 70 15.518 1.754 -4.048 1.00 0.37 N ATOM 1112 CA VAL A 70 14.054 1.781 -4.045 1.00 0.36 C ATOM 1113 C VAL A 70 13.531 3.016 -3.334 1.00 0.35 C ATOM 1114 O VAL A 70 13.805 3.211 -2.163 1.00 0.36 O ATOM 1115 CB VAL A 70 13.471 0.534 -3.355 1.00 0.34 C ATOM 1116 CG1 VAL A 70 11.976 0.691 -3.124 1.00 0.34 C ATOM 1117 CG2 VAL A 70 13.749 -0.703 -4.181 1.00 0.37 C ATOM 0 H VAL A 70 15.928 1.150 -3.336 1.00 0.37 H new ATOM 0 HA VAL A 70 13.738 1.798 -5.088 1.00 0.36 H new ATOM 0 HB VAL A 70 13.956 0.424 -2.385 1.00 0.34 H new ATOM 0 HG11 VAL A 70 11.587 -0.203 -2.636 1.00 0.34 H new ATOM 0 HG12 VAL A 70 11.795 1.559 -2.490 1.00 0.34 H new ATOM 0 HG13 VAL A 70 11.473 0.829 -4.081 1.00 0.34 H new ATOM 0 HG21 VAL A 70 13.331 -1.576 -3.680 1.00 0.37 H new ATOM 0 HG22 VAL A 70 13.291 -0.594 -5.164 1.00 0.37 H new ATOM 0 HG23 VAL A 70 14.826 -0.831 -4.294 1.00 0.37 H new ATOM 1127 N ASP A 71 12.768 3.831 -4.037 1.00 0.38 N ATOM 1128 CA ASP A 71 12.254 5.075 -3.466 1.00 0.39 C ATOM 1129 C ASP A 71 10.988 4.813 -2.645 1.00 0.37 C ATOM 1130 O ASP A 71 10.429 3.721 -2.719 1.00 0.35 O ATOM 1131 CB ASP A 71 11.961 6.070 -4.583 1.00 0.45 C ATOM 1132 CG ASP A 71 12.045 7.513 -4.124 1.00 0.77 C ATOM 1133 OD1 ASP A 71 11.436 7.855 -3.094 1.00 1.35 O ATOM 1134 OD2 ASP A 71 12.728 8.319 -4.788 1.00 1.43 O ATOM 0 H ASP A 71 12.487 3.660 -5.003 1.00 0.38 H new ATOM 0 HA ASP A 71 13.010 5.493 -2.801 1.00 0.39 H new ATOM 0 HB2 ASP A 71 12.667 5.912 -5.398 1.00 0.45 H new ATOM 0 HB3 ASP A 71 10.965 5.878 -4.982 1.00 0.45 H new ATOM 1139 N PHE A 72 10.543 5.808 -1.866 1.00 0.41 N ATOM 1140 CA PHE A 72 9.356 5.666 -1.009 1.00 0.44 C ATOM 1141 C PHE A 72 8.201 5.087 -1.804 1.00 0.40 C ATOM 1142 O PHE A 72 7.576 4.113 -1.404 1.00 0.42 O ATOM 1143 CB PHE A 72 8.865 7.007 -0.461 1.00 0.54 C ATOM 1144 CG PHE A 72 9.798 7.783 0.417 1.00 0.94 C ATOM 1145 CD1 PHE A 72 10.854 8.490 -0.123 1.00 1.70 C ATOM 1146 CD2 PHE A 72 9.579 7.847 1.782 1.00 1.69 C ATOM 1147 CE1 PHE A 72 11.685 9.239 0.683 1.00 2.17 C ATOM 1148 CE2 PHE A 72 10.403 8.599 2.593 1.00 2.18 C ATOM 1149 CZ PHE A 72 11.460 9.296 2.042 1.00 2.15 C ATOM 0 H PHE A 72 10.989 6.724 -1.811 1.00 0.41 H new ATOM 0 HA PHE A 72 9.658 5.017 -0.187 1.00 0.44 H new ATOM 0 HB2 PHE A 72 8.599 7.639 -1.309 1.00 0.54 H new ATOM 0 HB3 PHE A 72 7.949 6.825 0.101 1.00 0.54 H new ATOM 0 HD1 PHE A 72 11.031 8.456 -1.188 1.00 1.70 H new ATOM 0 HD2 PHE A 72 8.754 7.302 2.217 1.00 1.69 H new ATOM 0 HE1 PHE A 72 12.512 9.781 0.250 1.00 2.17 H new ATOM 0 HE2 PHE A 72 10.222 8.643 3.657 1.00 2.18 H new ATOM 0 HZ PHE A 72 12.109 9.884 2.674 1.00 2.15 H new ATOM 1159 N GLN A 73 7.924 5.726 -2.931 1.00 0.38 N ATOM 1160 CA GLN A 73 6.826 5.330 -3.802 1.00 0.37 C ATOM 1161 C GLN A 73 6.990 3.891 -4.261 1.00 0.36 C ATOM 1162 O GLN A 73 6.045 3.106 -4.227 1.00 0.37 O ATOM 1163 CB GLN A 73 6.750 6.271 -5.010 1.00 0.41 C ATOM 1164 CG GLN A 73 5.719 5.865 -6.052 1.00 0.50 C ATOM 1165 CD GLN A 73 6.337 5.178 -7.256 1.00 0.42 C ATOM 1166 OE1 GLN A 73 6.696 5.829 -8.232 1.00 0.63 O ATOM 1167 NE2 GLN A 73 6.459 3.859 -7.205 1.00 0.41 N ATOM 0 H GLN A 73 8.452 6.531 -3.267 1.00 0.38 H new ATOM 0 HA GLN A 73 5.896 5.400 -3.238 1.00 0.37 H new ATOM 0 HB2 GLN A 73 6.519 7.277 -4.659 1.00 0.41 H new ATOM 0 HB3 GLN A 73 7.731 6.316 -5.484 1.00 0.41 H new ATOM 0 HG2 GLN A 73 4.990 5.197 -5.593 1.00 0.50 H new ATOM 0 HG3 GLN A 73 5.177 6.750 -6.384 1.00 0.50 H new ATOM 0 HE21 GLN A 73 6.150 3.350 -6.377 1.00 0.41 H new ATOM 0 HE22 GLN A 73 6.862 3.353 -7.994 1.00 0.41 H new ATOM 1176 N GLU A 74 8.194 3.550 -4.683 1.00 0.37 N ATOM 1177 CA GLU A 74 8.485 2.215 -5.175 1.00 0.40 C ATOM 1178 C GLU A 74 8.368 1.206 -4.037 1.00 0.38 C ATOM 1179 O GLU A 74 8.007 0.047 -4.242 1.00 0.41 O ATOM 1180 CB GLU A 74 9.883 2.192 -5.787 1.00 0.45 C ATOM 1181 CG GLU A 74 10.073 3.235 -6.878 1.00 0.59 C ATOM 1182 CD GLU A 74 11.478 3.245 -7.439 1.00 1.40 C ATOM 1183 OE1 GLU A 74 12.431 3.209 -6.643 1.00 2.18 O ATOM 1184 OE2 GLU A 74 11.631 3.279 -8.681 1.00 2.04 O ATOM 0 H GLU A 74 8.992 4.185 -4.695 1.00 0.37 H new ATOM 0 HA GLU A 74 7.765 1.941 -5.946 1.00 0.40 H new ATOM 0 HB2 GLU A 74 10.620 2.358 -5.001 1.00 0.45 H new ATOM 0 HB3 GLU A 74 10.076 1.202 -6.201 1.00 0.45 H new ATOM 0 HG2 GLU A 74 9.366 3.044 -7.685 1.00 0.59 H new ATOM 0 HG3 GLU A 74 9.840 4.221 -6.477 1.00 0.59 H new ATOM 1191 N TYR A 75 8.639 1.683 -2.834 1.00 0.34 N ATOM 1192 CA TYR A 75 8.542 0.877 -1.632 1.00 0.37 C ATOM 1193 C TYR A 75 7.072 0.697 -1.231 1.00 0.34 C ATOM 1194 O TYR A 75 6.670 -0.355 -0.736 1.00 0.34 O ATOM 1195 CB TYR A 75 9.334 1.557 -0.510 1.00 0.43 C ATOM 1196 CG TYR A 75 9.165 0.908 0.844 1.00 0.86 C ATOM 1197 CD1 TYR A 75 9.525 -0.415 1.050 1.00 1.50 C ATOM 1198 CD2 TYR A 75 8.642 1.622 1.915 1.00 1.72 C ATOM 1199 CE1 TYR A 75 9.370 -1.010 2.285 1.00 1.86 C ATOM 1200 CE2 TYR A 75 8.485 1.034 3.153 1.00 2.09 C ATOM 1201 CZ TYR A 75 8.850 -0.281 3.334 1.00 1.84 C ATOM 1202 OH TYR A 75 8.694 -0.872 4.568 1.00 2.33 O ATOM 0 H TYR A 75 8.934 2.645 -2.664 1.00 0.34 H new ATOM 0 HA TYR A 75 8.962 -0.112 -1.817 1.00 0.37 H new ATOM 0 HB2 TYR A 75 10.392 1.554 -0.773 1.00 0.43 H new ATOM 0 HB3 TYR A 75 9.025 2.600 -0.442 1.00 0.43 H new ATOM 0 HD1 TYR A 75 9.933 -0.989 0.231 1.00 1.50 H new ATOM 0 HD2 TYR A 75 8.354 2.654 1.776 1.00 1.72 H new ATOM 0 HE1 TYR A 75 9.655 -2.042 2.430 1.00 1.86 H new ATOM 0 HE2 TYR A 75 8.078 1.602 3.976 1.00 2.09 H new ATOM 0 HH TYR A 75 8.316 -0.222 5.197 1.00 2.33 H new ATOM 1212 N SER A 76 6.275 1.732 -1.461 1.00 0.35 N ATOM 1213 CA SER A 76 4.850 1.695 -1.165 1.00 0.37 C ATOM 1214 C SER A 76 4.130 0.785 -2.155 1.00 0.36 C ATOM 1215 O SER A 76 3.189 0.073 -1.793 1.00 0.41 O ATOM 1216 CB SER A 76 4.262 3.108 -1.213 1.00 0.41 C ATOM 1217 OG SER A 76 2.883 3.106 -0.886 1.00 1.21 O ATOM 0 H SER A 76 6.596 2.616 -1.856 1.00 0.35 H new ATOM 0 HA SER A 76 4.710 1.295 -0.161 1.00 0.37 H new ATOM 0 HB2 SER A 76 4.801 3.752 -0.518 1.00 0.41 H new ATOM 0 HB3 SER A 76 4.401 3.528 -2.209 1.00 0.41 H new ATOM 0 HG SER A 76 2.352 3.150 -1.708 1.00 1.21 H new ATOM 1223 N VAL A 77 4.594 0.796 -3.402 1.00 0.35 N ATOM 1224 CA VAL A 77 4.061 -0.091 -4.428 1.00 0.36 C ATOM 1225 C VAL A 77 4.372 -1.524 -4.035 1.00 0.33 C ATOM 1226 O VAL A 77 3.585 -2.442 -4.249 1.00 0.33 O ATOM 1227 CB VAL A 77 4.665 0.201 -5.821 1.00 0.40 C ATOM 1228 CG1 VAL A 77 4.255 -0.864 -6.828 1.00 0.43 C ATOM 1229 CG2 VAL A 77 4.239 1.574 -6.307 1.00 0.44 C ATOM 0 H VAL A 77 5.340 1.412 -3.725 1.00 0.35 H new ATOM 0 HA VAL A 77 2.986 0.073 -4.497 1.00 0.36 H new ATOM 0 HB VAL A 77 5.751 0.182 -5.728 1.00 0.40 H new ATOM 0 HG11 VAL A 77 4.693 -0.634 -7.799 1.00 0.43 H new ATOM 0 HG12 VAL A 77 4.609 -1.838 -6.491 1.00 0.43 H new ATOM 0 HG13 VAL A 77 3.169 -0.883 -6.916 1.00 0.43 H new ATOM 0 HG21 VAL A 77 4.673 1.763 -7.289 1.00 0.44 H new ATOM 0 HG22 VAL A 77 3.152 1.614 -6.377 1.00 0.44 H new ATOM 0 HG23 VAL A 77 4.586 2.332 -5.605 1.00 0.44 H new ATOM 1239 N PHE A 78 5.532 -1.677 -3.431 1.00 0.32 N ATOM 1240 CA PHE A 78 5.978 -2.947 -2.907 1.00 0.29 C ATOM 1241 C PHE A 78 5.039 -3.452 -1.817 1.00 0.27 C ATOM 1242 O PHE A 78 4.535 -4.570 -1.885 1.00 0.28 O ATOM 1243 CB PHE A 78 7.384 -2.778 -2.344 1.00 0.27 C ATOM 1244 CG PHE A 78 7.893 -3.974 -1.607 1.00 0.28 C ATOM 1245 CD1 PHE A 78 7.686 -5.253 -2.093 1.00 1.18 C ATOM 1246 CD2 PHE A 78 8.570 -3.815 -0.414 1.00 1.22 C ATOM 1247 CE1 PHE A 78 8.148 -6.348 -1.403 1.00 1.19 C ATOM 1248 CE2 PHE A 78 9.033 -4.905 0.280 1.00 1.24 C ATOM 1249 CZ PHE A 78 8.823 -6.174 -0.213 1.00 0.37 C ATOM 0 H PHE A 78 6.196 -0.916 -3.290 1.00 0.32 H new ATOM 0 HA PHE A 78 5.980 -3.682 -3.712 1.00 0.29 H new ATOM 0 HB2 PHE A 78 8.067 -2.551 -3.163 1.00 0.27 H new ATOM 0 HB3 PHE A 78 7.394 -1.919 -1.673 1.00 0.27 H new ATOM 0 HD1 PHE A 78 7.156 -5.392 -3.024 1.00 1.18 H new ATOM 0 HD2 PHE A 78 8.737 -2.822 -0.023 1.00 1.22 H new ATOM 0 HE1 PHE A 78 7.983 -7.342 -1.792 1.00 1.19 H new ATOM 0 HE2 PHE A 78 9.562 -4.768 1.212 1.00 1.24 H new ATOM 0 HZ PHE A 78 9.187 -7.032 0.332 1.00 0.37 H new ATOM 1259 N LEU A 79 4.808 -2.619 -0.817 1.00 0.27 N ATOM 1260 CA LEU A 79 3.995 -3.009 0.325 1.00 0.26 C ATOM 1261 C LEU A 79 2.552 -3.265 -0.078 1.00 0.31 C ATOM 1262 O LEU A 79 1.895 -4.151 0.470 1.00 0.33 O ATOM 1263 CB LEU A 79 4.063 -1.946 1.412 1.00 0.29 C ATOM 1264 CG LEU A 79 5.475 -1.603 1.882 1.00 0.29 C ATOM 1265 CD1 LEU A 79 5.415 -0.809 3.158 1.00 0.40 C ATOM 1266 CD2 LEU A 79 6.309 -2.855 2.080 1.00 0.30 C ATOM 0 H LEU A 79 5.172 -1.667 -0.772 1.00 0.27 H new ATOM 0 HA LEU A 79 4.399 -3.942 0.718 1.00 0.26 H new ATOM 0 HB2 LEU A 79 3.587 -1.038 1.043 1.00 0.29 H new ATOM 0 HB3 LEU A 79 3.482 -2.285 2.269 1.00 0.29 H new ATOM 0 HG LEU A 79 5.953 -1.002 1.109 1.00 0.29 H new ATOM 0 HD11 LEU A 79 6.427 -0.569 3.485 1.00 0.40 H new ATOM 0 HD12 LEU A 79 4.861 0.114 2.987 1.00 0.40 H new ATOM 0 HD13 LEU A 79 4.914 -1.395 3.928 1.00 0.40 H new ATOM 0 HD21 LEU A 79 7.309 -2.577 2.415 1.00 0.30 H new ATOM 0 HD22 LEU A 79 5.839 -3.491 2.830 1.00 0.30 H new ATOM 0 HD23 LEU A 79 6.380 -3.398 1.137 1.00 0.30 H new ATOM 1278 N SER A 80 2.055 -2.498 -1.034 1.00 0.36 N ATOM 1279 CA SER A 80 0.733 -2.760 -1.570 1.00 0.47 C ATOM 1280 C SER A 80 0.746 -4.054 -2.356 1.00 0.37 C ATOM 1281 O SER A 80 -0.175 -4.846 -2.249 1.00 0.38 O ATOM 1282 CB SER A 80 0.242 -1.610 -2.437 1.00 0.66 C ATOM 1283 OG SER A 80 1.273 -1.111 -3.269 1.00 0.84 O ATOM 0 H SER A 80 2.539 -1.702 -1.449 1.00 0.36 H new ATOM 0 HA SER A 80 0.039 -2.855 -0.735 1.00 0.47 H new ATOM 0 HB2 SER A 80 -0.592 -1.947 -3.052 1.00 0.66 H new ATOM 0 HB3 SER A 80 -0.134 -0.808 -1.801 1.00 0.66 H new ATOM 0 HG SER A 80 1.820 -0.473 -2.765 1.00 0.84 H new ATOM 1289 N SER A 81 1.809 -4.275 -3.125 1.00 0.33 N ATOM 1290 CA SER A 81 1.995 -5.535 -3.826 1.00 0.30 C ATOM 1291 C SER A 81 1.890 -6.690 -2.837 1.00 0.24 C ATOM 1292 O SER A 81 1.323 -7.727 -3.149 1.00 0.26 O ATOM 1293 CB SER A 81 3.354 -5.561 -4.541 1.00 0.37 C ATOM 1294 OG SER A 81 3.529 -6.760 -5.281 1.00 1.22 O ATOM 0 H SER A 81 2.554 -3.595 -3.276 1.00 0.33 H new ATOM 0 HA SER A 81 1.215 -5.639 -4.580 1.00 0.30 H new ATOM 0 HB2 SER A 81 3.431 -4.704 -5.211 1.00 0.37 H new ATOM 0 HB3 SER A 81 4.154 -5.465 -3.807 1.00 0.37 H new ATOM 0 HG SER A 81 4.402 -6.746 -5.726 1.00 1.22 H new ATOM 1300 N ILE A 82 2.415 -6.481 -1.633 1.00 0.23 N ATOM 1301 CA ILE A 82 2.312 -7.462 -0.560 1.00 0.23 C ATOM 1302 C ILE A 82 0.862 -7.685 -0.154 1.00 0.27 C ATOM 1303 O ILE A 82 0.363 -8.809 -0.171 1.00 0.30 O ATOM 1304 CB ILE A 82 3.086 -7.014 0.692 1.00 0.24 C ATOM 1305 CG1 ILE A 82 4.571 -6.834 0.368 1.00 0.21 C ATOM 1306 CG2 ILE A 82 2.876 -8.010 1.827 1.00 0.28 C ATOM 1307 CD1 ILE A 82 5.396 -6.386 1.552 1.00 0.23 C ATOM 0 H ILE A 82 2.920 -5.633 -1.376 1.00 0.23 H new ATOM 0 HA ILE A 82 2.740 -8.386 -0.949 1.00 0.23 H new ATOM 0 HB ILE A 82 2.701 -6.048 1.020 1.00 0.24 H new ATOM 0 HG12 ILE A 82 4.970 -7.777 -0.007 1.00 0.21 H new ATOM 0 HG13 ILE A 82 4.674 -6.103 -0.434 1.00 0.21 H new ATOM 0 HG21 ILE A 82 3.429 -7.681 2.707 1.00 0.28 H new ATOM 0 HG22 ILE A 82 1.814 -8.070 2.067 1.00 0.28 H new ATOM 0 HG23 ILE A 82 3.234 -8.993 1.520 1.00 0.28 H new ATOM 0 HD11 ILE A 82 6.438 -6.279 1.250 1.00 0.23 H new ATOM 0 HD12 ILE A 82 5.023 -5.428 1.914 1.00 0.23 H new ATOM 0 HD13 ILE A 82 5.323 -7.128 2.348 1.00 0.23 H new ATOM 1319 N ALA A 83 0.193 -6.610 0.225 1.00 0.30 N ATOM 1320 CA ALA A 83 -1.182 -6.700 0.688 1.00 0.36 C ATOM 1321 C ALA A 83 -2.097 -7.255 -0.406 1.00 0.37 C ATOM 1322 O ALA A 83 -3.046 -7.977 -0.118 1.00 0.42 O ATOM 1323 CB ALA A 83 -1.658 -5.339 1.181 1.00 0.40 C ATOM 0 H ALA A 83 0.578 -5.666 0.222 1.00 0.30 H new ATOM 0 HA ALA A 83 -1.224 -7.398 1.524 1.00 0.36 H new ATOM 0 HB1 ALA A 83 -2.689 -5.417 1.526 1.00 0.40 H new ATOM 0 HB2 ALA A 83 -1.024 -5.008 2.004 1.00 0.40 H new ATOM 0 HB3 ALA A 83 -1.601 -4.617 0.367 1.00 0.40 H new ATOM 1329 N MET A 84 -1.783 -6.946 -1.662 1.00 0.37 N ATOM 1330 CA MET A 84 -2.559 -7.440 -2.797 1.00 0.43 C ATOM 1331 C MET A 84 -2.245 -8.903 -3.077 1.00 0.34 C ATOM 1332 O MET A 84 -3.145 -9.698 -3.314 1.00 0.37 O ATOM 1333 CB MET A 84 -2.282 -6.621 -4.058 1.00 0.64 C ATOM 1334 CG MET A 84 -2.546 -5.140 -3.889 1.00 0.44 C ATOM 1335 SD MET A 84 -2.464 -4.225 -5.442 1.00 1.00 S ATOM 1336 CE MET A 84 -0.746 -4.448 -5.891 1.00 1.26 C ATOM 0 H MET A 84 -0.994 -6.354 -1.920 1.00 0.37 H new ATOM 0 HA MET A 84 -3.611 -7.340 -2.531 1.00 0.43 H new ATOM 0 HB2 MET A 84 -1.243 -6.765 -4.354 1.00 0.64 H new ATOM 0 HB3 MET A 84 -2.900 -7.001 -4.871 1.00 0.64 H new ATOM 0 HG2 MET A 84 -3.531 -5.001 -3.444 1.00 0.44 H new ATOM 0 HG3 MET A 84 -1.819 -4.725 -3.191 1.00 0.44 H new ATOM 0 HE1 MET A 84 -0.529 -3.878 -6.794 1.00 1.26 H new ATOM 0 HE2 MET A 84 -0.109 -4.097 -5.079 1.00 1.26 H new ATOM 0 HE3 MET A 84 -0.552 -5.505 -6.074 1.00 1.26 H new ATOM 1346 N MET A 85 -0.965 -9.257 -3.050 1.00 0.34 N ATOM 1347 CA MET A 85 -0.550 -10.631 -3.311 1.00 0.35 C ATOM 1348 C MET A 85 -1.083 -11.556 -2.219 1.00 0.35 C ATOM 1349 O MET A 85 -1.528 -12.673 -2.501 1.00 0.42 O ATOM 1350 CB MET A 85 0.979 -10.729 -3.428 1.00 0.39 C ATOM 1351 CG MET A 85 1.699 -10.510 -2.122 1.00 1.36 C ATOM 1352 SD MET A 85 2.100 -12.049 -1.266 1.00 2.66 S ATOM 1353 CE MET A 85 2.800 -11.419 0.257 1.00 3.35 C ATOM 0 H MET A 85 -0.199 -8.614 -2.851 1.00 0.34 H new ATOM 0 HA MET A 85 -0.972 -10.949 -4.265 1.00 0.35 H new ATOM 0 HB2 MET A 85 1.243 -11.712 -3.819 1.00 0.39 H new ATOM 0 HB3 MET A 85 1.327 -9.994 -4.153 1.00 0.39 H new ATOM 0 HG2 MET A 85 2.619 -9.956 -2.310 1.00 1.36 H new ATOM 0 HG3 MET A 85 1.080 -9.891 -1.472 1.00 1.36 H new ATOM 0 HE1 MET A 85 3.257 -12.237 0.814 1.00 3.35 H new ATOM 0 HE2 MET A 85 3.557 -10.670 0.027 1.00 3.35 H new ATOM 0 HE3 MET A 85 2.013 -10.966 0.859 1.00 3.35 H new ATOM 1363 N SER A 86 -1.060 -11.071 -0.979 1.00 0.33 N ATOM 1364 CA SER A 86 -1.614 -11.809 0.142 1.00 0.39 C ATOM 1365 C SER A 86 -3.129 -11.882 0.006 1.00 0.43 C ATOM 1366 O SER A 86 -3.753 -12.844 0.433 1.00 0.57 O ATOM 1367 CB SER A 86 -1.228 -11.135 1.466 1.00 0.43 C ATOM 1368 OG SER A 86 -1.594 -11.930 2.585 1.00 1.24 O ATOM 0 H SER A 86 -0.661 -10.166 -0.730 1.00 0.33 H new ATOM 0 HA SER A 86 -1.207 -12.820 0.141 1.00 0.39 H new ATOM 0 HB2 SER A 86 -0.153 -10.955 1.483 1.00 0.43 H new ATOM 0 HB3 SER A 86 -1.715 -10.162 1.535 1.00 0.43 H new ATOM 0 HG SER A 86 -1.333 -11.472 3.411 1.00 1.24 H new ATOM 1374 N ASN A 87 -3.695 -10.860 -0.621 1.00 0.40 N ATOM 1375 CA ASN A 87 -5.136 -10.743 -0.810 1.00 0.51 C ATOM 1376 C ASN A 87 -5.659 -11.695 -1.885 1.00 0.44 C ATOM 1377 O ASN A 87 -6.528 -12.522 -1.617 1.00 0.53 O ATOM 1378 CB ASN A 87 -5.469 -9.306 -1.197 1.00 0.69 C ATOM 1379 CG ASN A 87 -6.875 -9.137 -1.720 1.00 1.43 C ATOM 1380 OD1 ASN A 87 -7.108 -8.330 -2.613 1.00 2.36 O ATOM 1381 ND2 ASN A 87 -7.824 -9.880 -1.166 1.00 1.49 N ATOM 0 H ASN A 87 -3.165 -10.083 -1.016 1.00 0.40 H new ATOM 0 HA ASN A 87 -5.621 -11.014 0.128 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -5.333 -8.662 -0.328 1.00 0.69 H new