USER MOD reduce.3.24.130724 H: found=0, std=0, add=894, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 897 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 Single : A 3 LYS NZ :NH3+ 178:sc= 0.42 (180deg=0.384) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.58) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -1.88 USER MOD Single : A 14 LYS NZ :NH3+ 137:sc= -0.677 (180deg=-2.84!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 1.04 (180deg=0.989) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0271 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -30:sc= 1.07 USER MOD Single : A 38 THR OG1 : rot -150:sc= -0.984 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= 1.04 (180deg=0.588) USER MOD Single : A 44 THR OG1 : rot 79:sc= 1.19 USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 49 THR OG1 : rot -85:sc= 1.22 USER MOD Single : A 54 ASN : amide:sc= -0.339 K(o=-0.34,f=-1) USER MOD Single : A 55 LYS NZ :NH3+ 160:sc= -0.149 (180deg=-0.159) USER MOD Single : A 58 ASN : amide:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0.754 (180deg=0.744) USER MOD Single : A 64 TYR OH : rot 150:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc=-0.00682 X(o=-0.0068,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 143:sc= -1.44 (180deg=-2.82!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 83:sc= 0.069 USER MOD Single : A 81 LYS NZ :NH3+ -120:sc= 0.0507 (180deg=-1.51!) USER MOD Single : A 86 SER OG : rot 79:sc= 0.636 USER MOD Single : A 87 SER OG : rot 65:sc= 1.26 USER MOD Single : A 90 MET CE :methyl -134:sc= -1.43 (180deg=-3.42!) USER MOD Single : A 93 LYS NZ :NH3+ -158:sc= -0.0453 (180deg=-0.39) USER MOD Single : A 99 MET CE :methyl -163:sc= -0.0734 (180deg=-0.534) USER MOD Single : A 102 LYS NZ :NH3+ -131:sc= 0.998 (180deg=-0.0728) USER MOD Single : A 104 THR OG1 : rot -95:sc= -0.482 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0591 X(o=-0.059,f=-0.15) USER MOD Single : A 112 TYR OH : rot 40:sc= -0.487 USER MOD Single : A 113 LYS NZ :NH3+ -138:sc= 0.219 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 87:sc= 0.36 USER MOD ----------------------------------------------------------------- ATOM 18 N ILE A 2 4.677 -0.986 -2.339 1.00 0.00 N ATOM 19 CA ILE A 2 5.810 -1.923 -2.300 1.00 0.00 C ATOM 20 C ILE A 2 6.618 -1.746 -1.003 1.00 0.00 C ATOM 21 O ILE A 2 7.111 -0.665 -0.733 1.00 0.00 O ATOM 22 CB ILE A 2 6.769 -1.679 -3.522 1.00 0.00 C ATOM 23 CG1 ILE A 2 6.001 -1.772 -4.875 1.00 0.00 C ATOM 24 CG2 ILE A 2 7.980 -2.647 -3.505 1.00 0.00 C ATOM 25 CD1 ILE A 2 6.800 -1.294 -6.076 1.00 0.00 C ATOM 0 HA ILE A 2 5.404 -2.933 -2.344 1.00 0.00 H new ATOM 0 HB ILE A 2 7.157 -0.665 -3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.701 -2.807 -5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.087 -1.183 -4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.618 -2.446 -4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.550 -2.500 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.624 -3.676 -3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.195 -1.391 -6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 2 7.077 -0.249 -5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.702 -1.898 -6.177 1.00 0.00 H new ATOM 37 N LYS A 3 6.739 -2.804 -0.210 1.00 0.00 N ATOM 38 CA LYS A 3 7.649 -2.849 0.943 1.00 0.00 C ATOM 39 C LYS A 3 9.097 -2.957 0.444 1.00 0.00 C ATOM 40 O LYS A 3 9.627 -4.060 0.242 1.00 0.00 O ATOM 41 CB LYS A 3 7.275 -4.033 1.867 1.00 0.00 C ATOM 42 CG LYS A 3 5.802 -4.028 2.299 1.00 0.00 C ATOM 43 CD LYS A 3 5.433 -2.779 3.128 1.00 0.00 C ATOM 44 CE LYS A 3 3.943 -2.713 3.471 1.00 0.00 C ATOM 45 NZ LYS A 3 3.607 -1.493 4.246 1.00 0.00 N ATOM 0 H LYS A 3 6.207 -3.664 -0.345 1.00 0.00 H new ATOM 0 HA LYS A 3 7.555 -1.933 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.492 -4.969 1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.906 -4.005 2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.167 -4.073 1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.596 -4.923 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.014 -2.776 4.050 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.713 -1.884 2.572 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.358 -2.732 2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.663 -3.596 4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.584 -1.469 4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.120 -1.504 5.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.881 -0.650 3.702 1.00 0.00 H new ATOM 59 N PHE A 4 9.703 -1.791 0.186 1.00 0.00 N ATOM 60 CA PHE A 4 11.071 -1.697 -0.334 1.00 0.00 C ATOM 61 C PHE A 4 12.069 -1.764 0.833 1.00 0.00 C ATOM 62 O PHE A 4 12.353 -0.751 1.487 1.00 0.00 O ATOM 63 CB PHE A 4 11.265 -0.398 -1.175 1.00 0.00 C ATOM 64 CG PHE A 4 12.691 -0.228 -1.699 1.00 0.00 C ATOM 65 CD1 PHE A 4 13.235 -1.163 -2.577 1.00 0.00 C ATOM 66 CD2 PHE A 4 13.504 0.825 -1.275 1.00 0.00 C ATOM 67 CE1 PHE A 4 14.534 -1.047 -3.027 1.00 0.00 C ATOM 68 CE2 PHE A 4 14.805 0.936 -1.722 1.00 0.00 C ATOM 69 CZ PHE A 4 15.320 -0.001 -2.595 1.00 0.00 C ATOM 0 H PHE A 4 9.257 -0.886 0.333 1.00 0.00 H new ATOM 0 HA PHE A 4 11.256 -2.539 -1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.574 -0.412 -2.018 1.00 0.00 H new ATOM 0 HB3 PHE A 4 11.004 0.466 -0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.630 -1.993 -2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 4 13.110 1.561 -0.590 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.934 -1.775 -3.717 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.421 1.758 -1.388 1.00 0.00 H new ATOM 0 HZ PHE A 4 16.340 0.086 -2.940 1.00 0.00 H new ATOM 79 N TYR A 5 12.566 -2.971 1.110 1.00 0.00 N ATOM 80 CA TYR A 5 13.584 -3.193 2.138 1.00 0.00 C ATOM 81 C TYR A 5 14.988 -2.857 1.592 1.00 0.00 C ATOM 82 O TYR A 5 15.302 -3.122 0.420 1.00 0.00 O ATOM 83 CB TYR A 5 13.520 -4.643 2.647 1.00 0.00 C ATOM 84 CG TYR A 5 12.250 -4.975 3.451 1.00 0.00 C ATOM 85 CD1 TYR A 5 12.182 -4.736 4.825 1.00 0.00 C ATOM 86 CD2 TYR A 5 11.128 -5.537 2.843 1.00 0.00 C ATOM 87 CE1 TYR A 5 11.055 -5.056 5.555 1.00 0.00 C ATOM 88 CE2 TYR A 5 10.001 -5.865 3.572 1.00 0.00 C ATOM 89 CZ TYR A 5 9.967 -5.621 4.926 1.00 0.00 C ATOM 90 OH TYR A 5 8.845 -5.951 5.656 1.00 0.00 O ATOM 0 H TYR A 5 12.274 -3.821 0.628 1.00 0.00 H new ATOM 0 HA TYR A 5 13.384 -2.528 2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.583 -5.319 1.794 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.392 -4.836 3.271 1.00 0.00 H new ATOM 0 HD1 TYR A 5 13.029 -4.292 5.327 1.00 0.00 H new ATOM 0 HD2 TYR A 5 11.140 -5.720 1.779 1.00 0.00 H new ATOM 0 HE1 TYR A 5 11.026 -4.864 6.617 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.149 -6.312 3.081 1.00 0.00 H new ATOM 0 HH TYR A 5 8.170 -6.338 5.061 1.00 0.00 H new ATOM 100 N GLN A 6 15.810 -2.258 2.466 1.00 0.00 N ATOM 101 CA GLN A 6 17.200 -1.845 2.177 1.00 0.00 C ATOM 102 C GLN A 6 17.971 -1.728 3.498 1.00 0.00 C ATOM 103 O GLN A 6 17.378 -1.858 4.556 1.00 0.00 O ATOM 104 CB GLN A 6 17.198 -0.496 1.375 1.00 0.00 C ATOM 105 CG GLN A 6 16.295 0.623 1.967 1.00 0.00 C ATOM 106 CD GLN A 6 16.862 1.346 3.198 1.00 0.00 C ATOM 107 OE1 GLN A 6 18.076 1.532 3.326 1.00 0.00 O ATOM 108 NE2 GLN A 6 15.987 1.729 4.121 1.00 0.00 N ATOM 0 H GLN A 6 15.523 -2.040 3.420 1.00 0.00 H new ATOM 0 HA GLN A 6 17.698 -2.591 1.557 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.221 -0.124 1.318 1.00 0.00 H new ATOM 0 HB3 GLN A 6 16.876 -0.699 0.354 1.00 0.00 H new ATOM 0 HG2 GLN A 6 16.104 1.362 1.189 1.00 0.00 H new ATOM 0 HG3 GLN A 6 15.333 0.186 2.235 1.00 0.00 H new ATOM 0 HE21 GLN A 6 14.991 1.559 3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.311 2.193 4.969 1.00 0.00 H new ATOM 117 N TYR A 7 19.288 -1.489 3.451 1.00 0.00 N ATOM 118 CA TYR A 7 20.048 -1.085 4.658 1.00 0.00 C ATOM 119 C TYR A 7 21.308 -0.320 4.230 1.00 0.00 C ATOM 120 O TYR A 7 22.401 -0.515 4.785 1.00 0.00 O ATOM 121 CB TYR A 7 20.370 -2.312 5.576 1.00 0.00 C ATOM 122 CG TYR A 7 20.756 -1.919 7.023 1.00 0.00 C ATOM 123 CD1 TYR A 7 19.825 -1.301 7.868 1.00 0.00 C ATOM 124 CD2 TYR A 7 22.037 -2.154 7.539 1.00 0.00 C ATOM 125 CE1 TYR A 7 20.157 -0.923 9.159 1.00 0.00 C ATOM 126 CE2 TYR A 7 22.368 -1.782 8.831 1.00 0.00 C ATOM 127 CZ TYR A 7 21.426 -1.171 9.636 1.00 0.00 C ATOM 128 OH TYR A 7 21.761 -0.797 10.922 1.00 0.00 O ATOM 0 H TYR A 7 19.851 -1.565 2.604 1.00 0.00 H new ATOM 0 HA TYR A 7 19.434 -0.418 5.264 1.00 0.00 H new ATOM 0 HB2 TYR A 7 19.502 -2.970 5.607 1.00 0.00 H new ATOM 0 HB3 TYR A 7 21.187 -2.882 5.133 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.825 -1.115 7.505 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.779 -2.634 6.918 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.426 -0.437 9.788 1.00 0.00 H new ATOM 0 HE2 TYR A 7 23.362 -1.969 9.209 1.00 0.00 H new ATOM 0 HH TYR A 7 22.692 -1.044 11.103 1.00 0.00 H new ATOM 213 N CYS A 13 19.438 1.863 -2.586 1.00 0.00 N ATOM 214 CA CYS A 13 18.151 2.453 -2.194 1.00 0.00 C ATOM 215 C CYS A 13 17.818 3.708 -3.008 1.00 0.00 C ATOM 216 O CYS A 13 16.703 3.836 -3.480 1.00 0.00 O ATOM 217 CB CYS A 13 18.131 2.774 -0.691 1.00 0.00 C ATOM 218 SG CYS A 13 16.613 3.576 -0.117 1.00 0.00 S ATOM 0 HA CYS A 13 17.384 1.709 -2.408 1.00 0.00 H new ATOM 0 HB2 CYS A 13 18.272 1.849 -0.132 1.00 0.00 H new ATOM 0 HB3 CYS A 13 18.978 3.419 -0.458 1.00 0.00 H new ATOM 0 HG CYS A 13 16.697 3.801 1.161 1.00 0.00 H new ATOM 224 N LYS A 14 18.805 4.603 -3.202 1.00 0.00 N ATOM 225 CA LYS A 14 18.600 5.867 -3.945 1.00 0.00 C ATOM 226 C LYS A 14 18.180 5.622 -5.399 1.00 0.00 C ATOM 227 O LYS A 14 17.261 6.274 -5.892 1.00 0.00 O ATOM 228 CB LYS A 14 19.866 6.770 -3.900 1.00 0.00 C ATOM 229 CG LYS A 14 20.071 7.525 -2.570 1.00 0.00 C ATOM 230 CD LYS A 14 18.873 8.437 -2.169 1.00 0.00 C ATOM 231 CE LYS A 14 18.638 9.647 -3.105 1.00 0.00 C ATOM 232 NZ LYS A 14 18.090 9.275 -4.437 1.00 0.00 N ATOM 0 H LYS A 14 19.756 4.476 -2.855 1.00 0.00 H new ATOM 0 HA LYS A 14 17.785 6.388 -3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.744 6.152 -4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.806 7.497 -4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 14 20.244 6.800 -1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 14 20.970 8.136 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 14 17.966 7.832 -2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 14 19.038 8.805 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.952 10.342 -2.621 1.00 0.00 H new ATOM 0 HE3 LYS A 14 19.581 10.176 -3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.338 9.942 -4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.849 9.310 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.699 8.312 -4.395 1.00 0.00 H new ATOM 246 N LYS A 15 18.849 4.681 -6.075 1.00 0.00 N ATOM 247 CA LYS A 15 18.602 4.416 -7.501 1.00 0.00 C ATOM 248 C LYS A 15 17.267 3.668 -7.703 1.00 0.00 C ATOM 249 O LYS A 15 16.482 4.018 -8.586 1.00 0.00 O ATOM 250 CB LYS A 15 19.771 3.617 -8.118 1.00 0.00 C ATOM 251 CG LYS A 15 21.163 4.283 -7.978 1.00 0.00 C ATOM 252 CD LYS A 15 22.245 3.577 -8.831 1.00 0.00 C ATOM 253 CE LYS A 15 22.408 2.080 -8.496 1.00 0.00 C ATOM 254 NZ LYS A 15 23.368 1.412 -9.409 1.00 0.00 N ATOM 0 H LYS A 15 19.567 4.088 -5.659 1.00 0.00 H new ATOM 0 HA LYS A 15 18.532 5.375 -8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.806 2.633 -7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.565 3.459 -9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.094 5.329 -8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.465 4.270 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.990 3.680 -9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 15 23.200 4.081 -8.683 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.751 1.973 -7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.439 1.585 -8.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 23.450 0.408 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.028 1.492 -10.