USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1040 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 19 LYS NZ :NH3+ 142:sc= 0.687 (180deg=-0.126) USER MOD Set 1.2: B 62 TYR OH : rot 180:sc= 0.0368! USER MOD Set 2.1: B 44 THR OG1 : rot 144:sc= 1.07 USER MOD Set 2.2: B 47 SER OG : rot -79:sc= 0.465! USER MOD Set 3.1: A 19 LYS NZ :NH3+ 146:sc= 0.611 (180deg=-0.121) USER MOD Set 3.2: A 62 TYR OH : rot 180:sc= 0.264 USER MOD Set 4.1: A 44 THR OG1 : rot 143:sc= 1.13 USER MOD Set 4.2: A 47 SER OG : rot -76:sc= 0.456! USER MOD Single : A 1 ALA N :NH3+ -117:sc= -1.09 (180deg=-3.56!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.325 USER MOD Single : A 14 SER OG : rot -84:sc= 1.93 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.393 USER MOD Single : A 23 ASN : amide:sc= -2.74! K(o=-2.7!,f=-0.18) USER MOD Single : A 28 TYR OH : rot -42:sc= 0.0121 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 15:sc= -1.5 USER MOD Single : A 32 SER OG : rot 150:sc= 0.281 USER MOD Single : A 33 SER OG : rot 180:sc= -0.135 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 43 GLN : amide:sc= -2.91! C(o=-2.9!,f=-4.6!) USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= 0.708 (180deg=-0.046!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -5.04! C(o=-5!,f=-11!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.703 K(o=-0.7,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.6) USER MOD Single : B 1 ALA N :NH3+ -117:sc= -1.03 (180deg=-3.47!) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 166:sc= -0.305 USER MOD Single : B 14 SER OG : rot -81:sc= 1.85 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.472 USER MOD Single : B 23 ASN : amide:sc= -2.75! K(o=-2.8!,f=-0.21) USER MOD Single : B 28 TYR OH : rot -45:sc= 0.0107 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 29:sc= -1.38 USER MOD Single : B 32 SER OG : rot 150:sc= 0.367 USER MOD Single : B 33 SER OG : rot 180:sc= -0.135 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= -0.0144 K(o=-0.014,f=-1.1) USER MOD Single : B 43 GLN : amide:sc= -2.96! C(o=-3!,f=-4.7!) USER MOD Single : B 45 LYS NZ :NH3+ -164:sc= 0.612 (180deg=-0.188!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -5.06! C(o=-5.1!,f=-11!) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= -0.725 K(o=-0.73,f=0) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 ASN : amide:sc= -0.077 K(o=-0.077,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.048 16.194 -13.626 1.00 3.98 N ATOM 2 CA ALA A 1 -7.291 15.461 -12.570 1.00 3.41 C ATOM 3 C ALA A 1 -8.038 15.566 -11.232 1.00 2.89 C ATOM 4 O ALA A 1 -7.558 16.206 -10.317 1.00 2.91 O ATOM 5 CB ALA A 1 -5.901 16.084 -12.423 1.00 3.83 C ATOM 0 H1 ALA A 1 -8.356 15.525 -14.360 1.00 3.98 H new ATOM 0 H2 ALA A 1 -8.881 16.650 -13.202 1.00 3.98 H new ATOM 0 H3 ALA A 1 -7.436 16.919 -14.052 1.00 3.98 H new ATOM 0 HA ALA A 1 -7.198 14.412 -12.851 1.00 3.41 H new ATOM 0 HB1 ALA A 1 -5.343 15.552 -11.652 1.00 3.83 H new ATOM 0 HB2 ALA A 1 -5.368 16.012 -13.371 1.00 3.83 H new ATOM 0 HB3 ALA A 1 -6.000 17.132 -12.141 1.00 3.83 H new ATOM 13 N PRO A 2 -9.193 14.939 -11.147 1.00 2.53 N ATOM 14 CA PRO A 2 -9.997 14.974 -9.910 1.00 2.14 C ATOM 15 C PRO A 2 -9.222 14.300 -8.768 1.00 1.85 C ATOM 16 O PRO A 2 -8.520 13.329 -8.970 1.00 1.89 O ATOM 17 CB PRO A 2 -11.293 14.197 -10.253 1.00 1.96 C ATOM 18 CG PRO A 2 -11.158 13.688 -11.720 1.00 2.21 C ATOM 19 CD PRO A 2 -9.787 14.158 -12.254 1.00 2.60 C ATOM 0 HA PRO A 2 -10.221 15.988 -9.578 1.00 2.14 H new ATOM 0 HB2 PRO A 2 -11.432 13.361 -9.568 1.00 1.96 H new ATOM 0 HB3 PRO A 2 -12.166 14.842 -10.149 1.00 1.96 H new ATOM 0 HG2 PRO A 2 -11.231 12.601 -11.756 1.00 2.21 H new ATOM 0 HG3 PRO A 2 -11.965 14.082 -12.338 1.00 2.21 H new ATOM 0 HD2 PRO A 2 -9.156 13.311 -12.522 1.00 2.60 H new ATOM 0 HD3 PRO A 2 -9.900 14.767 -13.151 1.00 2.60 H new ATOM 27 N MET A 3 -9.344 14.810 -7.573 1.00 1.69 N ATOM 28 CA MET A 3 -8.618 14.201 -6.424 1.00 1.53 C ATOM 29 C MET A 3 -9.374 12.961 -5.941 1.00 1.17 C ATOM 30 O MET A 3 -10.546 13.021 -5.625 1.00 0.99 O ATOM 31 CB MET A 3 -8.520 15.218 -5.286 1.00 1.63 C ATOM 32 CG MET A 3 -7.804 16.474 -5.787 1.00 2.15 C ATOM 33 SD MET A 3 -7.926 17.778 -4.537 1.00 2.54 S ATOM 34 CE MET A 3 -6.780 18.943 -5.313 1.00 3.59 C ATOM 0 H MET A 3 -9.916 15.623 -7.343 1.00 1.69 H new ATOM 0 HA MET A 3 -7.615 13.913 -6.739 1.00 1.53 H new ATOM 0 HB2 MET A 3 -9.516 15.474 -4.925 1.00 1.63 H new ATOM 0 HB3 MET A 3 -7.977 14.788 -4.445 1.00 1.63 H new ATOM 0 HG2 MET A 3 -6.757 16.251 -5.994 1.00 2.15 H new ATOM 0 HG3 MET A 3 -8.249 16.810 -6.723 1.00 2.15 H new ATOM 0 HE1 MET A 3 -6.701 19.840 -4.699 1.00 3.59 H new ATOM 0 HE2 MET A 3 -5.798 18.480 -5.406 1.00 3.59 H new ATOM 0 HE3 MET A 3 -7.149 19.212 -6.302 1.00 3.59 H new ATOM 44 N GLY A 4 -8.712 11.837 -5.881 