ATOM 0 HB3 ASN A 87 -4.764 -8.969 -1.957 1.00 0.69 H new ATOM 0 HD21 ASN A 87 -8.790 -9.791 -1.481 1.00 1.49 H new ATOM 0 HD22 ASN A 87 -7.588 -10.540 -0.425 1.00 1.49 H new ATOM 1388 N GLU A 88 -5.148 -11.560 -3.099 1.00 0.37 N ATOM 1389 CA GLU A 88 -5.627 -12.355 -4.220 1.00 0.43 C ATOM 1390 C GLU A 88 -5.447 -13.844 -3.931 1.00 0.52 C ATOM 1391 O GLU A 88 -6.293 -14.667 -4.281 1.00 0.66 O ATOM 1392 CB GLU A 88 -4.891 -11.961 -5.503 1.00 0.48 C ATOM 1393 CG GLU A 88 -4.969 -10.479 -5.827 1.00 0.51 C ATOM 1394 CD GLU A 88 -4.240 -10.143 -7.108 1.00 0.90 C ATOM 1395 OE1 GLU A 88 -4.743 -10.515 -8.188 1.00 1.73 O ATOM 1396 OE2 GLU A 88 -3.159 -9.524 -7.044 1.00 1.49 O ATOM 0 H GLU A 88 -4.401 -10.907 -3.334 1.00 0.37 H new ATOM 0 HA GLU A 88 -6.690 -12.159 -4.359 1.00 0.43 H new ATOM 0 HB2 GLU A 88 -3.843 -12.248 -5.412 1.00 0.48 H new ATOM 0 HB3 GLU A 88 -5.306 -12.528 -6.337 1.00 0.48 H new ATOM 0 HG2 GLU A 88 -6.014 -10.181 -5.915 1.00 0.51 H new ATOM 0 HG3 GLU A 88 -4.542 -9.905 -5.005 1.00 0.51 H new ATOM 1403 N PHE A 89 -4.349 -14.175 -3.266 1.00 0.50 N ATOM 1404 CA PHE A 89 -4.087 -15.550 -2.859 1.00 0.63 C ATOM 1405 C PHE A 89 -4.856 -15.913 -1.584 1.00 0.66 C ATOM 1406 O PHE A 89 -5.069 -17.091 -1.300 1.00 0.79 O ATOM 1407 CB PHE A 89 -2.579 -15.760 -2.665 1.00 0.73 C ATOM 1408 CG PHE A 89 -2.190 -17.171 -2.319 1.00 1.19 C ATOM 1409 CD1 PHE A 89 -2.181 -18.159 -3.290 1.00 1.71 C ATOM 1410 CD2 PHE A 89 -1.832 -17.508 -1.022 1.00 2.16 C ATOM 1411 CE1 PHE A 89 -1.822 -19.455 -2.977 1.00 2.38 C ATOM 1412 CE2 PHE A 89 -1.472 -18.803 -0.704 1.00 2.80 C ATOM 1413 CZ PHE A 89 -1.469 -19.778 -1.681 1.00 2.70 C ATOM 0 H PHE A 89 -3.624 -13.510 -2.996 1.00 0.50 H new ATOM 0 HA PHE A 89 -4.437 -16.213 -3.650 1.00 0.63 H new ATOM 0 HB2 PHE A 89 -2.063 -15.467 -3.579 1.00 0.73 H new ATOM 0 HB3 PHE A 89 -2.230 -15.095 -1.875 1.00 0.73 H new ATOM 0 HD1 PHE A 89 -2.458 -17.913 -4.304 1.00 1.71 H new ATOM 0 HD2 PHE A 89 -1.835 -16.750 -0.253 1.00 2.16 H new ATOM 0 HE1 PHE A 89 -1.817 -20.215 -3.744 1.00 2.38 H new ATOM 0 HE2 PHE A 89 -1.193 -19.053 0.309 1.00 2.80 H new ATOM 0 HZ PHE A 89 -1.191 -20.792 -1.433 1.00 2.70 H new ATOM 1423 N PHE A 90 -5.285 -14.906 -0.828 1.00 0.60 N ATOM 1424 CA PHE A 90 -6.099 -15.141 0.364 1.00 0.68 C ATOM 1425 C PHE A 90 -7.393 -15.821 -0.046 1.00 0.68 C ATOM 1426 O PHE A 90 -7.882 -16.724 0.629 1.00 0.80 O ATOM 1427 CB PHE A 90 -6.400 -13.818 1.081 1.00 0.69 C ATOM 1428 CG PHE A 90 -7.171 -13.960 2.363 1.00 0.85 C ATOM 1429 CD1 PHE A 90 -6.583 -14.527 3.480 1.00 1.46 C ATOM 1430 CD2 PHE A 90 -8.482 -13.519 2.452 1.00 1.53 C ATOM 1431 CE1 PHE A 90 -7.286 -14.653 4.662 1.00 1.59 C ATOM 1432 CE2 PHE A 90 -9.190 -13.642 3.631 1.00 1.64 C ATOM 1433 CZ PHE A 90 -8.591 -14.210 4.738 1.00 1.21 C ATOM 0 H PHE A 90 -5.085 -13.924 -1.017 1.00 0.60 H new ATOM 0 HA PHE A 90 -5.550 -15.782 1.053 1.00 0.68 H new ATOM 0 HB2 PHE A 90 -5.458 -13.313 1.294 1.00 0.69 H new ATOM 0 HB3 PHE A 90 -6.961 -13.173 0.405 1.00 0.69 H new ATOM 0 HD1 PHE A 90 -5.562 -14.875 3.427 1.00 1.46 H new ATOM 0 HD2 PHE A 90 -8.955 -13.074 1.589 1.00 1.53 H new ATOM 0 HE1 PHE A 90 -6.815 -15.098 5.526 1.00 1.59 H new ATOM 0 HE2 PHE A 90 -10.211 -13.294 3.687 1.00 1.64 H new ATOM 0 HZ PHE A 90 -9.143 -14.307 5.661 1.00 1.21 H new ATOM 1443 N GLU A 91 -7.930 -15.381 -1.175 1.00 0.61 N ATOM 1444 CA GLU A 91 -9.117 -15.990 -1.745 1.00 0.72 C ATOM 1445 C GLU A 91 -8.809 -17.395 -2.233 1.00 0.77 C ATOM 1446 O GLU A 91 -9.536 -18.349 -1.958 1.00 0.96 O ATOM 1447 CB GLU A 91 -9.617 -15.168 -2.924 1.00 0.83 C ATOM 1448 CG GLU A 91 -9.682 -13.680 -2.657 1.00 0.92 C ATOM 1449 CD GLU A 91 -10.693 -13.297 -1.598 1.00 1.57 C ATOM 1450 OE1 GLU A 91 -11.513 -14.155 -1.209 1.00 2.23 O ATOM 1451 OE2 GLU A 91 -10.682 -12.125 -1.169 1.00 2.25 O ATOM 0 H GLU A 91 -7.558 -14.600 -1.715 1.00 0.61 H new ATOM 0 HA GLU A 91 -9.881 -16.029 -0.969 1.00 0.72 H new ATOM 0 HB2 GLU A 91 -8.964 -15.345 -3.779 1.00 0.83 H new ATOM 0 HB3 GLU A 91 -10.610 -15.520 -3.203 1.00 0.83 H new ATOM 0 HG2 GLU A 91 -8.696 -13.331 -2.349 1.00 0.92 H new ATOM 0 HG3 GLU A 91 -9.927 -13.163 -3.585 1.00 0.92 H new ATOM 1458 N GLY A 92 -7.708 -17.498 -2.956 1.00 0.71 N ATOM 1459 CA GLY A 92 -7.344 -18.733 -3.614 1.00 0.82 C ATOM 1460 C GLY A 92 -7.272 -18.513 -5.103 1.00 0.81 C ATOM 1461 O GLY A 92 -6.578 -19.225 -5.828 1.00 0.92 O ATOM 0 H GLY A 92 -7.049 -16.733 -3.101 1.00 0.71 H new ATOM 0 HA2 GLY A 92 -6.382 -19.085 -3.242 1.00 0.82 H new ATOM 0 HA3 GLY A 92 -8.076 -19.507 -3.386 1.00 0.82 H new ATOM 1465 N PHE A 93 -8.002 -17.502 -5.536 1.00 0.76 N ATOM 1466 CA PHE A 93 -8.000 -17.053 -6.912 1.00 0.78 C ATOM 1467 C PHE A 93 -8.199 -15.542 -6.907 1.00 0.69 C ATOM 1468 O PHE A 93 -8.818 -15.011 -5.985 1.00 0.82 O ATOM 1469 CB PHE A 93 -9.110 -17.753 -7.714 1.00 1.00 C ATOM 1470 CG PHE A 93 -10.510 -17.444 -7.247 1.00 1.68 C ATOM 1471 CD1 PHE A 93 -11.020 -18.028 -6.098 1.00 2.59 C ATOM 1472 CD2 PHE A 93 -11.318 -16.577 -7.967 1.00 2.41 C ATOM 1473 CE1 PHE A 93 -12.305 -17.752 -5.674 1.00 3.60 C ATOM 1474 CE2 PHE A 93 -12.605 -16.298 -7.548 1.00 3.46 C ATOM 1475 CZ PHE A 93 -13.099 -16.887 -6.399 1.00 3.91 C ATOM 0 H PHE A 93 -8.622 -16.963 -4.931 1.00 0.76 H new ATOM 0 HA PHE A 93 -7.054 -17.304 -7.391 1.00 0.78 H new ATOM 0 HB2 PHE A 93 -9.019 -17.467 -8.762 1.00 1.00 H new ATOM 0 HB3 PHE A 93 -8.953 -18.830 -7.663 1.00 1.00 H new ATOM 0 HD1 PHE A 93 -10.405 -18.708 -5.527 1.00 2.59 H new ATOM 0 HD2 PHE A 93 -10.937 -16.114 -8.866 1.00 2.41 H new ATOM 0 HE1 PHE A 93 -12.688 -18.213 -4.776 1.00 3.60 H new ATOM 0 HE2 PHE A 93 -13.224 -15.621 -8.117 1.00 3.46 H new ATOM 0 HZ PHE A 93 -14.104 -16.671 -6.069 1.00 3.91 H new ATOM 1485 N PRO A 94 -7.644 -14.827 -7.896 1.00 0.64 N ATOM 1486 CA PRO A 94 -7.747 -13.365 -7.967 1.00 0.61 C ATOM 1487 C PRO A 94 -9.179 -12.870 -8.209 1.00 0.71 C ATOM 1488 O PRO A 94 -9.503 -12.343 -9.273 1.00 0.90 O ATOM 1489 CB PRO A 94 -6.833 -12.994 -9.132 1.00 0.65 C ATOM 1490 CG PRO A 94 -6.713 -14.228 -9.954 1.00 0.84 C ATOM 1491 CD PRO A 94 -6.848 -15.383 -9.004 1.00 0.83 C ATOM 0 HA PRO A 94 -7.461 -12.899 -7.024 1.00 0.61 H new ATOM 0 HB2 PRO A 94 -7.253 -12.174 -9.715 1.00 0.65 H new ATOM 0 HB3 PRO A 94 -5.857 -12.664 -8.775 1.00 0.65 H new ATOM 0 HG2 PRO A 94 -7.488 -14.262 -10.720 1.00 0.84 H new ATOM 0 HG3 PRO A 94 -5.753 -14.259 -10.470 1.00 0.84 H new ATOM 0 HD2 PRO A 94 -7.349 -16.231 -9.472 1.00 0.83 H new ATOM 0 HD3 PRO A 94 -5.875 -15.737 -8.661 1.00 0.83 H new ATOM 1499 N ASP A 95 -10.010 -13.018 -7.184 1.00 0.71 N ATOM 1500 CA ASP A 95 -11.415 -12.602 -7.209 1.00 0.88 C ATOM 1501 C ASP A 95 -11.547 -11.080 -7.253 1.00 0.84 C ATOM 1502 O ASP A 95 -12.620 -10.530 -7.502 1.00 0.96 O ATOM 1503 CB ASP A 95 -12.116 -13.181 -5.969 1.00 1.12 C ATOM 1504 CG ASP A 95 -13.478 -12.576 -5.685 1.00 1.70 C ATOM 1505 OD1 ASP A 95 -14.411 -12.801 -6.480 1.00 2.16 O ATOM 1506 OD2 ASP A 95 -13.623 -11.900 -4.637 1.00 2.40 O ATOM 0 H ASP A 95 -9.727 -13.436 -6.298 1.00 0.71 H new ATOM 0 HA ASP A 95 -11.889 -12.984 -8.113 1.00 0.88 H new ATOM 0 HB2 ASP A 95 -12.229 -14.257 -6.099 1.00 1.12 H new ATOM 0 HB3 ASP A 95 -11.476 -13.030 -5.100 1.00 1.12 H new ATOM 1511 N LYS A 96 -10.428 -10.410 -7.049 1.00 0.81 N ATOM 1512 CA LYS A 96 -10.401 -8.957 -6.974 1.00 0.86 C ATOM 1513 C LYS A 96 -10.330 -8.392 -8.378 1.00 0.84 C ATOM 1514 O LYS A 96 -10.600 -7.215 -8.617 1.00 0.95 O ATOM 1515 CB LYS A 96 -9.188 -8.477 -6.170 1.00 0.97 C ATOM 1516 CG LYS A 96 -8.591 -9.510 -5.205 1.00 0.94 C ATOM 1517 CD LYS A 96 -9.398 -9.655 -3.920 1.00 0.65 C ATOM 1518 CE LYS A 96 -10.660 -10.466 -4.129 1.00 0.84 C ATOM 1519 NZ LYS A 96 -11.576 -10.409 -2.964 1.00 1.86 N ATOM 0 H LYS A 96 -9.516 -10.852 -6.931 1.00 0.81 H new ATOM 0 HA LYS A 96 -11.306 -8.612 -6.473 1.00 0.86 H new ATOM 0 HB2 LYS A 96 -8.411 -8.164 -6.868 1.00 0.97 H new ATOM 0 HB3 LYS A 96 -9.477 -7.595 -5.599 1.00 0.97 H new ATOM 0 HG2 LYS A 96 -8.535 -10.477 -5.705 1.00 0.94 H new ATOM 0 HG3 LYS A 96 -7.570 -9.220 -4.956 1.00 0.94 H new ATOM 0 HD2 LYS A 96 -8.783 -10.133 -3.158 1.00 0.65 H new ATOM 0 HD3 LYS A 96 -9.661 -8.666 -3.544 1.00 0.65 H new ATOM 0 HE2 LYS A 96 -11.181 -10.099 -5.014 1.00 0.84 H new ATOM 0 HE3 LYS A 96 -10.392 -11.504 -4.325 1.00 0.84 H new ATOM 0 HZ1 LYS A 96 -12.501 -10.804 -3.230 1.00 1.86 H new ATOM 0 HZ2 LYS A 96 -11.175 -10.962 -2.180 1.00 1.86 H new ATOM 0 HZ3 LYS A 96 -11.695 -9.420 -2.664 1.00 1.86 H new ATOM 1533 N GLN A 97 -9.951 -9.257 -9.300 1.00 0.85 N ATOM 1534 CA GLN A 97 -9.839 -8.897 -10.697 1.00 1.00 C ATOM 1535 C GLN A 97 -11.132 -9.255 -11.403 1.00 1.03 C ATOM 1536 O GLN A 97 -11.930 -10.031 -10.884 1.00 1.07 O ATOM 1537 CB GLN A 97 -8.677 -9.659 -11.343 1.00 1.19 C ATOM 1538 CG GLN A 97 -7.435 -9.754 -10.472 1.00 1.19 C ATOM 1539 CD GLN A 97 -6.946 -8.412 -9.975 1.00 1.05 C ATOM 1540 OE1 GLN A 97 -7.119 -7.385 -10.630 1.00 1.71 O ATOM 1541 NE2 GLN A 97 -6.308 -8.424 -8.819 1.00 0.97 N ATOM 0 H GLN A 97 -9.713 -10.228 -9.099 1.00 0.85 H new ATOM 0 HA GLN A 97 -9.652 -7.827 -10.782 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -9.011 -10.666 -11.591 1.00 1.19 H new ATOM 0 HB3 GLN A 97 -8.413 -9.170 -12.281 1.00 1.19 H new ATOM 0 HG2 GLN A 97 -7.649 -10.394 -9.616 1.00 1.19 H new ATOM 0 HG3 GLN A 97 -6.638 -10.235 -11.039 1.00 1.19 H new ATOM 0 HE21 GLN A 97 -6.189 -9.301 -8.311 1.00 0.97 H new ATOM 0 HE22 GLN A 97 -5.934 -7.557 -8.434 1.00 0.97 H new ATOM 1550 N PRO A 98 -11.360 -8.694 -12.594 1.00 1.26 N ATOM 1551 CA PRO A 98 -12.479 -9.087 -13.450 1.00 1.46 C ATOM 1552 C PRO A 98 -12.260 -10.476 -14.048 1.00 1.51 C ATOM 1553 O PRO A 98 -13.107 -11.002 -14.770 1.00 1.97 O ATOM 1554 CB PRO A 98 -12.495 -8.031 -14.563 1.00 1.83 C ATOM 1555 CG PRO A 98 -11.520 -6.975 -14.152 1.00 1.83 C ATOM 1556 CD PRO A 98 -10.567 -7.614 -13.183 1.00 1.53 C ATOM 0 HA PRO A 98 -13.416 -9.137 -12.895 1.00 1.46 H new ATOM 0 HB2 PRO A 98 -12.213 -8.470 -15.520 1.00 1.83 H new ATOM 0 HB3 PRO A 98 -13.493 -7.612 -14.687 1.00 1.83 H new ATOM 0 HG2 PRO A 98 -10.986 -6.585 -15.018 1.00 1.83 H new ATOM 0 HG3 PRO A 98 -12.035 -6.133 -13.689 1.00 1.83 H new ATOM 0 HD2 PRO A 98 -9.678 -7.995 -13.685 1.00 1.53 H new ATOM 0 HD3 PRO A 98 -10.227 -6.906 -12.427 1.00 1.53 H new ATOM 1564 N ARG A 99 -11.099 -11.051 -13.714 1.00 1.37 N ATOM 1565 CA ARG A 99 -10.646 -12.334 -14.233 1.00 1.57 C ATOM 1566 C ARG A 99 -10.704 -12.369 -15.755 1.00 1.88 C ATOM 1567 O ARG A 99 -11.090 -13.368 -16.358 1.00 2.42 O ATOM 1568 CB ARG A 99 -11.446 -13.481 -13.619 1.00 2.01 C ATOM 1569 CG ARG A 99 -11.046 -13.814 -12.185 1.00 1.97 C ATOM 1570 CD ARG A 99 -11.855 -13.021 -11.174 1.00 2.58 C ATOM 1571 NE ARG A 99 -13.241 -13.480 -11.093 1.00 3.49 N ATOM 1572 CZ ARG A 99 -14.226 -12.804 -10.496 1.00 4.43 C ATOM 1573 NH1 ARG A 99 -14.001 -11.599 -9.988 1.00 4.69 N ATOM 1574 NH2 ARG A 99 -15.440 -13.333 -10.420 1.00 5.41 N ATOM 0 H ARG A 99 -10.440 -10.625 -13.063 1.00 1.37 H new ATOM 0 HA ARG A 99 -9.602 -12.462 -13.945 1.00 1.57 H new ATOM 0 HB2 ARG A 99 -12.505 -13.225 -13.640 1.00 2.01 H new ATOM 0 HB3 ARG A 99 -11.321 -14.370 -14.237 1.00 2.01 H new ATOM 0 HG2 ARG A 99 -11.187 -14.880 -12.007 1.00 1.97 H new ATOM 0 HG3 ARG A 99 -9.985 -13.605 -12.046 1.00 1.97 H new ATOM 0 HD2 ARG A 99 -11.389 -13.104 -10.192 1.00 2.58 H new ATOM 0 HD3 ARG A 99 -11.839 -11.966 -11.446 1.00 2.58 H new ATOM 0 HE ARG A 99 -13.471 -14.377 -11.521 1.00 3.49 H new ATOM 0 HH11 ARG A 99 -13.072 -11.184 -10.052 1.00 4.69 H new ATOM 0 HH12 ARG A 99 -14.758 -11.088 -9.533 1.00 4.69 H new ATOM 0 HH21 ARG A 99 -15.620 -14.255 -10.817 1.00 5.41 H new ATOM 0 HH22 ARG A 99 -16.193 -12.818 -9.964 1.00 5.41 H new ATOM 1588 N LYS A 100 -10.297 -11.261 -16.354 1.00 2.17 N ATOM 1589 CA LYS A 100 -10.253 -11.112 -17.801 1.00 2.96 C ATOM 1590 C LYS A 100 -9.435 -9.877 -18.147 1.00 3.80 C ATOM 1591 O LYS A 100 -8.559 -9.923 -19.007 1.00 4.60 O ATOM 1592 CB LYS A 100 -11.668 -11.004 -18.396 1.00 3.58 C ATOM 1593 CG LYS A 100 -12.535 -9.924 -17.764 1.00 4.14 C ATOM 1594 CD LYS A 100 -13.892 -9.809 -18.443 1.00 5.01 C ATOM 1595 CE LYS A 100 -13.758 -9.405 -19.903 1.00 5.79 C ATOM 1596 NZ LYS A 100 -15.079 -9.135 -20.528 1.00 6.34 N ATOM 0 H LYS A 100 -9.985 -10.433 -15.846 1.00 2.17 H new ATOM 0 HA LYS A 100 -9.785 -11.997 -18.233 1.00 2.96 H new ATOM 0 HB2 LYS A 100 -11.585 -10.807 -19.465 1.00 3.58 H new ATOM 0 HB3 LYS A 100 -12.169 -11.966 -18.287 1.00 3.58 H new ATOM 0 HG2 LYS A 100 -12.677 -10.147 -16.706 1.00 4.14 H new ATOM 0 HG3 LYS A 100 -12.019 -8.966 -17.822 1.00 4.14 H new ATOM 0 HD2 LYS A 100 -14.414 -10.763 -18.376 1.00 5.01 H new ATOM 0 HD3 LYS A 100 -14.501 -9.074 -17.917 1.00 5.01 H new ATOM 0 HE2 LYS A 100 -13.133 -8.515 -19.977 1.00 5.79 H new ATOM 0 HE3 LYS A 100 -13.251 -10.197 -20.454 1.00 5.79 H new ATOM 0 HZ1 LYS A 100 -14.943 -8.863 -21.523 1.00 6.34 H new ATOM 0 HZ2 LYS A 100 -15.667 -9.991 -20.480 1.00 6.34 H new ATOM 0 HZ3 LYS A 100 -15.552 -8.361 -20.019 1.00 6.34 H new ATOM 1610 N LYS A 101 -9.738 -8.786 -17.447 1.00 3.82 N ATOM 1611 CA LYS A 101 -8.999 -7.532 -17.559 1.00 4.82 C ATOM 1612 C LYS A 101 -9.017 -7.001 -18.989 1.00 5.79 C ATOM 1613 O LYS A 101 -10.003 -6.330 -19.352 1.00 6.45 O ATOM 1614 CB LYS A 101 -7.560 -7.705 -17.063 1.00 5.01 C ATOM 1615 CG LYS A 101 -7.461 -7.964 -15.567 1.00 4.42 C ATOM 1616 CD LYS A 101 -6.023 -8.207 -15.138 1.00 5.04 C ATOM 1617 CE LYS A 101 -5.906 -8.354 -13.631 1.00 4.78 C ATOM 1618 NZ LYS A 101 -4.490 -8.468 -13.193 1.00 5.64 N ATOM 1619 OXT LYS A 101 -8.051 -7.246 -19.739 1.00 6.10 O ATOM 0 H LYS A 101 -10.510 -8.748 -16.781 1.00 3.82 H new ATOM 0 HA LYS A 101 -9.496 -6.797 -16.926 1.00 4.82 H new ATOM 0 HB2 LYS A 101 -7.097 -8.534 -17.599 1.00 5.01 H new ATOM 0 HB3 LYS A 101 -6.990 -6.809 -17.307 1.00 5.01 H new ATOM 0 HG2 LYS A 101 -7.865 -7.111 -15.021 1.00 4.42 H new ATOM 0 HG3 LYS A 101 -8.071 -8.829 -15.305 1.00 4.42 H new ATOM 0 HD2 LYS A 101 -5.646 -9.108 -15.622 1.00 5.04 H new ATOM 0 HD3 LYS A 101 -5.398 -7.379 -15.473 1.00 5.04 H new ATOM 0 HE2 LYS A 101 -6.368 -7.494 -13.146 1.00 4.78 H new ATOM 0 HE3 LYS A 101 -6.458 -9.237 -13.309 1.00 4.78 H new ATOM 0 HZ1 LYS A 101 -4.454 -8.567 -12.158 1.00 5.64 H new ATOM 0 HZ2 LYS A 101 -4.056 -9.303 -13.636 1.00 5.64 H new ATOM 0 HZ3 LYS A 101 -3.969 -7.614 -13.478 1.00 5.64 H new TER 1633 LYS A 101 ATOM 1634 N MET B 1 11.894 -0.264 14.548 1.00 3.81 N ATOM 1635 CA MET B 1 11.632 -1.136 13.381 1.00 3.21 C ATOM 1636 C MET B 1 10.143 -1.177 13.088 1.00 2.41 C ATOM 1637 O MET B 1 9.327 -0.906 13.968 1.00 2.60 O ATOM 1638 CB MET B 1 12.132 -2.558 13.649 1.00 3.84 C ATOM 1639 CG MET B 1 13.638 -2.663 13.827 1.00 4.40 C ATOM 1640 SD MET B 1 14.178 -4.354 14.143 1.00 5.09 S ATOM 1641 CE MET B 1 13.329 -4.705 15.681 1.00 5.69 C ATOM 0 H1 MET B 1 12.585 0.468 14.286 1.00 3.81 H new ATOM 0 H2 MET B 1 11.007 0.189 14.849 1.00 3.81 H new ATOM 0 H3 MET B 1 12.274 -0.835 15.330 1.00 3.81 H new ATOM 0 HA MET B 1 12.164 -0.727 12.522 1.00 3.21 H new ATOM 0 HB2 MET B 1 11.643 -2.941 14.545 