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 24.299 1.868 -9.327 1.00 0.00 H new ATOM 268 N ALA A 16 17.016 2.657 -6.860 1.00 0.00 N ATOM 269 CA ALA A 16 15.804 1.812 -6.947 1.00 0.00 C ATOM 270 C ALA A 16 14.545 2.612 -6.594 1.00 0.00 C ATOM 271 O ALA A 16 13.505 2.478 -7.250 1.00 0.00 O ATOM 272 CB ALA A 16 15.942 0.586 -6.040 1.00 0.00 C ATOM 0 H ALA A 16 17.642 2.398 -6.098 1.00 0.00 H new ATOM 0 HA ALA A 16 15.702 1.471 -7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.043 -0.025 -6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.807 -0.001 -6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.075 0.910 -5.008 1.00 0.00 H new ATOM 278 N ALA A 17 14.671 3.460 -5.565 1.00 0.00 N ATOM 279 CA ALA A 17 13.597 4.364 -5.127 1.00 0.00 C ATOM 280 C ALA A 17 13.324 5.439 -6.193 1.00 0.00 C ATOM 281 O ALA A 17 12.173 5.773 -6.447 1.00 0.00 O ATOM 282 CB ALA A 17 13.960 5.017 -3.786 1.00 0.00 C ATOM 0 H ALA A 17 15.523 3.539 -5.010 1.00 0.00 H new ATOM 0 HA ALA A 17 12.688 3.777 -4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.155 5.683 -3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.102 4.243 -3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.881 5.589 -3.897 1.00 0.00 H new ATOM 288 N LYS A 18 14.408 5.955 -6.816 1.00 0.00 N ATOM 289 CA LYS A 18 14.324 6.935 -7.928 1.00 0.00 C ATOM 290 C LYS A 18 13.611 6.329 -9.151 1.00 0.00 C ATOM 291 O LYS A 18 12.858 7.015 -9.837 1.00 0.00 O ATOM 292 CB LYS A 18 15.748 7.416 -8.351 1.00 0.00 C ATOM 293 CG LYS A 18 15.832 8.388 -9.574 1.00 0.00 C ATOM 294 CD LYS A 18 15.605 9.895 -9.236 1.00 0.00 C ATOM 295 CE LYS A 18 14.161 10.262 -8.838 1.00 0.00 C ATOM 296 NZ LYS A 18 13.174 9.967 -9.917 1.00 0.00 N ATOM 0 H LYS A 18 15.364 5.706 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 18 13.747 7.786 -7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 18 16.208 7.908 -7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 18 16.351 6.536 -8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.812 8.279 -10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.092 8.082 -10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.273 10.174 -8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.891 10.493 -10.101 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.885 9.711 -7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.115 11.322 -8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.235 10.310 -9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.465 10.445 -10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.133 8.941 -10.079 1.00 0.00 H new ATOM 310 N PHE A 19 13.866 5.036 -9.392 1.00 0.00 N ATOM 311 CA PHE A 19 13.325 4.284 -10.541 1.00 0.00 C ATOM 312 C PHE A 19 11.803 4.098 -10.383 1.00 0.00 C ATOM 313 O PHE A 19 11.020 4.415 -11.288 1.00 0.00 O ATOM 314 CB PHE A 19 14.055 2.916 -10.645 1.00 0.00 C ATOM 315 CG PHE A 19 13.792 2.149 -11.939 1.00 0.00 C ATOM 316 CD1 PHE A 19 14.468 2.486 -13.113 1.00 0.00 C ATOM 317 CD2 PHE A 19 12.884 1.097 -11.989 1.00 0.00 C ATOM 318 CE1 PHE A 19 14.240 1.798 -14.288 1.00 0.00 C ATOM 319 CE2 PHE A 19 12.662 0.409 -13.166 1.00 0.00 C ATOM 320 CZ PHE A 19 13.337 0.758 -14.315 1.00 0.00 C ATOM 0 H PHE A 19 14.462 4.471 -8.787 1.00 0.00 H new ATOM 0 HA PHE A 19 13.496 4.840 -11.463 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.128 3.084 -10.550 1.00 0.00 H new ATOM 0 HB3 PHE A 19 13.754 2.294 -9.802 1.00 0.00 H new ATOM 0 HD1 PHE A 19 15.180 3.298 -13.102 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.346 0.814 -11.096 1.00 0.00 H new ATOM 0 HE1 PHE A 19 14.770 2.075 -15.187 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.955 -0.407 -13.186 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.159 0.218 -15.233 1.00 0.00 H new ATOM 330 N LEU A 20 11.412 3.613 -9.197 1.00 0.00 N ATOM 331 CA LEU A 20 10.004 3.428 -8.809 1.00 0.00 C ATOM 332 C LEU A 20 9.258 4.781 -8.806 1.00 0.00 C ATOM 333 O LEU A 20 8.124 4.872 -9.264 1.00 0.00 O ATOM 334 CB LEU A 20 9.947 2.725 -7.424 1.00 0.00 C ATOM 335 CG LEU A 20 10.405 1.226 -7.419 1.00 0.00 C ATOM 336 CD1 LEU A 20 10.624 0.693 -5.983 1.00 0.00 C ATOM 337 CD2 LEU A 20 9.394 0.343 -8.185 1.00 0.00 C ATOM 0 H LEU A 20 12.071 3.334 -8.470 1.00 0.00 H new ATOM 0 HA LEU A 20 9.499 2.793 -9.537 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.572 3.282 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.925 2.778 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 20 11.366 1.178 -7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.941 -0.349 -6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.393 1.286 -5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.693 0.766 -5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.731 -0.693 -8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.416 0.414 -7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.321 0.685 -9.217 1.00 0.00 H new ATOM 349 N ASP A 21 9.947 5.835 -8.340 1.00 0.00 N ATOM 350 CA ASP A 21 9.428 7.223 -8.336 1.00 0.00 C ATOM 351 C ASP A 21 9.284 7.783 -9.772 1.00 0.00 C ATOM 352 O ASP A 21 8.342 8.533 -10.061 1.00 0.00 O ATOM 353 CB ASP A 21 10.366 8.127 -7.488 1.00 0.00 C ATOM 354 CG ASP A 21 10.030 9.630 -7.558 1.00 0.00 C ATOM 355 OD1 ASP A 21 8.988 10.042 -7.006 1.00 0.00 O ATOM 356 OD2 ASP A 21 10.805 10.411 -8.161 1.00 0.00 O ATOM 0 H ASP A 21 10.887 5.753 -7.952 1.00 0.00 H new ATOM 0 HA ASP A 21 8.433 7.215 -7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.320 7.804 -6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.393 7.980 -7.822 1.00 0.00 H new ATOM 361 N GLU A 22 10.213 7.392 -10.664 1.00 0.00 N ATOM 362 CA GLU A 22 10.244 7.851 -12.073 1.00 0.00 C ATOM 363 C GLU A 22 9.011 7.339 -12.840 1.00 0.00 C ATOM 364 O GLU A 22 8.364 8.089 -13.582 1.00 0.00 O ATOM 365 CB GLU A 22 11.551 7.375 -12.765 1.00 0.00 C ATOM 366 CG GLU A 22 11.623 7.654 -14.284 1.00 0.00 C ATOM 367 CD GLU A 22 12.942 7.202 -14.937 1.00 0.00 C ATOM 368 OE1 GLU A 22 13.243 5.991 -14.914 1.00 0.00 O ATOM 369 OE2 GLU A 22 13.677 8.053 -15.493 1.00 0.00 O ATOM 0 H GLU A 22 10.968 6.747 -10.431 1.00 0.00 H new ATOM 0 HA GLU A 22 10.222 8.941 -12.081 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.399 7.860 -12.281 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.661 6.303 -12.602 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.793 7.148 -14.777 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.492 8.723 -14.454 1.00 0.00 H new ATOM 376 N TYR A 23 8.704 6.051 -12.640 1.00 0.00 N ATOM 377 CA TYR A 23 7.516 5.404 -13.237 1.00 0.00 C ATOM 378 C TYR A 23 6.244 5.683 -12.405 1.00 0.00 C ATOM 379 O TYR A 23 5.131 5.328 -12.821 1.00 0.00 O ATOM 380 CB TYR A 23 7.773 3.889 -13.390 1.00 0.00 C ATOM 381 CG TYR A 23 8.809 3.548 -14.477 1.00 0.00 C ATOM 382 CD1 TYR A 23 10.177 3.732 -14.261 1.00 0.00 C ATOM 383 CD2 TYR A 23 8.418 3.041 -15.722 1.00 0.00 C ATOM 384 CE1 TYR A 23 11.107 3.426 -15.231 1.00 0.00 C ATOM 385 CE2 TYR A 23 9.351 2.729 -16.694 1.00 0.00 C ATOM 386 CZ TYR A 23 10.694 2.922 -16.444 1.00 0.00 C ATOM 387 OH TYR A 23 11.623 2.612 -17.416 1.00 0.00 O ATOM 0 H TYR A 23 9.266 5.425 -12.063 1.00 0.00 H new ATOM 0 HA TYR A 23 7.344 5.830 -14.226 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.114 3.488 -12.436 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.833 3.391 -13.627 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.513 4.123 -13.312 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.368 2.891 -15.927 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.159 3.581 -15.040 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.029 2.335 -17.647 1.00 0.00 H new ATOM 0 HH TYR A 23 11.163 2.267 -18.210 1.00 0.00 H new ATOM 397 N GLY A 24 6.425 6.314 -11.223 1.00 0.00 N ATOM 398 CA GLY A 24 5.313 6.784 -10.388 1.00 0.00 C ATOM 399 C GLY A 24 4.664 5.694 -9.540 1.00 0.00 C ATOM 400 O GLY A 24 3.558 5.880 -9.023 1.00 0.00 O ATOM 0 H GLY A 24 7.345 6.508 -10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.676 7.573 -9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.554 7.229 -11.031 1.00 0.00 H new ATOM 404 N VAL A 25 5.354 4.555 -9.410 1.00 0.00 N ATOM 405 CA VAL A 25 4.903 3.408 -8.607 1.00 0.00 C ATOM 406 C VAL A 25 5.260 3.644 -7.125 1.00 0.00 C ATOM 407 O VAL A 25 6.428 3.902 -6.797 1.00 0.00 O ATOM 408 CB VAL A 25 5.562 2.075 -9.124 1.00 0.00 C ATOM 409 CG1 VAL A 25 5.024 0.837 -8.368 1.00 0.00 C ATOM 410 CG2 VAL A 25 5.367 1.916 -10.650 1.00 0.00 C ATOM 0 H VAL A 25 6.254 4.400 -9.865 1.00 0.00 H new ATOM 0 HA VAL A 25 3.822 3.311 -8.705 1.00 0.00 H new ATOM 0 HB VAL A 25 6.631 2.142 -8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.504 -0.062 -8.755 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.243 0.937 -7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.946 0.763 -8.511 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.832 0.987 -10.981 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.302 1.891 -10.880 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.830 2.757 -11.166 1.00 0.00 H new ATOM 420 N SER A 26 4.242 3.581 -6.246 1.00 0.00 N ATOM 421 CA SER A 26 4.409 3.796 -4.800 1.00 0.00 C ATOM 422 C SER A 26 5.206 2.650 -4.142 1.00 0.00 C ATOM 423 O SER A 26 4.929 1.467 -4.367 1.00 0.00 O ATOM 424 CB SER A 26 3.034 3.950 -4.119 1.00 0.00 C ATOM 425 OG SER A 26 2.359 5.101 -4.589 1.00 0.00 O ATOM 0 H SER A 26 3.281 3.379 -6.521 1.00 0.00 H new ATOM 0 HA SER A 26 4.979 4.716 -4.666 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.428 3.065 -4.312 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.165 4.017 -3.039 1.00 0.00 H new ATOM 0 HG SER A 26 1.489 5.175 -4.143 1.00 0.00 H new ATOM 431 N TYR A 27 6.182 3.039 -3.322 1.00 0.00 N ATOM 432 CA TYR A 27 7.051 2.124 -2.570 1.00 0.00 C ATOM 433 C TYR A 27 7.145 2.604 -1.105 1.00 0.00 C ATOM 434 O TYR A 27 6.587 3.647 -0.751 1.00 0.00 O ATOM 435 CB TYR A 27 8.450 2.047 -3.235 1.00 0.00 C ATOM 436 CG TYR A 27 9.172 3.400 -3.327 1.00 0.00 C ATOM 437 CD1 TYR A 27 8.909 4.292 -4.372 1.00 0.00 C ATOM 438 CD2 TYR A 27 10.098 3.791 -2.359 1.00 0.00 C ATOM 439 CE1 TYR A 27 9.538 5.517 -4.445 1.00 0.00 C ATOM 440 CE2 TYR A 27 10.727 5.013 -2.430 1.00 0.00 C ATOM 441 CZ TYR A 27 10.448 5.873 -3.475 1.00 0.00 C ATOM 442 OH TYR A 27 11.088 7.098 -3.542 1.00 0.00 O ATOM 0 H TYR A 27 6.398 4.022 -3.156 1.00 0.00 H new ATOM 0 HA TYR A 27 6.629 1.119 -2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.072 1.352 -2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.342 1.635 -4.238 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.199 4.016 -5.137 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.325 3.124 -1.541 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.318 6.193 -5.258 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.438 5.300 -1.669 1.00 0.00 H new ATOM 0 HH TYR A 27 11.697 7.191 -2.780 1.00 0.00 H new ATOM 452 N GLU A 28 7.861 1.840 -0.273 1.00 0.00 N ATOM 453 CA GLU A 28 8.046 2.134 1.157 1.00 0.00 C ATOM 454 C GLU A 28 9.515 1.850 1.531 1.00 0.00 C ATOM 455 O GLU A 28 9.878 0.683 1.682 1.00 0.00 O ATOM 456 CB GLU A 28 7.067 1.264 2.003 1.00 0.00 C ATOM 457 CG GLU A 28 7.126 1.506 3.521 1.00 0.00 C ATOM 458 CD GLU A 28 5.995 0.793 4.285 1.00 0.00 C ATOM 459 OE1 GLU A 28 4.810 1.138 4.059 1.00 0.00 O ATOM 460 OE2 GLU A 28 6.267 -0.122 5.095 1.00 0.00 O ATOM 0 H GLU A 28 8.335 0.989 -0.575 1.00 0.00 H new ATOM 0 HA GLU A 28 7.825 3.181 1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.050 1.452 1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.280 0.213 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.088 1.162 3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.070 2.577 3.716 1.00 0.00 H new ATOM 467 N PRO A 29 10.394 2.908 1.627 1.00 0.00 N ATOM 468 CA PRO A 29 11.826 2.733 1.967 1.00 0.00 C ATOM 469 C PRO A 29 12.028 2.411 3.470 1.00 0.00 C ATOM 470 O PRO A 29 12.120 3.303 4.322 1.00 0.00 O ATOM 471 CB PRO A 29 12.455 4.091 1.552 1.00 0.00 C ATOM 472 CG PRO A 29 11.346 5.084 1.738 1.00 0.00 C ATOM 473 CD PRO A 29 10.061 4.345 1.402 1.00 0.00 C ATOM 0 HA PRO A 29 12.290 1.888 1.458 1.00 0.00 H new ATOM 0 HB2 PRO A 29 13.317 4.336 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.801 4.070 0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.325 5.458 2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.482 5.947 1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.238 4.667 2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.755 4.526 0.371 1.00 0.00 H new ATOM 481 N ILE A 30 12.042 1.107 3.774 1.00 0.00 N ATOM 482 CA ILE A 30 12.199 0.569 5.136 1.00 0.00 C ATOM 483 C ILE A 30 13.453 -0.310 5.205 1.00 0.00 C ATOM 484 O ILE A 30 13.977 -0.753 4.184 1.00 0.00 O ATOM 485 CB ILE A 30 10.912 -0.232 5.585 1.00 0.00 C ATOM 486 CG1 ILE A 30 10.429 -1.195 4.443 1.00 0.00 C ATOM 487 CG2 ILE A 30 9.788 0.746 6.015 1.00 0.00 C ATOM 488 CD1 ILE A 30 9.184 -2.009 4.751 1.00 0.00 C ATOM 0 H ILE A 30 11.943 0.379 3.066 1.00 0.00 H new ATOM 0 HA ILE A 30 12.318 1.401 5.830 1.00 0.00 H new ATOM 0 HB ILE A 30 11.169 -0.847 6.447 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.241 -0.602 3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.241 -1.882 4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.909 0.178 6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.135 1.355 6.850 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.528 1.393 5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.940 -2.639 3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.366 -2.637 5.623 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.351 -1.336 4.956 1.00 0.00 H new ATOM 500 N ASP A 31 13.958 -0.509 6.423 1.00 0.00 N ATOM 501 CA ASP A 31 15.204 -1.250 6.662 1.00 0.00 C ATOM 502 C ASP A 31 14.937 -2.748 6.814 1.00 0.00 C ATOM 503 O ASP A 31 14.009 -3.141 7.513 1.00 0.00 O ATOM 504 CB ASP A 31 15.910 -0.690 7.903 1.00 0.00 C ATOM 505 CG ASP A 31 16.339 0.777 7.706 1.00 0.00 C ATOM 506 OD1 ASP A 31 15.519 1.691 7.956 1.00 0.00 O ATOM 507 OD2 ASP A 31 17.488 1.024 7.274 1.00 0.00 O ATOM 0 H ASP A 31 13.517 -0.162 7.275 1.00 0.00 H new ATOM 0 HA ASP A 31 15.856 -1.122 5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.244 -0.761 8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.787 -1.298 8.127 1.00 0.00 H new ATOM 512 N ILE A 32 15.788 -3.568 6.172 1.00 0.00 N ATOM 513 CA ILE A 32 15.619 -5.030 6.103 1.00 0.00 C ATOM 514 C ILE A 32 15.780 -5.681 7.488 1.00 0.00 C ATOM 515 O ILE A 32 15.016 -6.570 7.840 1.00 0.00 O ATOM 516 CB ILE A 32 16.623 -5.678 5.066 1.00 0.00 C ATOM 517 CG1 ILE A 32 16.348 -7.215 4.869 1.00 0.00 C ATOM 518 CG2 ILE A 32 18.099 -5.413 5.451 1.00 0.00 C ATOM 519 CD1 ILE A 32 15.050 -7.540 4.152 1.00 0.00 C ATOM 0 H ILE A 32 16.618 -3.232 5.683 1.00 0.00 H new ATOM 0 HA ILE A 32 14.603 -5.220 5.756 1.00 0.00 H new ATOM 0 HB ILE A 32 16.446 -5.191 