1.00 1.14 N ATOM 45 CA GLY A 4 -9.393 10.594 -5.418 1.00 0.89 C ATOM 46 C GLY A 4 -10.086 10.855 -4.082 1.00 0.62 C ATOM 47 O GLY A 4 -9.960 11.916 -3.504 1.00 0.70 O ATOM 0 H GLY A 4 -7.730 11.726 -6.132 1.00 1.14 H new ATOM 0 HA2 GLY A 4 -10.123 10.269 -6.160 1.00 0.89 H new ATOM 0 HA3 GLY A 4 -8.667 9.788 -5.311 1.00 0.89 H new ATOM 51 N SER A 5 -10.822 9.895 -3.584 1.00 0.44 N ATOM 52 CA SER A 5 -11.526 10.090 -2.284 1.00 0.30 C ATOM 53 C SER A 5 -10.594 9.689 -1.124 1.00 0.27 C ATOM 54 O SER A 5 -10.122 10.529 -0.384 1.00 0.30 O ATOM 55 CB SER A 5 -12.817 9.255 -2.273 1.00 0.49 C ATOM 56 OG SER A 5 -13.932 10.129 -2.144 1.00 1.52 O ATOM 0 H SER A 5 -10.965 8.985 -4.022 1.00 0.44 H new ATOM 0 HA SER A 5 -11.793 11.139 -2.158 1.00 0.30 H new ATOM 0 HB2 SER A 5 -12.898 8.674 -3.192 1.00 0.49 H new ATOM 0 HB3 SER A 5 -12.798 8.544 -1.447 1.00 0.49 H new ATOM 0 HG SER A 5 -14.760 9.604 -2.138 1.00 1.52 H new ATOM 62 N ASP A 6 -10.321 8.418 -0.959 1.00 0.24 N ATOM 63 CA ASP A 6 -9.416 7.993 0.156 1.00 0.23 C ATOM 64 C ASP A 6 -8.844 6.596 -0.139 1.00 0.21 C ATOM 65 O ASP A 6 -9.218 5.636 0.506 1.00 0.20 O ATOM 66 CB ASP A 6 -10.202 7.954 1.479 1.00 0.25 C ATOM 67 CG ASP A 6 -9.228 8.009 2.660 1.00 1.26 C ATOM 68 OD1 ASP A 6 -8.050 7.778 2.441 1.00 2.03 O ATOM 69 OD2 ASP A 6 -9.678 8.282 3.761 1.00 2.00 O ATOM 0 H ASP A 6 -10.681 7.662 -1.542 1.00 0.24 H new ATOM 0 HA ASP A 6 -8.598 8.708 0.241 1.00 0.23 H new ATOM 0 HB2 ASP A 6 -10.894 8.795 1.527 1.00 0.25 H new ATOM 0 HB3 ASP A 6 -10.801 7.045 1.531 1.00 0.25 H new ATOM 74 N PRO A 7 -7.960 6.511 -1.108 1.00 0.22 N ATOM 75 CA PRO A 7 -7.353 5.219 -1.481 1.00 0.22 C ATOM 76 C PRO A 7 -6.468 4.697 -0.327 1.00 0.20 C ATOM 77 O PRO A 7 -6.143 5.442 0.576 1.00 0.20 O ATOM 78 CB PRO A 7 -6.514 5.527 -2.745 1.00 0.25 C ATOM 79 CG PRO A 7 -6.614 7.060 -3.011 1.00 0.27 C ATOM 80 CD PRO A 7 -7.504 7.669 -1.905 1.00 0.26 C ATOM 0 HA PRO A 7 -8.094 4.443 -1.674 1.00 0.22 H new ATOM 0 HB2 PRO A 7 -5.476 5.230 -2.598 1.00 0.25 H new ATOM 0 HB3 PRO A 7 -6.888 4.964 -3.600 1.00 0.25 H new ATOM 0 HG2 PRO A 7 -5.624 7.516 -3.000 1.00 0.27 H new ATOM 0 HG3 PRO A 7 -7.042 7.251 -3.995 1.00 0.27 H new ATOM 0 HD2 PRO A 7 -6.945 8.376 -1.292 1.00 0.26 H new ATOM 0 HD3 PRO A 7 -8.347 8.213 -2.330 1.00 0.26 H new ATOM 88 N PRO A 8 -6.095 3.431 -0.389 1.00 0.21 N ATOM 89 CA PRO A 8 -5.240 2.821 0.653 1.00 0.22 C ATOM 90 C PRO A 8 -3.872 3.521 0.683 1.00 0.22 C ATOM 91 O PRO A 8 -3.728 4.644 0.239 1.00 0.22 O ATOM 92 CB PRO A 8 -5.101 1.337 0.229 1.00 0.24 C ATOM 93 CG PRO A 8 -5.746 1.194 -1.179 1.00 0.26 C ATOM 94 CD PRO A 8 -6.488 2.514 -1.482 1.00 0.24 C ATOM 0 HA PRO A 8 -5.660 2.915 1.654 1.00 0.22 H new ATOM 0 HB2 PRO A 8 -4.052 1.042 0.203 1.00 0.24 H new ATOM 0 HB3 PRO A 8 -5.598 0.684 0.947 1.00 0.24 H new ATOM 0 HG2 PRO A 8 -4.983 1.001 -1.933 1.00 0.26 H new ATOM 0 HG3 PRO A 8 -6.437 0.351 -1.201 1.00 0.26 H new ATOM 0 HD2 PRO A 8 -6.202 2.914 -2.455 1.00 0.24 H new ATOM 0 HD3 PRO A 8 -7.567 2.365 -1.503 1.00 0.24 H new ATOM 102 N THR A 9 -2.869 2.864 1.203 1.00 0.23 N ATOM 103 CA THR A 9 -1.513 3.483 1.264 1.00 0.24 C ATOM 104 C THR A 9 -0.452 2.384 1.269 1.00 0.24 C ATOM 105 O THR A 9 -0.441 1.517 2.120 1.00 0.25 O ATOM 106 CB THR A 9 -1.391 4.313 2.541 1.00 0.25 C ATOM 107 OG1 THR A 9 -2.535 5.144 2.673 1.00 0.26 O ATOM 108 CG2 THR A 9 -0.132 5.181 2.472 1.00 0.29 C ATOM 0 H THR A 9 -2.931 1.922 1.589 1.00 0.23 H new ATOM 0 HA THR A 9 -1.367 4.126 0.396 1.00 0.24 H new ATOM 0 HB THR A 9 -1.322 3.648 3.402 1.00 0.25 H new ATOM 0 HG1 THR A 9 -2.536 5.560 3.560 1.00 0.26 H new ATOM 0 HG21 THR A 9 -0.047 5.772 3.384 1.00 0.29 H new ATOM 0 HG22 THR A 9 0.745 4.542 2.371 1.00 0.29 H new ATOM 0 HG23 THR A 9 -0.196 5.848 1.612 1.00 0.29 H new ATOM 116 N ALA A 10 0.441 2.418 0.321 1.00 0.23 N ATOM 117 CA ALA A 10 1.506 1.383 0.259 1.00 0.23 C ATOM 118 C ALA A 10 2.465 1.560 1.435 1.00 0.22 C ATOM 119 O ALA A 10 3.523 2.141 1.302 1.00 0.27 O ATOM 120 CB ALA A 10 2.278 1.539 -1.050 1.00 0.23 C ATOM 0 H ALA A 10 0.478 3.122 -0.416 1.00 0.23 H new ATOM 0 HA ALA A 10 1.055 0.392 0.308 1.00 0.23 H new ATOM 0 HB1 ALA A 10 3.061 0.783 -1.103 1.00 0.23 H new ATOM 0 HB2 ALA A 10 1.596 1.415 -1.891 1.00 0.23 H new ATOM 0 HB3 ALA A 10 2.728 2.531 -1.091 1.00 0.23 H new ATOM 126 N CYS A 11 2.105 1.048 2.585 1.00 0.25 N ATOM 127 CA CYS A 11 2.990 1.164 3.786 1.00 0.25 C ATOM 128 C CYS A 11 3.575 -0.215 4.094 1.00 0.25 C ATOM 129 O CYS A 11 2.885 -1.215 4.046 1.00 0.26 O ATOM 130 CB CYS A 11 2.166 1.650 4.982 1.00 0.25 C ATOM 131 SG CYS A 11 1.242 3.134 4.515 1.00 0.33 S ATOM 0 H CYS A 11 1.229 0.551 2.745 1.00 0.25 H new ATOM 0 HA CYS A 11 3.793 1.875 3.593 1.00 0.25 H new ATOM 0 HB2 CYS A 11 1.479 0.868 5.306 1.00 0.25 H new ATOM 0 HB3 CYS A 11 2.822 1.867 5.825 1.00 0.25 H new ATOM 136 N