1.00 3.84 H new ATOM 0 HB3 MET B 1 11.829 -3.200 12.822 1.00 3.84 H new ATOM 0 HG2 MET B 1 14.134 -2.288 12.932 1.00 4.40 H new ATOM 0 HG3 MET B 1 13.948 -2.025 14.654 1.00 4.40 H new ATOM 0 HE1 MET B 1 13.982 -5.285 16.333 1.00 5.69 H new ATOM 0 HE2 MET B 1 13.064 -3.769 16.172 1.00 5.69 H new ATOM 0 HE3 MET B 1 12.423 -5.276 15.475 1.00 5.69 H new ATOM 1653 N ALA B 2 9.792 -1.522 11.854 1.00 1.66 N ATOM 1654 CA ALA B 2 8.397 -1.646 11.463 1.00 0.98 C ATOM 1655 C ALA B 2 7.838 -2.985 11.882 1.00 0.81 C ATOM 1656 O ALA B 2 6.844 -3.439 11.324 1.00 0.91 O ATOM 1657 CB ALA B 2 8.202 -1.452 9.970 1.00 0.82 C ATOM 0 H ALA B 2 10.458 -1.721 11.107 1.00 1.66 H new ATOM 0 HA ALA B 2 7.854 -0.853 11.978 1.00 0.98 H new ATOM 0 HB1 ALA B 2 7.145 -1.554 9.725 1.00 0.82 H new ATOM 0 HB2 ALA B 2 8.547 -0.458 9.684 1.00 0.82 H new ATOM 0 HB3 ALA B 2 8.774 -2.205 9.428 1.00 0.82 H new ATOM 1663 N SER B 3 8.494 -3.613 12.863 1.00 0.80 N ATOM 1664 CA SER B 3 7.920 -4.742 13.578 1.00 0.78 C ATOM 1665 C SER B 3 6.473 -4.380 13.912 1.00 0.65 C ATOM 1666 O SER B 3 6.189 -3.186 14.015 1.00 0.83 O ATOM 1667 CB SER B 3 8.759 -5.023 14.829 1.00 0.97 C ATOM 1668 OG SER B 3 8.986 -3.833 15.568 1.00 1.18 O ATOM 0 H SER B 3 9.429 -3.351 13.177 1.00 0.80 H new ATOM 0 HA SER B 3 7.925 -5.654 12.981 1.00 0.78 H new ATOM 0 HB2 SER B 3 8.249 -5.753 15.457 1.00 0.97 H new ATOM 0 HB3 SER B 3 9.713 -5.463 14.540 1.00 0.97 H new ATOM 0 HG SER B 3 9.522 -4.038 16.362 1.00 1.18 H new ATOM 1674 N PRO B 4 5.627 -5.322 14.359 1.00 0.67 N ATOM 1675 CA PRO B 4 4.243 -5.546 13.886 1.00 0.62 C ATOM 1676 C PRO B 4 3.532 -4.473 13.009 1.00 0.47 C ATOM 1677 O PRO B 4 2.417 -4.729 12.566 1.00 0.50 O ATOM 1678 CB PRO B 4 3.533 -5.709 15.220 1.00 0.79 C ATOM 1679 CG PRO B 4 4.503 -6.492 16.052 1.00 0.97 C ATOM 1680 CD PRO B 4 5.887 -6.237 15.481 1.00 0.88 C ATOM 0 HA PRO B 4 4.230 -6.370 13.173 1.00 0.62 H new ATOM 0 HB2 PRO B 4 3.307 -4.744 15.673 1.00 0.79 H new ATOM 0 HB3 PRO B 4 2.586 -6.237 15.107 1.00 0.79 H new ATOM 0 HG2 PRO B 4 4.454 -6.182 17.096 1.00 0.97 H new ATOM 0 HG3 PRO B 4 4.264 -7.555 16.024 1.00 0.97 H new ATOM 0 HD2 PRO B 4 6.551 -5.789 16.220 1.00 0.88 H new ATOM 0 HD3 PRO B 4 6.360 -7.160 15.146 1.00 0.88 H new ATOM 1688 N LEU B 5 4.120 -3.305 12.769 1.00 0.36 N ATOM 1689 CA LEU B 5 3.497 -2.273 11.940 1.00 0.32 C ATOM 1690 C LEU B 5 3.349 -2.739 10.495 1.00 0.30 C ATOM 1691 O LEU B 5 2.350 -2.449 9.843 1.00 0.32 O ATOM 1692 CB LEU B 5 4.321 -0.982 11.988 1.00 0.32 C ATOM 1693 CG LEU B 5 3.953 0.089 10.950 1.00 0.30 C ATOM 1694 CD1 LEU B 5 3.904 1.453 11.614 1.00 0.41 C ATOM 1695 CD2 LEU B 5 4.960 0.106 9.801 1.00 0.27 C ATOM 0 H LEU B 5 5.035 -3.046 13.139 1.00 0.36 H new ATOM 0 HA LEU B 5 2.502 -2.080 12.341 1.00 0.32 H new ATOM 0 HB2 LEU B 5 4.220 -0.546 12.982 1.00 0.32 H new ATOM 0 HB3 LEU B 5 5.372 -1.240 11.858 1.00 0.32 H new ATOM 0 HG LEU B 5 2.972 -0.152 10.541 1.00 0.30 H new ATOM 0 HD11 LEU B 5 3.643 2.209 10.874 1.00 0.41 H new ATOM 0 HD12 LEU B 5 3.154 1.446 12.405 1.00 0.41 H new ATOM 0 HD13 LEU B 5 4.880 1.685 12.041 1.00 0.41 H new ATOM 0 HD21 LEU B 5 4.677 0.873 9.080 1.00 0.27 H new ATOM 0 HD22 LEU B 5 5.954 0.325 10.191 1.00 0.27 H new ATOM 0 HD23 LEU B 5 4.969 -0.867 9.311 1.00 0.27 H new ATOM 1707 N GLU B 6 4.336 -3.468 9.998 1.00 0.35 N ATOM 1708 CA GLU B 6 4.300 -3.952 8.627 1.00 0.42 C ATOM 1709 C GLU B 6 3.187 -4.989 8.473 1.00 0.34 C ATOM 1710 O GLU B 6 2.422 -4.996 7.501 1.00 0.32 O ATOM 1711 CB GLU B 6 5.653 -4.550 8.226 1.00 0.62 C ATOM 1712 CG GLU B 6 5.914 -5.971 8.726 1.00 1.80 C ATOM 1713 CD GLU B 6 6.157 -6.087 10.222 1.00 2.84 C ATOM 1714 OE1 GLU B 6 5.221 -5.833 11.005 1.00 3.61 O ATOM 1715 OE2 GLU B 6 7.268 -6.489 10.620 1.00 3.32 O ATOM 0 H GLU B 6 5.169 -3.737 10.521 1.00 0.35 H new ATOM 0 HA GLU B 6 4.095 -3.112 7.964 1.00 0.42 H new ATOM 0 HB2 GLU B 6 5.725 -4.546 7.138 1.00 0.62 H new ATOM 0 HB3 GLU B 6 6.444 -3.900 8.600 1.00 0.62 H new ATOM 0 HG2 GLU B 6 5.061 -6.596 8.461 1.00 1.80 H new ATOM 0 HG3 GLU B 6 6.780 -6.373 8.199 1.00 1.80 H new ATOM 1722 N LYS B 7 3.088 -5.848 9.465 1.00 0.35 N ATOM 1723 CA LYS B 7 2.056 -6.849 9.509 1.00 0.36 C ATOM 1724 C LYS B 7 0.742 -6.177 9.880 1.00 0.32 C ATOM 1725 O LYS B 7 -0.326 -6.740 9.695 1.00 0.35 O ATOM 1726 CB LYS B 7 2.433 -7.975 10.476 1.00 0.44 C ATOM 1727 CG LYS B 7 3.854 -8.523 10.272 1.00 0.64 C ATOM 1728 CD LYS B 7 4.036 -9.418 9.030 1.00 0.80 C ATOM 1729 CE LYS B 7 3.676 -8.737 7.714 1.00 1.78 C ATOM 1730 NZ LYS B 7 2.356 -9.196 7.198 1.00 2.82 N ATOM 0 H LYS B 7 3.724 -5.868 10.262 1.00 0.35 H new ATOM 0 HA LYS B 7 1.940 -7.315 8.530 1.00 0.36 H new ATOM 0 HB2 LYS B 7 2.339 -7.609 11.498 1.00 0.44 H new ATOM 0 HB3 LYS B 7 1.720 -8.791 10.363 1.00 0.44 H new ATOM 0 HG2 LYS B 7 4.544 -7.683 10.200 1.00 0.64 H new ATOM 0 HG3 LYS B 7 4.138 -9.093 11.157 1.00 0.64 H new ATOM 0 HD2 LYS B 7 5.073 -9.750 8.983 1.00 0.80 H new ATOM 0 HD3 LYS B 7 3.421 -10.310 9.145 1.00 0.80 H new ATOM 0 HE2 LYS B 7 3.655 -7.657 7.857 1.00 1.78 H new ATOM 0 HE3 LYS B 7 4.448 -8.945 6.974 1.00 1.78 H new ATOM 0 HZ1 LYS B 7 2.099 -8.639 6.358 1.00 2.82 H new ATOM 0 HZ2 LYS B 7 2.414 -10.202 6.942 1.00 2.82 H new ATOM 0 HZ3 LYS B 7 1.632 -9.068 7.934 1.00 2.82 H new ATOM 1744 N ALA B 8 0.846 -4.975 10.438 1.00 0.29 N ATOM 1745 CA ALA B 8 -0.324 -4.142 10.705 1.00 0.29 C ATOM 1746 C ALA B 8 -0.894 -3.566 9.413 1.00 0.27 C ATOM 1747 O ALA B 8 -2.093 -3.324 9.321 1.00 0.28 O ATOM 1748 CB ALA B 8 -0.002 -3.025 11.677 1.00 0.32 C ATOM 0 H ALA B 8 1.732 -4.554 10.716 1.00 0.29 H new ATOM 0 HA ALA B 8 -1.077 -4.783 11.162 1.00 0.29 H new ATOM 0 HB1 ALA B 8 -0.896 -2.426 11.852 1.00 0.32 H new ATOM 0 HB2 ALA B 8 0.340 -3.451 12.620 1.00 0.32 H new ATOM 0 HB3 ALA B 8 0.782 -2.394 11.259 1.00 0.32 H new ATOM 1754 N LEU B 9 -0.041 -3.331 8.416 1.00 0.25 N ATOM 1755 CA LEU B 9 -0.545 -3.006 7.077 1.00 0.25 C ATOM 1756 C LEU B 9 -1.336 -4.207 6.582 1.00 0.25 C ATOM 1757 O LEU B 9 -2.358 -4.088 5.908 1.00 0.26 O ATOM 1758 CB LEU B 9 0.581 -2.702 6.076 1.00 0.26 C ATOM 1759 CG LEU B 9 1.864 -2.118 6.659 1.00 0.25 C ATOM 1760 CD1 LEU B 9 2.917 -1.961 5.578 1.00 0.33 C ATOM 1761 CD2 LEU B 9 1.607 -0.786 7.339 1.00 0.27 C ATOM 0 H LEU B 9 0.975 -3.357 8.502 1.00 0.25 H new ATOM 0 HA LEU B 9 -1.159 -2.108 7.148 1.00 0.25 H new ATOM 0 HB2 LEU B 9 0.832 -3.625 5.553 1.00 0.26 H new ATOM 0 HB3 LEU B 9 0.197 -2.007 5.330 1.00 0.26 H new ATOM 0 HG LEU B 9 2.232 -2.815 7.412 1.00 0.25 H new ATOM 0 HD11 LEU B 9 3.825 -1.543 6.013 1.00 0.33 H new ATOM 0 HD12 LEU B 9 3.138 -2.935 5.142 1.00 0.33 H new ATOM 0 HD13 LEU B 9 2.545 -1.292 4.802 1.00 0.33 H new ATOM 0 HD21 LEU B 9 2.542 -0.398 7.743 1.00 0.27 H new ATOM 0 HD22 LEU B 9 1.204 -0.079 6.614 1.00 0.27 H new ATOM 0 HD23 LEU B 9 0.891 -0.923 8.149 1.00 0.27 H new ATOM 1773 N ASP B 10 -0.848 -5.379 6.945 1.00 0.27 N ATOM 1774 CA ASP B 10 -1.577 -6.619 6.674 1.00 0.28 C ATOM 1775 C ASP B 10 -2.863 -6.665 7.508 1.00 0.27 C ATOM 1776 O ASP B 10 -3.884 -7.196 7.075 1.00 0.28 O ATOM 1777 CB ASP B 10 -0.701 -7.839 6.967 1.00 0.33 C ATOM 1778 CG ASP B 10 -1.407 -9.152 6.688 1.00 0.37 C ATOM 1779 OD1 ASP B 10 -1.387 -9.604 5.529 1.00 1.18 O ATOM 1780 OD2 ASP B 10 -1.958 -9.749 7.635 1.00 1.15 O ATOM 0 H ASP B 10 0.043 -5.505 7.425 1.00 0.27 H new ATOM 0 HA ASP B 10 -1.843 -6.642 5.617 1.00 0.28 H new ATOM 0 HB2 ASP B 10 0.205 -7.783 6.363 1.00 0.33 H new ATOM 0 HB3 ASP B 10 -0.390 -7.814 8.011 1.00 0.33 H new ATOM 1785 N VAL B 11 -2.816 -6.076 8.702 1.00 0.27 N ATOM 1786 CA VAL B 11 -3.999 -5.935 9.536 1.00 0.27 C ATOM 1787 C VAL B 11 -4.982 -4.962 8.884 1.00 0.27 C ATOM 1788 O VAL B 11 -6.180 -4.997 9.147 1.00 0.28 O ATOM 1789 CB VAL B 11 -3.630 -5.456 10.961 1.00 0.28 C ATOM 1790 CG1 VAL B 11 -4.870 -5.145 11.782 1.00 0.30 C ATOM 1791 CG2 VAL B 11 -2.782 -6.501 11.669 1.00 0.31 C ATOM 0 H VAL B 11 -1.966 -5.689 9.111 1.00 0.27 H new ATOM 0 HA VAL B 11 -4.470 -6.914 9.627 1.00 0.27 H new ATOM 0 HB VAL B 11 -3.053 -4.537 10.862 1.00 0.28 H new ATOM 0 HG11 VAL B 11 -4.574 -4.812 12.777 1.00 0.30 H new ATOM 0 HG12 VAL B 11 -5.443 -4.358 11.291 1.00 0.30 H new ATOM 0 HG13 VAL B 11 -5.484 -6.042 11.868 1.00 0.30 H new ATOM 0 HG21 VAL B 11 -2.531 -6.149 12.670 1.00 0.31 H new ATOM 0 HG22 VAL B 11 -3.341 -7.434 11.742 1.00 0.31 H new ATOM 0 HG23 VAL B 11 -1.866 -6.670 11.103 1.00 0.31 H new ATOM 1801 N MET B 12 -4.465 -4.097 8.024 1.00 0.26 N ATOM 1802 CA MET B 12 -5.311 -3.239 7.205 1.00 0.29 C ATOM 1803 C MET B 12 -6.113 -4.085 6.217 1.00 0.29 C ATOM 1804 O MET B 12 -7.278 -3.795 5.944 1.00 0.33 O ATOM 1805 CB MET B 12 -4.471 -2.181 6.475 1.00 0.32 C ATOM 1806 CG MET B 12 -5.188 -1.516 5.317 1.00 0.98 C ATOM 1807 SD MET B 12 -5.120 -2.473 3.782 1.00 2.23 S ATOM 1808 CE MET B 12 -3.364 -2.460 3.431 1.00 2.75 C ATOM 0 H MET B 12 -3.464 -3.970 7.875 1.00 0.26 H new ATOM 0 HA MET B 12 -6.010 -2.713 7.855 1.00 0.29 H new ATOM 0 HB2 MET B 12 -4.169 -1.415 7.190 1.00 0.32 H new ATOM 0 HB3 MET B 12 -3.559 -2.649 6.104 1.00 0.32 H new ATOM 0 HG2 MET B 12 -6.231 -1.355 5.590 1.00 0.98 H new ATOM 0 HG3 MET B 12 -4.749 -0.534 5.143 1.00 0.98 H new ATOM 0 HE1 MET B 12 -3.198 -2.085 2.421 1.00 2.75 H new ATOM 0 HE2 MET B 12 -2.855 -1.814 4.146 1.00 2.75 H new ATOM 0 HE3 MET B 12 -2.969 -3.473 3.511 1.00 2.75 H new ATOM 1818 N VAL B 13 -5.488 -5.134 5.687 1.00 0.29 N ATOM 1819 CA VAL B 13 -6.207 -6.107 4.862 1.00 0.31 C ATOM 1820 C VAL B 13 -7.384 -6.679 5.662 1.00 0.27 C ATOM 1821 O VAL B 13 -8.497 -6.863 5.147 1.00 0.27 O ATOM 1822 CB VAL B 13 -5.283 -7.263 4.399 1.00 0.37 C ATOM 1823 CG1 VAL B 13 -6.028 -8.230 3.490 1.00 0.42 C ATOM 1824 CG2 VAL B 13 -4.047 -6.726 3.690 1.00 0.42 C ATOM 0 H VAL B 13 -4.495 -5.333 5.811 1.00 0.29 H new ATOM 0 HA VAL B 13 -6.569 -5.593 3.972 1.00 0.31 H new ATOM 0 HB VAL B 13 -4.964 -7.803 5.290 1.00 0.37 H new ATOM 0 HG11 VAL B 13 -5.355 -9.030 3.181 1.00 0.42 H new ATOM 0 HG12 VAL B 13 -6.875 -8.656 4.028 1.00 0.42 H new ATOM 0 HG13 VAL B 13 -6.388 -7.698 2.609 1.00 0.42 H new ATOM 0 HG21 VAL B 13 -3.417 -7.558 3.376 1.00 0.42 H new ATOM 0 HG22 VAL B 13 -4.350 -6.151 2.815 1.00 0.42 H new ATOM 0 HG23 VAL B 13 -3.488 -6.084 4.370 1.00 0.42 H new ATOM 1834 N SER B 14 -7.133 -6.931 6.941 1.00 0.26 N ATOM 1835 CA SER B 14 -8.169 -7.396 7.847 1.00 0.26 C ATOM 1836 C SER B 14 -9.187 -6.291 8.124 1.00 0.25 C ATOM 1837 O SER B 14 -10.381 -6.562 8.276 1.00 0.25 O ATOM 1838 CB SER B 14 -7.541 -7.901 9.153 1.00 0.31 C ATOM 1839 OG SER B 14 -8.513 -8.479 10.007 1.00 1.18 O ATOM 0 H SER B 14 -6.216 -6.820 7.373 1.00 0.26 H new ATOM 0 HA SER B 14 -8.697 -8.224 7.374 1.00 0.26 H new ATOM 0 HB2 SER B 14 -6.770 -8.638 8.926 1.00 0.31 H new ATOM 0 HB3 SER B 14 -7.050 -7.074 9.666 1.00 0.31 H new ATOM 0 HG SER B 14 -9.063 -9.109 9.497 1.00 1.18 H new ATOM 1845 N THR B 15 -8.708 -5.054 8.178 1.00 0.28 N ATOM 1846 CA THR B 15 -9.571 -3.890 8.310 1.00 0.32 C ATOM 1847 C THR B 15 -10.642 -3.918 7.220 1.00 0.28 C ATOM 1848 O THR B 15 -11.833 -3.690 7.471 1.00 0.29 O ATOM 1849 CB THR B 15 -8.749 -2.590 8.200 1.00 0.45 C ATOM 1850 OG1 THR B 15 -7.772 -2.547 9.253 1.00 0.59 O ATOM 1851 CG2 THR B 15 -9.643 -1.364 8.273 1.00 0.93 C ATOM 0 H THR B 15 -7.714 -4.832 8.132 1.00 0.28 H new ATOM 0 HA THR B 15 -10.047 -3.918 9.290 1.00 0.32 H new ATOM 0 HB THR B 15 -8.247 -2.583 7.232 1.00 0.45 H new ATOM 0 HG1 THR B 15 -7.252 -3.378 9.251 1.00 0.59 H new ATOM 0 HG21 THR B 15 -9.033 -0.464 8.193 1.00 0.93 H new ATOM 0 HG22 THR B 15 -10.363 -1.389 7.455 1.00 0.93 H new ATOM 0 HG23 THR B 15 -10.175 -1.358 9.224 1.00 0.93 H new ATOM 1859 N PHE B 16 -10.196 -4.239 6.012 1.00 0.27 N ATOM 1860 CA PHE B 16 -11.077 -4.348 4.867 1.00 0.27 C ATOM 1861 C PHE B 16 -12.187 -5.364 5.090 1.00 0.29 C ATOM 1862 O PHE B 16 -13.360 -4.994 5.083 1.00 0.37 O ATOM 1863 CB PHE B 16 -10.281 -4.695 3.612 1.00 0.34 C ATOM 1864 CG PHE B 16 -11.124 -4.711 2.380 1.00 0.83 C ATOM 1865 CD1 PHE B 16 -11.938 -5.791 2.094 1.00 1.65 C ATOM 1866 CD2 PHE B 16 -11.117 -3.638 1.518 1.00 1.73 C ATOM 1867 CE1 PHE B 16 -12.725 -5.801 0.971 1.00 2.27 C ATOM 1868 CE2 PHE B 16 -11.901 -3.643 0.391 1.00 2.34 C ATOM 1869 CZ PHE B 16 -12.708 -4.726 0.120 1.00 2.36 C ATOM 0 H PHE B 16 -9.216 -4.430 5.804 1.00 0.27 H new ATOM 0 HA PHE B 16 -11.551 -3.376 4.731 1.00 0.27 H new ATOM 0 HB2 PHE B 16 -9.475 -3.972 3.486 1.00 0.34 H new ATOM 0 HB3 PHE B 16 -9.815 -5.672 3.741 1.00 0.34 H new ATOM 0 HD1 PHE B 16 -11.954 -6.638 2.764 1.00 1.65 H new ATOM 0 HD2 PHE B 16 -10.489 -2.785 1.730 1.00 1.73 H new ATOM 0 HE1 PHE B 16 -13.355 -6.652 0.758 1.00 2.27 H new ATOM 0 HE2 PHE B 16 -11.885 -2.799 -0.282 1.00 2.34 H new ATOM 0 HZ PHE B 16 -13.328 -4.728 -0.764 1.00 2.36 H new ATOM 1879 N HIS B 17 -11.837 -6.635 5.302 1.00 0.31 N ATOM 1880 CA HIS B 17 -12.868 -7.679 5.388 1.00 0.40 C ATOM 1881 C HIS B 17 -13.784 -7.461 6.585 1.00 0.36 C ATOM 1882 O HIS B 17 -14.838 -8.086 6.696 1.00 0.42 O ATOM 1883 CB HIS B 17 -12.275 -9.096 5.412 1.00 0.59 C ATOM 1884 CG HIS B 17 -11.537 -9.473 6.662 1.00 0.81 C ATOM 1885 ND1 HIS B 17 -12.150 -9.656 7.885 1.00 1.54 N ATOM 1886 CD2 HIS B 17 -10.226 -9.729 6.862 1.00 1.77 C ATOM 1887 CE1 HIS B 17 -11.246 -10.005 8.778 1.00 2.03 C ATOM 1888 NE2 HIS B 17 -10.072 -10.056 8.183 1.00 2.20 N ATOM 0 H HIS B 17 -10.878 -6.963 5.415 1.00 0.31 H new ATOM 0 HA HIS B 17 -13.463 -7.595 4.479 1.00 0.40 H new ATOM 0 HB2 HIS B 17 -13.084 -9.811 5.261 1.00 0.59 H new ATOM 0 HB3 HIS B 17 -11.595 -9.200 4.566 1.00 0.59 H new ATOM 0 HD1 HIS B 17 -13.147 -9.539 8.069 1.00 1.54 H new ATOM 0 HD2 HIS B 17 -9.444 -9.684 6.118 1.00 1.77 H new ATOM 0 HE1 HIS B 17 -11.436 -10.214 9.821 1.00 2.03 H new ATOM 1897 N LYS B 18 -13.370 -6.580 7.479 1.00 0.34 N ATOM 1898 CA LYS B 18 -14.200 -6.173 8.595 1.00 0.39 C ATOM 1899 C LYS B 18 -15.379 -5.338 8.105 1.00 0.37 C ATOM 1900 O LYS B 18 -16.521 -5.594 8.473 1.00 0.47 O ATOM 1901 CB LYS B 18 -13.370 -5.373 9.592 1.00 0.43 C ATOM 1902 CG LYS B 18 -14.192 -4.693 10.673 1.00 0.54 C ATOM 1903 CD LYS B 18 -13.306 -3.920 11.633 1.00 0.73 C ATOM 1904 CE LYS B 18 -12.397 -2.959 10.888 1.00 0.79 C ATOM 1905 NZ LYS B 18 -11.690 -2.033 11.803 1.00 1.28 N ATOM 0 H LYS B 18 -12.455 -6.130 7.451 1.00 0.34 H new ATOM 0 HA LYS B 18 -14.588 -7.065 9.087 1.00 0.39 H new ATOM 0 HB2 LYS B 18 -12.647 -6.038 10.064 1.00 0.43 H new ATOM 0 HB3 LYS B 18 -12.802 -4.616 9.052 1.00 0.43 H new ATOM 0 HG2 LYS B 18 -14.912 -4.016 10.214 1.00 0.54 H new ATOM 0 HG3 LYS B 18 -14.763 -5.441 11.223 1.00 0.54 H new ATOM 0 HD2 LYS B 18 -13.926 -3.366 12.338 1.00 0.73 H new ATOM 0 HD3 LYS B 18 -12.704 -4.616 12.217 1.00 0.73 H new ATOM 0 HE2 LYS B 18 -11.666 -3.526 10.312 1.00 0.79 H new ATOM 0 HE3 LYS B 18 -12.987 -2.383 10.175 1.00 0.79 H new ATOM 0 HZ1 LYS B 18 -11.630 -1.091 11.366 1.00 1.28 H new ATOM 0 HZ2 LYS B 18 -12.212 -1.966 12.700 1.00 1.28 H new ATOM 0 HZ3 LYS B 18 -10.731 -2.391 11.986 1.00 1.28 H new ATOM 1919 N TYR B 19 -15.090 -4.346 7.266 1.00 0.29 N ATOM 1920 CA TYR B 19 -16.124 -3.444 6.756 1.00 0.29 C ATOM 1921 C TYR B 19 -16.838 -4.012 5.540 