4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.176 -7.649 4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.338 -7.697 5.847 1.00 0.00 H new ATOM 0 HG21 ILE A 32 18.756 -5.875 4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 32 18.281 -4.339 5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 32 18.301 -5.839 6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.945 -8.621 4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.210 -7.140 4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.061 -7.092 3.158 1.00 0.00 H new ATOM 531 N VAL A 33 16.773 -5.208 8.268 1.00 0.00 N ATOM 532 CA VAL A 33 17.085 -5.767 9.605 1.00 0.00 C ATOM 533 C VAL A 33 16.184 -5.152 10.698 1.00 0.00 C ATOM 534 O VAL A 33 15.826 -5.819 11.675 1.00 0.00 O ATOM 535 CB VAL A 33 18.607 -5.561 9.971 1.00 0.00 C ATOM 536 CG1 VAL A 33 18.989 -4.071 10.009 1.00 0.00 C ATOM 537 CG2 VAL A 33 18.990 -6.265 11.299 1.00 0.00 C ATOM 0 H VAL A 33 17.379 -4.434 7.995 1.00 0.00 H new ATOM 0 HA VAL A 33 16.884 -6.837 9.560 1.00 0.00 H new ATOM 0 HB VAL A 33 19.182 -6.032 9.174 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.044 -3.972 10.264 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.809 -3.624 9.031 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.385 -3.560 10.758 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.046 -6.095 11.509 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.388 -5.860 12.112 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.805 -7.336 11.210 1.00 0.00 H new ATOM 547 N GLN A 34 15.804 -3.883 10.496 1.00 0.00 N ATOM 548 CA GLN A 34 15.074 -3.087 11.501 1.00 0.00 C ATOM 549 C GLN A 34 13.550 -3.301 11.370 1.00 0.00 C ATOM 550 O GLN A 34 12.783 -2.985 12.283 1.00 0.00 O ATOM 551 CB GLN A 34 15.461 -1.592 11.332 1.00 0.00 C ATOM 552 CG GLN A 34 15.173 -0.696 12.548 1.00 0.00 C ATOM 553 CD GLN A 34 15.612 0.757 12.352 1.00 0.00 C ATOM 554 OE1 GLN A 34 16.571 1.040 11.634 1.00 0.00 O ATOM 555 NE2 GLN A 34 14.927 1.679 13.012 1.00 0.00 N ATOM 0 H GLN A 34 15.993 -3.376 9.631 1.00 0.00 H new ATOM 0 HA GLN A 34 15.352 -3.413 12.503 1.00 0.00 H new ATOM 0 HB2 GLN A 34 16.525 -1.533 11.102 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.926 -1.191 10.471 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.104 -0.719 12.761 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.681 -1.106 13.421 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.138 1.406 13.598 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.189 2.662 12.934 1.00 0.00 H new ATOM 564 N HIS A 35 13.134 -3.850 10.216 1.00 0.00 N ATOM 565 CA HIS A 35 11.719 -4.157 9.905 1.00 0.00 C ATOM 566 C HIS A 35 11.584 -5.601 9.385 1.00 0.00 C ATOM 567 O HIS A 35 10.674 -5.888 8.599 1.00 0.00 O ATOM 568 CB HIS A 35 11.167 -3.133 8.856 1.00 0.00 C ATOM 569 CG HIS A 35 10.814 -1.780 9.414 1.00 0.00 C ATOM 570 ND1 HIS A 35 9.560 -1.478 9.906 1.00 0.00 N ATOM 571 CD2 HIS A 35 11.550 -0.654 9.568 1.00 0.00 C ATOM 572 CE1 HIS A 35 9.538 -0.235 10.329 1.00 0.00 C ATOM 573 NE2 HIS A 35 10.734 0.291 10.140 1.00 0.00 N ATOM 0 H HIS A 35 13.774 -4.097 9.462 1.00 0.00 H new ATOM 0 HA HIS A 35 11.129 -4.070 10.817 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.912 -3.003 8.071 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.280 -3.559 8.387 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.586 -0.523 9.292 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.686 0.271 10.759 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.007 1.244 10.380 1.00 0.00 H new ATOM 582 N THR A 36 12.470 -6.513 9.861 1.00 0.00 N ATOM 583 CA THR A 36 12.471 -7.927 9.426 1.00 0.00 C ATOM 584 C THR A 36 11.112 -8.596 9.756 1.00 0.00 C ATOM 585 O THR A 36 10.720 -8.624 10.934 1.00 0.00 O ATOM 586 CB THR A 36 13.623 -8.766 10.099 1.00 0.00 C ATOM 587 OG1 THR A 36 14.816 -7.993 10.172 1.00 0.00 O ATOM 588 CG2 THR A 36 13.930 -10.060 9.310 1.00 0.00 C ATOM 0 H THR A 36 13.192 -6.290 10.546 1.00 0.00 H new ATOM 0 HA THR A 36 12.640 -7.918 8.349 1.00 0.00 H new ATOM 0 HB THR A 36 13.278 -9.035 11.098 1.00 0.00 H new ATOM 0 HG1 THR A 36 14.839 -7.356 9.428 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.730 -10.609 9.808 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.035 -10.681 9.268 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.242 -9.803 8.297 1.00 0.00 H new ATOM 596 N PRO A 37 10.361 -9.109 8.732 1.00 0.00 N ATOM 597 CA PRO A 37 9.075 -9.803 8.965 1.00 0.00 C ATOM 598 C PRO A 37 9.278 -11.197 9.605 1.00 0.00 C ATOM 599 O PRO A 37 10.401 -11.718 9.627 1.00 0.00 O ATOM 600 CB PRO A 37 8.463 -9.876 7.543 1.00 0.00 C ATOM 601 CG PRO A 37 9.634 -9.897 6.617 1.00 0.00 C ATOM 602 CD PRO A 37 10.698 -9.044 7.276 1.00 0.00 C ATOM 0 HA PRO A 37 8.426 -9.289 9.674 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.849 -10.769 7.423 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.820 -9.018 7.346 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.991 -10.915 6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.365 -9.500 5.638 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.698 -9.431 7.080 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.674 -8.019 6.906 1.00 0.00 H new ATOM 610 N THR A 38 8.191 -11.774 10.150 1.00 0.00 N ATOM 611 CA THR A 38 8.236 -13.074 10.855 1.00 0.00 C ATOM 612 C THR A 38 8.373 -14.241 9.859 1.00 0.00 C ATOM 613 O THR A 38 8.293 -14.038 8.646 1.00 0.00 O ATOM 614 CB THR A 38 6.957 -13.295 11.741 1.00 0.00 C ATOM 615 OG1 THR A 38 5.796 -13.498 10.917 1.00 0.00 O ATOM 616 CG2 THR A 38 6.694 -12.112 12.687 1.00 0.00 C ATOM 0 H THR A 38 7.261 -11.357 10.116 1.00 0.00 H new ATOM 0 HA THR A 38 9.112 -13.051 11.504 1.00 0.00 H new ATOM 0 HB THR A 38 7.147 -14.183 12.343 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.001 -13.168 11.385 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.800 -12.311 13.278 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.548 -11.981 13.352 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.547 -11.204 12.102 1.00 0.00 H new ATOM 624 N ILE A 39 8.555 -15.460 10.399 1.00 0.00 N ATOM 625 CA ILE A 39 8.582 -16.716 9.612 1.00 0.00 C ATOM 626 C ILE A 39 7.262 -16.871 8.841 1.00 0.00 C ATOM 627 O ILE A 39 7.249 -17.277 7.677 1.00 0.00 O ATOM 628 CB ILE A 39 8.788 -17.950 10.572 1.00 0.00 C ATOM 629 CG1 ILE A 39 10.081 -17.760 11.425 1.00 0.00 C ATOM 630 CG2 ILE A 39 8.813 -19.298 9.804 1.00 0.00 C ATOM 631 CD1 ILE A 39 10.245 -18.737 12.570 1.00 0.00 C ATOM 0 H ILE A 39 8.689 -15.607 11.399 1.00 0.00 H new ATOM 0 HA ILE A 39 9.410 -16.676 8.904 1.00 0.00 H new ATOM 0 HB ILE A 39 7.929 -17.993 11.242 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.947 -17.846 10.768 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.086 -16.747 11.828 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.957 -20.116 10.510 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.868 -19.435 9.278 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.631 -19.291 9.084 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.172 -18.523 13.101 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.403 -18.639 13.256 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.278 -19.754 12.179 1.00 0.00 H new ATOM 643 N ASN A 40 6.169 -16.490 9.523 1.00 0.00 N ATOM 644 CA ASN A 40 4.805 -16.542 8.983 1.00 0.00 C ATOM 645 C ASN A 40 4.631 -15.513 7.845 1.00 0.00 C ATOM 646 O ASN A 40 4.067 -15.828 6.793 1.00 0.00 O ATOM 647 CB ASN A 40 3.778 -16.287 10.115 1.00 0.00 C ATOM 648 CG ASN A 40 2.324 -16.556 9.704 1.00 0.00 C ATOM 649 OD1 ASN A 40 2.048 -17.429 8.877 1.00 0.00 O ATOM 650 ND2 ASN A 40 1.380 -15.821 10.283 1.00 0.00 N ATOM 0 H ASN A 40 6.211 -16.133 10.477 1.00 0.00 H new ATOM 0 HA ASN A 40 4.629 -17.535 8.569 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.027 -16.918 10.968 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.867 -15.253 10.447 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.399 -15.972 10.047 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.636 -15.106 10.964 1.00 0.00 H new ATOM 657 N GLU A 41 5.155 -14.295 8.061 1.00 0.00 N ATOM 658 CA GLU A 41 5.089 -13.201 7.070 1.00 0.00 C ATOM 659 C GLU A 41 5.927 -13.534 5.814 1.00 0.00 C ATOM 660 O GLU A 41 5.522 -13.210 4.688 1.00 0.00 O ATOM 661 CB GLU A 41 5.586 -11.875 7.687 1.00 0.00 C ATOM 662 CG GLU A 41 4.754 -11.323 8.860 1.00 0.00 C ATOM 663 CD GLU A 41 3.311 -10.977 8.477 1.00 0.00 C ATOM 664 OE1 GLU A 41 3.119 -10.053 7.659 1.00 0.00 O ATOM 665 OE2 GLU A 41 2.368 -11.626 8.978 1.00 0.00 O ATOM 0 H GLU A 41 5.635 -14.039 8.924 1.00 0.00 H new ATOM 0 HA GLU A 41 4.046 -13.089 6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.611 -12.018 8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.615 -11.120 6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.742 -12.059 9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.241 -10.430 9.252 1.00 0.00 H new ATOM 672 N PHE A 42 7.087 -14.192 6.029 1.00 0.00 N ATOM 673 CA PHE A 42 7.979 -14.634 4.942 1.00 0.00 C ATOM 674 C PHE A 42 7.267 -15.686 4.076 1.00 0.00 C ATOM 675 O PHE A 42 7.083 -15.469 2.887 1.00 0.00 O ATOM 676 CB PHE A 42 9.334 -15.194 5.480 1.00 0.00 C ATOM 677 CG PHE A 42 10.442 -14.152 5.680 1.00 0.00 C ATOM 678 CD1 PHE A 42 10.992 -13.484 4.579 1.00 0.00 C ATOM 679 CD2 PHE A 42 10.946 -13.853 6.943 1.00 0.00 C ATOM 680 CE1 PHE A 42 12.005 -12.553 4.743 1.00 0.00 C ATOM 681 CE2 PHE A 42 11.960 -12.924 7.103 1.00 0.00 C ATOM 682 CZ PHE A 42 12.488 -12.277 6.004 1.00 0.00 C ATOM 0 H PHE A 42 7.428 -14.430 6.960 1.00 0.00 H new ATOM 0 HA PHE A 42 8.215 -13.761 4.333 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.150 -15.691 6.432 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.694 -15.955 4.787 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.621 -13.698 3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.540 -14.353 7.810 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.416 -12.044 3.884 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.339 -12.705 8.090 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.280 -11.554 6.132 1.00 0.00 H new ATOM 692 N LYS A 43 6.831 -16.803 4.689 1.00 0.00 N ATOM 693 CA LYS A 43 6.171 -17.907 3.943 1.00 0.00 C ATOM 694 C LYS A 43 4.891 -17.427 3.226 1.00 0.00 C ATOM 695 O LYS A 43 4.531 -17.967 2.176 1.00 0.00 O ATOM 696 CB LYS A 43 5.861 -19.110 4.866 1.00 0.00 C ATOM 697 CG LYS A 43 4.895 -18.816 6.026 1.00 0.00 C ATOM 698 CD LYS A 43 4.621 -20.036 6.932 1.00 0.00 C ATOM 699 CE LYS A 43 5.883 -20.553 7.640 1.00 0.00 C ATOM 700 NZ LYS A 43 5.580 -21.651 8.588 1.00 0.00 N ATOM 0 H LYS A 43 6.920 -16.970 5.691 1.00 0.00 H new ATOM 0 HA LYS A 43 6.876 -18.239 3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.441 -19.913 4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.799 -19.480 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.306 -18.009 6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.950 -18.458 5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.876 -19.766 7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.193 -20.839 6.332 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.598 -20.904 6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.359 -19.732 8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.422 -22.251 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.310 -21.250 9.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.796 -22.224 8.216 1.00 0.00 H new ATOM 714 N THR A 44 4.234 -16.395 3.798 1.00 0.00 N ATOM 715 CA THR A 44 3.094 -15.725 3.155 1.00 0.00 C ATOM 716 C THR A 44 3.526 -15.060 1.831 1.00 0.00 C ATOM 717 O THR A 44 3.013 -15.426 0.771 1.00 0.00 O ATOM 718 CB THR A 44 2.429 -14.678 4.111 1.00 0.00 C ATOM 719 OG1 THR A 44 1.847 -15.369 5.227 1.00 0.00 O ATOM 720 CG2 THR A 44 1.341 -13.825 3.421 1.00 0.00 C ATOM 0 H THR A 44 4.479 -16.009 4.710 1.00 0.00 H new ATOM 0 HA THR A 44 2.348 -16.487 2.930 1.00 0.00 H new ATOM 0 HB THR A 44 3.214 -13.993 4.432 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.548 -15.596 5.873 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.921 -13.120 4.139 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.782 -13.276 2.589 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.551 -14.476 3.047 1.00 0.00 H new ATOM 728 N ILE A 45 4.515 -14.132 1.890 1.00 0.00 N ATOM 729 CA ILE A 45 4.937 -13.360 0.694 1.00 0.00 C ATOM 730 C ILE A 45 5.507 -14.287 -0.397 1.00 0.00 C ATOM 731 O ILE A 45 5.312 -14.043 -1.572 1.00 0.00 O ATOM 732 CB ILE A 45 5.960 -12.197 1.016 1.00 0.00 C ATOM 733 CG1 ILE A 45 7.360 -12.733 1.495 1.00 0.00 C ATOM 734 CG2 ILE A 45 5.354 -11.199 2.034 1.00 0.00 C ATOM 735 CD1 ILE A 45 8.386 -11.661 1.859 1.00 0.00 C ATOM 0 H ILE A 45 5.029 -13.903 2.741 1.00 0.00 H new ATOM 0 HA ILE A 45 4.031 -12.882 0.322 1.00 0.00 H new ATOM 0 HB ILE A 45 6.143 -11.665 0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.206 -13.374 2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.779 -13.359 0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.075 -10.408 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.445 -10.763 1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.115 -11.723 2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.314 -12.138 2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.579 -11.032 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.998 -11.047 2.672 1.00 0.00 H new ATOM 747 N ILE A 46 6.156 -15.377 0.026 1.00 0.00 N ATOM 748 CA ILE A 46 6.754 -16.379 -0.877 1.00 0.00 C ATOM 749 C ILE A 46 5.665 -17.198 -1.588 1.00 0.00 C ATOM 750 O ILE A 46 5.772 -17.466 -2.787 1.00 0.00 O ATOM 751 CB ILE A 46 7.743 -17.293 -0.064 1.00 0.00 C ATOM 752 CG1 ILE A 46 8.942 -16.429 0.446 1.00 0.00 C ATOM 753 CG2 ILE A 46 8.250 -18.516 -0.877 1.00 0.00 C ATOM 754 CD1 ILE A 46 9.624 -16.963 1.669 1.00 0.00 C ATOM 0 H ILE A 46 6.285 -15.595 1.014 1.00 0.00 H new ATOM 0 HA ILE A 46 7.321 -15.870 -1.656 1.00 0.00 H new ATOM 0 HB ILE A 46 7.192 -17.704 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.677 -16.343 -0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.582 -15.422 0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.928 -19.107 -0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.401 -19.132 -1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.777 -18.169 -1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.442 -16.299 1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.908 -17.022 2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.019 -17.957 1.460 1.00 0.00 H new ATOM 766 N ALA A 47 4.605 -17.561 -0.847 1.00 0.00 N ATOM 767 CA ALA A 47 3.443 -18.291 -1.409 1.00 0.00 C ATOM 768 C ALA A 47 2.627 -17.398 -2.369 1.00 0.00 C ATOM 769 O ALA A 47 2.060 -17.878 -3.353 1.00 0.00 O ATOM 770 CB ALA A 47 2.551 -18.824 -0.276 1.00 0.00 C ATOM 0 H ALA A 47 4.524 -17.362 0.150 1.00 0.00 H new ATOM 0 HA ALA A 47 3.822 -19.135 -1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.702 -19.358 -0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.128 -19.503 0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.190 -17.990 0.326 1.00 0.00 H new ATOM 776 N ASN A 48 2.589 -16.092 -2.065 1.00 0.00 N ATOM 777 CA ASN A 48 1.783 -15.098 -2.806 1.00 0.00 C ATOM 778 C ASN A 48 2.479 -14.647 -4.107 1.00 0.00 C ATOM 779 O ASN A 48 1.823 -14.464 -5.137 1.00 0.00 O ATOM 780 CB ASN A 48 1.511 -13.870 -1.896 1.00 0.00 C ATOM 781 CG ASN A 48 0.525 -14.100 -0.737 1.00 0.00 C ATOM 782 OD1 ASN A 48 0.401 -15.328 -0.245 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 -0.130 -13.162 -0.277 1.00 0.00 N flip ATOM 0 H ASN A 48 3.119 -15.688 -1.293 1.00 0.00 H new ATOM 0 HA ASN A 48 0.841 -15.570 -3.086 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.460 -13.533 -1.479 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.130 -13.059 -2.517 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.023 -12.225 -0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.779 -13.323 0.493 1.00 0.00 H new ATOM 790 N THR A 49 3.806 -14.453 -4.048 1.00 0.00 N ATOM 791 CA THR A 49 4.594 -13.934 -5.186 1.00 0.00 C ATOM 792 C THR A 49 5.157 -15.078 -6.050 1.00 0.00 C ATOM 793 O THR A 49 5.171 -14.993 -7.288 1.00 0.00 O ATOM 794 CB THR A 49 5.765 -13.032 -4.678 1.00 0.00 C ATOM 795 OG1 THR A 49 6.699 -13.816 -3.910 1.00 0.00 O ATOM 796 CG2 THR A 49 5.260 -11.858 -3.812 1.00 0.00 C ATOM 0 H THR A 49 4.364 -14.649 -3.217 1.00 0.00 H new ATOM 0 HA THR A 49 3.922 -13.337 -5.803 1.00 0.00 H new ATOM 0 HB THR A 49 6.256 -12.619 -5.559 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.391 -13.875 -2.982 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.108 -11.259 -3.481 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.584 -11.237 -4.400 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.731 -12.248 -2.943 1.00 0.00 H new ATOM 804 N GLY A 50 5.617 -16.150 -5.375 1.00 0.00 N ATOM 805 CA GLY A 50 6.256 -17.295 -6.036 1.00 0.00 C ATOM 806 C GLY A 50 7.766 -17.125 -6.152 1.00 0.00 C ATOM 807 O GLY A 50 8.364 -17.550 -7.147 1.00 0.00 O ATOM 0 H GLY A 50 5.554 -16.242 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.037 -18.204 -5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.829 -17.422 -7.031 1.00 0.00 H new ATOM 811 N VAL A 51 8.385 -16.504 -5.126 1.00 0.00 N ATOM 812 CA VAL A 51 9.842 -16.242 -5.100 1.00 0.00 C ATOM 813 C VAL A 51 10.600 -17.448 -4.514 1.00 0.00 C ATOM 814 O VAL A 51 10.056 -18.194 -3.685 1.00 0.00 O ATOM 815 CB VAL A 51 10.164 -14.931 -4.273 1.00 0.00 C ATOM 816 CG1 VAL A 51 9.685 -15.031 -2.809 1.00 0.00 C ATOM 817 CG2 VAL A 51 11.664 -14.534 -4.333 1.00 0.00 C ATOM 0 H VAL A 51 7.894 -16.171 -4.296 1.00 0.00 H new ATOM 0 HA VAL A 51 10.176 -16.089 -6.126 1.00 0.00 H new ATOM 0 HB VAL A 51 9.599 -14.135 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.928 -14.108 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.606 -15.187 -2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.182 -15.869 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.824 -13.628 -3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.271 -15.342 -3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.951 -14.352 -5.369 1.00 0.00 H new ATOM 827 N GLU A 52 11.842 -17.654 -4.994 1.00 0.00 N ATOM 828 CA GLU A 52 12.792 -18.603 -4.402 1.00 0.00 C ATOM 829 C GLU A 52 13.159 -18.162 -2.976 1.00 0.00 C ATOM 830 O GLU A 52 13.660 -17.051 -2.765 1.00 0.00 O ATOM 831 CB GLU A 52 14.067 -18.706 -5.285 1.00 0.00 C ATOM 832 CG GLU A 52 13.861 -19.477 -6.594 1.00 0.00 C ATOM 833 CD GLU A 52 15.110 -19.522 -7.493 1.00 0.00 C ATOM 834 OE1 GLU A 52 16.106 -20.172 -7.110 1.00 0.00 O ATOM 835 OE2 GLU A 52 15.106 -18.894 -8.576 1.00 0.00 O ATOM 0 H GLU A 52 12.212 -17.162 -5.807 1.00 0.00 H new ATOM 0 HA GLU A 52 12.325 -19.587 -4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.416 -17.700 -5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.856 -19.191 -4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.557 -20.497 -6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.042 -19.020 -7.149 1.00 0.00 H new ATOM 842 N ILE A 53 12.899 -19.048 -2.014 1.00 0.00 N ATOM 843 CA ILE A 53 13.233 -18.837 -0.602 1.00 0.00 C ATOM 844 C ILE A 53 14.781 -18.928 -0.425 1.00 0.00 C ATOM 845 O ILE A 53 15.358 -18.304 0.472 1.00 0.00 O ATOM 846 CB ILE A 53 12.420 -19.877 0.291 1.00 0.00 C ATOM 847 CG1 ILE A 53 12.252 -19.420 1.780 1.00 0.00 C ATOM 848 CG2 ILE A 53 12.992 -21.302 0.201 1.00 0.00 C ATOM 849 CD1 ILE A 53 13.465 -19.523 2.680 1.00 0.00 C ATOM 0 H ILE A 53 12.445 -19.944 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 53 12.938 -17.843 -0.266 1.00 0.00 H new ATOM 0 HB ILE A 53 11.418 -19.900 -0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.921 -18.382 1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.451 -20.010 2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.402 -21.971 0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.953 -21.645 -0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.026 -21.301 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.207 -19.174 3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.793 -20.561 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.270 -18.908 2.278 1.00 0.00 H new ATOM 861 N ASN A 54 15.447 -19.665 -1.348 1.00 0.00 N ATOM 862 CA ASN A 54 16.916 -19.843 -1.340 1.00 0.00 C ATOM 863 C ASN A 54 17.660 -18.544 -1.725 1.00 0.00 C ATOM 864 O ASN A 54 18.716 -18.253 -1.146 1.00 0.00 O ATOM 865 CB ASN A 54 17.345 -21.021 -2.264 1.00 0.00 C ATOM 866 CG ASN A 54 17.000 -20.825 -3.748 1.00 0.00 C ATOM 867 OD1 ASN A 54 15.936 -21.225 -4.201 1.00 0.00 O ATOM 868 ND2 ASN A 54 17.893 -20.211 -4.510 1.00 0.00 N ATOM 0 H ASN A 54 14.981 -20.150 -2.115 1.00 0.00 H new ATOM 0 HA ASN A 54 17.201 -20.090 -0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 54 18.421 -21.166 -2.170 1.00 0.00 H new ATOM 0 HB3 ASN A 54 16.868 -21.935 -1.911 1.00 0.00 H new ATOM 0 HD21 ASN A 54 17.701 -20.061 -5.501 1.00 0.00 H new ATOM 0 HD22 ASN A 54 18.772 -19.888 -4.106 1.00 0.00 H new ATOM 875 N LYS A 55 17.111 -17.758 -2.695 1.00 0.00 N ATOM 876 CA LYS A 55 17.764 -16.492 -3.135 1.00 0.00 C ATOM 877 C LYS A 55 17.577 -15.359 -2.111 1.00 0.00 C ATOM 878 O LYS A 55 18.255 -14.331 -2.211 1.00 0.00 O ATOM 879 CB LYS A 55 17.260 -15.996 -4.516 1.00 0.00 C ATOM 880 CG LYS A 55 15.783 -15.519 -4.559 1.00 0.00 C ATOM 881 CD LYS A 55 15.479 -14.531 -5.718 1.00 0.00 C ATOM 882 CE LYS A 55 16.082 -14.945 -7.073 1.00 0.00 C ATOM 883 NZ LYS A 55 15.691 -16.312 -7.488 1.00 0.00 N ATOM 0 H LYS A 55 16.238 -17.973 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 55 18.822 -16.740 -3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.898 -15.175 -4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.384 -16.802 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.132 -16.388 -4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.538 -15.040 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.399 -14.437 -5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.859 -13.545 -5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.766 -14.235 -7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.169 -14.886 -7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.826 -16.415 -8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.281 -17.008 -6.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.691 -16.474 -7.253 1.00 0.00 H new ATOM 897 N LEU A 56 16.634 -15.540 -1.155 1.00 0.00 N ATOM 898 CA LEU A 56 16.381 -14.545 -0.095 1.00 0.00 C ATOM 899 C LEU A 56 17.580 -14.438 0.857 1.00 0.00 C ATOM 900 O LEU A 56 17.749 -13.427 1.518 1.00 0.00 O ATOM 901 CB LEU A 56 15.100 -14.885 0.702 1.00 0.00 C ATOM 902 CG LEU A 56 13.761 -14.908 -0.103 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.562 -15.195 0.823 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.541 -13.602 -0.887 1.00 0.00 C ATOM 0 H LEU A 56 16.039 -16.366 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 56 16.236 -13.581 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.236 -15.862 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.999 -14.161 1.510 1.00 0.00 H new ATOM 0 HG LEU A 56 13.837 -15.718 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.643 -15.205 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.697 -16.164 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.497 -14.419 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.599 -13.659 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.508 -12.762 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.360 -13.458 -1.591 1.00 0.00 H new ATOM 916 N PHE A 57 18.394 -15.509 0.926 1.00 0.00 N ATOM 917 CA PHE A 57 19.675 -15.499 1.655 1.00 0.00 C ATOM 918 C PHE A 57 20.716 -14.645 0.926 1.00 0.00 C ATOM 919 O PHE A 57 20.654 -14.497 -0.301 1.00 0.00 O ATOM 920 CB PHE A 57 20.215 -16.933 1.827 1.00 0.00 C ATOM 921 CG PHE A 57 19.514 -17.706 2.926 1.00 0.00 C ATOM 922 CD1 PHE A 57 18.324 -18.379 2.682 1.00 0.00 C ATOM 923 CD2 PHE A 57 20.046 -17.735 4.221 1.00 0.00 C ATOM 924 CE1 PHE A 57 17.691 -19.062 3.693 1.00 0.00 C ATOM 925 CE2 PHE A 57 19.407 -18.418 5.230 1.00 0.00 C ATOM 926 CZ PHE A 57 18.232 -19.083 4.966 1.00 0.00 C ATOM 0 H PHE A 57 18.182 -16.401 0.480 1.00 0.00 H new ATOM 0 HA PHE A 57 19.491 -15.065 2.638 1.00 0.00 H new ATOM 0 HB2 PHE A 57 20.105 -17.471 0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 57 21.282 -16.889 2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.893 -18.366 1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 57 20.969 -17.215 4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.767 -19.585 3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.826 -18.432 6.225 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.730 -19.623 5.755 1.00 0.00 H new ATOM 936 N ASN A 58 21.676 -14.110 1.711 1.00 0.00 N ATOM 937 CA ASN A 58 22.830 -13.352 1.206 1.00 0.00 C ATOM 938 C ASN A 58 23.614 -14.225 0.194 1.00 0.00 C ATOM 939 O ASN A 58 24.456 -15.034 0.584 1.00 0.00 O ATOM 940 CB ASN A 58 23.731 -12.911 2.398 1.00 0.00 C ATOM 941 CG ASN A 58 24.920 -12.045 1.971 1.00 0.00 C ATOM 942 OD1 ASN A 58 24.857 -10.817 1.993 1.00 0.00 O ATOM 943 ND2 ASN A 58 26.000 -12.682 1.550 1.00 0.00 N ATOM 0 H ASN A 58 21.666 -14.197 2.727 1.00 0.00 H new ATOM 0 HA ASN A 58 22.492 -12.453 0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 58 23.126 -12.357 3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 58 24.102 -13.798 2.911 1.00 0.00 H new ATOM 0 HD21 ASN A 58 26.812 -12.153 1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 58 26.021 -13.702 1.544 1.00 0.00 H new ATOM 999 N LYS A 63 28.238 -13.807 5.088 1.00 0.00 N ATOM 1000 CA LYS A 63 27.863 -14.716 6.195 1.00 0.00 C ATOM 1001 C LYS A 63 27.377 -16.097 5.698 1.00 0.00 C ATOM 1002 O LYS A 63 27.392 -17.068 6.446 1.00 0.00 O ATOM 1003 CB LYS A 63 26.793 -14.058 7.082 1.00 0.00 C ATOM 1004 CG LYS A 63 27.205 -12.690 7.666 1.00 0.00 C ATOM 1005 CD LYS A 63 26.091 -12.053 8.524 1.00 0.00 C ATOM 1006 CE LYS A 63 24.805 -11.789 7.723 1.00 0.00 C ATOM 1007 NZ LYS A 63 24.997 -10.766 6.660 1.00 0.00 N ATOM 0 HA LYS A 63 28.765 -14.893 6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.882 -13.931 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.553 -14.733 7.903 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.101 -12.813 8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.463 -12.014 6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 63 25.863 -12.710 9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.453 -11.114 8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.465 -12.720 7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.019 -11.460 8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 24.090 -10.587 6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.344 -9.883 7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 25.691 -11.112 5.967 1.00 0.00 H new ATOM 1021 N