1.00 0.33 C ATOM 1922 O TYR B 19 -18.015 -3.739 5.331 1.00 0.44 O ATOM 1923 CB TYR B 19 -15.537 -2.078 6.421 1.00 0.31 C ATOM 1924 CG TYR B 19 -15.439 -1.172 7.619 1.00 0.36 C ATOM 1925 CD1 TYR B 19 -14.412 -1.314 8.533 1.00 1.23 C ATOM 1926 CD2 TYR B 19 -16.384 -0.178 7.841 1.00 1.28 C ATOM 1927 CE1 TYR B 19 -14.326 -0.492 9.636 1.00 1.26 C ATOM 1928 CE2 TYR B 19 -16.299 0.650 8.942 1.00 1.35 C ATOM 1929 CZ TYR B 19 -15.268 0.485 9.836 1.00 0.62 C ATOM 1930 OH TYR B 19 -15.172 1.301 10.939 1.00 0.79 O ATOM 0 H TYR B 19 -14.150 -4.145 6.924 1.00 0.29 H new ATOM 0 HA TYR B 19 -16.861 -3.333 7.551 1.00 0.29 H new ATOM 0 HB2 TYR B 19 -14.545 -2.211 5.990 1.00 0.31 H new ATOM 0 HB3 TYR B 19 -16.154 -1.600 5.660 1.00 0.31 H new ATOM 0 HD1 TYR B 19 -13.666 -2.080 8.381 1.00 1.23 H new ATOM 0 HD2 TYR B 19 -17.197 -0.051 7.142 1.00 1.28 H new ATOM 0 HE1 TYR B 19 -13.518 -0.617 10.342 1.00 1.26 H new ATOM 0 HE2 TYR B 19 -17.037 1.422 9.100 1.00 1.35 H new ATOM 0 HH TYR B 19 -14.246 1.605 11.042 1.00 0.79 H new ATOM 1940 N SER B 20 -16.135 -4.783 4.734 1.00 0.29 N ATOM 1941 CA SER B 20 -16.742 -5.390 3.566 1.00 0.32 C ATOM 1942 C SER B 20 -17.624 -6.553 3.984 1.00 0.40 C ATOM 1943 O SER B 20 -18.651 -6.834 3.373 1.00 0.60 O ATOM 1944 CB SER B 20 -15.652 -5.859 2.612 1.00 0.35 C ATOM 1945 OG SER B 20 -14.808 -6.813 3.234 1.00 0.86 O ATOM 0 H SER B 20 -15.148 -5.003 4.865 1.00 0.29 H new ATOM 0 HA SER B 20 -17.364 -4.654 3.056 1.00 0.32 H new ATOM 0 HB2 SER B 20 -16.106 -6.295 1.722 1.00 0.35 H new ATOM 0 HB3 SER B 20 -15.060 -5.005 2.282 1.00 0.35 H new ATOM 0 HG SER B 20 -14.861 -7.662 2.748 1.00 0.86 H new ATOM 1951 N GLY B 21 -17.234 -7.210 5.064 1.00 0.37 N ATOM 1952 CA GLY B 21 -17.983 -8.348 5.543 1.00 0.43 C ATOM 1953 C GLY B 21 -19.176 -7.948 6.379 1.00 0.41 C ATOM 1954 O GLY B 21 -19.631 -8.712 7.231 1.00 0.46 O ATOM 0 H GLY B 21 -16.410 -6.974 5.618 1.00 0.37 H new ATOM 0 HA2 GLY B 21 -18.322 -8.939 4.692 1.00 0.43 H new ATOM 0 HA3 GLY B 21 -17.327 -8.987 6.134 1.00 0.43 H new ATOM 1958 N LYS B 22 -19.697 -6.756 6.133 1.00 0.41 N ATOM 1959 CA LYS B 22 -20.858 -6.284 6.857 1.00 0.46 C ATOM 1960 C LYS B 22 -22.101 -6.393 5.979 1.00 0.52 C ATOM 1961 O LYS B 22 -23.084 -7.030 6.355 1.00 0.65 O ATOM 1962 CB LYS B 22 -20.659 -4.851 7.336 1.00 0.47 C ATOM 1963 CG LYS B 22 -19.299 -4.589 7.953 1.00 0.60 C ATOM 1964 CD LYS B 22 -19.212 -3.216 8.619 1.00 0.57 C ATOM 1965 CE LYS B 22 -19.483 -2.062 7.654 1.00 0.49 C ATOM 1966 NZ LYS B 22 -20.934 -1.768 7.519 1.00 1.08 N ATOM 0 H LYS B 22 -19.333 -6.103 5.439 1.00 0.41 H new ATOM 0 HA LYS B 22 -20.995 -6.912 7.738 1.00 0.46 H new ATOM 0 HB2 LYS B 22 -20.800 -4.174 6.493 1.00 0.47 H new ATOM 0 HB3 LYS B 22 -21.430 -4.613 8.068 1.00 0.47 H new ATOM 0 HG2 LYS B 22 -19.084 -5.361 8.691 1.00 0.60 H new ATOM 0 HG3 LYS B 22 -18.533 -4.664 7.181 1.00 0.60 H new ATOM 0 HD2 LYS B 22 -19.928 -3.171 9.440 1.00 0.57 H new ATOM 0 HD3 LYS B 22 -18.220 -3.092 9.054 1.00 0.57 H new ATOM 0 HE2 LYS B 22 -18.965 -1.169 8.004 1.00 0.49 H new ATOM 0 HE3 LYS B 22 -19.071 -2.306 6.675 1.00 0.49 H new ATOM 0 HZ1 LYS B 22 -21.073 -0.741 7.430 1.00 1.08 H new ATOM 0 HZ2 LYS B 22 -21.307 -2.243 6.672 1.00 1.08 H new ATOM 0 HZ3 LYS B 22 -21.438 -2.114 8.360 1.00 1.08 H new ATOM 1980 N GLU B 23 -22.048 -5.773 4.805 1.00 0.47 N ATOM 1981 CA GLU B 23 -23.134 -5.851 3.841 1.00 0.54 C ATOM 1982 C GLU B 23 -22.555 -5.943 2.430 1.00 0.58 C ATOM 1983 O GLU B 23 -21.352 -5.792 2.243 1.00 0.64 O ATOM 1984 CB GLU B 23 -24.044 -4.622 3.978 1.00 0.67 C ATOM 1985 CG GLU B 23 -25.352 -4.728 3.215 1.00 1.15 C ATOM 1986 CD GLU B 23 -26.118 -5.984 3.564 1.00 1.60 C ATOM 1987 OE1 GLU B 23 -26.907 -5.959 4.529 1.00 1.96 O ATOM 1988 OE2 GLU B 23 -25.926 -7.010 2.877 1.00 2.38 O ATOM 0 H GLU B 23 -21.257 -5.207 4.499 1.00 0.47 H new ATOM 0 HA GLU B 23 -23.732 -6.742 4.033 1.00 0.54 H new ATOM 0 HB2 GLU B 23 -24.264 -4.463 5.034 1.00 0.67 H new ATOM 0 HB3 GLU B 23 -23.503 -3.743 3.629 1.00 0.67 H new ATOM 0 HG2 GLU B 23 -25.969 -3.856 3.433 1.00 1.15 H new ATOM 0 HG3 GLU B 23 -25.148 -4.715 2.144 1.00 1.15 H new ATOM 1995 N GLY B 24 -23.403 -6.216 1.449 1.00 0.72 N ATOM 1996 CA GLY B 24 -22.938 -6.316 0.080 1.00 0.85 C ATOM 1997 C GLY B 24 -21.982 -7.472 -0.103 1.00 0.79 C ATOM 1998 O GLY B 24 -22.224 -8.566 0.412 1.00 0.92 O ATOM 0 H GLY B 24 -24.403 -6.370 1.576 1.00 0.72 H new ATOM 0 HA2 GLY B 24 -23.792 -6.441 -0.586 1.00 0.85 H new ATOM 0 HA3 GLY B 24 -22.444 -5.387 -0.205 1.00 0.85 H new ATOM 2002 N ASP B 25 -20.895 -7.243 -0.823 1.00 0.71 N ATOM 2003 CA ASP B 25 -19.894 -8.281 -1.008 1.00 0.70 C ATOM 2004 C ASP B 25 -18.974 -8.328 0.195 1.00 0.73 C ATOM 2005 O ASP B 25 -18.568 -7.299 0.718 1.00 1.34 O ATOM 2006 CB ASP B 25 -19.042 -8.025 -2.241 1.00 0.72 C ATOM 2007 CG ASP B 25 -18.535 -9.306 -2.869 1.00 1.04 C ATOM 2008 OD1 ASP B 25 -17.633 -9.947 -2.287 1.00 1.64 O ATOM 2009 OD2 ASP B 25 -19.035 -9.675 -3.954 1.00 1.75 O ATOM 0 H ASP B 25 -20.685 -6.358 -1.284 1.00 0.71 H new ATOM 0 HA ASP B 25 -20.425 -9.225 -1.130 1.00 0.70 H new ATOM 0 HB2 ASP B 25 -19.627 -7.471 -2.975 1.00 0.72 H new ATOM 0 HB3 ASP B 25 -18.194 -7.397 -1.969 1.00 0.72 H new ATOM 2014 N LYS B 26 -18.619 -9.527 0.596 1.00 0.61 N ATOM 2015 CA LYS B 26 -17.755 -9.736 1.745 1.00 0.56 C ATOM 2016 C LYS B 26 -16.314 -9.388 1.390 1.00 0.49 C ATOM 2017 O LYS B 26 -15.459 -9.208 2.260 1.00 0.55 O ATOM 2018 CB LYS B 26 -17.876 -11.197 2.203 1.00 0.71 C ATOM 2019 CG LYS B 26 -16.697 -11.710 3.010 1.00 1.03 C ATOM 2020 CD LYS B 26 -16.643 -11.088 4.394 1.00 0.70 C ATOM 2021 CE LYS B 26 -15.459 -11.599 5.196 1.00 0.94 C ATOM 2022 NZ LYS B 26 -15.538 -13.063 5.446 1.00 1.56 N ATOM 0 H LYS B 26 -18.919 -10.388 0.138 1.00 0.61 H new ATOM 0 HA LYS B 26 -18.061 -9.083 2.563 1.00 0.56 H new ATOM 0 HB2 LYS B 26 -18.781 -11.302 2.801 1.00 0.71 H new ATOM 0 HB3 LYS B 26 -18.000 -11.830 1.324 1.00 0.71 H new ATOM 0 HG2 LYS B 26 -16.764 -12.794 3.102 1.00 1.03 H new ATOM 0 HG3 LYS B 26 -15.771 -11.492 2.478 1.00 1.03 H new ATOM 0 HD2 LYS B 26 -16.580 -10.004 4.303 1.00 0.70 H new ATOM 0 HD3 LYS B 26 -17.567 -11.310 4.928 1.00 0.70 H new ATOM 0 HE2 LYS B 26 -14.536 -11.373 4.662 1.00 0.94 H new ATOM 0 HE3 LYS B 26 -15.413 -11.072 6.149 1.00 0.94 H new ATOM 0 HZ1 LYS B 26 -14.830 -13.332 6.159 1.00 1.56 H new ATOM 0 HZ2 LYS B 26 -16.488 -13.305 5.793 1.00 1.56 H new ATOM 0 HZ3 LYS B 26 -15.351 -13.577 4.561 1.00 1.56 H new ATOM 2036 N PHE B 27 -16.062 -9.252 0.108 1.00 0.45 N ATOM 2037 CA PHE B 27 -14.719 -9.052 -0.379 1.00 0.43 C ATOM 2038 C PHE B 27 -14.624 -7.725 -1.105 1.00 0.39 C ATOM 2039 O PHE B 27 -13.577 -7.377 -1.629 1.00 0.40 O ATOM 2040 CB PHE B 27 -14.316 -10.202 -1.310 1.00 0.49 C ATOM 2041 CG PHE B 27 -14.556 -11.565 -0.719 1.00 0.77 C ATOM 2042 CD1 PHE B 27 -13.786 -12.030 0.336 1.00 1.76 C ATOM 2043 CD2 PHE B 27 -15.559 -12.379 -1.218 1.00 1.28 C ATOM 2044 CE1 PHE B 27 -14.015 -13.280 0.880 1.00 2.08 C ATOM 2045 CE2 PHE B 27 -15.791 -13.630 -0.679 1.00 1.59 C ATOM 2046 CZ PHE B 27 -15.018 -14.080 0.372 1.00 1.65 C ATOM 0 H PHE B 27 -16.776 -9.277 -0.620 1.00 0.45 H new ATOM 0 HA PHE B 27 -14.034 -9.037 0.468 1.00 0.43 H new ATOM 0 HB2 PHE B 27 -14.873 -10.116 -2.243 1.00 0.49 H new ATOM 0 HB3 PHE B 27 -13.259 -10.104 -1.559 1.00 0.49 H new ATOM 0 HD1 PHE B 27 -12.999 -11.409 0.737 1.00 1.76 H new ATOM 0 HD2 PHE B 27 -16.168 -12.031 -2.039 1.00 1.28 H new ATOM 0 HE1 PHE B 27 -13.409 -13.630 1.702 1.00 2.08 H new ATOM 0 HE2 PHE B 27 -16.576 -14.255 -1.079 1.00 1.59 H new ATOM 0 HZ PHE B 27 -15.198 -15.057 0.796 1.00 1.65 H new ATOM 2056 N LYS B 28 -15.714 -6.971 -1.108 1.00 0.38 N ATOM 2057 CA LYS B 28 -15.751 -5.703 -1.812 1.00 0.36 C ATOM 2058 C LYS B 28 -16.608 -4.695 -1.069 1.00 0.34 C ATOM 2059 O LYS B 28 -17.713 -4.995 -0.627 1.00 0.37 O ATOM 2060 CB LYS B 28 -16.253 -5.857 -3.250 1.00 0.40 C ATOM 2061 CG LYS B 28 -15.306 -6.606 -4.173 1.00 0.49 C ATOM 2062 CD LYS B 28 -15.679 -6.393 -5.631 1.00 0.56 C ATOM 2063 CE LYS B 28 -14.847 -7.253 -6.575 1.00 0.86 C ATOM 2064 NZ LYS B 28 -14.766 -8.668 -6.132 1.00 1.70 N ATOM 0 H LYS B 28 -16.581 -7.217 -0.631 1.00 0.38 H new ATOM 0 HA LYS B 28 -14.725 -5.336 -1.854 1.00 0.36 H new ATOM 0 HB2 LYS B 28 -17.211 -6.378 -3.233 1.00 0.40 H new ATOM 0 HB3 LYS B 28 -16.436 -4.866 -3.665 1.00 0.40 H new ATOM 0 HG2 LYS B 28 -14.284 -6.267 -4.003 1.00 0.49 H new ATOM 0 HG3 LYS B 28 -15.332 -7.670 -3.940 1.00 0.49 H new ATOM 0 HD2 LYS B 28 -16.735 -6.623 -5.770 1.00 0.56 H new ATOM 0 HD3 LYS B 28 -15.545 -5.342 -5.888 1.00 0.56 H new ATOM 0 HE2 LYS B 28 -15.280 -7.213 -7.575 1.00 0.86 H new ATOM 0 HE3 LYS B 28 -13.841 -6.840 -6.646 1.00 0.86 H new ATOM 0 HZ1 LYS B 28 -14.616 -9.282 -6.958 1.00 1.70 H new ATOM 0 HZ2 LYS B 28 -13.972 -8.779 -5.469 1.00 1.70 H new ATOM 0 HZ3 LYS B 28 -15.653 -8.935 -5.659 1.00 1.70 H new ATOM 2078 N LEU B 29 -16.083 -3.494 -0.956 1.00 0.31 N ATOM 2079 CA LEU B 29 -16.738 -2.430 -0.220 1.00 0.28 C ATOM 2080 C LEU B 29 -17.696 -1.661 -1.100 1.00 0.30 C ATOM 2081 O LEU B 29 -17.294 -0.868 -1.953 1.00 0.33 O ATOM 2082 CB LEU B 29 -15.712 -1.463 0.352 1.00 0.26 C ATOM 2083 CG LEU B 29 -14.800 -2.037 1.418 1.00 0.26 C ATOM 2084 CD1 LEU B 29 -13.592 -1.145 1.572 1.00 0.28 C ATOM 2085 CD2 LEU B 29 -15.539 -2.159 2.738 1.00 0.25 C ATOM 0 H LEU B 29 -15.191 -3.226 -1.371 1.00 0.31 H new ATOM 0 HA LEU B 29 -17.297 -2.897 0.591 1.00 0.28 H new ATOM 0 HB2 LEU B 29 -15.096 -1.088 -0.465 1.00 0.26 H new ATOM 0 HB3 LEU B 29 -16.240 -0.607 0.772 1.00 0.26 H new ATOM 0 HG LEU B 29 -14.477 -3.034 1.117 1.00 0.26 H new ATOM 0 HD11 LEU B 29 -12.933 -1.554 2.338 1.00 0.28 H new ATOM 0 HD12 LEU B 29 -13.057 -1.091 0.624 1.00 0.28 H new ATOM 0 HD13 LEU B 29 -13.913 -0.145 1.865 1.00 0.28 H new ATOM 0 HD21 LEU B 29 -14.870 -2.573 3.493 1.00 0.25 H new ATOM 0 HD22 LEU B 29 -15.880 -1.174 3.056 1.00 0.25 H new ATOM 0 HD23 LEU B 29 -16.398 -2.818 2.614 1.00 0.25 H new ATOM 2097 N ASN B 30 -18.959 -1.890 -0.851 1.00 0.31 N ATOM 2098 CA ASN B 30 -20.034 -1.139 -1.459 1.00 0.35 C ATOM 2099 C ASN B 30 -19.999 0.283 -0.931 1.00 0.32 C ATOM 2100 O ASN B 30 -19.424 0.512 0.129 1.00 0.30 O ATOM 2101 CB ASN B 30 -21.353 -1.826 -1.116 1.00 0.41 C ATOM 2102 CG ASN B 30 -21.454 -2.139 0.369 1.00 0.43 C ATOM 2103 OD1 ASN B 30 -22.085 -1.402 1.128 1.00 0.55 O ATOM 2104 ND2 ASN B 30 -20.793 -3.214 0.800 1.00 0.42 N ATOM 0 H ASN B 30 -19.278 -2.616 -0.209 1.00 0.31 H new ATOM 0 HA ASN B 30 -19.928 -1.104 -2.543 1.00 0.35 H new ATOM 0 HB2 ASN B 30 -22.184 -1.185 -1.410 1.00 0.41 H new ATOM 0 HB3 ASN B 30 -21.443 -2.749 -1.689 1.00 0.41 H new ATOM 0 HD21 ASN B 30 -20.798 -3.452 1.792 1.00 0.42 H new ATOM 0 HD22 ASN B 30 -20.283 -3.798 0.138 1.00 0.42 H new ATOM 2111 N LYS B 31 -20.593 1.230 -1.654 1.00 0.35 N ATOM 2112 CA LYS B 31 -20.468 2.649 -1.305 1.00 0.34 C ATOM 2113 C LYS B 31 -20.730 2.895 0.171 1.00 0.31 C ATOM 2114 O LYS B 31 -20.052 3.706 0.794 1.00 0.30 O ATOM 2115 CB LYS B 31 -21.445 3.518 -2.085 1.00 0.41 C ATOM 2116 CG LYS B 31 -21.145 3.678 -3.558 1.00 0.68 C ATOM 2117 CD LYS B 31 -22.171 4.608 -4.178 1.00 0.71 C ATOM 2118 CE LYS B 31 -21.961 4.796 -5.666 1.00 1.15 C ATOM 2119 NZ LYS B 31 -20.788 5.652 -5.965 1.00 1.99 N ATOM 0 H LYS B 31 -21.162 1.046 -2.480 1.00 0.35 H new ATOM 0 HA LYS B 31 -19.442 2.917 -1.557 1.00 0.34 H new ATOM 0 HB2 LYS B 31 -22.444 3.094 -1.980 1.00 0.41 H new ATOM 0 HB3 LYS B 31 -21.468 4.507 -1.628 1.00 0.41 H new ATOM 0 HG2 LYS B 31 -20.142 4.081 -3.695 1.00 0.68 H new ATOM 0 HG3 LYS B 31 -21.170 2.708 -4.054 1.00 0.68 H new ATOM 0 HD2 LYS B 31 -23.170 4.209 -4.003 1.00 0.71 H new ATOM 0 HD3 LYS B 31 -22.124 5.578 -3.683 1.00 0.71 H new ATOM 0 HE2 LYS B 31 -21.827 3.822 -6.138 1.00 1.15 H new ATOM 0 HE3 LYS B 31 -22.854 5.242 -6.103 1.00 1.15 H new ATOM 0 HZ1 LYS B 31 -21.112 6.571 -6.329 1.00 1.99 H new ATOM 0 HZ2 LYS B 31 -20.236 5.800 -5.096 1.00 1.99 H new ATOM 0 HZ3 LYS B 31 -20.192 5.187 -6.679 1.00 1.99 H new ATOM 2133 N SER B 32 -21.719 2.195 0.711 1.00 0.34 N ATOM 2134 CA SER B 32 -22.118 2.362 2.098 1.00 0.37 C ATOM 2135 C SER B 32 -20.925 2.157 3.016 1.00 0.34 C ATOM 2136 O SER B 32 -20.569 3.018 3.817 1.00 0.37 O ATOM 2137 CB SER B 32 -23.202 1.339 2.450 1.00 0.45 C ATOM 2138 OG SER B 32 -23.769 1.605 3.721 1.00 1.33 O ATOM 0 H SER B 32 -22.263 1.499 0.201 1.00 0.34 H new ATOM 0 HA SER B 32 -22.505 3.372 2.231 1.00 0.37 H new ATOM 0 HB2 SER B 32 -23.983 1.358 1.690 1.00 0.45 H new ATOM 0 HB3 SER B 32 -22.775 0.336 2.443 1.00 0.45 H new ATOM 0 HG SER B 32 -24.459 0.937 3.918 1.00 1.33 H new ATOM 2144 N GLU B 33 -20.313 1.009 2.866 1.00 0.32 N ATOM 2145 CA GLU B 33 -19.245 0.579 3.725 1.00 0.34 C ATOM 2146 C GLU B 33 -17.896 1.109 3.273 1.00 0.30 C ATOM 2147 O GLU B 33 -16.972 1.226 4.074 1.00 0.32 O ATOM 2148 CB GLU B 33 -19.334 -0.918 3.759 1.00 0.44 C ATOM 2149 CG GLU B 33 -20.651 -1.297 4.400 1.00 0.59 C ATOM 2150 CD GLU B 33 -20.972 -2.755 4.385 1.00 1.49 C ATOM 2151 OE1 GLU B 33 -20.518 -3.470 3.484 1.00 2.15 O ATOM 2152 OE2 GLU B 33 -21.730 -3.170 5.282 1.00 2.32 O ATOM 0 H GLU B 33 -20.548 0.340 2.133 1.00 0.32 H new ATOM 0 HA GLU B 33 -19.344 0.982 4.733 1.00 0.34 H new ATOM 0 HB2 GLU B 33 -19.271 -1.326 2.750 1.00 0.44 H new ATOM 0 HB3 GLU B 33 -18.501 -1.336 4.325 1.00 0.44 H new ATOM 0 HG2 GLU B 33 -20.645 -0.954 5.435 1.00 0.59 H new ATOM 0 HG3 GLU B 33 -21.452 -0.760 3.891 1.00 0.59 H new ATOM 2159 N LEU B 34 -17.792 1.424 1.991 1.00 0.30 N ATOM 2160 CA LEU B 34 -16.691 2.219 1.491 1.00 0.33 C ATOM 2161 C LEU B 34 -16.654 3.532 2.262 1.00 0.29 C ATOM 2162 O LEU B 34 -15.611 3.947 2.757 1.00 0.30 O ATOM 2163 CB LEU B 34 -16.878 2.485 -0.006 1.00 0.50 C ATOM 2164 CG LEU B 34 -15.776 3.316 -0.668 1.00 0.50 C ATOM 2165 CD1 LEU B 34 -14.488 2.516 -0.715 1.00 1.01 C ATOM 2166 CD2 LEU B 34 -16.193 3.764 -2.068 1.00 0.54 C ATOM 0 H LEU B 34 -18.463 1.137 1.278 1.00 0.30 H new ATOM 0 HA LEU B 34 -15.750 1.686 1.629 1.00 0.33 H new ATOM 0 HB2 LEU B 34 -16.947 1.527 -0.522 1.00 0.50 H new ATOM 0 HB3 LEU B 34 -17.831 2.995 -0.151 1.00 0.50 H new ATOM 0 HG LEU B 34 -15.610 4.214 -0.073 1.00 0.50 H new ATOM 0 HD11 LEU B 34 -13.707 3.112 -1.187 1.00 1.01 H new ATOM 0 HD12 LEU B 34 -14.184 2.256 0.299 1.00 1.01 H new ATOM 0 HD13 LEU B 34 -14.647 1.604 -1.291 1.00 1.01 H new ATOM 0 HD21 LEU B 34 -15.392 4.352 -2.515 1.00 0.54 H new ATOM 0 HD22 LEU B 34 -16.389 2.888 -2.687 1.00 0.54 H new ATOM 0 HD23 LEU B 34 -17.096 4.371 -2.002 1.00 0.54 H new ATOM 2178 N LYS B 35 -17.822 4.164 2.373 1.00 0.28 N ATOM 2179 CA LYS B 35 -17.985 5.360 3.189 1.00 0.29 C ATOM 2180 C LYS B 35 -17.501 5.141 4.612 1.00 0.29 C ATOM 2181 O LYS B 35 -16.620 5.855 5.091 1.00 0.31 O ATOM 2182 CB LYS B 35 -19.449 5.783 3.238 1.00 0.32 C ATOM 2183 CG LYS B 35 -19.925 6.489 1.990 1.00 0.39 C ATOM 2184 CD LYS B 35 -21.384 6.886 2.104 1.00 0.51 C ATOM 2185 CE LYS B 35 -21.812 7.767 0.947 1.00 0.70 C ATOM 2186 NZ LYS B 35 -21.815 7.027 -0.341 1.00 1.29 N ATOM 0 H LYS B 35 -18.675 3.862 1.902 1.00 0.28 H new ATOM 0 HA LYS B 35 -17.383 6.141 2.724 1.00 0.29 H