TYR A 64 26.961 -16.164 4.433 1.00 0.00 N ATOM 1022 CA TYR A 64 26.495 -17.409 3.782 1.00 0.00 C ATOM 1023 C TYR A 64 27.623 -18.474 3.747 1.00 0.00 C ATOM 1024 O TYR A 64 27.354 -19.682 3.754 1.00 0.00 O ATOM 1025 CB TYR A 64 26.012 -17.065 2.353 1.00 0.00 C ATOM 1026 CG TYR A 64 25.148 -18.124 1.655 1.00 0.00 C ATOM 1027 CD1 TYR A 64 23.774 -18.170 1.873 1.00 0.00 C ATOM 1028 CD2 TYR A 64 25.696 -19.052 0.767 1.00 0.00 C ATOM 1029 CE1 TYR A 64 22.981 -19.094 1.228 1.00 0.00 C ATOM 1030 CE2 TYR A 64 24.904 -19.980 0.125 1.00 0.00 C ATOM 1031 CZ TYR A 64 23.544 -19.998 0.360 1.00 0.00 C ATOM 1032 OH TYR A 64 22.744 -20.919 -0.282 1.00 0.00 O ATOM 0 H TYR A 64 26.934 -15.352 3.817 1.00 0.00 H new ATOM 0 HA TYR A 64 25.671 -17.835 4.354 1.00 0.00 H new ATOM 0 HB2 TYR A 64 25.444 -16.136 2.398 1.00 0.00 H new ATOM 0 HB3 TYR A 64 26.888 -16.874 1.732 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.322 -17.470 2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.760 -19.043 0.580 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.916 -19.108 1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.346 -20.690 -0.559 1.00 0.00 H new ATOM 0 HH TYR A 64 23.135 -21.141 -1.153 1.00 0.00 H new ATOM 1042 N ARG A 65 28.883 -17.995 3.732 1.00 0.00 N ATOM 1043 CA ARG A 65 30.091 -18.851 3.704 1.00 0.00 C ATOM 1044 C ARG A 65 30.910 -18.683 4.998 1.00 0.00 C ATOM 1045 O ARG A 65 31.690 -19.574 5.365 1.00 0.00 O ATOM 1046 CB ARG A 65 30.962 -18.513 2.455 1.00 0.00 C ATOM 1047 CG ARG A 65 31.490 -17.040 2.389 1.00 0.00 C ATOM 1048 CD ARG A 65 33.031 -16.921 2.357 1.00 0.00 C ATOM 1049 NE ARG A 65 33.667 -17.554 3.535 1.00 0.00 N ATOM 1050 CZ ARG A 65 34.216 -16.911 4.582 1.00 0.00 C ATOM 1051 NH1 ARG A 65 34.210 -15.591 4.661 1.00 0.00 N ATOM 1052 NH2 ARG A 65 34.742 -17.612 5.570 1.00 0.00 N ATOM 0 H ARG A 65 29.095 -16.997 3.739 1.00 0.00 H new ATOM 0 HA ARG A 65 29.775 -19.892 3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 65 31.816 -19.190 2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 65 30.375 -18.712 1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 65 31.081 -16.559 1.501 1.00 0.00 H new ATOM 0 HG3 ARG A 65 31.112 -16.491 3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 65 33.411 -17.387 1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 65 33.311 -15.868 2.317 1.00 0.00 H new ATOM 0 HE ARG A 65 33.691 -18.574 3.555 1.00 0.00 H new ATOM 0 HH11 ARG A 65 33.783 -15.038 3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 65 34.632 -15.126 5.465 1.00 0.00 H new ATOM 0 HH21 ARG A 65 34.730 -18.631 5.535 1.00 0.00 H new ATOM 0 HH22 ARG A 65 35.161 -17.134 6.368 1.00 0.00 H new ATOM 1066 N GLU A 66 30.724 -17.534 5.676 1.00 0.00 N ATOM 1067 CA GLU A 66 31.433 -17.193 6.931 1.00 0.00 C ATOM 1068 C GLU A 66 30.922 -18.077 8.079 1.00 0.00 C ATOM 1069 O GLU A 66 31.699 -18.617 8.876 1.00 0.00 O ATOM 1070 CB GLU A 66 31.210 -15.692 7.278 1.00 0.00 C ATOM 1071 CG GLU A 66 32.164 -15.115 8.340 1.00 0.00 C ATOM 1072 CD GLU A 66 33.610 -14.940 7.831 1.00 0.00 C ATOM 1073 OE1 GLU A 66 33.917 -13.889 7.228 1.00 0.00 O ATOM 1074 OE2 GLU A 66 34.446 -15.859 8.007 1.00 0.00 O ATOM 0 H GLU A 66 30.074 -16.810 5.369 1.00 0.00 H new ATOM 0 HA GLU A 66 32.500 -17.370 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 66 31.312 -15.106 6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 66 30.185 -15.565 7.626 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.784 -14.149 8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 66 32.169 -15.773 9.209 1.00 0.00 H new ATOM 1081 N LEU A 67 29.588 -18.208 8.131 1.00 0.00 N ATOM 1082 CA LEU A 67 28.877 -19.096 9.072 1.00 0.00 C ATOM 1083 C LEU A 67 28.671 -20.495 8.440 1.00 0.00 C ATOM 1084 O LEU A 67 28.032 -21.360 9.045 1.00 0.00 O ATOM 1085 CB LEU A 67 27.490 -18.494 9.426 1.00 0.00 C ATOM 1086 CG LEU A 67 27.414 -16.951 9.617 1.00 0.00 C ATOM 1087 CD1 LEU A 67 25.953 -16.499 9.821 1.00 0.00 C ATOM 1088 CD2 LEU A 67 28.330 -16.464 10.760 1.00 0.00 C ATOM 0 H LEU A 67 28.961 -17.694 7.513 1.00 0.00 H new ATOM 0 HA LEU A 67 29.479 -19.191 9.976 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.790 -18.772 8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.141 -18.966 10.344 1.00 0.00 H new ATOM 0 HG LEU A 67 27.785 -16.485 8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.922 -15.417 9.953 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.361 -16.776 8.948 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.542 -16.984 10.706 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.245 -15.382 10.858 1.00 0.00 H new ATOM 0 HD22 LEU A 67 28.029 -16.938 11.694 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.363 -16.728 10.536 1.00 0.00 H new ATOM 1100 N ASP A 68 29.201 -20.663 7.206 1.00 0.00 N ATOM 1101 CA ASP A 68 29.064 -21.868 6.345 1.00 0.00 C ATOM 1102 C ASP A 68 27.606 -22.351 6.236 1.00 0.00 C ATOM 1103 O ASP A 68 27.338 -23.550 6.236 1.00 0.00 O ATOM 1104 CB ASP A 68 30.072 -23.019 6.732 1.00 0.00 C ATOM 1105 CG ASP A 68 29.831 -23.736 8.087 1.00 0.00 C ATOM 1106 OD1 ASP A 68 30.343 -23.267 9.126 1.00 0.00 O ATOM 1107 OD2 ASP A 68 29.150 -24.788 8.115 1.00 0.00 O ATOM 0 H ASP A 68 29.760 -19.934 6.762 1.00 0.00 H new ATOM 0 HA ASP A 68 29.352 -21.558 5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 68 30.049 -23.770 5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 68 31.078 -22.599 6.744 1.00 0.00 H new ATOM 1112 N LEU A 69 26.671 -21.382 6.050 1.00 0.00 N ATOM 1113 CA LEU A 69 25.216 -21.656 6.018 1.00 0.00 C ATOM 1114 C LEU A 69 24.842 -22.698 4.951 1.00 0.00 C ATOM 1115 O LEU A 69 23.948 -23.489 5.175 1.00 0.00 O ATOM 1116 CB LEU A 69 24.383 -20.372 5.778 1.00 0.00 C ATOM 1117 CG LEU A 69 24.429 -19.287 6.894 1.00 0.00 C ATOM 1118 CD1 LEU A 69 23.477 -18.127 6.550 1.00 0.00 C ATOM 1119 CD2 LEU A 69 24.088 -19.884 8.281 1.00 0.00 C ATOM 0 H LEU A 69 26.906 -20.398 5.919 1.00 0.00 H new ATOM 0 HA LEU A 69 24.976 -22.056 7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 69 24.721 -19.917 4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 69 23.343 -20.664 5.631 1.00 0.00 H new ATOM 0 HG LEU A 69 25.447 -18.901 6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.519 -17.376 7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.778 -17.677 5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.459 -18.506 6.464 1.00 0.00 H new ATOM 0 HD21 LEU A 69 24.130 -19.098 9.035 1.00 0.00 H new ATOM 0 HD22 LEU A 69 23.085 -20.311 8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.808 -20.664 8.529 1.00 0.00 H new ATOM 1131 N LYS A 70 25.546 -22.705 3.804 1.00 0.00 N ATOM 1132 CA LYS A 70 25.259 -23.636 2.683 1.00 0.00 C ATOM 1133 C LYS A 70 25.266 -25.122 3.159 1.00 0.00 C ATOM 1134 O LYS A 70 24.447 -25.941 2.706 1.00 0.00 O ATOM 1135 CB LYS A 70 26.290 -23.427 1.546 1.00 0.00 C ATOM 1136 CG LYS A 70 25.951 -24.143 0.215 1.00 0.00 C ATOM 1137 CD LYS A 70 24.660 -23.598 -0.444 1.00 0.00 C ATOM 1138 CE LYS A 70 24.373 -24.218 -1.820 1.00 0.00 C ATOM 1139 NZ LYS A 70 24.096 -25.676 -1.741 1.00 0.00 N ATOM 0 H LYS A 70 26.326 -22.073 3.623 1.00 0.00 H new ATOM 0 HA LYS A 70 24.260 -23.416 2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 70 26.383 -22.358 1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.264 -23.775 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 70 26.785 -24.027 -0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 70 25.837 -25.211 0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.814 -23.789 0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 70 24.743 -22.516 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.519 -23.713 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.227 -24.049 -2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 23.909 -26.046 -2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 24.920 -26.164 -1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.265 -25.839 -1.137 1.00 0.00 H new ATOM 1153 N ASN A 71 26.168 -25.410 4.129 1.00 0.00 N ATOM 1154 CA ASN A 71 26.324 -26.740 4.764 1.00 0.00 C ATOM 1155 C ASN A 71 25.022 -27.198 5.447 1.00 0.00 C ATOM 1156 O ASN A 71 24.641 -28.372 5.351 1.00 0.00 O ATOM 1157 CB ASN A 71 27.470 -26.688 5.806 1.00 0.00 C ATOM 1158 CG ASN A 71 27.799 -28.038 6.460 1.00 0.00 C ATOM 1159 OD1 ASN A 71 28.642 -28.786 5.969 1.00 0.00 O ATOM 1160 ND2 ASN A 71 27.140 -28.360 7.569 1.00 0.00 N ATOM 0 H ASN A 71 26.817 -24.714 4.497 1.00 0.00 H new ATOM 0 HA ASN A 71 26.564 -27.461 3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 71 28.368 -26.305 5.321 1.00 0.00 H new ATOM 0 HB3 ASN A 71 27.202 -25.976 6.587 1.00 0.00 H new ATOM 0 HD21 ASN A 71 27.329 -29.248 8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 71 26.446 -27.719 7.954 1.00 0.00 H new ATOM 1167 N LYS A 72 24.358 -26.268 6.158 1.00 0.00 N ATOM 1168 CA LYS A 72 23.101 -26.569 6.864 1.00 0.00 C ATOM 1169 C LYS A 72 21.906 -26.513 5.885 1.00 0.00 C ATOM 1170 O LYS A 72 21.031 -27.364 5.948 1.00 0.00 O ATOM 1171 CB LYS A 72 22.910 -25.628 8.096 1.00 0.00 C ATOM 1172 CG LYS A 72 22.530 -24.172 7.801 1.00 0.00 C ATOM 1173 CD LYS A 72 22.526 -23.265 9.055 1.00 0.00 C ATOM 1174 CE LYS A 72 21.361 -23.516 10.031 1.00 0.00 C ATOM 1175 NZ LYS A 72 21.444 -24.828 10.735 1.00 0.00 N ATOM 0 H LYS A 72 24.672 -25.303 6.258 1.00 0.00 H new ATOM 0 HA LYS A 72 23.151 -27.585 7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.139 -26.058 8.735 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.836 -25.628 8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.229 -23.764 7.070 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.541 -24.149 7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.466 -23.404 9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.494 -22.224 8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 72 21.340 -22.716 10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 72 20.421 -23.467 9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.107 -24.719 11.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.852 -25.525 10.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 22.431 -25.156 10.743 1.00 0.00 H new ATOM 1189 N LEU A 73 21.925 -25.556 4.929 1.00 0.00 N ATOM 1190 CA LEU A 73 20.769 -25.269 4.035 1.00 0.00 C ATOM 1191 C LEU A 73 20.475 -26.427 3.069 1.00 0.00 C ATOM 1192 O LEU A 73 19.314 -26.661 2.707 1.00 0.00 O ATOM 1193 CB LEU A 73 20.987 -23.945 3.248 1.00 0.00 C ATOM 1194 CG LEU A 73 21.136 -22.655 4.119 1.00 0.00 C ATOM 1195 CD1 LEU A 73 21.247 -21.382 3.254 1.00 0.00 C ATOM 1196 CD2 LEU A 73 20.001 -22.537 5.147 1.00 0.00 C ATOM 0 H LEU A 73 22.735 -24.962 4.753 1.00 0.00 H new ATOM 0 HA LEU A 73 19.896 -25.154 4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.881 -24.052 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 73 20.147 -23.806 2.567 1.00 0.00 H new ATOM 0 HG LEU A 73 22.072 -22.749 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.349 -20.510 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 73 22.120 -21.457 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.350 -21.278 2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.136 -21.629 5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.043 -22.494 4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.017 -23.403 5.808 1.00 0.00 H new ATOM 1208 N GLN A 74 21.537 -27.151 2.676 1.00 0.00 N ATOM 1209 CA GLN A 74 21.424 -28.319 1.779 1.00 0.00 C ATOM 1210 C GLN A 74 20.712 -29.521 2.452 1.00 0.00 C ATOM 1211 O GLN A 74 20.275 -30.440 1.748 1.00 0.00 O ATOM 1212 CB GLN A 74 22.830 -28.739 1.268 1.00 0.00 C ATOM 1213 CG GLN A 74 23.801 -29.186 2.376 1.00 0.00 C ATOM 1214 CD GLN A 74 25.167 -29.639 1.860 1.00 0.00 C ATOM 1215 OE1 GLN A 74 26.088 -28.834 1.710 1.00 0.00 O ATOM 1216 NE2 GLN A 74 25.311 -30.930 1.584 1.00 0.00 N ATOM 0 H GLN A 74 22.493 -26.947 2.968 1.00 0.00 H new ATOM 0 HA GLN A 74 20.805 -28.017 0.934 1.00 0.00 H new ATOM 0 HB2 GLN A 74 22.715 -29.553 0.552 1.00 0.00 H new ATOM 0 HB3 GLN A 74 23.273 -27.901 0.730 1.00 0.00 H new ATOM 0 HG2 GLN A 74 23.943 -28.362 3.075 1.00 0.00 H new ATOM 0 HG3 GLN A 74 23.346 -30.003 2.936 1.00 0.00 H new ATOM 0 HE21 GLN A 74 24.529 -31.571 1.719 1.00 0.00 H new ATOM 0 HE22 GLN A 74 26.204 -31.281 1.237 1.00 0.00 H new ATOM 1225 N THR A 75 20.577 -29.514 3.806 1.00 0.00 N ATOM 1226 CA THR A 75 20.031 -30.677 4.552 1.00 0.00 C ATOM 1227 C THR A 75 18.773 -30.340 5.397 1.00 0.00 C ATOM 1228 O THR A 75 17.929 -31.223 5.600 1.00 0.00 O ATOM 1229 CB THR A 75 21.138 -31.358 5.442 1.00 0.00 C ATOM 1230 OG1 THR A 75 20.647 -32.590 6.018 1.00 0.00 O ATOM 1231 CG2 THR A 75 21.650 -30.441 6.569 1.00 0.00 C ATOM 0 H THR A 75 20.836 -28.724 4.396 1.00 0.00 H new ATOM 0 HA THR A 75 19.706 -31.387 3.792 1.00 0.00 H new ATOM 0 HB THR A 75 21.975 -31.565 4.776 1.00 0.00 H new ATOM 0 HG1 THR A 75 21.350 -32.998 6.566 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.410 -30.965 7.148 1.00 0.00 H new ATOM 0 HG22 THR A 75 22.082 -29.539 6.136 1.00 0.00 H new ATOM 0 HG23 THR A 75 20.821 -30.169 7.222 1.00 0.00 H new ATOM 1239 N LEU A 76 18.620 -29.080 5.890 1.00 0.00 N ATOM 1240 CA LEU A 76 17.454 -28.708 6.751 1.00 0.00 C ATOM 1241 C LEU A 76 16.171 -28.449 5.923 1.00 0.00 C ATOM 1242 O LEU A 76 16.170 -28.597 4.698 1.00 0.00 O ATOM 1243 CB LEU A 76 17.787 -27.520 7.731 1.00 0.00 C ATOM 1244 CG LEU A 76 18.436 -26.200 7.174 1.00 0.00 C ATOM 1245 CD1 LEU A 76 17.605 -25.507 6.092 1.00 0.00 C ATOM 1246 