new ATOM 0 HB2 LYS B 35 -20.067 4.900 3.402 1.00 0.32 H new ATOM 0 HB3 LYS B 35 -19.599 6.440 4.095 1.00 0.32 H new ATOM 0 HG2 LYS B 35 -19.317 7.377 1.818 1.00 0.39 H new ATOM 0 HG3 LYS B 35 -19.790 5.837 1.127 1.00 0.39 H new ATOM 0 HD2 LYS B 35 -22.005 5.990 2.130 1.00 0.51 H new ATOM 0 HD3 LYS B 35 -21.546 7.414 3.044 1.00 0.51 H new ATOM 0 HE2 LYS B 35 -22.809 8.162 1.141 1.00 0.70 H new ATOM 0 HE3 LYS B 35 -21.139 8.622 0.873 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 -22.129 7.660 -1.104 1.00 1.29 H new ATOM 0 HZ2 LYS B 35 -20.854 6.686 -0.548 1.00 1.29 H new ATOM 0 HZ3 LYS B 35 -22.463 6.216 -0.274 1.00 1.29 H new ATOM 2200 N GLU B 36 -18.089 4.161 5.282 1.00 0.29 N ATOM 2201 CA GLU B 36 -17.801 3.920 6.686 1.00 0.32 C ATOM 2202 C GLU B 36 -16.332 3.633 6.900 1.00 0.31 C ATOM 2203 O GLU B 36 -15.713 4.192 7.792 1.00 0.39 O ATOM 2204 CB GLU B 36 -18.629 2.761 7.217 1.00 0.36 C ATOM 2205 CG GLU B 36 -20.104 2.929 6.954 1.00 0.37 C ATOM 2206 CD GLU B 36 -20.936 1.823 7.566 1.00 0.51 C ATOM 2207 OE1 GLU B 36 -21.361 1.967 8.731 1.00 1.14 O ATOM 2208 OE2 GLU B 36 -21.164 0.798 6.892 1.00 1.31 O ATOM 0 H GLU B 36 -18.769 3.520 4.874 1.00 0.29 H new ATOM 0 HA GLU B 36 -18.064 4.825 7.233 1.00 0.32 H new ATOM 0 HB2 GLU B 36 -18.286 1.834 6.757 1.00 0.36 H new ATOM 0 HB3 GLU B 36 -18.464 2.664 8.290 1.00 0.36 H new ATOM 0 HG2 GLU B 36 -20.433 3.889 7.353 1.00 0.37 H new ATOM 0 HG3 GLU B 36 -20.276 2.955 5.878 1.00 0.37 H new ATOM 2215 N LEU B 37 -15.780 2.765 6.078 1.00 0.27 N ATOM 2216 CA LEU B 37 -14.376 2.433 6.179 1.00 0.26 C ATOM 2217 C LEU B 37 -13.520 3.677 5.959 1.00 0.27 C ATOM 2218 O LEU B 37 -12.615 3.951 6.728 1.00 0.31 O ATOM 2219 CB LEU B 37 -14.022 1.342 5.169 1.00 0.24 C ATOM 2220 CG LEU B 37 -12.616 0.761 5.300 1.00 0.31 C ATOM 2221 CD1 LEU B 37 -12.583 -0.676 4.814 1.00 0.29 C ATOM 2222 CD2 LEU B 37 -11.622 1.606 4.526 1.00 0.50 C ATOM 0 H LEU B 37 -16.281 2.278 5.335 1.00 0.27 H new ATOM 0 HA LEU B 37 -14.172 2.054 7.180 1.00 0.26 H new ATOM 0 HB2 LEU B 37 -14.743 0.531 5.268 1.00 0.24 H new ATOM 0 HB3 LEU B 37 -14.137 1.749 4.164 1.00 0.24 H new ATOM 0 HG LEU B 37 -12.336 0.772 6.353 1.00 0.31 H new ATOM 0 HD11 LEU B 37 -11.572 -1.071 4.916 1.00 0.29 H new ATOM 0 HD12 LEU B 37 -13.270 -1.277 5.410 1.00 0.29 H new ATOM 0 HD13 LEU B 37 -12.883 -0.713 3.767 1.00 0.29 H new ATOM 0 HD21 LEU B 37 -10.624 1.180 4.629 1.00 0.50 H new ATOM 0 HD22 LEU B 37 -11.902 1.624 3.473 1.00 0.50 H new ATOM 0 HD23 LEU B 37 -11.624 2.622 4.920 1.00 0.50 H new ATOM 2234 N LEU B 38 -13.816 4.438 4.921 1.00 0.27 N ATOM 2235 CA LEU B 38 -13.047 5.640 4.627 1.00 0.29 C ATOM 2236 C LEU B 38 -13.113 6.635 5.780 1.00 0.30 C ATOM 2237 O LEU B 38 -12.089 7.051 6.309 1.00 0.40 O ATOM 2238 CB LEU B 38 -13.550 6.289 3.340 1.00 0.31 C ATOM 2239 CG LEU B 38 -12.735 5.968 2.086 1.00 0.34 C ATOM 2240 CD1 LEU B 38 -11.332 6.533 2.209 1.00 0.31 C ATOM 2241 CD2 LEU B 38 -12.681 4.469 1.841 1.00 0.43 C ATOM 0 H LEU B 38 -14.578 4.249 4.269 1.00 0.27 H new ATOM 0 HA LEU B 38 -12.005 5.348 4.494 1.00 0.29 H new ATOM 0 HB2 LEU B 38 -14.581 5.977 3.173 1.00 0.31 H new ATOM 0 HB3 LEU B 38 -13.563 7.370 3.478 1.00 0.31 H new ATOM 0 HG LEU B 38 -13.228 6.434 1.233 1.00 0.34 H new ATOM 0 HD11 LEU B 38 -10.764 6.296 1.309 1.00 0.31 H new ATOM 0 HD12 LEU B 38 -11.385 7.615 2.331 1.00 0.31 H new ATOM 0 HD13 LEU B 38 -10.838 6.094 3.076 1.00 0.31 H new ATOM 0 HD21 LEU B 38 -12.096 4.268 0.944 1.00 0.43 H new ATOM 0 HD22 LEU B 38 -12.216 3.977 2.695 1.00 0.43 H new ATOM 0 HD23 LEU B 38 -13.693 4.085 1.708 1.00 0.43 H new ATOM 2253 N THR B 39 -14.318 7.023 6.148 1.00 0.31 N ATOM 2254 CA THR B 39 -14.540 7.908 7.288 1.00 0.33 C ATOM 2255 C THR B 39 -13.866 7.417 8.578 1.00 0.34 C ATOM 2256 O THR B 39 -13.257 8.200 9.310 1.00 0.38 O ATOM 2257 CB THR B 39 -16.048 8.059 7.558 1.00 0.33 C ATOM 2258 OG1 THR B 39 -16.642 6.779 7.794 1.00 0.32 O ATOM 2259 CG2 THR B 39 -16.743 8.706 6.378 1.00 0.34 C ATOM 0 H THR B 39 -15.173 6.738 5.670 1.00 0.31 H new ATOM 0 HA THR B 39 -14.091 8.864 7.017 1.00 0.33 H new ATOM 0 HB THR B 39 -16.166 8.690 8.439 1.00 0.33 H new ATOM 0 HG1 THR B 39 -16.649 6.263 6.961 1.00 0.32 H new ATOM 0 HG21 THR B 39 -17.808 8.803 6.591 1.00 0.34 H new ATOM 0 HG22 THR B 39 -16.317 9.694 6.202 1.00 0.34 H new ATOM 0 HG23 THR B 39 -16.605 8.088 5.491 1.00 0.34 H new ATOM 2267 N ARG B 40 -13.982 6.127 8.844 1.00 0.34 N ATOM 2268 CA ARG B 40 -13.605 5.564 10.140 1.00 0.36 C ATOM 2269 C ARG B 40 -12.172 5.043 10.190 1.00 0.40 C ATOM 2270 O ARG B 40 -11.467 5.249 11.180 1.00 0.48 O ATOM 2271 CB ARG B 40 -14.593 4.458 10.498 1.00 0.37 C ATOM 2272 CG ARG B 40 -15.896 4.996 11.052 1.00 0.63 C ATOM 2273 CD ARG B 40 -16.966 3.925 11.107 1.00 0.56 C ATOM 2274 NE ARG B 40 -18.277 4.486 11.426 1.00 1.16 N ATOM 2275 CZ ARG B 40 -19.429 3.918 11.082 1.00 1.51 C ATOM 2276 NH1 ARG B 40 -19.433 2.731 10.489 1.00 1.62 N ATOM 2277 NH2 ARG B 40 -20.576 4.530 11.343 1.00 2.31 N ATOM 0 H ARG B 40 -14.337 5.441 8.177 1.00 0.34 H new ATOM 0 HA ARG B 40 -13.645 6.370 10.872 1.00 0.36 H new ATOM 0 HB2 ARG B 40 -14.800 3.860 9.611 1.00 0.37 H new ATOM 0 HB3 ARG B 40 -14.138 3.793 11.232 1.00 0.37 H new ATOM 0 HG2 ARG B 40 -15.729 5.395 12.052 1.00 0.63 H new ATOM 0 HG3 ARG B 40 -16.241 5.824 10.432 1.00 0.63 H new ATOM 0 HD2 ARG B 40 -17.014 3.410 10.148 1.00 0.56 H new ATOM 0 HD3 ARG B 40 -16.697 3.180 11.856 1.00 0.56 H new ATOM 0 HE ARG B 40 -18.310 5.365 11.943 1.00 1.16 H new ATOM 0 HH11 ARG B 40 -18.552 2.254 10.297 1.00 1.62 H new ATOM 0 HH12 ARG B 40 -20.317 2.296 10.225 1.00 1.62 H new ATOM 0 HH21 ARG B 40 -20.575 5.438 11.808 1.00 2.31 H new ATOM 0 HH22 ARG B 40 -21.459 4.093 11.078 1.00 2.31 H new ATOM 2291 N GLU B 41 -11.751 4.370 9.137 1.00 0.40 N ATOM 2292 CA GLU B 41 -10.431 3.758 9.085 1.00 0.46 C ATOM 2293 C GLU B 41 -9.444 4.699 8.421 1.00 0.54 C ATOM 2294 O GLU B 41 -8.246 4.481 8.480 1.00 0.85 O ATOM 2295 CB GLU B 41 -10.501 2.455 8.290 1.00 0.52 C ATOM 2296 CG GLU B 41 -11.706 1.586 8.633 1.00 0.53 C ATOM 2297 CD GLU B 41 -11.808 1.237 10.103 1.00 0.51 C ATOM 2298 OE1 GLU B 41 -11.248 0.201 10.513 1.00 1.30 O ATOM 2299 OE2 GLU B 41 -12.473 1.974 10.854 1.00 1.02 O ATOM 0 H GLU B 41 -12.309 4.230 8.295 1.00 0.40 H new ATOM 0 HA GLU B 41 -10.098 3.551 10.102 1.00 0.46 H new ATOM 0 HB2 GLU B 41 -10.527 2.691 7.226 1.00 0.52 H new ATOM 0 HB3 GLU B 41 -9.590 1.883 8.468 1.00 0.52 H new ATOM 0 HG2 GLU B 41 -12.615 2.105 8.328 1.00 0.53 H new ATOM 0 HG3 GLU B 41 -11.655 0.665 8.053 1.00 0.53 H new ATOM 2306 N LEU B 42 -9.958 5.738 7.771 1.00 0.40 N ATOM 2307 CA LEU B 42 -9.104 6.751 7.163 1.00 0.41 C ATOM 2308 C LEU B 42 -9.567 8.179 7.492 1.00 0.37 C ATOM 2309 O LEU B 42 -9.786 8.991 6.585 1.00 0.35 O ATOM 2310 CB LEU B 42 -9.052 6.534 5.651 1.00 0.44 C ATOM 2311 CG LEU B 42 -8.283 5.285 5.219 1.00 0.50 C ATOM 2312 CD1 LEU B 42 -8.632 4.908 3.796 1.00 0.65 C ATOM 2313 CD2 LEU B 42 -6.789 5.517 5.348 1.00 0.74 C ATOM 0 H LEU B 42 -10.958 5.900 7.652 1.00 0.40 H new ATOM 0 HA LEU B 42 -8.104 6.643 7.583 1.00 0.41 H new ATOM 0 HB2 LEU B 42 -10.071 6.468 5.270 1.00 0.44 H new ATOM 0 HB3 LEU B 42 -8.594 7.407 5.186 1.00 0.44 H new ATOM 0 HG LEU B 42 -8.570 4.462 5.874 1.00 0.50 H new ATOM 0 HD11 LEU B 42 -8.074 4.017 3.508 1.00 0.65 H new ATOM 0 HD12 LEU B 42 -9.701 4.706 3.725 1.00 0.65 H new ATOM 0 HD13 LEU B 42 -8.373 5.729 3.128 1.00 0.65 H new ATOM 0 HD21 LEU B 42 -6.253 4.620 5.037 1.00 0.74 H new ATOM 0 HD22 LEU B 42 -6.495 6.353 4.714 1.00 0.74 H new ATOM 0 HD23 LEU B 42 -6.544 5.745 6.386 1.00 0.74 H new ATOM 2325 N PRO B 43 -9.713 8.506 8.799 1.00 0.40 N ATOM 2326 CA PRO B 43 -10.118 9.840 9.259 1.00 0.43 C ATOM 2327 C PRO B 43 -9.346 10.979 8.627 1.00 0.45 C ATOM 2328 O PRO B 43 -9.924 11.990 8.254 1.00 0.49 O ATOM 2329 CB PRO B 43 -9.821 9.809 10.748 1.00 0.50 C ATOM 2330 CG PRO B 43 -9.973 8.385 11.134 1.00 0.48 C ATOM 2331 CD PRO B 43 -9.541 7.581 9.939 1.00 0.44 C ATOM 0 HA PRO B 43 -11.159 10.028 8.994 1.00 0.43 H new ATOM 0 HB2 PRO B 43 -8.815 10.171 10.958 1.00 0.50 H new ATOM 0 HB3 PRO B 43 -10.511 10.445 11.303 1.00 0.50 H new ATOM 0 HG2 PRO B 43 -9.360 8.150 12.004 1.00 0.48 H new ATOM 0 HG3 PRO B 43 -11.006 8.162 11.401 1.00 0.48 H new ATOM 0 HD2 PRO B 43 -8.506 7.253 10.033 1.00 0.44 H new ATOM 0 HD3 PRO B 43 -10.150 6.685 9.820 1.00 0.44 H new ATOM 2339 N SER B 44 -8.044 10.840 8.540 1.00 0.45 N ATOM 2340 CA SER B 44 -7.234 11.878 7.950 1.00 0.47 C ATOM 2341 C SER B 44 -7.560 12.016 6.467 1.00 0.44 C ATOM 2342 O SER B 44 -7.958 13.091 6.004 1.00 0.45 O ATOM 2343 CB SER B 44 -5.756 11.572 8.151 1.00 0.51 C ATOM 2344 OG SER B 44 -4.932 12.604 7.632 1.00 0.59 O ATOM 0 H SER B 44 -7.526 10.024 8.868 1.00 0.45 H new ATOM 0 HA SER B 44 -7.457 12.825 8.442 1.00 0.47 H new ATOM 0 HB2 SER B 44 -5.552 11.443 9.214 1.00 0.51 H new ATOM 0 HB3 SER B 44 -5.510 10.629 7.663 1.00 0.51 H new ATOM 0 HG SER B 44 -3.990 12.376 7.779 1.00 0.59 H new ATOM 2350 N PHE B 45 -7.448 10.905 5.742 1.00 0.41 N ATOM 2351 CA PHE B 45 -7.598 10.925 4.295 1.00 0.41 C ATOM 2352 C PHE B 45 -8.972 11.432 3.884 1.00 0.41 C ATOM 2353 O PHE B 45 -9.095 12.471 3.233 1.00 0.46 O ATOM 2354 CB PHE B 45 -7.387 9.539 3.688 1.00 0.45 C ATOM 2355 CG PHE B 45 -7.353 9.598 2.184 1.00 1.06 C ATOM 2356 CD1 PHE B 45 -6.178 9.901 1.515 1.00 1.81 C ATOM 2357 CD2 PHE B 45 -8.504 9.391 1.443 1.00 1.83 C ATOM 2358 CE1 PHE B 45 -6.153 9.989 0.135 1.00 2.37 C ATOM 2359 CE2 PHE B 45 -8.486 9.485 0.066 1.00 2.38 C ATOM 2360 CZ PHE B 45 -7.308 9.781 -0.589 1.00 2.40 C ATOM 0 H PHE B 45 -7.254 9.984 6.135 1.00 0.41 H new ATOM 0 HA PHE B 45 -6.833 11.604 3.917 1.00 0.41 H new ATOM 0 HB2 PHE B 45 -6.453 9.116 4.058 1.00 0.45 H new ATOM 0 HB3 PHE B 45 -8.188 8.873 4.010 1.00 0.45 H new ATOM 0 HD1 PHE B 45 -5.272 10.070 2.077 1.00 1.81 H new ATOM 0 HD2 PHE B 45 -9.428 9.153 1.949 1.00 1.83 H new ATOM 0 HE1 PHE B 45 -5.230 10.220 -0.375 1.00 2.37 H new ATOM 0 HE2 PHE B 45 -9.393 9.327 -0.498 1.00 2.38 H new ATOM 0 HZ PHE B 45 -7.291 9.850 -1.667 1.00 2.40 H new ATOM 2370 N LEU B 46 -10.002 10.701 4.272 1.00 0.45 N ATOM 2371 CA LEU B 46 -11.345 11.010 3.818 1.00 0.57 C ATOM 2372 C LEU B 46 -12.045 11.943 4.777 1.00 0.65 C ATOM 2373 O LEU B 46 -12.879 12.721 4.364 1.00 0.66 O ATOM 2374 CB LEU B 46 -12.169 9.741 3.636 1.00 0.67 C ATOM 2375 CG LEU B 46 -12.921 9.626 2.313 1.00 0.57 C ATOM 2376 CD1 LEU B 46 -14.250 10.318 2.454 1.00 0.71 C ATOM 2377 CD2 LEU B 46 -12.119 10.217 1.159 1.00 0.54 C ATOM 0 H LEU B 46 -9.935 9.896 4.895 1.00 0.45 H new ATOM 0 HA LEU B 46 -11.253 11.508 2.853 1.00 0.57 H new ATOM 0 HB2 LEU B 46 -11.505 8.882 3.732 1.00 0.67 H new ATOM 0 HB3 LEU B 46 -12.891 9.678 4.450 1.00 0.67 H new ATOM 0 HG LEU B 46 -13.076 8.572 2.081 1.00 0.57 H new ATOM 0 HD11 LEU B 46 -14.800 10.244 1.516 1.00 0.71 H new ATOM 0 HD12 LEU B 46 -14.825 9.844 3.250 1.00 0.71 H new ATOM 0 HD13 LEU B 46 -14.089 11.368 2.699 1.00 0.71 H new ATOM 0 HD21 LEU B 46 -12.686 10.117 0.233 1.00 0.54 H new ATOM 0 HD22 LEU B 46 -11.925 11.272 1.354 1.00 0.54 H new ATOM 0 HD23 LEU B 46 -11.172 9.685 1.064 1.00 0.54 H new ATOM 2389 N GLY B 47 -11.704 11.875 6.054 1.00 0.74 N ATOM 2390 CA GLY B 47 -12.330 12.758 7.026 1.00 0.90 C ATOM 2391 C GLY B 47 -12.097 14.215 6.688 1.00 0.89 C ATOM 2392 O GLY B 47 -12.905 15.081 7.033 1.00 0.99 O ATOM 0 H GLY B 47 -11.011 11.231 6.437 1.00 0.74 H new ATOM 0 HA2 GLY B 47 -13.401 12.559 7.062 1.00 0.90 H new ATOM 0 HA3 GLY B 47 -11.933 12.546 8.019 1.00 0.90 H new ATOM 2396 N LYS B 48 -10.989 14.478 6.005 1.00 0.79 N ATOM 2397 CA LYS B 48 -10.675 15.816 5.527 1.00 0.82 C ATOM 2398 C LYS B 48 -11.573 16.204 4.346 1.00 0.78 C ATOM 2399 O LYS B 48 -11.680 17.381 3.995 1.00 0.87 O ATOM 2400 CB LYS B 48 -9.210 15.859 5.103 1.00 0.81 C ATOM 2401 CG LYS B 48 -8.628 17.255 4.989 1.00 1.08 C ATOM 2402 CD LYS B 48 -8.496 17.915 6.348 1.00 1.51 C ATOM 2403 CE LYS B 48 -7.776 19.244 6.242 1.00 2.27 C ATOM 2404 NZ LYS B 48 -8.555 20.242 5.464 1.00 3.17 N ATOM 0 H LYS B 48 -10.289 13.775 5.769 1.00 0.79 H new ATOM 0 HA LYS B 48 -10.853 16.530 6.331 1.00 0.82 H new ATOM 0 HB2 LYS B 48 -8.620 15.291 5.822 1.00 0.81 H new ATOM 0 HB3 LYS B 48 -9.109 15.357 4.141 1.00 0.81 H new ATOM 0 HG2 LYS B 48 -7.650 17.204 4.511 1.00 1.08 H new ATOM 0 HG3 LYS B 48 -9.265 17.864 4.348 1.00 1.08 H new ATOM 0 HD2 LYS B 48 -9.485 18.067 6.779 1.00 1.51 H new ATOM 0 HD3 LYS B 48 -7.952 17.256 7.024 1.00 1.51 H new ATOM 0 HE2 LYS B 48 -7.586 19.633 7.242 1.00 2.27 H new ATOM 0 HE3 LYS B 48 -6.806 19.093 5.769 1.00 2.27 H new ATOM 0 HZ1 LYS B 48 -8.075 21.164 5.502 1.00 3.17 H new ATOM 0 HZ2 LYS B 48 -8.628 19.930 4.474 1.00 3.17 H new ATOM 0 HZ3 LYS B 48 -9.508 20.331 5.870 1.00 3.17 H new ATOM 2418 N ARG B 49 -12.231 15.213 3.749 1.00 0.73 N ATOM 2419 CA ARG B 49 -13.005 15.419 2.529 1.00 0.81 C ATOM 2420 C ARG B 49 -14.086 14.333 2.391 1.00 0.74 C ATOM 2421 O ARG B 49 -14.081 13.553 1.439 1.00 1.00 O ATOM 2422 CB ARG B 49 -12.046 15.385 1.327 1.00 0.95 C ATOM 2423 CG ARG B 49 -12.468 16.237 0.135 1.00 1.17 C ATOM 2424 CD ARG B 49 -13.693 15.686 -0.571 1.00 1.01 C ATOM 2425 NE ARG B 49 -13.975 16.401 -1.817 1.00 1.61 N ATOM 2426 CZ ARG B 49 -15.138 16.986 -2.104 1.00 1.86 C ATOM 2427 NH1 ARG B 49 -16.110 17.039 -1.200 1.00 2.13 N ATOM 2428 NH2 ARG B 49 -15.318 17.543 -3.294 1.00 2.50 N ATOM 0 H ARG B 49 -12.243 14.253 4.094 1.00 0.73 H new ATOM 0 HA ARG B 49 -13.507 16.386 2.568 1.00 0.81 H new ATOM 0 HB2 ARG B 49 -11.062 15.715 1.659 1.00 0.95 H new ATOM 0 HB3 ARG B 49 -11.941 14.352 0.996 1.00 0.95 H new ATOM 0 HG2 ARG B 49 -12.674 17.252 0.474 1.00 1.17 H new ATOM 0 HG3 ARG B 49 -11.642 16.299 -0.573 1.00 1.17 H new ATOM 0 HD2 ARG B 49 -13.542 14.628 -0.786 1.00 1.01 H new ATOM 0 HD3 ARG B 49 -14.556 15.757 0.091 1.00 1.01 H new ATOM 0 HE ARG B 49 -13.231 16.455 -2.513 1.00 1.61 H new ATOM 0 HH11 ARG B 49 -15.970 16.630 -0.276 1.00 2.13 H new ATOM 0 HH12 ARG B 49 -16.996 17.489 -1.430 1.00 2.13 H new ATOM 0 HH21 ARG B 49 -14.568 17.523 -3.985 1.00 2.50 H new ATOM 0 HH22 ARG B 49 -16.206 17.992 -3.518 1.00 2.50 H new ATOM 2442 N THR B 50 -15.002 14.270 3.353 1.00 0.75 N ATOM 2443 CA THR B 50 -16.064 13.276 3.324 1.00 0.72 C ATOM 2444 C THR B 50 -17.274 13.825 2.579 1.00 0.82 C ATOM 2445 O THR B 50 -17.881 14.806 3.014 1.00 1.33 O ATOM 2446 CB THR B 50 -16.511 12.871 4.738 1.00 0.73 C ATOM 2447 OG1 THR B 50 -16.650 14.036 5.562 1.00 0.83 O ATOM 2448 CG2 THR B 50 -15.520 11.911 5.363 1.00 0.63 C ATOM 0 H THR B 50 -15.028 14.895 4.159 1.00 0.75 H new ATOM 0 HA THR B 50 -15.664 12.398 2.817 1.00 0.72 H new ATOM 0 HB THR B 50 -17.475 12.368 4.661 1.00 0.73 H new ATOM 0 HG1 THR B 50 -17.089 14.748 5.051 1.00 0.83 H new ATOM 0 HG21 THR B 50 -15.858 11.639 6.363 1.00 0.63 H new ATOM 0 HG22 THR B 50 -15.446 11.014 4.749 1.00 0.63 H new ATOM 0 HG23 THR B 50 -14.542 12.388 5.428 1.00 0.63 H new ATOM 2456 N ASP B 51 -17.617 13.218 1.460 1.00 0.57 N ATOM 2457 CA ASP B 51 -18.760 13.671 0.680 1.00 0.61 C ATOM 2458 C ASP B 51 -19.229 12.565 -0.247 1.00 0.58 C ATOM 2459 O ASP B 51 -18.402 11.798 -0.734 1.00 0.54 O ATOM 2460 CB ASP B 51 -18.383 14.913 -0.132 1.00 0.68 C ATOM 2461 CG ASP B 51 -19.567 15.534 -0.835 1.00 1.25 C ATOM 2462 OD1 ASP B 51 -20.253 16.378 -0.219 1.00 2.01 O ATOM 2463 OD2 ASP B 51 -19.815 15.190 -2.005 1.00 1.77 O ATOM 0 H ASP B 51 -17.126 12.414 1.069 1.00 0.57 H new ATOM 0 HA ASP B 51 -19.572 13.928 1.361 1.00 0.61 H new ATOM 0 HB2 ASP B 51 -17.931 15.651 0.531 1.00 0.68 H new ATOM 0 HB3 ASP B 51 -17.628 14.643 -0.871 1.00 0.68 H new ATOM 2468 N GLU B 52 -20.533 12.464 -0.481 1.00 0.67 N ATOM 2469 CA GLU B 52 -21.066 11.412 -1.350 1.00 0.71 C ATOM 2470 C GLU B 52 -20.348 11.408 -2.688 1.00 0.66 C ATOM 2471 O GLU B 52 -19.948 10.353 -3.179 1.00 0.63 O ATOM 2472 CB GLU B 52 -22.566 11.576 -1.590 1.00 0.87 C ATOM 2473 CG GLU B 52 -23.396 11.561 -0.322 1.00 0.95 C ATOM 2474 CD GLU B 52 -24.881 11.561 -0.609 1.00 1.31 C ATOM 2475 OE1 GLU B 52 -25.441 10.472 -0.849 1.00 1.82 O ATOM 2476 OE2 GLU B 52 -25.497 12.646 -0.604 1.00 1.90 O ATOM 0 H GLU B 52 -21.237 13.089 -0.088 1.00 0.67 H new ATOM 0 HA GLU B 52 -20.899 10.465 -0.838 1.00 0.71 H new ATOM 0 HB2 GLU B 52 -22.739 12.515 -2.115 1.00 0.87 H new ATOM 0 HB3 GLU B 52 -22.909 10.776 -2.246 1.00 0.87 H new ATOM 0 HG2 GLU B 52 -23.142 10.679 0.266 1.00 0.95 H new ATOM 0 HG3 GLU B 52 -23.145 12.431 0.284 1.00 0.95 H new ATOM 2483 N ALA B 53 -20.161 12.594 -3.251 1.00 0.71 N ATOM 2484 CA ALA B 53 -19.483 12.735 -4.530 1.00 0.76 C ATOM 2485 C ALA B 53 -18.012 12.353 -4.402 1.00 0.66 C ATOM 2486 O ALA B 53 -17.430 11.777 -5.318 1.00 0.68 O ATOM 2487 CB ALA B 53 -19.627 14.154 -5.056 1.00 0.91 C ATOM 0 H ALA B 53 -20.471 13.474 -2.840 1.00 0.71 H new ATOM 0 HA ALA B 53 -19.950 12.057 -5.244 1.00 0.76 H new ATOM 0 HB1 ALA B 53 -19.114 14.241 -6.014 1.00 0.91 H new ATOM 0 HB2 ALA B 53 -20.683 14.388 -5.188 1.00 0.91 H new ATOM 0 HB3 ALA B 53 -19.187 14.852 -4.344 1.00 0.91 H new ATOM 2493 N ALA B 54 -17.420 12.661 -3.256 1.00 0.59 N ATOM 2494 CA ALA B 54 -16.039 12.285 -2.989 1.00 0.58 C ATOM 2495 C ALA B 54 -15.905 10.767 -2.964 1.00 0.48 C ATOM 2496 O ALA B 54 -15.044 10.202 -3.634 1.00 0.45 O ATOM 2497 CB ALA B 54 -15.560 12.884 -1.677 1.00 0.64 C ATOM 0 H ALA B 54 -17.874 13.170 -2.497 1.00 0.59 H new ATOM 0 HA ALA B 54 -15.412 12.680 -3.789 1.00 0.58 H new ATOM 0 HB1 ALA B 54 -14.526 12.589 -1.499 1.00 0.64 H new ATOM 0 HB2 ALA B 54 -15.624 13.971 -1.728 1.00 0.64 H new ATOM 0 HB3 ALA B 54 -16.186 12.522 -0.862 1.00 0.64 H new ATOM 2503 N PHE B 55 -16.774 10.116 -2.194 1.00 0.46 N ATOM 2504 CA PHE B 55 -16.848 8.656 -2.171 1.00 0.42 C ATOM 2505 C PHE B 55 -17.132 8.104 -3.562 1.00 0.44 C ATOM 2506 O PHE B 55 -16.644 7.048 -3.930 1.00 0.45 O ATOM 2507 CB PHE B 55 -17.954 8.186 -1.232 1.00 0.43 C ATOM 2508 CG PHE B 55 -17.699 8.465 0.219 1.00 1.06 C ATOM 2509 CD1 PHE B 55 -16.714 7.781 0.909 1.00 1.97 C ATOM 2510 CD2 PHE B 55 -18.456 9.406 0.898 1.00 1.87 C ATOM 2511 CE1 PHE B 55 -16.492 8.032 2.249 1.00 2.77 C ATOM 2512 CE2 PHE B 55 -18.236 9.662 2.234 1.00 2.69 C ATOM 2513 CZ PHE B 55 -17.255 8.975 2.911 1.00 2.95 C ATOM 0 H PHE B 55 -17.440 10.579 -1.575 1.00 0.46 H new ATOM 0 HA PHE B 55 -15.884 8.289 -1.820 1.00 0.42 H new ATOM 0 HB2 PHE B 55 -18.888 8.667 -1.522 1.00 0.43 H new ATOM 0 HB3 PHE B 55 -18.093 7.113 -1.364 1.00 0.43 H new ATOM 0 HD1 PHE B 55 -16.114 7.045 0.396 1.00 1.97 H new ATOM 0 HD2 PHE B 55 -19.229 9.947 0.373 1.00 1.87 H new ATOM 0 HE1 PHE B 55 -15.722 7.491 2.779 1.00 2.77 H new ATOM 0 HE2 PHE B 55 -18.833 10.401 2.749 1.00 2.69 H new ATOM 0 HZ PHE B 55 -17.081 9.172 3.959 1.00 2.95 H new ATOM 2523 N GLN B 56 -17.953 8.822 -4.307 1.00 0.48 N ATOM 2524 CA GLN B 56 -18.315 8.456 -5.670 1.00 0.54 C ATOM 2525 C GLN B 56 -17.082 8.436 -6.570 1.00 0.53 C ATOM 2526 O GLN B 56 -16.834 7.452 -7.268 1.00 0.56 O ATOM 2527 CB GLN B 56 -19.351 9.461 -6.175 1.00 0.62 C ATOM 2528 CG GLN B 56 -19.677 9.380 -7.655 1.00 0.76 C ATOM 2529 CD GLN B 56 -20.285 8.058 -8.068 1.00 0.97 C ATOM 2530 OE1 GLN B 56 -21.491 7.853 -7.959 1.00 1.69 O ATOM 2531 NE2 GLN B 56 -19.461 7.162 -8.573 1.00 0.87 N ATOM 0 H GLN B 56 -18.393 9.683 -3.983 1.00 0.48 H new ATOM 0 HA GLN B 56 -18.739 7.452 -5.688 1.00 0.54 H new ATOM 0 HB2 GLN B 56 -20.273 9.320 -5.610 1.00 0.62 H new ATOM 0 HB3 GLN B 56 -18.993 10.467 -5.955 1.00 0.62 H new ATOM 0 HG2 GLN B 56 -20.367 10.184 -7.911 1.00 0.76 H new ATOM 0 HG3 GLN B 56 -18.766 9.547 -8.229 1.00 0.76 H new ATOM 0 HE21 GLN B 56 -18.465 7.370 -8.647 1.00 0.87 H new ATOM 0 HE22 GLN B 56 -19.819 6.261 -8.890 1.00 0.87 H new ATOM 2540 N LYS B 57 -16.312 9.516 -6.539 1.00 0.51 N ATOM 2541 CA LYS B 57 -15.087 9.594 -7.319 1.00 0.51 C ATOM 2542 C LYS B 57 -14.068 8.580 -6.820 1.00 0.47 C ATOM 2543 O LYS B 57 -13.467 7.859 -7.614 1.00 0.47 O ATOM 2544 CB LYS B 57 -14.491 11.004 -7.278 1.00 0.55 C ATOM 2545 CG LYS B 57 -14.767 11.822 -8.534 1.00 0.76 C ATOM 2546 CD LYS B 57 -16.244 12.160 -8.692 1.00 1.00 C ATOM 2547 CE LYS B 57 -16.670 13.286 -7.758 1.00 0.86 C ATOM 2548 NZ LYS B 57 -15.906 14.540 -7.999 1.00 1.60 N ATOM 0 H LYS B 57 -16.514 10.347 -5.983 1.00 0.51 H new ATOM 0 HA LYS B 57 -15.338 9.361 -8.354 1.00 0.51 H new ATOM 0 HB2 LYS B 57 -14.893 11.534 -6.414 1.00 0.55 H new ATOM 0 HB3 LYS B 57 -13.413 10.929 -7.133 1.00 0.55 H new ATOM 0 HG2 LYS B 57 -14.187 12.744 -8.499 1.00 0.76 H new ATOM 0 HG3 LYS B 57 -14.428 11.266 -9.408 1.00 0.76 H new ATOM 0 HD2 LYS B 57 -16.442 12.449 -9.724 1.00 1.00 H new ATOM 0 HD3 LYS B 57 -16.844 11.273 -8.489 1.00 1.00 H new ATOM 0 HE2 LYS B 57 -17.734 13.481 -7.889 1.00 0.86 H new ATOM 0 HE3 LYS B 57 -16.529 12.970 -6.724 1.00 0.86 H new ATOM 0 HZ1 LYS B 57 -16.439 15.349 -7.621 1.00 1.60 H new ATOM 0 HZ2 LYS B 57 -14.983 14.481 -7.523 1.00 1.60 H new ATOM 0 HZ3 LYS B 57 -15.761 14.667 -9.021 1.00 1.60 H new ATOM 2562 N LEU B 58 -13.896 8.511 -5.504 1.00 0.45 N ATOM 2563 CA LEU B 58 -12.960 7.571 -4.903 1.00 0.43 C ATOM 2564 C LEU B 58 -13.304 6.150 -5.299 1.00 0.42 C ATOM 2565 O LEU B 58 -12.430 5.367 -5.657 1.00 0.41 O ATOM 2566 CB LEU B 58 -12.986 7.687 -3.384 1.00 0.43 C ATOM 2567 CG LEU B 58 -11.812 7.022 -2.681 1.00 0.39 C ATOM 2568 CD1 LEU B 58 -10.505 7.640 -3.143 1.00 0.39 C ATOM 2569 CD2 LEU B 58 -11.964 7.141 -1.180 1.00 0.40 C ATOM 0 H LEU B 58 -14.394 9.096 -4.833 1.00 0.45 H new ATOM 0 HA LEU B 58 -11.962 7.815 -5.266 1.00 0.43 H new ATOM 0 HB2 LEU B 58 -13.005 8.743 -3.113 1.00 0.43 H new ATOM 0 HB3 LEU B 58 -13.912 7.246 -3.014 1.00 0.43 H new ATOM 0 HG LEU B 58 -11.799 5.963 -2.940 1.00 0.39 H new ATOM 0 HD11 LEU B 58 -9.673 7.155 -2.632 1.00 0.39 H new ATOM 0 HD12 LEU B 58 -10.399 7.505 -4.219 1.00 0.39 H new ATOM 0 HD13 LEU B 58 -10.503 8.705 -2.909 1.00 0.39 H new ATOM 0 HD21 LEU B 58 -11.117 6.661 -0.689 1.00 0.40 H new ATOM 0 HD22 LEU B 58 -11.997 8.194 -0.900 1.00 0.40 H new ATOM 0 HD23 LEU B 58 -12.888 6.654 -0.868 1.00 0.40 H new ATOM 2581 N MET B 59 -14.586 5.834 -5.226 1.00 0.45 N ATOM 2582 CA MET B 59 -15.095 4.548 -5.662 1.00 0.48 C ATOM 2583 C MET B 59 -14.588 4.240 -7.053 1.00 0.48 C ATOM 2584 O MET B 59 -13.854 3.288 -7.245 1.00 0.48 O ATOM 2585 CB MET B 59 -16.618 4.567 -5.665 1.00 0.54 C ATOM 2586 CG MET B 59 -17.242 3.299 -6.205 1.00 0.57 C ATOM 2587 SD MET B 59 -18.762 3.634 -7.102 1.00 1.64 S ATOM 2588 CE MET B 59 -18.095 4.370 -8.594 1.00 2.39 C ATOM 0 H MET B 59 -15.302 6.463 -4.863 1.00 0.45 H new ATOM 0 HA MET B 59 -14.748 3.777 -4.974 1.00 0.48 H new ATOM 0 HB2 MET B 59 -16.972 4.731 -4.647 1.00 0.54 H new ATOM 0 HB3 MET B 59 -16.961 5.412 -6.262 1.00 0.54 H new ATOM 0 HG2 MET B 59 -16.534 2.797 -6.864 1.00 0.57 H new ATOM 0 HG3 MET B 59 -17.449 2.616 -5.381 1.00 0.57 H new ATOM 0 HE1 MET B 59 -18.895 4.508 -9.321 1.00 2.39 H new ATOM 0 HE2 MET B 59 -17.651 5.337 -8.356 1.00 2.39 H new ATOM 0 HE3 MET B 59 -17.332 3.714 -9.014 1.00 2.39 H new ATOM 2598 N SER B 60 -14.927 5.098 -8.001 1.00 0.49 N ATOM 2599 CA SER B 60 -14.542 4.896 -9.392 1.00 0.52 C ATOM 2600 C SER B 60 -13.022 4.819 -9.550 1.00 0.51 C ATOM 2601 O SER B 60 -12.517 4.244 -10.515 1.00 0.55 O ATOM 2602 CB SER B 60 -15.131 6.000 -10.274 1.00 0.55 C ATOM 2603 OG SER B 60 -15.014 7.273 -9.664 1.00 1.34 O ATOM 0 H SER B 60 -15.470 5.945 -7.834 1.00 0.49 H new ATOM 0 HA SER B 60 -14.949 3.939 -9.717 1.00 0.52 H new ATOM 0 HB2 SER B 60 -14.620 6.009 -11.237 1.00 0.55 H new ATOM 0 HB3 SER B 60 -16.181 5.786 -10.473 1.00 0.55 H new ATOM 0 HG SER B 60 -14.209 7.295 -9.106 1.00 1.34 H new ATOM 2609 N ASN B 61 -12.298 5.400 -8.602 1.00 0.48 N ATOM 2610 CA ASN B 61 -10.845 5.370 -8.634 1.00 0.50 C ATOM 2611 C ASN B 61 -10.319 3.988 -8.287 1.00 0.49 C ATOM 2612 O ASN B 61 -9.505 3.416 -9.011 1.00 0.56 O ATOM 2613 CB ASN B 61 -10.240 6.383 -7.652 1.00 0.49 C ATOM 2614 CG ASN B 61 -10.468 7.822 -8.058 1.00 0.58 C ATOM 2615 OD1 ASN B 61 -10.564 8.138 -9.243 1.00 0.79 O ATOM 2616 ND2 ASN B 61 -10.553 8.710 -7.078 1.00 0.57 N ATOM 0 H ASN B 61 -12.694 5.896 -7.804 1.00 0.48 H new ATOM 0 HA ASN B 61 -10.549 5.632 -9.650 1.00 0.50 H new ATOM 0 HB2 ASN B 61 -10.668 6.220 -6.663 1.00 0.49 H new ATOM 0 HB3 ASN B 61 -9.168 6.202 -7.569 1.00 0.49 H new ATOM 0 HD21 ASN B 61 -10.703 9.695 -7.294 1.00 0.57 H new ATOM 0 HD22 ASN B 61 -10.468 8.408 -6.107 1.00 0.57 H new ATOM 2623 N LEU B 62 -10.797 3.465 -7.173 1.00 0.44 N ATOM 2624 CA LEU B 62 -10.291 2.215 -6.628 1.00 0.43 C ATOM 2625 C LEU B 62 -11.009 1.043 -7.267 1.00 0.48 C ATOM 2626 O LEU B 62 -10.379 0.111 -7.762 1.00 0.55 O ATOM 2627 CB LEU B 62 -10.509 2.192 -5.116 1.00 0.38 C ATOM 2628 CG LEU B 62 -10.477 3.562 -4.435 1.00 0.34 C ATOM 2629 CD1 LEU B 62 -10.773 3.429 -2.950 1.00 0.31 C ATOM 2630 CD2 LEU B 62 -9.145 4.261 -4.675 1.00 0.35 C ATOM 0 H LEU B 62 -11.543 3.890 -6.622 1.00 0.44 H new ATOM 0 HA LEU B 62 -9.225 2.136 -6.842 1.00 0.43 H new ATOM 0 HB2 LEU B 62 -11.472 1.724 -4.910 1.00 0.38 H new ATOM 0 HB3 LEU B 62 -9.744 1.561 -4.664 1.00 0.38 H new ATOM 0 HG LEU B 62 -11.256 4.182 -4.878 1.00 0.34 H new ATOM 0 HD11 LEU B 62 -10.746 4.414 -2.484 1.00 0.31 H new ATOM 0 HD12 LEU B 62 -11.762 2.991 -2.814 1.00 0.31 H new ATOM 0 HD13 LEU B 62 -10.024 2.787 -2.486 1.00 0.31 H new ATOM 0 HD21 LEU B 62 -9.149 5.232 -4.180 1.00 0.35 H new ATOM 0 HD22 LEU B 62 -8.336 3.652 -4.271 1.00 0.35 H new ATOM 0 HD23 LEU B 62 -8.995 4.400 -5.746 1.00 0.35 H new ATOM 2642 N ASP B 63 -12.336 1.132 -7.247 1.00 0.48 N ATOM 2643 CA ASP B 63 -13.236 0.160 -7.866 1.00 0.53 C ATOM 2644 C ASP B 63 -12.963 0.091 -9.366 1.00 0.57 C ATOM 2645 O ASP B 63 -13.641 0.712 -10.173 1.00 0.62 O ATOM 2646 CB ASP B 63 -14.685 0.594 -7.556 1.00 0.56 C ATOM 2647 CG ASP B 63 -15.777 -0.108 -8.348 1.00 0.67 C ATOM 2648 OD1 ASP B 63 -15.892 -1.344 -8.274 1.00 1.34 O ATOM 2649 OD2 ASP B 63 -16.573 0.599 -9.007 1.00 1.24 O ATOM 0 H ASP B 63 -12.828 1.899 -6.790 1.00 0.48 H new ATOM 0 HA ASP B 63 -13.076 -0.842 -7.467 1.00 0.53 H new ATOM 0 HB2 ASP B 63 -14.872 0.431 -6.495 1.00 0.56 H new ATOM 0 HB3 ASP B 63 -14.768 1.666 -7.734 1.00 0.56 H new ATOM 2654 N SER B 64 -11.925 -0.647 -9.717 1.00 0.58 N ATOM 2655 CA SER B 64 -11.493 -0.783 -11.094 1.00 0.64 C ATOM 2656 C SER B 64 -12.374 -1.789 -11.804 1.00 0.65 C ATOM 2657 O SER B 64 -12.521 -1.765 -13.024 1.00 0.75 O ATOM 2658 CB SER B 64 -10.032 -1.225 -11.134 1.00 0.72 C ATOM 2659 OG SER B 64 -9.230 -0.378 -10.324 1.00 1.38 O ATOM 0 H SER B 64 -11.357 -1.170 -9.051 1.00 0.58 H new ATOM 0 HA SER B 64 -11.579 0.178 -11.602 1.00 0.64 H new ATOM 0 HB2 SER B 64 -9.949 -2.255 -10.786 1.00 0.72 H new ATOM 0 HB3 SER B 64 -9.669 -1.205 -12.161 1.00 0.72 H new ATOM 0 HG SER B 64 -9.584 -0.369 -9.410 1.00 1.38 H new ATOM 2665 N ASN B 65 -12.957 -2.677 -11.014 1.00 0.63 N ATOM 2666 CA ASN B 65 -13.916 -3.645 -11.516 1.00 0.72 C ATOM 2667 C ASN B 65 -15.238 -2.940 -11.832 1.00 0.69 C ATOM 2668 O ASN B 65 -16.103 -3.469 -12.534 1.00 0.77 O ATOM 2669 CB ASN B 65 -14.128 -4.761 -10.487 1.00 0.79 C ATOM 2670 CG ASN B 65 -15.028 -4.321 -9.358 1.00 1.01 C ATOM 2671 OD1 ASN B 65 -16.221 -4.601 -9.366 1.00 1.65 O ATOM 2672 ND2 ASN B 65 -14.469 -3.632 -8.384 1.00 1.16 N ATOM 0 H ASN B 65 -12.779 -2.746 -10.012 1.00 0.63 H new ATOM 0 HA ASN B 65 -13.531 -4.095 -12.431 1.00 0.72 H new ATOM 0 HB2 ASN B 65 -14.562 -5.631 -10.979 1.00 0.79 H new ATOM 0 HB3 ASN B 65 -13.164 -5.071 -10.083 1.00 0.79 H new ATOM 0 HD21 ASN B 65 -15.034 -3.310 -7.598 1.00 1.16 H new ATOM 0 HD22 ASN B 65 -13.472 -3.420 -8.416 1.00 1.16 H new ATOM 2679 N ARG B 66 -15.345 -1.716 -11.294 1.00 0.60 N ATOM 2680 CA ARG B 66 -16.458 -0.801 -11.516 1.00 0.60 C ATOM 2681 C ARG B 66 -17.816 -1.446 -11.313 1.00 0.60 C ATOM 2682 O ARG B 66 -18.746 -1.227 -12.089 1.00 0.69 O ATOM 2683 CB ARG B 66 -16.365 -0.160 -12.886 1.00 0.67 C ATOM 2684 CG ARG B 66 -15.195 0.801 -13.019 1.00 0.70 C ATOM 2685 CD ARG B 66 -15.350 2.026 -12.119 1.00 0.70 C ATOM 2686 NE ARG B 66 -14.426 3.087 -12.513 1.00 0.78 N ATOM 2687 CZ ARG B 66 -14.785 4.199 -13.151 1.00 1.20 C ATOM 2688 NH1 ARG B 66 -16.061 4.424 -13.451 1.00 2.23 N ATOM 2689 NH2 ARG B 66 -13.863 5.090 -13.489 1.00 1.15 N ATOM 0 H ARG B 66 -14.633 -1.330 -10.674 1.00 0.60 H new ATOM 0 HA ARG B 66 -16.371 -0.025 -10.755 1.00 0.60 H new ATOM 0 HB2 ARG B 66 -16.272 -0.942 -13.640 1.00 0.67 H new ATOM 0 HB3 ARG B 66 -17.292 0.375 -13.093 1.00 0.67 H new ATOM 0 HG2 ARG B 66 -14.270 0.282 -12.767 1.00 0.70 H new ATOM 0 HG3 ARG B 66 -15.108 1.123 -14.057 1.00 0.70 H new ATOM 0 HD2 ARG B 66 -16.375 2.393 -12.172 1.00 0.70 H new ATOM 0 HD3 ARG B 66 -15.166 1.745 -11.082 1.00 0.70 H new ATOM 0 HE ARG B 66 -13.439 2.968 -12.284 1.00 0.78 H new ATOM 0 HH11 ARG B 66 -16.774 3.742 -13.192 1.00 2.23 H new ATOM 0 HH12 ARG B 66 -16.327 5.279 -13.940 1.00 2.23 H new ATOM 0 HH21 ARG B 66 -12.883 4.922 -13.260 1.00 1.15 H new ATOM 0 HH22 ARG B 66 -14.133 5.943 -13.978 1.00 1.15 H new ATOM 2703 N ASP B 67 -17.928 -2.213 -10.248 1.00 0.58 N ATOM 2704 CA ASP B 67 -19.213 -2.764 -9.839 1.00 0.61 C ATOM 2705 C ASP B 67 -19.708 -1.958 -8.654 1.00 0.56 C ATOM 2706 O ASP B 67 -20.760 -2.231 -8.081 1.00 0.57 O ATOM 2707 CB ASP B 67 -19.091 -4.243 -9.470 1.00 0.69 C ATOM 2708 CG ASP B 67 -20.429 -4.953 -9.429 1.00 1.07 C ATOM 2709 OD1 ASP B 67 -20.992 -5.224 -10.510 1.00 1.72 O ATOM 2710 OD2 ASP B 67 -20.906 -5.281 -8.325 1.00 1.63 O ATOM 0 H ASP B 67 -17.146 -2.472 -9.646 1.00 0.58 H new ATOM 0 HA ASP B 67 -19.921 -2.700 -10.666 1.00 0.61 H new ATOM 0 HB2 ASP B 67 -18.444 -4.740 -10.192 1.00 0.69 H new ATOM 0 HB3 ASP B 67 -18.609 -4.331 -8.496 1.00 0.69 H new ATOM 2715 N ASN B 68 -18.902 -0.954 -8.310 1.00 0.53 N ATOM 2716 CA ASN B 68 -19.202 0.004 -7.254 1.00 0.51 C ATOM 2717 C ASN B 68 -18.997 -0.613 -5.888 1.00 0.46 C ATOM 2718 O ASN B 68 -19.639 -0.236 -4.906 1.00 0.47 O ATOM 2719 CB ASN B 68 -20.604 0.596 -7.415 1.00 0.58 C ATOM 2720 CG ASN B 68 -20.747 1.330 -8.736 1.00 0.73 C ATOM 2721 OD1 ASN B 68 -21.849 1.486 -9.260 1.00 1.08 O ATOM 2722 ND2 ASN B 68 -19.620 1.750 -9.304 1.00 0.66 N ATOM 0 H ASN B 68 -18.007 -0.783 -8.768 1.00 0.53 H new ATOM 0 HA ASN B 68 -18.500 0.833 -7.343 1.00 0.51 H