CD2 LEU A 76 18.741 -25.214 8.322 1.00 0.00 C ATOM 0 H LEU A 76 19.273 -28.317 5.713 1.00 0.00 H new ATOM 0 HA LEU A 76 17.245 -29.574 7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.858 -27.240 8.228 1.00 0.00 H new ATOM 0 HB3 LEU A 76 18.455 -27.911 8.499 1.00 0.00 H new ATOM 0 HG LEU A 76 19.365 -26.509 6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 76 18.120 -24.605 5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 76 17.473 -26.182 5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.630 -25.239 6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.189 -24.308 7.914 1.00 0.00 H new ATOM 0 HD22 LEU A 76 17.816 -24.960 8.839 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.434 -25.677 9.025 1.00 0.00 H new ATOM 1258 N SER A 77 15.085 -28.064 6.622 1.00 0.00 N ATOM 1259 CA SER A 77 13.777 -27.759 6.012 1.00 0.00 C ATOM 1260 C SER A 77 13.740 -26.319 5.447 1.00 0.00 C ATOM 1261 O SER A 77 14.470 -25.441 5.918 1.00 0.00 O ATOM 1262 CB SER A 77 12.669 -27.926 7.085 1.00 0.00 C ATOM 1263 OG SER A 77 12.723 -29.201 7.691 1.00 0.00 O ATOM 0 H SER A 77 15.092 -27.955 7.636 1.00 0.00 H new ATOM 0 HA SER A 77 13.611 -28.448 5.184 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.780 -27.155 7.847 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.691 -27.782 6.625 1.00 0.00 H new ATOM 0 HG SER A 77 13.394 -29.195 8.406 1.00 0.00 H new ATOM 1269 N ASP A 78 12.858 -26.082 4.457 1.00 0.00 N ATOM 1270 CA ASP A 78 12.598 -24.733 3.907 1.00 0.00 C ATOM 1271 C ASP A 78 12.051 -23.797 4.996 1.00 0.00 C ATOM 1272 O ASP A 78 12.266 -22.583 4.939 1.00 0.00 O ATOM 1273 CB ASP A 78 11.610 -24.815 2.721 1.00 0.00 C ATOM 1274 CG ASP A 78 12.183 -25.589 1.523 1.00 0.00 C ATOM 1275 OD1 ASP A 78 12.104 -26.839 1.511 1.00 0.00 O ATOM 1276 OD2 ASP A 78 12.749 -24.957 0.605 1.00 0.00 O ATOM 0 H ASP A 78 12.306 -26.817 4.015 1.00 0.00 H new ATOM 0 HA ASP A 78 13.542 -24.324 3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.690 -25.296 3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.345 -23.806 2.404 1.00 0.00 H new ATOM 1281 N ASP A 79 11.367 -24.385 5.998 1.00 0.00 N ATOM 1282 CA ASP A 79 10.847 -23.640 7.156 1.00 0.00 C ATOM 1283 C ASP A 79 11.993 -23.152 8.054 1.00 0.00 C ATOM 1284 O ASP A 79 11.923 -22.070 8.630 1.00 0.00 O ATOM 1285 CB ASP A 79 9.861 -24.498 7.979 1.00 0.00 C ATOM 1286 CG ASP A 79 9.097 -23.658 9.022 1.00 0.00 C ATOM 1287 OD1 ASP A 79 8.089 -23.023 8.649 1.00 0.00 O ATOM 1288 OD2 ASP A 79 9.501 -23.606 10.207 1.00 0.00 O ATOM 0 H ASP A 79 11.162 -25.384 6.025 1.00 0.00 H new ATOM 0 HA ASP A 79 10.310 -22.773 6.771 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.149 -24.977 7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.408 -25.294 8.484 1.00 0.00 H new ATOM 1293 N GLU A 80 13.054 -23.968 8.154 1.00 0.00 N ATOM 1294 CA GLU A 80 14.254 -23.633 8.939 1.00 0.00 C ATOM 1295 C GLU A 80 15.068 -22.528 8.241 1.00 0.00 C ATOM 1296 O GLU A 80 15.723 -21.707 8.904 1.00 0.00 O ATOM 1297 CB GLU A 80 15.082 -24.911 9.207 1.00 0.00 C ATOM 1298 CG GLU A 80 14.309 -25.983 10.007 1.00 0.00 C ATOM 1299 CD GLU A 80 15.153 -27.219 10.345 1.00 0.00 C ATOM 1300 OE1 GLU A 80 15.965 -27.155 11.291 1.00 0.00 O ATOM 1301 OE2 GLU A 80 15.018 -28.255 9.662 1.00 0.00 O ATOM 0 H GLU A 80 13.105 -24.877 7.694 1.00 0.00 H new ATOM 0 HA GLU A 80 13.957 -23.232 9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.399 -25.336 8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.986 -24.642 9.753 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.941 -25.540 10.932 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.436 -26.294 9.433 1.00 0.00 H new ATOM 1308 N LYS A 81 14.980 -22.481 6.899 1.00 0.00 N ATOM 1309 CA LYS A 81 15.532 -21.369 6.108 1.00 0.00 C ATOM 1310 C LYS A 81 14.755 -20.063 6.408 1.00 0.00 C ATOM 1311 O LYS A 81 15.358 -18.994 6.582 1.00 0.00 O ATOM 1312 CB LYS A 81 15.507 -21.691 4.587 1.00 0.00 C ATOM 1313 CG LYS A 81 16.403 -22.881 4.152 1.00 0.00 C ATOM 1314 CD LYS A 81 17.048 -22.708 2.748 1.00 0.00 C ATOM 1315 CE LYS A 81 16.024 -22.620 1.614 1.00 0.00 C ATOM 1316 NZ LYS A 81 15.234 -23.870 1.470 1.00 0.00 N ATOM 0 H LYS A 81 14.529 -23.205 6.339 1.00 0.00 H new ATOM 0 HA LYS A 81 16.574 -21.230 6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.479 -21.904 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.818 -20.802 4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.194 -23.015 4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 81 15.805 -23.793 4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 81 17.659 -21.806 2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 81 17.718 -23.547 2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.348 -21.785 1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.540 -22.409 0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.379 -24.265 0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.545 -24.561 2.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.225 -23.661 1.608 1.00 0.00 H new ATOM 1330 N LEU A 82 13.415 -20.186 6.500 1.00 0.00 N ATOM 1331 CA LEU A 82 12.512 -19.075 6.892 1.00 0.00 C ATOM 1332 C LEU A 82 12.876 -18.538 8.298 1.00 0.00 C ATOM 1333 O LEU A 82 12.877 -17.318 8.521 1.00 0.00 O ATOM 1334 CB LEU A 82 11.035 -19.561 6.873 1.00 0.00 C ATOM 1335 CG LEU A 82 10.438 -19.891 5.467 1.00 0.00 C ATOM 1336 CD1 LEU A 82 9.115 -20.681 5.566 1.00 0.00 C ATOM 1337 CD2 LEU A 82 10.229 -18.603 4.665 1.00 0.00 C ATOM 0 H LEU A 82 12.924 -21.059 6.305 1.00 0.00 H new ATOM 0 HA LEU A 82 12.633 -18.264 6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.959 -20.452 7.496 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.415 -18.794 7.337 1.00 0.00 H new ATOM 0 HG LEU A 82 11.157 -20.526 4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.738 -20.887 4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.291 -21.622 6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.380 -20.093 6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.813 -18.847 3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.540 -17.949 5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.185 -18.096 4.536 1.00 0.00 H new ATOM 1349 N GLU A 83 13.197 -19.475 9.223 1.00 0.00 N ATOM 1350 CA GLU A 83 13.612 -19.144 10.602 1.00 0.00 C ATOM 1351 C GLU A 83 14.871 -18.266 10.599 1.00 0.00 C ATOM 1352 O GLU A 83 14.924 -17.254 11.295 1.00 0.00 O ATOM 1353 CB GLU A 83 13.893 -20.421 11.444 1.00 0.00 C ATOM 1354 CG GLU A 83 12.691 -21.355 11.668 1.00 0.00 C ATOM 1355 CD GLU A 83 13.009 -22.512 12.634 1.00 0.00 C ATOM 1356 OE1 GLU A 83 13.759 -23.425 12.250 1.00 0.00 O ATOM 1357 OE2 GLU A 83 12.542 -22.494 13.794 1.00 0.00 O ATOM 0 H GLU A 83 13.175 -20.477 9.032 1.00 0.00 H new ATOM 0 HA GLU A 83 12.783 -18.600 11.055 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.684 -20.989 10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.277 -20.114 12.417 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.855 -20.777 12.063 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.371 -21.765 10.710 1.00 0.00 H new ATOM 1364 N LEU A 84 15.876 -18.682 9.806 1.00 0.00 N ATOM 1365 CA LEU A 84 17.162 -17.961 9.671 1.00 0.00 C ATOM 1366 C LEU A 84 16.963 -16.519 9.173 1.00 0.00 C ATOM 1367 O LEU A 84 17.520 -15.566 9.744 1.00 0.00 O ATOM 1368 CB LEU A 84 18.089 -18.739 8.712 1.00 0.00 C ATOM 1369 CG LEU A 84 18.597 -20.111 9.252 1.00 0.00 C ATOM 1370 CD1 LEU A 84 19.253 -20.949 8.147 1.00 0.00 C ATOM 1371 CD2 LEU A 84 19.563 -19.907 10.438 1.00 0.00 C ATOM 0 H LEU A 84 15.822 -19.528 9.239 1.00 0.00 H new ATOM 0 HA LEU A 84 17.622 -17.899 10.657 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.557 -18.909 7.776 1.00 0.00 H new ATOM 0 HB3 LEU A 84 18.952 -18.115 8.480 1.00 0.00 H new ATOM 0 HG LEU A 84 17.729 -20.666 9.607 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.594 -21.897 8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.528 -21.140 7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.104 -20.406 7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.905 -20.877 10.799 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.420 -19.318 10.112 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.047 -19.382 11.242 1.00 0.00 H new ATOM 1383 N LEU A 85 16.144 -16.377 8.122 1.00 0.00 N ATOM 1384 CA LEU A 85 15.822 -15.064 7.534 1.00 0.00 C ATOM 1385 C LEU A 85 15.125 -14.140 8.566 1.00 0.00 C ATOM 1386 O LEU A 85 15.356 -12.931 8.591 1.00 0.00 O ATOM 1387 CB LEU A 85 14.914 -15.248 6.295 1.00 0.00 C ATOM 1388 CG LEU A 85 15.528 -16.049 5.105 1.00 0.00 C ATOM 1389 CD1 LEU A 85 14.472 -16.304 4.012 1.00 0.00 C ATOM 1390 CD2 LEU A 85 16.777 -15.339 4.523 1.00 0.00 C ATOM 0 H LEU A 85 15.688 -17.161 7.656 1.00 0.00 H new ATOM 0 HA LEU A 85 16.757 -14.591 7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.000 -15.751 6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.626 -14.262 5.932 1.00 0.00 H new ATOM 0 HG LEU A 85 15.855 -17.015 5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.924 -16.864 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.646 -16.878 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.099 -15.351 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.177 -15.926 3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 85 16.498 -14.349 4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.536 -15.242 5.300 1.00 0.00 H new ATOM 1402 N SER A 86 14.270 -14.737 9.417 1.00 0.00 N ATOM 1403 CA SER A 86 13.557 -14.013 10.483 1.00 0.00 C ATOM 1404 C SER A 86 14.488 -13.687 11.670 1.00 0.00 C ATOM 1405 O SER A 86 14.287 -12.679 12.360 1.00 0.00 O ATOM 1406 CB SER A 86 12.359 -14.848 10.950 1.00 0.00 C ATOM 1407 OG SER A 86 11.488 -15.121 9.871 1.00 0.00 O ATOM 0 H SER A 86 14.055 -15.734 9.384 1.00 0.00 H new ATOM 0 HA SER A 86 13.205 -13.063 10.080 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.710 -15.783 11.386 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.820 -14.314 11.732 1.00 0.00 H new ATOM 0 HG SER A 86 11.854 -15.854 9.333 1.00 0.00 H new ATOM 1413 N SER A 87 15.507 -14.544 11.892 1.00 0.00 N ATOM 1414 CA SER A 87 16.478 -14.382 12.991 1.00 0.00 C ATOM 1415 C SER A 87 17.372 -13.168 12.743 1.00 0.00 C ATOM 1416 O SER A 87 17.701 -12.419 13.675 1.00 0.00 O ATOM 1417 CB SER A 87 17.339 -15.652 13.153 1.00 0.00 C ATOM 1418 OG SER A 87 16.532 -16.774 13.476 1.00 0.00 O ATOM 0 H SER A 87 15.678 -15.367 11.314 1.00 0.00 H new ATOM 0 HA SER A 87 15.920 -14.223 13.914 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.885 -15.846 12.230 1.00 0.00 H new ATOM 0 HB3 SER A 87 18.081 -15.496 13.936 1.00 0.00 H new ATOM 0 HG SER A 87 15.929 -16.969 12.729 1.00 0.00 H new ATOM 1424 N ASP A 88 17.767 -12.986 11.468 1.00 0.00 N ATOM 1425 CA ASP A 88 18.619 -11.868 11.041 1.00 0.00 C ATOM 1426 C ASP A 88 18.148 -11.331 9.683 1.00 0.00 C ATOM 1427 O ASP A 88 18.095 -12.077 8.702 1.00 0.00 O ATOM 1428 CB ASP A 88 20.110 -12.306 10.950 1.00 0.00 C ATOM 1429 CG ASP A 88 20.762 -12.583 12.318 1.00 0.00 C ATOM 1430 OD1 ASP A 88 21.276 -11.628 12.948 1.00 0.00 O ATOM 1431 OD2 ASP A 88 20.782 -13.753 12.758 1.00 0.00 O ATOM 0 H ASP A 88 17.502 -13.612 10.708 1.00 0.00 H new ATOM 0 HA ASP A 88 18.538 -11.077 11.787 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.178 -13.205 10.337 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.677 -11.528 10.439 1.00 0.00 H new ATOM 1436 N GLY A 89 17.833 -10.021 9.637 1.00 0.00 N ATOM 1437 CA GLY A 89 17.561 -9.320 8.380 1.00 0.00 C ATOM 1438 C GLY A 89 18.818 -9.120 7.542 1.00 0.00 C ATOM 1439 O GLY A 89 18.740 -8.791 6.361 1.00 0.00 O ATOM 0 H GLY A 89 17.762 -9.430 10.465 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.829 -9.885 7.803 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.115 -8.350 8.598 1.00 0.00 H new ATOM 1443 N MET A 90 19.987 -9.304 8.181 1.00 0.00 N ATOM 1444 CA MET A 90 21.287 -9.316 7.500 1.00 0.00 C ATOM 1445 C MET A 90 21.497 -10.637 6.735 1.00 0.00 C ATOM 1446 O MET A 90 22.254 -10.671 5.755 1.00 0.00 O ATOM 1447 CB MET A 90 22.425 -9.082 8.523 1.00 0.00 C ATOM 1448 CG MET A 90 22.451 -7.695 9.202 1.00 0.00 C ATOM 1449 SD MET A 90 22.923 -6.333 8.095 1.00 0.00 S ATOM 1450 CE MET A 90 21.386 -5.857 7.300 1.00 0.00 C ATOM 0 H MET A 90 20.053 -9.449 9.188 1.00 0.00 H new ATOM 0 HA MET A 90 21.304 -8.506 6.771 1.00 0.00 H new ATOM 0 HB2 MET A 90 22.351 -9.843 9.300 1.00 0.00 H new ATOM 0 HB3 MET A 90 23.378 -9.235 8.017 1.00 0.00 H new ATOM 0 HG2 MET A 90 21.464 -7.487 9.616 1.00 0.00 H new ATOM 0 HG3 MET A 90 23.148 -7.726 10.040 1.00 0.00 H new ATOM 0 HE1 MET A 90 21.551 -5.742 6.229 1.00 0.00 H new ATOM 0 HE2 MET A 90 20.634 -6.627 7.471 1.00 0.00 H new ATOM 0 HE3 MET A 90 21.038 -4.912 7.717 1.00 0.00 H new ATOM 1460 N LEU A 91 20.851 -11.735 7.205 1.00 0.00 N ATOM 1461 CA LEU A 91 20.832 -13.020 6.475 1.00 0.00 C ATOM 1462 C LEU A 91 19.987 -12.900 5.207 1.00 0.00 C ATOM 1463 O LEU A 91 20.246 -13.593 4.216 1.00 0.00 O ATOM 1464 CB LEU A 91 20.316 -14.185 7.373 1.00 0.00 C ATOM 1465 CG LEU A 91 21.294 -14.662 8.496 1.00 0.00 C ATOM 1466 CD1 LEU A 91 20.724 -15.865 9.277 1.00 0.00 C ATOM 1467 CD2 LEU A 91 22.678 -14.984 7.914 1.00 0.00 C ATOM 0 H LEU A 91 20.338 -11.752 8.086 1.00 0.00 H new ATOM 0 HA LEU A 91 21.858 -13.256 6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 91 19.382 -13.873 7.839 1.00 0.00 H new ATOM 0 HB3 LEU A 91 20.084 -15.037 6.733 1.00 0.00 H new ATOM 0 HG LEU A 91 21.406 -13.842 