new ATOM 0 HB2 ASN B 68 -21.346 -0.201 -7.358 1.00 0.58 H new ATOM 0 HB3 ASN B 68 -20.808 1.281 -6.592 1.00 0.58 H new ATOM 0 HD21 ASN B 68 -19.649 2.221 -10.208 1.00 0.66 H new ATOM 0 HD22 ASN B 68 -18.726 1.601 -8.836 1.00 0.66 H new ATOM 2729 N GLU B 69 -18.081 -1.565 -5.845 1.00 0.46 N ATOM 2730 CA GLU B 69 -17.610 -2.134 -4.600 1.00 0.42 C ATOM 2731 C GLU B 69 -16.103 -2.315 -4.696 1.00 0.40 C ATOM 2732 O GLU B 69 -15.614 -3.062 -5.541 1.00 0.44 O ATOM 2733 CB GLU B 69 -18.270 -3.479 -4.291 1.00 0.46 C ATOM 2734 CG GLU B 69 -19.789 -3.469 -4.322 1.00 0.50 C ATOM 2735 CD GLU B 69 -20.394 -4.763 -3.810 1.00 0.64 C ATOM 2736 OE1 GLU B 69 -20.510 -5.721 -4.603 1.00 1.29 O ATOM 2737 OE2 GLU B 69 -20.772 -4.821 -2.619 1.00 1.31 O ATOM 0 H GLU B 69 -17.644 -1.964 -6.676 1.00 0.46 H new ATOM 0 HA GLU B 69 -17.873 -1.454 -3.790 1.00 0.42 H new ATOM 0 HB2 GLU B 69 -17.911 -4.217 -5.009 1.00 0.46 H new ATOM 0 HB3 GLU B 69 -17.944 -3.809 -3.305 1.00 0.46 H new ATOM 0 HG2 GLU B 69 -20.155 -2.638 -3.719 1.00 0.50 H new ATOM 0 HG3 GLU B 69 -20.126 -3.294 -5.344 1.00 0.50 H new ATOM 2744 N VAL B 70 -15.383 -1.622 -3.836 1.00 0.37 N ATOM 2745 CA VAL B 70 -13.919 -1.648 -3.855 1.00 0.36 C ATOM 2746 C VAL B 70 -13.386 -2.893 -3.172 1.00 0.35 C ATOM 2747 O VAL B 70 -13.640 -3.107 -2.000 1.00 0.36 O ATOM 2748 CB VAL B 70 -13.327 -0.412 -3.153 1.00 0.33 C ATOM 2749 CG1 VAL B 70 -11.828 -0.571 -2.946 1.00 0.33 C ATOM 2750 CG2 VAL B 70 -13.618 0.839 -3.954 1.00 0.36 C ATOM 0 H VAL B 70 -15.783 -1.029 -3.109 1.00 0.37 H new ATOM 0 HA VAL B 70 -13.618 -1.648 -4.903 1.00 0.36 H new ATOM 0 HB VAL B 70 -13.798 -0.319 -2.174 1.00 0.33 H new ATOM 0 HG11 VAL B 70 -11.433 0.315 -2.448 1.00 0.33 H new ATOM 0 HG12 VAL B 70 -11.637 -1.449 -2.329 1.00 0.33 H new ATOM 0 HG13 VAL B 70 -11.338 -0.693 -3.912 1.00 0.33 H new ATOM 0 HG21 VAL B 70 -13.193 1.704 -3.445 1.00 0.36 H new ATOM 0 HG22 VAL B 70 -13.175 0.748 -4.945 1.00 0.36 H new ATOM 0 HG23 VAL B 70 -14.696 0.967 -4.049 1.00 0.36 H new ATOM 2760 N ASP B 71 -12.633 -3.698 -3.900 1.00 0.37 N ATOM 2761 CA ASP B 71 -12.110 -4.950 -3.356 1.00 0.39 C ATOM 2762 C ASP B 71 -10.831 -4.700 -2.550 1.00 0.37 C ATOM 2763 O ASP B 71 -10.275 -3.605 -2.614 1.00 0.35 O ATOM 2764 CB ASP B 71 -11.833 -5.927 -4.494 1.00 0.45 C ATOM 2765 CG ASP B 71 -11.912 -7.377 -4.056 1.00 0.77 C ATOM 2766 OD1 ASP B 71 -11.287 -7.736 -3.041 1.00 1.35 O ATOM 2767 OD2 ASP B 71 -12.604 -8.172 -4.724 1.00 1.42 O ATOM 0 H ASP B 71 -12.367 -3.513 -4.867 1.00 0.37 H new ATOM 0 HA ASP B 71 -12.855 -5.379 -2.686 1.00 0.39 H new ATOM 0 HB2 ASP B 71 -12.550 -5.755 -5.297 1.00 0.45 H new ATOM 0 HB3 ASP B 71 -10.842 -5.729 -4.903 1.00 0.45 H new ATOM 2772 N PHE B 72 -10.373 -5.708 -1.796 1.00 0.41 N ATOM 2773 CA PHE B 72 -9.173 -5.578 -0.955 1.00 0.44 C ATOM 2774 C PHE B 72 -8.031 -4.988 -1.759 1.00 0.40 C ATOM 2775 O PHE B 72 -7.397 -4.022 -1.351 1.00 0.42 O ATOM 2776 CB PHE B 72 -8.675 -6.928 -0.437 1.00 0.54 C ATOM 2777 CG PHE B 72 -9.595 -7.719 0.442 1.00 0.94 C ATOM 2778 CD1 PHE B 72 -10.660 -8.418 -0.094 1.00 1.70 C ATOM 2779 CD2 PHE B 72 -9.357 -7.806 1.803 1.00 1.69 C ATOM 2780 CE1 PHE B 72 -11.478 -9.180 0.711 1.00 2.17 C ATOM 2781 CE2 PHE B 72 -10.168 -8.573 2.613 1.00 2.18 C ATOM 2782 CZ PHE B 72 -11.233 -9.261 2.066 1.00 2.15 C ATOM 0 H PHE B 72 -10.816 -6.626 -1.750 1.00 0.41 H new ATOM 0 HA PHE B 72 -9.461 -4.941 -0.119 1.00 0.44 H new ATOM 0 HB2 PHE B 72 -8.422 -7.545 -1.299 1.00 0.54 H new ATOM 0 HB3 PHE B 72 -7.751 -6.755 0.114 1.00 0.54 H new ATOM 0 HD1 PHE B 72 -10.853 -8.366 -1.155 1.00 1.70 H new ATOM 0 HD2 PHE B 72 -8.527 -7.267 2.235 1.00 1.69 H new ATOM 0 HE1 PHE B 72 -12.312 -9.715 0.281 1.00 2.17 H new ATOM 0 HE2 PHE B 72 -9.971 -8.635 3.673 1.00 2.18 H new ATOM 0 HZ PHE B 72 -11.872 -9.861 2.697 1.00 2.15 H new ATOM 2792 N GLN B 73 -7.773 -5.607 -2.901 1.00 0.38 N ATOM 2793 CA GLN B 73 -6.688 -5.196 -3.782 1.00 0.37 C ATOM 2794 C GLN B 73 -6.859 -3.751 -4.214 1.00 0.36 C ATOM 2795 O GLN B 73 -5.913 -2.965 -4.183 1.00 0.36 O ATOM 2796 CB GLN B 73 -6.630 -6.118 -5.005 1.00 0.41 C ATOM 2797 CG GLN B 73 -5.613 -5.697 -6.056 1.00 0.50 C ATOM 2798 CD GLN B 73 -6.248 -4.988 -7.240 1.00 0.42 C ATOM 2799 OE1 GLN B 73 -6.622 -5.622 -8.223 1.00 0.62 O ATOM 2800 NE2 GLN B 73 -6.369 -3.671 -7.160 1.00 0.41 N ATOM 0 H GLN B 73 -8.307 -6.406 -3.243 1.00 0.38 H new ATOM 0 HA GLN B 73 -5.749 -5.274 -3.234 1.00 0.37 H new ATOM 0 HB2 GLN B 73 -6.395 -7.129 -4.673 1.00 0.41 H new ATOM 0 HB3 GLN B 73 -7.617 -6.155 -5.465 1.00 0.41 H new ATOM 0 HG2 GLN B 73 -4.875 -5.039 -5.598 1.00 0.50 H new ATOM 0 HG3 GLN B 73 -5.078 -6.578 -6.410 1.00 0.50 H new ATOM 0 HE21 GLN B 73 -6.047 -3.179 -6.327 1.00 0.41 H new ATOM 0 HE22 GLN B 73 -6.785 -3.149 -7.932 1.00 0.41 H new ATOM 2809 N GLU B 74 -8.071 -3.403 -4.611 1.00 0.37 N ATOM 2810 CA GLU B 74 -8.369 -2.060 -5.077 1.00 0.39 C ATOM 2811 C GLU B 74 -8.234 -1.070 -3.926 1.00 0.38 C ATOM 2812 O GLU B 74 -7.878 0.091 -4.116 1.00 0.41 O ATOM 2813 CB GLU B 74 -9.776 -2.027 -5.666 1.00 0.44 C ATOM 2814 CG GLU B 74 -9.983 -3.052 -6.773 1.00 0.59 C ATOM 2815 CD GLU B 74 -11.399 -3.051 -7.306 1.00 1.40 C ATOM 2816 OE1 GLU B 74 -12.335 -3.029 -6.492 1.00 2.18 O ATOM 2817 OE2 GLU B 74 -11.576 -3.064 -8.545 1.00 2.04 O ATOM 0 H GLU B 74 -8.870 -4.037 -4.620 1.00 0.37 H new ATOM 0 HA GLU B 74 -7.661 -1.774 -5.855 1.00 0.39 H new ATOM 0 HB2 GLU B 74 -10.500 -2.207 -4.872 1.00 0.44 H new ATOM 0 HB3 GLU B 74 -9.976 -1.030 -6.060 1.00 0.44 H new ATOM 0 HG2 GLU B 74 -9.291 -2.845 -7.589 1.00 0.59 H new ATOM 0 HG3 GLU B 74 -9.742 -4.045 -6.394 1.00 0.59 H new ATOM 2824 N TYR B 75 -8.487 -1.566 -2.726 1.00 0.34 N ATOM 2825 CA TYR B 75 -8.372 -0.781 -1.513 1.00 0.36 C ATOM 2826 C TYR B 75 -6.897 -0.606 -1.132 1.00 0.34 C ATOM 2827 O TYR B 75 -6.486 0.437 -0.626 1.00 0.34 O ATOM 2828 CB TYR B 75 -9.146 -1.478 -0.390 1.00 0.43 C ATOM 2829 CG TYR B 75 -8.957 -0.853 0.972 1.00 0.86 C ATOM 2830 CD1 TYR B 75 -9.314 0.468 1.206 1.00 1.50 C ATOM 2831 CD2 TYR B 75 -8.418 -1.584 2.024 1.00 1.72 C ATOM 2832 CE1 TYR B 75 -9.141 1.042 2.448 1.00 1.86 C ATOM 2833 CE2 TYR B 75 -8.243 -1.016 3.269 1.00 2.09 C ATOM 2834 CZ TYR B 75 -8.606 0.296 3.476 1.00 1.84 C ATOM 2835 OH TYR B 75 -8.432 0.867 4.717 1.00 2.33 O ATOM 0 H TYR B 75 -8.779 -2.530 -2.568 1.00 0.34 H new ATOM 0 HA TYR B 75 -8.796 0.210 -1.676 1.00 0.36 H new ATOM 0 HB2 TYR B 75 -10.208 -1.471 -0.637 1.00 0.43 H new ATOM 0 HB3 TYR B 75 -8.837 -2.522 -0.344 1.00 0.43 H new ATOM 0 HD1 TYR B 75 -9.734 1.055 0.403 1.00 1.50 H new ATOM 0 HD2 TYR B 75 -8.132 -2.613 1.864 1.00 1.72 H new ATOM 0 HE1 TYR B 75 -9.423 2.071 2.614 1.00 1.86 H new ATOM 0 HE2 TYR B 75 -7.824 -1.597 4.077 1.00 2.09 H new ATOM 0 HH TYR B 75 -8.045 0.207 5.329 1.00 2.33 H new ATOM 2845 N SER B 76 -6.102 -1.638 -1.389 1.00 0.35 N ATOM 2846 CA SER B 76 -4.674 -1.602 -1.114 1.00 0.36 C ATOM 2847 C SER B 76 -3.969 -0.675 -2.100 1.00 0.36 C ATOM 2848 O SER B 76 -3.024 0.033 -1.741 1.00 0.41 O ATOM 2849 CB SER B 76 -4.085 -3.013 -1.193 1.00 0.41 C ATOM 2850 OG SER B 76 -2.701 -3.013 -0.887 1.00 1.21 O ATOM 0 H SER B 76 -6.428 -2.517 -1.791 1.00 0.35 H new ATOM 0 HA SER B 76 -4.521 -1.217 -0.106 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.612 -3.669 -0.500 1.00 0.41 H new ATOM 0 HB3 SER B 76 -4.238 -3.417 -2.194 1.00 0.41 H new ATOM 0 HG SER B 76 -2.186 -3.203 -1.699 1.00 1.21 H new ATOM 2856 N VAL B 77 -4.451 -0.669 -3.340 1.00 0.35 N ATOM 2857 CA VAL B 77 -3.935 0.237 -4.358 1.00 0.36 C ATOM 2858 C VAL B 77 -4.240 1.662 -3.939 1.00 0.33 C ATOM 2859 O VAL B 77 -3.459 2.586 -4.154 1.00 0.32 O ATOM 2860 CB VAL B 77 -4.559 -0.034 -5.746 1.00 0.40 C ATOM 2861 CG1 VAL B 77 -4.165 1.046 -6.743 1.00 0.43 C ATOM 2862 CG2 VAL B 77 -4.140 -1.398 -6.261 1.00 0.43 C ATOM 0 H VAL B 77 -5.199 -1.283 -3.663 1.00 0.35 H new ATOM 0 HA VAL B 77 -2.860 0.077 -4.444 1.00 0.36 H new ATOM 0 HB VAL B 77 -5.643 -0.018 -5.634 1.00 0.40 H new ATOM 0 HG11 VAL B 77 -4.618 0.830 -7.711 1.00 0.43 H new ATOM 0 HG12 VAL B 77 -4.514 2.015 -6.387 1.00 0.43 H new ATOM 0 HG13 VAL B 77 -3.080 1.067 -6.847 1.00 0.43 H new ATOM 0 HG21 VAL B 77 -4.589 -1.571 -7.239 1.00 0.43 H new ATOM 0 HG22 VAL B 77 -3.054 -1.436 -6.348 1.00 0.43 H new ATOM 0 HG23 VAL B 77 -4.476 -2.168 -5.566 1.00 0.43 H new ATOM 2872 N PHE B 78 -5.391 1.806 -3.314 1.00 0.32 N ATOM 2873 CA PHE B 78 -5.828 3.067 -2.762 1.00 0.29 C ATOM 2874 C PHE B 78 -4.872 3.553 -1.679 1.00 0.27 C ATOM 2875 O PHE B 78 -4.368 4.672 -1.735 1.00 0.28 O ATOM 2876 CB PHE B 78 -7.225 2.887 -2.182 1.00 0.27 C ATOM 2877 CG PHE B 78 -7.723 4.070 -1.416 1.00 0.28 C ATOM 2878 CD1 PHE B 78 -7.525 5.357 -1.886 1.00 1.18 C ATOM 2879 CD2 PHE B 78 -8.380 3.890 -0.217 1.00 1.23 C ATOM 2880 CE1 PHE B 78 -7.976 6.440 -1.171 1.00 1.19 C ATOM 2881 CE2 PHE B 78 -8.833 4.969 0.502 1.00 1.24 C ATOM 2882 CZ PHE B 78 -8.632 6.246 0.027 1.00 0.37 C ATOM 0 H PHE B 78 -6.053 1.043 -3.175 1.00 0.32 H new ATOM 0 HA PHE B 78 -5.842 3.817 -3.553 1.00 0.29 H new ATOM 0 HB2 PHE B 78 -7.920 2.675 -2.995 1.00 0.27 H new ATOM 0 HB3 PHE B 78 -7.225 2.016 -1.526 1.00 0.27 H new ATOM 0 HD1 PHE B 78 -7.011 5.511 -2.823 1.00 1.18 H new ATOM 0 HD2 PHE B 78 -8.540 2.891 0.160 1.00 1.23 H new ATOM 0 HE1 PHE B 78 -7.817 7.440 -1.546 1.00 1.19 H new ATOM 0 HE2 PHE B 78 -9.347 4.816 1.440 1.00 1.24 H new ATOM 0 HZ PHE B 78 -8.988 7.095 0.592 1.00 0.37 H new ATOM 2892 N LEU B 79 -4.626 2.705 -0.695 1.00 0.27 N ATOM 2893 CA LEU B 79 -3.798 3.076 0.441 1.00 0.27 C ATOM 2894 C LEU B 79 -2.359 3.339 0.021 1.00 0.31 C ATOM 2895 O LEU B 79 -1.694 4.216 0.572 1.00 0.33 O ATOM 2896 CB LEU B 79 -3.849 1.995 1.511 1.00 0.29 C ATOM 2897 CG LEU B 79 -5.253 1.643 1.995 1.00 0.29 C ATOM 2898 CD1 LEU B 79 -5.174 0.827 3.256 1.00 0.40 C ATOM 2899 CD2 LEU B 79 -6.086 2.891 2.225 1.00 0.30 C ATOM 0 H LEU B 79 -4.989 1.752 -0.659 1.00 0.27 H new ATOM 0 HA LEU B 79 -4.198 4.002 0.855 1.00 0.27 H new ATOM 0 HB2 LEU B 79 -3.377 1.093 1.120 1.00 0.29 H new ATOM 0 HB3 LEU B 79 -3.256 2.320 2.366 1.00 0.29 H new ATOM 0 HG LEU B 79 -5.742 1.054 1.219 1.00 0.29 H new ATOM 0 HD11 LEU B 79 -6.181 0.581 3.594 1.00 0.40 H new ATOM 0 HD12 LEU B 79 -4.622 -0.092 3.061 1.00 0.40 H new ATOM 0 HD13 LEU B 79 -4.662 1.400 4.029 1.00 0.40 H new ATOM 0 HD21 LEU B 79 -7.080 2.606 2.569 1.00 0.30 H new ATOM 0 HD22 LEU B 79 -5.606 3.515 2.979 1.00 0.30 H new ATOM 0 HD23 LEU B 79 -6.171 3.449 1.292 1.00 0.30 H new ATOM 2911 N SER B 80 -1.876 2.586 -0.954 1.00 0.36 N ATOM 2912 CA SER B 80 -0.562 2.858 -1.506 1.00 0.47 C ATOM 2913 C SER B 80 -0.589 4.164 -2.271 1.00 0.37 C ATOM 2914 O SER B 80 0.332 4.956 -2.163 1.00 0.38 O ATOM 2915 CB SER B 80 -0.084 1.722 -2.400 1.00 0.66 C ATOM 2916 OG SER B 80 -1.126 1.239 -3.228 1.00 0.84 O ATOM 0 H SER B 80 -2.365 1.795 -1.373 1.00 0.36 H new ATOM 0 HA SER B 80 0.145 2.940 -0.680 1.00 0.47 H new ATOM 0 HB2 SER B 80 0.743 2.069 -3.019 1.00 0.66 H new ATOM 0 HB3 SER B 80 0.299 0.909 -1.783 1.00 0.66 H new ATOM 0 HG SER B 80 -1.649 0.570 -2.739 1.00 0.84 H new ATOM 2922 N SER B 81 -1.663 4.395 -3.023 1.00 0.33 N ATOM 2923 CA SER B 81 -1.862 5.669 -3.700 1.00 0.30 C ATOM 2924 C SER B 81 -1.741 6.807 -2.693 1.00 0.24 C ATOM 2925 O SER B 81 -1.177 7.848 -2.996 1.00 0.26 O ATOM 2926 CB SER B 81 -3.232 5.701 -4.390 1.00 0.37 C ATOM 2927 OG SER B 81 -3.436 6.914 -5.098 1.00 1.22 O ATOM 0 H SER B 81 -2.407 3.715 -3.177 1.00 0.33 H new ATOM 0 HA SER B 81 -1.095 5.791 -4.465 1.00 0.30 H new ATOM 0 HB2 SER B 81 -3.312 4.860 -5.079 1.00 0.37 H new ATOM 0 HB3 SER B 81 -4.018 5.578 -3.644 1.00 0.37 H new ATOM 0 HG SER B 81 -4.318 6.899 -5.526 1.00 1.22 H new ATOM 2933 N ILE B 82 -2.249 6.579 -1.484 1.00 0.23 N ATOM 2934 CA ILE B 82 -2.128 7.542 -0.395 1.00 0.23 C ATOM 2935 C ILE B 82 -0.672 7.760 -0.008 1.00 0.27 C ATOM 2936 O ILE B 82 -0.175 8.884 -0.016 1.00 0.30 O ATOM 2937 CB ILE B 82 -2.883 7.072 0.859 1.00 0.24 C ATOM 2938 CG1 ILE B 82 -4.372 6.897 0.555 1.00 0.21 C ATOM 2939 CG2 ILE B 82 -2.655 8.049 2.007 1.00 0.28 C ATOM 2940 CD1 ILE B 82 -5.179 6.429 1.742 1.00 0.23 C ATOM 0 H ILE B 82 -2.752 5.728 -1.234 1.00 0.23 H new ATOM 0 HA ILE B 82 -2.561 8.473 -0.761 1.00 0.23 H new ATOM 0 HB ILE B 82 -2.495 6.100 1.164 1.00 0.24 H new ATOM 0 HG12 ILE B 82 -4.776 7.846 0.202 1.00 0.21 H new ATOM 0 HG13 ILE B 82 -4.487 6.180 -0.258 1.00 0.21 H new ATOM 0 HG21 ILE B 82 -3.195 7.706 2.890 1.00 0.28 H new ATOM 0 HG22 ILE B 82 -1.590 8.104 2.232 1.00 0.28 H new ATOM 0 HG23 ILE B 82 -3.017 9.037 1.722 1.00 0.28 H new ATOM 0 HD11 ILE B 82 -6.225 6.327 1.453 1.00 0.23 H new ATOM 0 HD12 ILE B 82 -4.801 5.465 2.082 1.00 0.23 H new ATOM 0 HD13 ILE B 82 -5.095 7.157 2.549 1.00 0.23 H new ATOM 2952 N ALA B 83 0.003 6.681 0.343 1.00 0.30 N ATOM 2953 CA ALA B 83 1.384 6.762 0.786 1.00 0.36 C ATOM 2954 C ALA B 83 2.281 7.337 -0.314 1.00 0.37 C ATOM 2955 O ALA B 83 3.232 8.057 -0.028 1.00 0.42 O ATOM 2956 CB ALA B 83 1.868 5.394 1.248 1.00 0.40 C ATOM 0 H ALA B 83 -0.383 5.737 0.330 1.00 0.30 H new ATOM 0 HA ALA B 83 1.440 7.444 1.634 1.00 0.36 H new ATOM 0 HB1 ALA B 83 2.904 5.467 1.578 1.00 0.40 H new ATOM 0 HB2 ALA B 83 1.248 5.049 2.075 1.00 0.40 H new ATOM 0 HB3 ALA B 83 1.799 4.686 0.422 1.00 0.40 H new ATOM 2962 N MET B 84 1.949 7.048 -1.569 1.00 0.37 N ATOM 2963 CA MET B 84 2.708 7.560 -2.709 1.00 0.43 C ATOM 2964 C MET B 84 2.390 9.028 -2.958 1.00 0.34 C ATOM 2965 O MET B 84 3.286 9.827 -3.194 1.00 0.37 O ATOM 2966 CB MET B 84 2.410 6.764 -3.981 1.00 0.64 C ATOM 2967 CG MET B 84 2.678 5.280 -3.841 1.00 0.44 C ATOM 2968 SD MET B 84 2.569 4.393 -5.410 1.00 1.00 S ATOM 2969 CE MET B 84 0.843 4.622 -5.828 1.00 1.26 C ATOM 0 H MET B 84 1.156 6.459 -1.824 1.00 0.37 H new ATOM 0 HA MET B 84 3.764 7.453 -2.463 1.00 0.43 H new ATOM 0 HB2 MET B 84 1.366 6.912 -4.257 1.00 0.64 H new ATOM 0 HB3 MET B 84 3.015 7.159 -4.797 1.00 0.64 H new ATOM 0 HG2 MET B 84 3.671 5.134 -3.416 1.00 0.44 H new ATOM 0 HG3 MET B 84 1.964 4.852 -3.138 1.00 0.44 H new ATOM 0 HE1 MET B 84 0.625 4.112 -6.766 1.00 1.26 H new ATOM 0 HE2 MET B 84 0.219 4.208 -5.036 1.00 1.26 H new ATOM 0 HE3 MET B 84 0.633 5.686 -5.936 1.00 1.26 H new ATOM 2979 N MET B 85 1.110 9.380 -2.906 1.00 0.33 N ATOM 2980 CA MET B 85 0.690 10.758 -3.138 1.00 0.35 C ATOM 2981 C MET B 85 1.238 11.665 -2.039 1.00 0.35 C ATOM 2982 O MET B 85 1.674 12.789 -2.305 1.00 0.42 O ATOM 2983 CB MET B 85 -0.841 10.856 -3.227 1.00 0.39 C ATOM 2984 CG MET B 85 -1.540 10.612 -1.915 1.00 1.36 C ATOM 2985 SD MET B 85 -1.928 12.134 -1.026 1.00 2.66 S ATOM 2986 CE MET B 85 -2.606 11.479 0.496 1.00 3.35 C ATOM 0 H MET B 85 0.347 8.733 -2.706 1.00 0.33 H new ATOM 0 HA MET B 85 1.097 11.091 -4.093 1.00 0.35 H new ATOM 0 HB2 MET B 85 -1.112 11.846 -3.595 1.00 0.39 H new ATOM 0 HB3 MET B 85 -1.201 10.134 -3.960 1.00 0.39 H new ATOM 0 HG2 MET B 85 -2.462 10.060 -2.098 1.00 1.36 H new ATOM 0 HG3 MET B 85 -0.911 9.982 -1.287 1.00 1.36 H new ATOM 0 HE1 MET B 85 -3.022 12.293 1.089 1.00 3.35 H new ATOM 0 HE2 MET B 85 -3.392 10.760 0.264 1.00 3.35 H new ATOM 0 HE3 MET B 85 -1.817 10.984 1.062 