9.205 1.00 0.00 H new ATOM 0 HD11 LEU A 91 21.433 -16.167 10.048 1.00 0.00 H new ATOM 0 HD12 LEU A 91 19.780 -15.582 9.742 1.00 0.00 H new ATOM 0 HD13 LEU A 91 20.556 -16.697 8.593 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.341 -15.314 8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.585 -15.775 7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.092 -14.092 7.444 1.00 0.00 H new ATOM 1479 N VAL A 92 18.983 -12.006 5.252 1.00 0.00 N ATOM 1480 CA VAL A 92 18.163 -11.679 4.081 1.00 0.00 C ATOM 1481 C VAL A 92 18.939 -10.700 3.178 1.00 0.00 C ATOM 1482 O VAL A 92 19.824 -9.959 3.650 1.00 0.00 O ATOM 1483 CB VAL A 92 16.762 -11.044 4.458 1.00 0.00 C ATOM 1484 CG1 VAL A 92 15.771 -11.100 3.262 1.00 0.00 C ATOM 1485 CG2 VAL A 92 16.151 -11.709 5.704 1.00 0.00 C ATOM 0 H VAL A 92 18.722 -11.496 6.096 1.00 0.00 H new ATOM 0 HA VAL A 92 17.958 -12.615 3.562 1.00 0.00 H new ATOM 0 HB VAL A 92 16.943 -9.996 4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.820 -10.656 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.185 -10.546 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.612 -12.138 2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.191 -11.245 5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.005 -12.772 5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.824 -11.581 6.552 1.00 0.00 H new ATOM 1495 N LYS A 93 18.628 -10.732 1.879 1.00 0.00 N ATOM 1496 CA LYS A 93 19.144 -9.766 0.912 1.00 0.00 C ATOM 1497 C LYS A 93 18.631 -8.370 1.282 1.00 0.00 C ATOM 1498 O LYS A 93 17.412 -8.142 1.285 1.00 0.00 O ATOM 1499 CB LYS A 93 18.691 -10.155 -0.515 1.00 0.00 C ATOM 1500 CG LYS A 93 19.239 -11.516 -0.997 1.00 0.00 C ATOM 1501 CD LYS A 93 20.724 -11.456 -1.457 1.00 0.00 C ATOM 1502 CE LYS A 93 20.870 -11.092 -2.946 1.00 0.00 C ATOM 1503 NZ LYS A 93 20.293 -12.149 -3.817 1.00 0.00 N ATOM 0 H LYS A 93 18.009 -11.432 1.470 1.00 0.00 H new ATOM 0 HA LYS A 93 20.234 -9.764 0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.602 -10.182 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.010 -9.379 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.145 -12.243 -0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.625 -11.875 -1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.258 -10.722 -0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.196 -12.422 -1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.371 -10.143 -3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 93 21.924 -10.953 -3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 20.713 -12.084 -4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.498 -13.084 -3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.263 -12.019 -3.885 1.00 0.00 H new ATOM 1517 N ARG A 94 19.571 -7.472 1.640 1.00 0.00 N ATOM 1518 CA ARG A 94 19.267 -6.069 1.968 1.00 0.00 C ATOM 1519 C ARG A 94 18.430 -5.395 0.852 1.00 0.00 C ATOM 1520 O ARG A 94 17.391 -4.829 1.170 1.00 0.00 O ATOM 1521 CB ARG A 94 20.560 -5.262 2.268 1.00 0.00 C ATOM 1522 CG ARG A 94 21.443 -5.849 3.396 1.00 0.00 C ATOM 1523 CD ARG A 94 22.756 -5.069 3.589 1.00 0.00 C ATOM 1524 NE ARG A 94 23.604 -5.096 2.375 1.00 0.00 N ATOM 1525 CZ ARG A 94 24.887 -4.714 2.312 1.00 0.00 C ATOM 1526 NH1 ARG A 94 25.529 -4.294 3.393 1.00 0.00 N ATOM 1527 NH2 ARG A 94 25.537 -4.769 1.160 1.00 0.00 N ATOM 0 H ARG A 94 20.562 -7.702 1.709 1.00 0.00 H new ATOM 0 HA ARG A 94 18.664 -6.071 2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 94 21.153 -5.201 1.356 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.282 -4.243 2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.882 -5.845 4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 94 21.673 -6.890 3.167 1.00 0.00 H new ATOM 0 HD2 ARG A 94 22.528 -4.035 3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 94 23.309 -5.493 4.427 1.00 0.00 H new ATOM 0 HE ARG A 94 23.175 -5.434 1.514 1.00 0.00 H new ATOM 0 HH11 ARG A 94 25.046 -4.258 4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 94 26.506 -4.007 3.327 1.00 0.00 H new ATOM 0 HH21 ARG A 94 25.061 -5.102 0.321 1.00 0.00 H new ATOM 0 HH22 ARG A 94 26.514 -4.478 1.111 1.00 0.00 H new ATOM 1541 N PRO A 95 18.822 -5.476 -0.480 1.00 0.00 N ATOM 1542 CA PRO A 95 17.947 -5.009 -1.564 1.00 0.00 C ATOM 1543 C PRO A 95 16.821 -6.027 -1.824 1.00 0.00 C ATOM 1544 O PRO A 95 17.041 -7.073 -2.445 1.00 0.00 O ATOM 1545 CB PRO A 95 18.899 -4.860 -2.791 1.00 0.00 C ATOM 1546 CG PRO A 95 20.280 -5.126 -2.259 1.00 0.00 C ATOM 1547 CD PRO A 95 20.085 -6.010 -1.053 1.00 0.00 C ATOM 0 HA PRO A 95 17.443 -4.071 -1.333 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.638 -5.567 -3.579 1.00 0.00 H new ATOM 0 HB3 PRO A 95 18.830 -3.862 -3.223 1.00 0.00 H new ATOM 0 HG2 PRO A 95 20.901 -5.616 -3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.781 -4.197 -1.987 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.996 -7.061 -1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.916 -5.933 -0.352 1.00 0.00 H new ATOM 1555 N LEU A 96 15.642 -5.744 -1.267 1.00 0.00 N ATOM 1556 CA LEU A 96 14.419 -6.514 -1.516 1.00 0.00 C ATOM 1557 C LEU A 96 13.266 -5.517 -1.647 1.00 0.00 C ATOM 1558 O LEU A 96 13.276 -4.460 -1.026 1.00 0.00 O ATOM 1559 CB LEU A 96 14.190 -7.583 -0.384 1.00 0.00 C ATOM 1560 CG LEU A 96 12.862 -8.447 -0.450 1.00 0.00 C ATOM 1561 CD1 LEU A 96 13.063 -9.878 0.116 1.00 0.00 C ATOM 1562 CD2 LEU A 96 11.677 -7.776 0.277 1.00 0.00 C ATOM 0 H LEU A 96 15.507 -4.965 -0.623 1.00 0.00 H new ATOM 0 HA LEU A 96 14.494 -7.086 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 96 15.038 -8.268 -0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.207 -7.066 0.575 1.00 0.00 H new ATOM 0 HG LEU A 96 12.621 -8.516 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.126 -10.431 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.830 -10.393 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.374 -9.816 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.795 -8.412 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.929 -7.632 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.469 -6.809 -0.182 1.00 0.00 H new ATOM 1574 N ALA A 97 12.305 -5.845 -2.495 1.00 0.00 N ATOM 1575 CA ALA A 97 11.104 -5.045 -2.706 1.00 0.00 C ATOM 1576 C ALA A 97 9.945 -6.014 -2.915 1.00 0.00 C ATOM 1577 O ALA A 97 9.932 -6.724 -3.902 1.00 0.00 O ATOM 1578 CB ALA A 97 11.308 -4.114 -3.915 1.00 0.00 C ATOM 0 H ALA A 97 12.336 -6.689 -3.067 1.00 0.00 H new ATOM 0 HA ALA A 97 10.888 -4.407 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.409 -3.517 -4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.154 -3.453 -3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.505 -4.711 -4.805 1.00 0.00 H new ATOM 1584 N VAL A 98 9.015 -6.094 -1.962 1.00 0.00 N ATOM 1585 CA VAL A 98 7.888 -7.052 -2.023 1.00 0.00 C ATOM 1586 C VAL A 98 6.548 -6.305 -1.999 1.00 0.00 C ATOM 1587 O VAL A 98 6.460 -5.187 -1.512 1.00 0.00 O ATOM 1588 CB VAL A 98 7.971 -8.116 -0.851 1.00 0.00 C ATOM 1589 CG1 VAL A 98 7.819 -7.467 0.548 1.00 0.00 C ATOM 1590 CG2 VAL A 98 6.960 -9.278 -1.048 1.00 0.00 C ATOM 0 H VAL A 98 9.013 -5.506 -1.129 1.00 0.00 H new ATOM 0 HA VAL A 98 7.959 -7.599 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 98 8.973 -8.543 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.883 -8.238 1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.615 -6.738 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.852 -6.968 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.051 -9.984 -0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.946 -8.878 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.172 -9.789 -1.987 1.00 0.00 H new ATOM 1600 N MET A 99 5.521 -6.935 -2.559 1.00 0.00 N ATOM 1601 CA MET A 99 4.144 -6.427 -2.568 1.00 0.00 C ATOM 1602 C MET A 99 3.200 -7.640 -2.351 1.00 0.00 C ATOM 1603 O MET A 99 3.663 -8.710 -1.913 1.00 0.00 O ATOM 1604 CB MET A 99 3.848 -5.688 -3.918 1.00 0.00 C ATOM 1605 CG MET A 99 2.780 -4.566 -3.831 1.00 0.00 C ATOM 1606 SD MET A 99 1.807 -4.374 -5.350 1.00 0.00 S ATOM 1607 CE MET A 99 3.068 -4.050 -6.580 1.00 0.00 C ATOM 0 H MET A 99 5.620 -7.834 -3.031 1.00 0.00 H new ATOM 0 HA MET A 99 3.987 -5.698 -1.773 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.777 -5.256 -4.290 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.522 -6.423 -4.653 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.106 -4.781 -3.002 1.00 0.00 H new ATOM 0 HG3 MET A 99 3.274 -3.622 -3.604 1.00 0.00 H new ATOM 0 HE1 MET A 99 2.607 -3.622 -7.470 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.798 -3.348 -6.177 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.568 -4.982 -6.843 1.00 0.00 H new ATOM 1617 N GLY A 100 1.894 -7.477 -2.649 1.00 0.00 N ATOM 1618 CA GLY A 100 0.913 -8.554 -2.512 1.00 0.00 C ATOM 1619 C GLY A 100 1.248 -9.805 -3.322 1.00 0.00 C ATOM 1620 O GLY A 100 1.365 -10.893 -2.762 1.00 0.00 O ATOM 0 H GLY A 100 1.500 -6.599 -2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.832 -8.826 -1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.064 -8.183 -2.822 1.00 0.00 H new ATOM 1624 N ASP A 101 1.438 -9.636 -4.641 1.00 0.00 N ATOM 1625 CA ASP A 101 1.656 -10.765 -5.578 1.00 0.00 C ATOM 1626 C ASP A 101 2.972 -10.606 -6.376 1.00 0.00 C ATOM 1627 O ASP A 101 3.283 -11.438 -7.231 1.00 0.00 O ATOM 1628 CB ASP A 101 0.446 -10.866 -6.544 1.00 0.00 C ATOM 1629 CG ASP A 101 0.391 -9.719 -7.581 1.00 0.00 C ATOM 1630 OD1 ASP A 101 0.287 -8.535 -7.179 1.00 0.00 O ATOM 1631 OD2 ASP A 101 0.456 -9.993 -8.800 1.00 0.00 O ATOM 0 H ASP A 101 1.446 -8.721 -5.092 1.00 0.00 H new ATOM 0 HA ASP A 101 1.744 -11.683 -4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.489 -11.820 -7.070 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.476 -10.864 -5.962 1.00 0.00 H new ATOM 1636 N LYS A 102 3.753 -9.547 -6.073 1.00 0.00 N ATOM 1637 CA LYS A 102 4.973 -9.177 -6.841 1.00 0.00 C ATOM 1638 C LYS A 102 6.184 -8.982 -5.901 1.00 0.00 C ATOM 1639 O LYS A 102 6.004 -8.581 -4.757 1.00 0.00 O ATOM 1640 CB LYS A 102 4.705 -7.878 -7.654 1.00 0.00 C ATOM 1641 CG LYS A 102 3.710 -8.019 -8.830 1.00 0.00 C ATOM 1642 CD LYS A 102 4.135 -9.106 -9.851 1.00 0.00 C ATOM 1643 CE LYS A 102 3.377 -9.010 -11.186 1.00 0.00 C ATOM 1644 NZ LYS A 102 1.908 -9.155 -11.034 1.00 0.00 N ATOM 0 H LYS A 102 3.560 -8.922 -5.291 1.00 0.00 H new ATOM 0 HA LYS A 102 5.211 -9.990 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.328 -7.115 -6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.654 -7.514 -8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.723 -8.262 -8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.622 -7.061 -9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.205 -9.019 -10.041 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.967 -10.091 -9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.595 -8.049 -11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.744 -9.783 -11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.555 -9.850 -11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.689 -9.479 -10.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.449 -8.237 -11.203 1.00 0.00 H new ATOM 1658 N ILE A 103 7.415 -9.261 -6.400 1.00 0.00 N ATOM 1659 CA ILE A 103 8.667 -9.122 -5.603 1.00 0.00 C ATOM 1660 C ILE A 103 9.920 -9.049 -6.526 1.00 0.00 C ATOM 1661 O ILE A 103 9.948 -9.665 -7.601 1.00 0.00 O ATOM 1662 CB ILE A 103 8.821 -10.310 -4.572 1.00 0.00 C ATOM 1663 CG1 ILE A 103 10.004 -10.070 -3.569 1.00 0.00 C ATOM 1664 CG2 ILE A 103 8.978 -11.655 -5.314 1.00 0.00 C ATOM 1665 CD1 ILE A 103 10.129 -11.108 -2.460 1.00 0.00 C ATOM 0 H ILE A 103 7.570 -9.585 -7.355 1.00 0.00 H new ATOM 0 HA ILE A 103 8.595 -8.187 -5.047 1.00 0.00 H new ATOM 0 HB ILE A 103 7.908 -10.350 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.938 -10.046 -4.131 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.881 -9.087 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.083 -12.461 -4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.098 -11.835 -5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 103 9.864 -11.620 -5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.974 -10.856 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.215 -11.119 -1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.288 -12.093 -2.900 1.00 0.00 H new ATOM 1677 N THR A 104 10.941 -8.270 -6.100 1.00 0.00 N ATOM 1678 CA THR A 104 12.252 -8.175 -6.769 1.00 0.00 C ATOM 1679 C THR A 104 13.386 -8.258 -5.725 1.00 0.00 C ATOM 1680 O THR A 104 13.328 -7.586 -4.688 1.00 0.00 O ATOM 1681 CB THR A 104 12.399 -6.849 -7.589 1.00 0.00 C ATOM 1682 OG1 THR A 104 12.095 -5.711 -6.762 1.00 0.00 O ATOM 1683 CG2 THR A 104 11.498 -6.832 -8.833 1.00 0.00 C ATOM 0 H THR A 104 10.873 -7.682 -5.269 1.00 0.00 H new ATOM 0 HA THR A 104 12.321 -9.011 -7.465 1.00 0.00 H new ATOM 0 HB THR A 104 13.435 -6.797 -7.924 1.00 0.00 H new ATOM 0 HG1 THR A 104 11.154 -5.463 -6.880 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.635 -5.893 -9.369 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.763 -7.664 -9.486 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.456 -6.927 -8.529 1.00 0.00 H new ATOM 1691 N LEU A 105 14.397 -9.107 -6.006 1.00 0.00 N ATOM 1692 CA LEU A 105 15.609 -9.254 -5.163 1.00 0.00 C ATOM 1693 C LEU A 105 16.827 -8.653 -5.880 1.00 0.00 C ATOM 1694 O LEU A 105 16.980 -8.812 -7.096 1.00 0.00 O ATOM 1695 CB LEU A 105 15.865 -10.751 -4.809 1.00 0.00 C ATOM 1696 CG LEU A 105 15.144 -11.306 -3.552 1.00 0.00 C ATOM 1697 CD1 LEU A 105 15.635 -10.589 -2.290 1.00 0.00 C ATOM 1698 CD2 LEU A 105 13.611 -11.234 -3.691 1.00 0.00 C ATOM 0 H LEU A 105 14.398 -9.713 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 105 15.447 -8.712 -4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 105 15.570 -11.358 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 105 16.938 -10.890 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 105 15.398 -12.362 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.118 -10.991 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 105 16.708 -10.743 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.428 -9.522 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.145 -11.632 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.306 -10.197 -3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.296 -11.822 -4.553 1.00 0.00 H new ATOM 1710 N GLY A 106 17.700 -7.985 -5.097 1.00 0.00 N ATOM 1711 CA GLY A 106 18.853 -7.251 -5.627 1.00 0.00 C ATOM 1712 C GLY A 106 18.453 -6.005 -6.417 1.00 0.00 C ATOM 1713 O GLY A 106 17.260 -5.751 -6.630 1.00 0.00 O ATOM 0 H GLY A 106 17.620 -7.943 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.502 -6.959 -4.801 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.434 -7.912 -6.270 1.00 0.00 H new ATOM 1717 N PHE A 107 19.447 -5.200 -6.847 1.00 0.00 N ATOM 1718 CA PHE A 107 19.196 -4.125 -7.819 1.00 0.00 C ATOM 1719 C PHE A 107 19.143 -4.765 -9.213 1.00 0.00 C ATOM 1720 O PHE A 107 20.171 -4.927 -9.886 1.00 0.00 O ATOM 1721 CB PHE A 107 20.252 -2.984 -7.760 1.00 0.00 C ATOM 1722 CG PHE A 107 19.849 -1.763 -8.605 1.00 0.00 C ATOM 1723 CD1 PHE A 107 19.046 -0.759 -8.070 1.00 0.00 C ATOM 1724 CD2 PHE A 107 20.246 -1.636 -9.942 1.00 0.00 C ATOM 1725 CE1 PHE A 107 18.653 0.320 -8.837 1.00 0.00 C ATOM 1726 CE2 PHE A 107 19.852 -0.550 -10.705 1.00 0.00 C ATOM 1727 CZ PHE A 107 19.059 0.429 -10.151 1.00 0.00 C ATOM 0 H PHE A 107 20.417 -5.275 -6.539 1.00 0.00 H new ATOM 0 HA PHE A 107 18.249 -3.643 -7.576 1.00 0.00 H new ATOM 0 HB2 PHE A 107 20.390 -2.675 -6.724 1.00 0.00 H new ATOM 0 HB3 PHE A 107 21.212 -3.363 -8.110 1.00 0.00 H new ATOM 0 HD1 PHE A 107 18.726 -0.825 -7.041 1.00 0.00 H new ATOM 0 HD2 PHE A 107 20.870 -2.398 -10.385 1.00 0.00 H new ATOM 0 HE1 PHE A 107 18.023 1.084 -8.405 1.00 0.00 H new ATOM 0 HE2 PHE A 107 20.167 -0.471 -11.735 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.756 1.280 -10.743 1.00 0.00 H new ATOM 1737 N LYS A 108 17.949 -5.221 -9.586 1.00 0.00 N ATOM 1738 CA LYS A 108 17.687 -5.834 -10.890 1.00 0.00 C ATOM 1739 C LYS A 108 16.691 -4.959 -11.648 1.00 0.00 C ATOM 1740 O LYS A 108 15.487 -5.085 -11.439 1.00 0.00 O ATOM 1741 CB LYS A 108 17.140 -7.283 -10.712 1.00 0.00 C ATOM 1742 CG LYS A 108 18.150 -8.307 -10.145 1.00 0.00 C ATOM 1743 CD LYS A 108 19.287 -8.634 -11.139 1.00 0.00 C ATOM 1744 CE LYS A 108 20.245 -9.711 -10.604 1.00 0.00 C ATOM 1745 NZ LYS A 108 21.298 -10.060 -11.589 1.00 0.00 N ATOM 0 H LYS A 108 17.126 -5.176 -8.986 1.00 0.00 H new ATOM 0 HA LYS A 108 18.613 -5.904 -11.461 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.274 -7.248 -10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 108 16.788 -7.642 -11.679 1.00 0.00 H new ATOM 0 HG2 LYS A 108 18.580 -7.915 -9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 108 17.624 -9.226 -9.886 1.00 0.00 H new ATOM 0 HD2 LYS A 108 18.856 -8.972 -12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 108 19.850 -7.726 -11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 108 20.712 -9.356 -9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 108 19.677 -10.606 -10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 21.921 -10.789 -11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 20.855 -10.423 -12.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 21.857 -9.213 -11.814 1.00 0.00 H new ATOM 1759 N GLU A 109 17.206 -4.035 -12.489 1.00 0.00 N ATOM 1760 CA GLU A 109 16.359 -3.137 -13.307 1.00 0.00 C ATOM 1761 C GLU A 109 15.497 -3.955 -14.285 1.00 0.00 C ATOM 1762 O GLU A 109 14.342 -3.603 -14.561 1.00 0.00 O ATOM 1763 CB GLU A 109 17.219 -2.105 -14.083 1.00 0.00 C ATOM 1764 CG GLU A 109 16.377 -1.074 -14.868 1.00 0.00 C ATOM 1765 CD GLU A 109 17.190 -0.095 -15.726 1.00 0.00 C ATOM 1766 OE1 GLU A 109 17.791 0.848 -15.166 1.00 0.00 O ATOM 1767 OE2 GLU A 109 17.234 -0.266 -16.968 1.00 0.00 O ATOM 0 H GLU A 109 18.207 -3.891 -12.620 1.00 0.00 H new ATOM 0 HA GLU A 109 15.703 -2.589 -12.631 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.863 -1.577 -13.380 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.871 -2.635 -14.777 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.682 -1.611 -15.514 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.777 -0.502 -14.160 1.00 0.00 H new ATOM 1774 N ASP A 110 16.084 -5.059 -14.781 1.00 0.00 N ATOM 1775 CA ASP A 110 15.383 -6.034 -15.629 1.00 0.00 C ATOM 1776 C ASP A 110 14.145 -6.594 -14.898 1.00 0.00 C ATOM 1777 O ASP A 110 13.040 -6.586 -15.445 1.00 0.00 O ATOM 1778 CB ASP A 110 16.346 -7.173 -16.036 1.00 0.00 C ATOM 1779 CG ASP A 110 15.683 -8.288 -16.871 1.00 0.00 C ATOM 1780 OD1 ASP A 110 15.482 -8.100 -18.095 1.00 0.00 O ATOM 1781 OD2 ASP A 110 15.372 -9.366 -16.312 1.00 0.00 O ATOM 0 H ASP A 110 17.059 -5.299 -14.604 1.00 0.00 H new ATOM 0 HA ASP A 110 15.041 -5.532 -16.534 1.00 0.00 H new ATOM 0 HB2 ASP A 110 17.173 -6.749 -16.606 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.773 -7.613 -15.135 1.00 0.00 H new ATOM 1786 N GLN A 111 14.338 -7.055 -13.650 1.00 0.00 N ATOM 1787 CA GLN A 111 13.240 -7.558 -12.821 1.00 0.00 C ATOM 1788 C GLN A 111 12.286 -6.438 -12.372 1.00 0.00 C ATOM 1789 O GLN A 111 11.120 -6.709 -12.124 1.00 0.00 O ATOM 1790 CB GLN A 111 13.791 -8.353 -11.617 1.00 0.00 C ATOM 1791 CG GLN A 111 14.490 -9.662 -12.021 1.00 0.00 C ATOM 1792 CD GLN A 111 13.523 -10.702 -12.600 1.00 0.00 C ATOM 1793 OE1 GLN A 111 13.265 -10.738 -13.803 1.00 0.00 O ATOM 1794 NE2 GLN A 111 12.970 -11.549 -11.747 1.00 0.00 N ATOM 0 H GLN A 111 15.251 -7.088 -13.196 1.00 0.00 H new ATOM 0 HA GLN A 111 12.648 -8.236 -13.436 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.495 -7.727 -11.069 1.00 0.00 H new ATOM 0 HB3 GLN A 111 12.971 -8.582 -10.936 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.263 -9.443 -12.758 1.00 0.00 H new ATOM 0 HG3 GLN A 111 14.991 -10.084 -11.150 1.00 0.00 H new ATOM 0 HE21 GLN A 111 13.201 -11.498 -10.755 1.00 0.00 H new ATOM 0 HE22 GLN A 111 12.313 -12.253 -12.082 1.00 0.00 H new ATOM 1803 N TYR A 112 12.763 -5.181 -12.282 1.00 0.00 N ATOM 1804 CA TYR A 112 11.893 -4.035 -11.925 1.00 0.00 C ATOM 1805 C TYR A 112 10.851 -3.790 -13.035 1.00 0.00 C ATOM 1806 O TYR A 112 9.659 -3.626 -12.752 1.00 0.00 O ATOM 1807 CB TYR A 112 12.710 -2.738 -11.644 1.00 0.00 C ATOM 1808 CG TYR A 112 13.631 -2.757 -10.401 1.00 0.00 C ATOM 1809 CD1 TYR A 112 13.418 -3.633 -9.331 1.00 0.00 C ATOM 1810 CD2 TYR A 112 14.723 -1.884 -10.305 1.00 0.00 C ATOM 1811 CE1 TYR A 112 14.254 -3.638 -8.226 1.00 0.00 C ATOM 1812 CE2 TYR A 112 15.555 -1.888 -9.199 1.00 0.00 C ATOM 1813 CZ TYR A 112 15.320 -2.769 -8.168 1.00 0.00 C ATOM 1814 OH TYR A 112 16.152 -2.779 -7.065 1.00 0.00 O ATOM 0 H TYR A 112 13.738 -4.931 -12.449 1.00 0.00 H new ATOM 0 HA TYR A 112 11.377 -4.293 -11.000 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.323 -2.525 -12.520 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.009 -1.910 -11.537 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.585 -4.319 -9.367 1.00 0.00 H new ATOM 0 HD2 TYR A 112 14.920 -1.193 -11.112 1.00 0.00 H new ATOM 0 HE1 TYR A 112 14.070 -4.323 -7.411 1.00 0.00 H new ATOM 0 HE2 TYR A 112 16.387 -1.201 -9.145 1.00 0.00 H new ATOM 0 HH TYR A 112 16.305 -3.704 -6.779 1.00 0.00 H new ATOM 1824 N LYS A 113 11.304 -3.797 -14.309 1.00 0.00 N ATOM 1825 CA LYS A 113 10.401 -3.615 -15.466 1.00 0.00 C ATOM 1826 C LYS A 113 9.599 -4.896 -15.779 1.00 0.00 C ATOM 1827 O LYS A 113 8.536 -4.834 -16.406 1.00 0.00 O ATOM 1828 CB LYS A 113 11.157 -3.042 -16.712 1.00 0.00 C ATOM 1829 CG LYS A 113 12.361 -3.853 -17.270 1.00 0.00 C ATOM 1830 CD LYS A 113 11.961 -5.094 -18.111 1.00 0.00 C ATOM 1831 CE LYS A 113 13.175 -5.808 -18.730 1.00 0.00 C ATOM 1832 NZ LYS A 113 12.828 -7.140 -19.282 1.00 0.00 N ATOM 0 H LYS A 113 12.284 -3.926 -14.560 1.00 0.00 H new ATOM 0 HA LYS A 113 9.664 -2.861 -15.188 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.432 -2.923 -17.517 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.515 -2.045 -16.456 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.974 -3.194 -17.885 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.982 -4.179 -16.436 1.00 0.00 H new ATOM 0 HD2 LYS A 113 11.415 -5.795 -17.480 1.00 0.00 H new ATOM 0 HD3 LYS A 113 11.282 -4.786 -18.906 1.00 0.00 H new ATOM 0 HE2 LYS A 113 13.593 -5.187 -19.523 1.00 0.00 H new ATOM 0 HE3 LYS A 113 13.950 -5.923 -17.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 13.573 -7.823 -19.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.922 -7.457 -18.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 12.745 -7.076 -20.317 1.00 0.00 H new ATOM 1846 N GLU A 114 10.129 -6.048 -15.340 1.00 0.00 N ATOM 1847 CA GLU A 114 9.457 -7.353 -15.491 1.00 0.00 C ATOM 1848 C GLU A 114 8.290 -7.500 -14.488 1.00 0.00 C ATOM 1849 O GLU A 114 7.208 -7.964 -14.847 1.00 0.00 O ATOM 1850 CB GLU A 114 10.487 -8.497 -15.272 1.00 0.00 C ATOM 1851 CG GLU A 114 9.939 -9.933 -15.428 1.00 0.00 C ATOM 1852 CD GLU A 114 9.528 -10.286 -16.870 1.00 0.00 C ATOM 1853 OE1 GLU A 114 10.408 -10.703 -17.662 1.00 0.00 O ATOM 1854 OE2 GLU A 114 8.336 -10.135 -17.229 1.00 0.00 O ATOM 0 H GLU A 114 11.033 -6.104 -14.871 1.00 0.00 H new ATOM 0 HA GLU A 114 9.047 -7.413 -16.499 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.307 -8.362 -15.978 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.908 -8.395 -14.272 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.697 -10.640 -15.092 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.076 -10.056 -14.773 1.00 0.00 H new ATOM 1861 N THR A 115 8.531 -7.073 -13.237 1.00 0.00 N ATOM 1862 CA THR A 115 7.662 -7.393 -12.085 1.00 0.00 C ATOM 1863 C THR A 115 6.709 -6.232 -11.739 1.00 0.00 C ATOM 1864 O THR A 115 5.509 -6.447 -11.542 1.00 0.00 O ATOM 1865 CB THR A 115 8.547 -7.757 -10.848 1.00 0.00 C ATOM 1866 OG1 THR A 115 9.416 -8.854 -11.182 1.00 0.00 O ATOM 1867 CG2 THR A 115 7.739 -8.113 -9.593 1.00 0.00 C ATOM 0 H THR A 115 9.335 -6.495 -12.993 1.00 0.00 H new ATOM 0 HA THR A 115 7.042 -8.247 -12.358 1.00 0.00 H new ATOM 0 HB THR A 115 9.121 -6.862 -10.607 1.00 0.00 H new ATOM 0 HG1 THR A 115 10.236 -8.508 -11.592 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.421 -8.354 -8.777 1.00 0.00 H new ATOM 0 HG22 THR A 115 7.117 -7.264 -9.308 1.00 0.00 H new ATOM 0 HG23 THR A 115 7.104 -8.974 -9.801 1.00 0.00 H new ATOM 1875 N TRP A 116 7.243 -5.004 -11.659 1.00 0.00 N ATOM 1876 CA TRP A 116 6.456 -3.822 -11.241 1.00 0.00 C ATOM 1877 C TRP A 116 5.778 -3.152 -12.445 1.00 0.00 C ATOM 1878 O TRP A 116 4.638 -2.690 -12.356 1.00 0.00 O ATOM 1879 CB TRP A 116 7.359 -2.778 -10.518 1.00 0.00 C ATOM 1880 CG TRP A 116 8.225 -3.344 -9.411 1.00 0.00 C ATOM 1881 CD1 TRP A 116 9.587 -3.262 -9.310 1.00 0.00 C ATOM 1882 CD2 TRP A 116 7.794 -4.080 -8.256 1.00 0.00 C ATOM 1883 NE1 TRP A 116 10.018 -3.892 -8.177 1.00 0.00 N ATOM 1884 CE2 TRP A 116 8.940 -4.402 -7.517 1.00 0.00 C ATOM 1885 CE3 TRP A 116 6.551 -4.491 -7.769 1.00 0.00 C ATOM 1886 CZ2 TRP A 116 8.881 -5.115 -6.332 1.00 0.00 C ATOM 1887 CZ3 TRP A 116 6.501 -5.201 -6.589 1.00 0.00 C ATOM 1888 CH2 TRP A 116 7.658 -5.505 -5.881 1.00 0.00 C ATOM 0 H TRP A 116 8.218 -4.798 -11.878 1.00 0.00 H new ATOM 0 HA TRP A 116 5.689 -4.174 -10.551 1.00 0.00 H new ATOM 0 HB2 TRP A 116 8.004 -2.303 -11.257 1.00 0.00 H new ATOM 0 HB3 TRP A 116 6.724 -1.997 -10.100 1.00 0.00 H new ATOM 0 HD1 TRP A 116 10.230 -2.769 -10.024 1.00 0.00 H new ATOM 0 HE1 TRP A 116 10.989 -3.968 -7.874 1.00 0.00 H new ATOM 0 HE3 TRP A 116 5.645 -4.256 -8.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 9.779 -5.355 -5.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 5.545 -5.527 -6.207 1.00 0.00 H new ATOM 0 HH2 TRP A 116 7.585 -6.060 -4.957 1.00 0.00 H new ATOM 1899 N LEU A 117 6.504 -3.116 -13.570 1.00 0.00 N ATOM 1900 CA LEU A 117 6.169 -2.270 -14.735 1.00 0.00 C ATOM 1901 C LEU A 117 5.696 -3.117 -15.929 1.00 0.00 C ATOM 1902 O LEU A 117 5.470 -4.325 -15.782 1.00 0.00 O ATOM 1903 CB LEU A 117 7.428 -1.442 -15.112 1.00 0.00 C ATOM 1904 CG LEU A 117 8.159 -0.753 -13.914 1.00 0.00 C ATOM 1905 CD1 LEU A 117 9.477 -0.107 -14.358 1.00 0.00 C ATOM 1906 CD2 LEU A 117 7.240 0.263 -13.212 1.00 0.00 C ATOM 0 H LEU A 117 7.347 -3.675 -13.703 1.00 0.00 H new ATOM 0 HA LEU A 117 5.346 -1.605 -14.475 1.00 0.00 H new ATOM 0 HB2 LEU A 117 8.136 -2.098 -15.619 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.136 -0.674 -15.828 1.00 0.00 H new ATOM 0 HG LEU A 117 8.407 -1.528 -13.189 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.959 0.363 -13.501 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.136 -0.871 -14.771 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.275 0.647 -15.119 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.776 0.726 -12.383 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.937 1.032 -13.923 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.356 -0.248 -12.832 1.00 0.00 H new