1.00 3.35 H new ATOM 2996 N SER B 86 1.237 11.156 -0.809 1.00 0.33 N ATOM 2997 CA SER B 86 1.808 11.874 0.314 1.00 0.39 C ATOM 2998 C SER B 86 3.320 11.951 0.153 1.00 0.43 C ATOM 2999 O SER B 86 3.951 12.907 0.583 1.00 0.57 O ATOM 3000 CB SER B 86 1.441 11.176 1.629 1.00 0.43 C ATOM 3001 OG SER B 86 1.812 11.959 2.755 1.00 1.25 O ATOM 0 H SER B 86 0.844 10.245 -0.570 1.00 0.33 H new ATOM 0 HA SER B 86 1.403 12.886 0.339 1.00 0.39 H new ATOM 0 HB2 SER B 86 0.368 10.986 1.654 1.00 0.43 H new ATOM 0 HB3 SER B 86 1.938 10.207 1.679 1.00 0.43 H new ATOM 0 HG SER B 86 1.563 11.488 3.577 1.00 1.25 H new ATOM 3007 N ASN B 87 3.876 10.940 -0.498 1.00 0.40 N ATOM 3008 CA ASN B 87 5.314 10.828 -0.707 1.00 0.51 C ATOM 3009 C ASN B 87 5.823 11.800 -1.773 1.00 0.44 C ATOM 3010 O ASN B 87 6.698 12.621 -1.504 1.00 0.53 O ATOM 3011 CB ASN B 87 5.643 9.398 -1.122 1.00 0.69 C ATOM 3012 CG ASN B 87 7.040 9.239 -1.670 1.00 1.43 C ATOM 3013 OD1 ASN B 87 7.260 8.445 -2.578 1.00 2.36 O ATOM 3014 ND2 ASN B 87 7.997 9.972 -1.117 1.00 1.49 N ATOM 0 H ASN B 87 3.341 10.170 -0.899 1.00 0.40 H new ATOM 0 HA ASN B 87 5.811 11.084 0.229 1.00 0.51 H new ATOM 0 HB2 ASN B 87 5.522 8.741 -0.261 1.00 0.69 H new ATOM 0 HB3 ASN B 87 4.926 9.072 -1.875 1.00 0.69 H new ATOM 0 HD21 ASN B 87 8.959 9.887 -1.445 1.00 1.49 H new ATOM 0 HD22 ASN B 87 7.771 10.621 -0.363 1.00 1.49 H new ATOM 3021 N GLU B 88 5.291 11.686 -2.981 1.00 0.37 N ATOM 3022 CA GLU B 88 5.750 12.499 -4.098 1.00 0.42 C ATOM 3023 C GLU B 88 5.571 13.983 -3.786 1.00 0.51 C ATOM 3024 O GLU B 88 6.401 14.814 -4.152 1.00 0.66 O ATOM 3025 CB GLU B 88 4.994 12.121 -5.374 1.00 0.48 C ATOM 3026 CG GLU B 88 5.072 10.643 -5.719 1.00 0.51 C ATOM 3027 CD GLU B 88 4.322 10.319 -6.992 1.00 0.91 C ATOM 3028 OE1 GLU B 88 4.775 10.753 -8.071 1.00 1.74 O ATOM 3029 OE2 GLU B 88 3.278 9.638 -6.925 1.00 1.49 O ATOM 0 H GLU B 88 4.539 11.037 -3.213 1.00 0.37 H new ATOM 0 HA GLU B 88 6.811 12.308 -4.256 1.00 0.42 H new ATOM 0 HB2 GLU B 88 3.947 12.403 -5.262 1.00 0.48 H new ATOM 0 HB3 GLU B 88 5.393 12.700 -6.207 1.00 0.48 H new ATOM 0 HG2 GLU B 88 6.116 10.351 -5.829 1.00 0.51 H new ATOM 0 HG3 GLU B 88 4.662 10.056 -4.897 1.00 0.51 H new ATOM 3036 N PHE B 89 4.489 14.301 -3.092 1.00 0.50 N ATOM 3037 CA PHE B 89 4.234 15.669 -2.659 1.00 0.63 C ATOM 3038 C PHE B 89 5.022 16.011 -1.392 1.00 0.66 C ATOM 3039 O PHE B 89 5.237 17.183 -1.091 1.00 0.79 O ATOM 3040 CB PHE B 89 2.731 15.875 -2.438 1.00 0.73 C ATOM 3041 CG PHE B 89 2.346 17.280 -2.061 1.00 1.18 C ATOM 3042 CD1 PHE B 89 2.323 18.284 -3.015 1.00 1.70 C ATOM 3043 CD2 PHE B 89 2.005 17.594 -0.755 1.00 2.16 C ATOM 3044 CE1 PHE B 89 1.968 19.576 -2.673 1.00 2.37 C ATOM 3045 CE2 PHE B 89 1.649 18.883 -0.408 1.00 2.79 C ATOM 3046 CZ PHE B 89 1.630 19.876 -1.369 1.00 2.70 C ATOM 0 H PHE B 89 3.772 13.630 -2.816 1.00 0.50 H new ATOM 0 HA PHE B 89 4.572 16.345 -3.444 1.00 0.63 H new ATOM 0 HB2 PHE B 89 2.201 15.598 -3.349 1.00 0.73 H new ATOM 0 HB3 PHE B 89 2.395 15.196 -1.654 1.00 0.73 H new ATOM 0 HD1 PHE B 89 2.585 18.055 -4.037 1.00 1.70 H new ATOM 0 HD2 PHE B 89 2.018 16.822 0.000 1.00 2.16 H new ATOM 0 HE1 PHE B 89 1.955 20.350 -3.426 1.00 2.37 H new ATOM 0 HE2 PHE B 89 1.386 19.114 0.614 1.00 2.79 H new ATOM 0 HZ PHE B 89 1.351 20.884 -1.100 1.00 2.70 H new ATOM 3056 N PHE B 90 5.468 14.992 -0.661 1.00 0.60 N ATOM 3057 CA PHE B 90 6.298 15.207 0.524 1.00 0.68 C ATOM 3058 C PHE B 90 7.592 15.888 0.112 1.00 0.68 C ATOM 3059 O PHE B 90 8.106 16.763 0.810 1.00 0.79 O ATOM 3060 CB PHE B 90 6.604 13.873 1.218 1.00 0.70 C ATOM 3061 CG PHE B 90 7.396 13.995 2.490 1.00 0.85 C ATOM 3062 CD1 PHE B 90 6.825 14.544 3.626 1.00 1.46 C ATOM 3063 CD2 PHE B 90 8.707 13.551 2.551 1.00 1.53 C ATOM 3064 CE1 PHE B 90 7.548 14.651 4.797 1.00 1.59 C ATOM 3065 CE2 PHE B 90 9.434 13.655 3.720 1.00 1.64 C ATOM 3066 CZ PHE B 90 8.854 14.206 4.845 1.00 1.21 C ATOM 0 H PHE B 90 5.270 14.013 -0.866 1.00 0.60 H new ATOM 0 HA PHE B 90 5.758 15.841 1.227 1.00 0.68 H new ATOM 0 HB2 PHE B 90 5.663 13.369 1.439 1.00 0.70 H new ATOM 0 HB3 PHE B 90 7.152 13.235 0.524 1.00 0.70 H new ATOM 0 HD1 PHE B 90 5.803 14.892 3.595 1.00 1.46 H new ATOM 0 HD2 PHE B 90 9.165 13.119 1.674 1.00 1.53 H new ATOM 0 HE1 PHE B 90 7.092 15.083 5.676 1.00 1.59 H new ATOM 0 HE2 PHE B 90 10.455 13.306 3.754 1.00 1.64 H new ATOM 0 HZ PHE B 90 9.421 14.289 5.761 1.00 1.21 H new ATOM 3076 N GLU B 91 8.104 15.475 -1.038 1.00 0.61 N ATOM 3077 CA GLU B 91 9.281 16.092 -1.616 1.00 0.72 C ATOM 3078 C GLU B 91 8.964 17.506 -2.071 1.00 0.77 C ATOM 3079 O GLU B 91 9.688 18.458 -1.777 1.00 0.95 O ATOM 3080 CB GLU B 91 9.761 15.293 -2.818 1.00 0.82 C ATOM 3081 CG GLU B 91 9.832 13.800 -2.580 1.00 0.92 C ATOM 3082 CD GLU B 91 10.870 13.403 -1.554 1.00 1.57 C ATOM 3083 OE1 GLU B 91 11.710 14.253 -1.190 1.00 2.22 O ATOM 3084 OE2 GLU B 91 10.858 12.231 -1.125 1.00 2.25 O ATOM 0 H GLU B 91 7.717 14.709 -1.590 1.00 0.61 H new ATOM 0 HA GLU B 91 10.059 16.114 -0.853 1.00 0.72 H new ATOM 0 HB2 GLU B 91 9.093 15.485 -3.658 1.00 0.82 H new ATOM 0 HB3 GLU B 91 10.749 15.651 -3.108 1.00 0.82 H new ATOM 0 HG2 GLU B 91 8.855 13.445 -2.253 1.00 0.92 H new ATOM 0 HG3 GLU B 91 10.054 13.300 -3.523 1.00 0.92 H new ATOM 3091 N GLY B 92 7.855 17.621 -2.778 1.00 0.71 N ATOM 3092 CA GLY B 92 7.482 18.869 -3.409 1.00 0.82 C ATOM 3093 C GLY B 92 7.384 18.672 -4.898 1.00 0.81 C ATOM 3094 O GLY B 92 6.668 19.386 -5.598 1.00 0.91 O ATOM 0 H GLY B 92 7.194 16.859 -2.929 1.00 0.71 H new ATOM 0 HA2 GLY B 92 6.527 19.217 -3.014 1.00 0.82 H new ATOM 0 HA3 GLY B 92 8.220 19.638 -3.181 1.00 0.82 H new ATOM 3098 N PHE B 93 8.107 17.668 -5.361 1.00 0.76 N ATOM 3099 CA PHE B 93 8.086 17.242 -6.743 1.00 0.78 C ATOM 3100 C PHE B 93 8.285 15.732 -6.767 1.00 0.69 C ATOM 3101 O PHE B 93 8.912 15.183 -5.860 1.00 0.82 O ATOM 3102 CB PHE B 93 9.183 17.954 -7.550 1.00 1.00 C ATOM 3103 CG PHE B 93 10.589 17.640 -7.108 1.00 1.67 C ATOM 3104 CD1 PHE B 93 11.115 18.208 -5.958 1.00 2.58 C ATOM 3105 CD2 PHE B 93 11.385 16.784 -7.852 1.00 2.41 C ATOM 3106 CE1 PHE B 93 12.406 17.926 -5.558 1.00 3.59 C ATOM 3107 CE2 PHE B 93 12.677 16.499 -7.456 1.00 3.46 C ATOM 3108 CZ PHE B 93 13.188 17.070 -6.307 1.00 3.90 C ATOM 0 H PHE B 93 8.735 17.118 -4.775 1.00 0.76 H new ATOM 0 HA PHE B 93 7.133 17.501 -7.203 1.00 0.78 H new ATOM 0 HB2 PHE B 93 9.077 17.683 -8.600 1.00 1.00 H new ATOM 0 HB3 PHE B 93 9.026 19.030 -7.481 1.00 1.00 H new ATOM 0 HD1 PHE B 93 10.508 18.879 -5.368 1.00 2.58 H new ATOM 0 HD2 PHE B 93 10.991 16.335 -8.751 1.00 2.41 H new ATOM 0 HE1 PHE B 93 12.804 18.375 -4.660 1.00 3.59 H new ATOM 0 HE2 PHE B 93 13.287 15.830 -8.044 1.00 3.46 H new ATOM 0 HZ PHE B 93 14.198 16.847 -5.995 1.00 3.90 H new ATOM 3118 N PRO B 94 7.717 15.033 -7.760 1.00 0.64 N ATOM 3119 CA PRO B 94 7.820 13.572 -7.856 1.00 0.61 C ATOM 3120 C PRO B 94 9.246 13.079 -8.129 1.00 0.71 C ATOM 3121 O PRO B 94 9.552 12.568 -9.204 1.00 0.90 O ATOM 3122 CB PRO B 94 6.886 13.220 -9.014 1.00 0.65 C ATOM 3123 CG PRO B 94 6.754 14.468 -9.814 1.00 0.84 C ATOM 3124 CD PRO B 94 6.905 15.608 -8.847 1.00 0.83 C ATOM 0 HA PRO B 94 7.551 13.092 -6.915 1.00 0.61 H new ATOM 0 HB2 PRO B 94 7.296 12.410 -9.616 1.00 0.65 H new ATOM 0 HB3 PRO B 94 5.916 12.885 -8.647 1.00 0.65 H new ATOM 0 HG2 PRO B 94 7.517 14.514 -10.591 1.00 0.84 H new ATOM 0 HG3 PRO B 94 5.786 14.508 -10.314 1.00 0.84 H new ATOM 0 HD2 PRO B 94 7.400 16.463 -9.308 1.00 0.83 H new ATOM 0 HD3 PRO B 94 5.938 15.957 -8.484 1.00 0.83 H new ATOM 3132 N ASP B 95 10.094 13.211 -7.115 1.00 0.71 N ATOM 3133 CA ASP B 95 11.498 12.796 -7.168 1.00 0.87 C ATOM 3134 C ASP B 95 11.628 11.275 -7.240 1.00 0.84 C ATOM 3135 O ASP B 95 12.696 10.728 -7.514 1.00 0.96 O ATOM 3136 CB ASP B 95 12.217 13.352 -5.929 1.00 1.12 C ATOM 3137 CG ASP B 95 13.576 12.732 -5.671 1.00 1.70 C ATOM 3138 OD1 ASP B 95 14.500 12.951 -6.479 1.00 2.16 O ATOM 3139 OD2 ASP B 95 13.729 12.044 -4.632 1.00 2.40 O ATOM 0 H ASP B 95 9.825 13.615 -6.218 1.00 0.71 H new ATOM 0 HA ASP B 95 11.959 13.194 -8.072 1.00 0.87 H new ATOM 0 HB2 ASP B 95 12.337 14.429 -6.045 1.00 1.12 H new ATOM 0 HB3 ASP B 95 11.586 13.194 -5.055 1.00 1.12 H new ATOM 3144 N LYS B 96 10.513 10.603 -7.029 1.00 0.81 N ATOM 3145 CA LYS B 96 10.487 9.149 -6.978 1.00 0.86 C ATOM 3146 C LYS B 96 10.395 8.605 -8.389 1.00 0.83 C ATOM 3147 O LYS B 96 10.662 7.433 -8.651 1.00 0.94 O ATOM 3148 CB LYS B 96 9.286 8.654 -6.163 1.00 0.97 C ATOM 3149 CG LYS B 96 8.705 9.670 -5.173 1.00 0.93 C ATOM 3150 CD LYS B 96 9.531 9.794 -3.899 1.00 0.65 C ATOM 3151 CE LYS B 96 10.789 10.611 -4.112 1.00 0.84 C ATOM 3152 NZ LYS B 96 11.721 10.534 -2.962 1.00 1.85 N ATOM 0 H LYS B 96 9.604 11.043 -6.889 1.00 0.81 H new ATOM 0 HA LYS B 96 11.400 8.798 -6.497 1.00 0.86 H new ATOM 0 HB2 LYS B 96 8.498 8.352 -6.853 1.00 0.97 H new ATOM 0 HB3 LYS B 96 9.584 7.763 -5.611 1.00 0.97 H new ATOM 0 HG2 LYS B 96 8.642 10.645 -5.656 1.00 0.93 H new ATOM 0 HG3 LYS B 96 7.688 9.376 -4.914 1.00 0.93 H new ATOM 0 HD2 LYS B 96 8.926 10.257 -3.119 1.00 0.65 H new ATOM 0 HD3 LYS B 96 9.801 8.799 -3.544 1.00 0.65 H new ATOM 0 HE2 LYS B 96 11.297 10.261 -5.011 1.00 0.84 H new ATOM 0 HE3 LYS B 96 10.517 11.652 -4.285 1.00 0.84 H new ATOM 0 HZ1 LYS B 96 12.636 10.951 -3.228 1.00 1.85 H new ATOM 0 HZ2 LYS B 96 11.323 11.058 -2.157 1.00 1.85 H new ATOM 0 HZ3 LYS B 96 11.859 9.539 -2.693 1.00 1.85 H new ATOM 3166 N GLN B 97 10.001 9.486 -9.291 1.00 0.85 N ATOM 3167 CA GLN B 97 9.865 9.152 -10.693 1.00 1.00 C ATOM 3168 C GLN B 97 11.148 9.523 -11.413 1.00 1.03 C ATOM 3169 O GLN B 97 11.954 10.290 -10.892 1.00 1.07 O ATOM 3170 CB GLN B 97 8.694 9.926 -11.310 1.00 1.19 C ATOM 3171 CG GLN B 97 7.464 10.007 -10.420 1.00 1.20 C ATOM 3172 CD GLN B 97 6.980 8.657 -9.940 1.00 1.05 C ATOM 3173 OE1 GLN B 97 7.142 7.641 -10.616 1.00 1.71 O ATOM 3174 NE2 GLN B 97 6.362 8.652 -8.774 1.00 0.97 N ATOM 0 H GLN B 97 9.767 10.454 -9.069 1.00 0.85 H new ATOM 0 HA GLN B 97 9.673 8.084 -10.793 1.00 1.00 H new ATOM 0 HB2 GLN B 97 9.025 10.937 -11.546 1.00 1.19 H new ATOM 0 HB3 GLN B 97 8.417 9.453 -12.252 1.00 1.19 H new ATOM 0 HG2 GLN B 97 7.690 10.632 -9.556 1.00 1.20 H new ATOM 0 HG3 GLN B 97 6.660 10.499 -10.968 1.00 1.20 H new ATOM 0 HE21 GLN B 97 6.253 9.521 -8.251 1.00 0.97 H new ATOM 0 HE22 GLN B 97 5.994 7.779 -8.396 1.00 0.97 H new ATOM 3183 N PRO B 98 11.358 8.979 -12.614 1.00 1.26 N ATOM 3184 CA PRO B 98 12.463 9.387 -13.480 1.00 1.46 C ATOM 3185 C PRO B 98 12.236 10.784 -14.054 1.00 1.51 C ATOM 3186 O PRO B 98 13.070 11.319 -14.783 1.00 1.97 O ATOM 3187 CB PRO B 98 12.463 8.348 -14.612 1.00 1.83 C ATOM 3188 CG PRO B 98 11.494 7.285 -14.203 1.00 1.83 C ATOM 3189 CD PRO B 98 10.556 7.909 -13.209 1.00 1.53 C ATOM 0 HA PRO B 98 13.407 9.429 -12.937 1.00 1.46 H new ATOM 0 HB2 PRO B 98 12.166 8.802 -15.557 1.00 1.83 H new ATOM 0 HB3 PRO B 98 13.460 7.931 -14.758 1.00 1.83 H new ATOM 0 HG2 PRO B 98 10.946 6.908 -15.067 1.00 1.83 H new ATOM 0 HG3 PRO B 98 12.016 6.436 -13.761 1.00 1.83 H new ATOM 0 HD2 PRO B 98 9.660 8.299 -13.692 1.00 1.53 H new ATOM 0 HD3 PRO B 98 10.227 7.189 -12.460 1.00 1.53 H new ATOM 3197 N ARG B 99 11.082 11.355 -13.691 1.00 1.37 N ATOM 3198 CA ARG B 99 10.625 12.646 -14.183 1.00 1.57 C ATOM 3199 C ARG B 99 10.665 12.704 -15.704 1.00 1.88 C ATOM 3200 O ARG B 99 11.064 13.706 -16.298 1.00 2.42 O ATOM 3201 CB ARG B 99 11.430 13.783 -13.561 1.00 2.01 C ATOM 3202 CG ARG B 99 11.050 14.091 -12.118 1.00 1.98 C ATOM 3203 CD ARG B 99 11.873 13.283 -11.131 1.00 2.58 C ATOM 3204 NE ARG B 99 13.261 13.742 -11.066 1.00 3.49 N ATOM 3205 CZ ARG B 99 14.250 13.057 -10.487 1.00 4.43 C ATOM 3206 NH1 ARG B 99 14.033 11.844 -9.998 1.00 4.69 N ATOM 3207 NH2 ARG B 99 15.467 13.579 -10.422 1.00 5.41 N ATOM 0 H ARG B 99 10.433 10.920 -13.035 1.00 1.37 H new ATOM 0 HA ARG B 99 9.585 12.770 -13.880 1.00 1.57 H new ATOM 0 HB2 ARG B 99 12.489 13.529 -13.601 1.00 2.01 H new ATOM 0 HB3 ARG B 99 11.294 14.682 -14.162 1.00 2.01 H new ATOM 0 HG2 ARG B 99 11.192 15.154 -11.924 1.00 1.98 H new ATOM 0 HG3 ARG B 99 9.992 13.878 -11.968 1.00 1.98 H new ATOM 0 HD2 ARG B 99 11.422 13.352 -10.141 1.00 2.58 H new ATOM 0 HD3 ARG B 99 11.852 12.232 -11.418 1.00 2.58 H new ATOM 0 HE ARG B 99 13.487 14.642 -11.490 1.00 3.49 H new ATOM 0 HH11 ARG B 99 13.104 11.427 -10.062 1.00 4.69 H new ATOM 0 HH12 ARG B 99 14.795 11.328 -9.557 1.00 4.69 H new ATOM 0 HH21 ARG B 99 15.647 14.503 -10.814 1.00 5.41 H new ATOM 0 HH22 ARG B 99 16.223 13.056 -9.980 1.00 5.41 H new ATOM 3221 N LYS B 100 10.235 11.610 -16.316 1.00 2.16 N ATOM 3222 CA LYS B 100 10.173 11.481 -17.763 1.00 2.96 C ATOM 3223 C LYS B 100 9.349 10.252 -18.117 1.00 3.79 C ATOM 3224 O LYS B 100 8.458 10.313 -18.965 1.00 4.60 O ATOM 3225 CB LYS B 100 11.578 11.385 -18.381 1.00 3.58 C ATOM 3226 CG LYS B 100 12.456 10.296 -17.781 1.00 4.14 C ATOM 3227 CD LYS B 100 13.800 10.193 -18.484 1.00 5.01 C ATOM 3228 CE LYS B 100 13.645 9.813 -19.950 1.00 5.79 C ATOM 3229 NZ LYS B 100 14.956 9.554 -20.597 1.00 6.34 N ATOM 0 H LYS B 100 9.917 10.780 -15.816 1.00 2.16 H new ATOM 0 HA LYS B 100 9.700 12.373 -18.174 1.00 2.96 H new ATOM 0 HB2 LYS B 100 11.479 11.206 -19.452 1.00 3.58 H new ATOM 0 HB3 LYS B 100 12.080 12.345 -18.263 1.00 3.58 H new ATOM 0 HG2 LYS B 100 12.616 10.502 -16.723 1.00 4.14 H new ATOM 0 HG3 LYS B 100 11.940 9.338 -17.845 1.00 4.14 H new ATOM 0 HD2 LYS B 100 14.323 11.146 -18.409 1.00 5.01 H new ATOM 0 HD3 LYS B 100 14.418 9.450 -17.980 1.00 5.01 H new ATOM 0 HE2 LYS B 100 13.019 8.924 -20.030 1.00 5.79 H new ATOM 0 HE3 LYS B 100 13.131 10.614 -20.480 1.00 5.79 H new ATOM 0 HZ1 LYS B 100 14.807 9.298 -21.594 1.00 6.34 H new ATOM 0 HZ2 LYS B 100 15.545 10.410 -20.543 1.00 6.34 H new ATOM 0 HZ3 LYS B 100 15.436 8.772 -20.107 1.00 6.34 H new ATOM 3243 N LYS B 101 9.664 9.147 -17.440 1.00 3.82 N ATOM 3244 CA LYS B 101 8.926 7.891 -17.562 1.00 4.81 C ATOM 3245 C LYS B 101 8.925 7.382 -19.000 1.00 5.78 C ATOM 3246 O LYS B 101 9.913 6.731 -19.400 1.00 6.45 O ATOM 3247 CB LYS B 101 7.494 8.053 -17.041 1.00 5.01 C ATOM 3248 CG LYS B 101 7.417 8.283 -15.539 1.00 4.42 C ATOM 3249 CD LYS B 101 5.989 8.525 -15.081 1.00 5.04 C ATOM 3250 CE LYS B 101 5.892 8.654 -13.570 1.00 4.78 C ATOM 3251 NZ LYS B 101 4.481 8.767 -13.112 1.00 5.64 N ATOM 3252 OXT LYS B 101 7.942 7.631 -19.724 1.00 6.09 O ATOM 0 H LYS B 101 10.445 9.099 -16.786 1.00 3.82 H new ATOM 0 HA LYS B 101 9.434 7.146 -16.949 1.00 4.81 H new ATOM 0 HB2 LYS B 101 7.022 8.891 -17.554 1.00 5.01 H new ATOM 0 HB3 LYS B 101 6.921 7.161 -17.294 1.00 5.01 H new ATOM 0 HG2 LYS B 101 7.825 7.418 -15.017 1.00 4.42 H new ATOM 0 HG3 LYS B 101 8.036 9.139 -15.270 1.00 4.42 H new ATOM 0 HD2 LYS B 101 5.607 9.433 -15.548 1.00 5.04 H new ATOM 0 HD3 LYS B 101 5.356 7.703 -15.416 1.00 5.04 H new ATOM 0 HE2 LYS B 101 6.357 7.787 -13.101 1.00 4.78 H new ATOM 0 HE3 LYS B 101 6.451 9.531 -13.244 1.00 4.78 H new ATOM 0 HZ1 LYS B 101 4.458 8.853 -12.076 1.00 5.64 H new ATOM 0 HZ2 LYS B 101 4.044 9.608 -13.539 1.00 5.64 H new ATOM 0 HZ3 LYS B 101 3.953 7.919 -13.401 1.00 5.64 H new TER 3266 LYS B 101