CYS A 12 4.841 -0.282 4.396 1.00 0.24 N ATOM 137 CA CYS A 12 5.461 -1.603 4.693 1.00 0.24 C ATOM 138 C CYS A 12 4.988 -2.098 6.059 1.00 0.24 C ATOM 139 O CYS A 12 4.816 -1.331 6.985 1.00 0.27 O ATOM 140 CB CYS A 12 6.985 -1.466 4.703 1.00 0.24 C ATOM 141 SG CYS A 12 7.558 -0.956 3.064 1.00 0.24 S ATOM 0 H CYS A 12 5.472 0.518 4.450 1.00 0.24 H new ATOM 0 HA CYS A 12 5.165 -2.318 3.925 1.00 0.24 H new ATOM 0 HB2 CYS A 12 7.290 -0.733 5.450 1.00 0.24 H new ATOM 0 HB3 CYS A 12 7.444 -2.415 4.981 1.00 0.24 H new ATOM 146 N PHE A 13 4.788 -3.385 6.193 1.00 0.25 N ATOM 147 CA PHE A 13 4.338 -3.959 7.496 1.00 0.27 C ATOM 148 C PHE A 13 5.541 -4.619 8.172 1.00 0.24 C ATOM 149 O PHE A 13 5.540 -4.888 9.357 1.00 0.26 O ATOM 150 CB PHE A 13 3.250 -5.008 7.242 1.00 0.30 C ATOM 151 CG PHE A 13 3.848 -6.180 6.503 1.00 0.31 C ATOM 152 CD1 PHE A 13 4.117 -6.079 5.127 1.00 0.31 C ATOM 153 CD2 PHE A 13 4.146 -7.371 7.195 1.00 0.35 C ATOM 154 CE1 PHE A 13 4.684 -7.167 4.439 1.00 0.34 C ATOM 155 CE2 PHE A 13 4.715 -8.459 6.508 1.00 0.37 C ATOM 156 CZ PHE A 13 4.984 -8.358 5.130 1.00 0.37 C ATOM 0 H PHE A 13 4.919 -4.068 5.447 1.00 0.25 H new ATOM 0 HA PHE A 13 3.933 -3.175 8.135 1.00 0.27 H new ATOM 0 HB2 PHE A 13 2.822 -5.340 8.188 1.00 0.30 H new ATOM 0 HB3 PHE A 13 2.438 -4.572 6.660 1.00 0.30 H new ATOM 0 HD1 PHE A 13 3.888 -5.166 4.598 1.00 0.31 H new ATOM 0 HD2 PHE A 13 3.938 -7.448 8.252 1.00 0.35 H new ATOM 0 HE1 PHE A 13 4.889 -7.090 3.382 1.00 0.34 H new ATOM 0 HE2 PHE A 13 4.945 -9.371 7.038 1.00 0.37 H new ATOM 0 HZ PHE A 13 5.420 -9.193 4.602 1.00 0.37 H new ATOM 166 N SER A 14 6.570 -4.878 7.411 1.00 0.21 N ATOM 167 CA SER A 14 7.790 -5.517 7.974 1.00 0.20 C ATOM 168 C SER A 14 8.981 -5.184 7.074 1.00 0.18 C ATOM 169 O SER A 14 9.006 -4.159 6.421 1.00 0.17 O ATOM 170 CB SER A 14 7.597 -7.033 8.027 1.00 0.20 C ATOM 171 OG SER A 14 7.445 -7.534 6.706 1.00 0.25 O ATOM 0 H SER A 14 6.616 -4.671 6.413 1.00 0.21 H new ATOM 0 HA SER A 14 7.971 -5.145 8.982 1.00 0.20 H new ATOM 0 HB2 SER A 14 8.453 -7.503 8.510 1.00 0.20 H new ATOM 0 HB3 SER A 14 6.719 -7.279 8.625 1.00 0.20 H new ATOM 0 HG SER A 14 6.510 -7.442 6.427 1.00 0.25 H new ATOM 177 N TYR A 15 9.970 -6.036 7.029 1.00 0.19 N ATOM 178 CA TYR A 15 11.157 -5.758 6.166 1.00 0.20 C ATOM 179 C TYR A 15 11.830 -7.075 5.786 1.00 0.24 C ATOM 180 O TYR A 15 11.613 -8.096 6.410 1.00 0.29 O ATOM 181 CB TYR A 15 12.155 -4.877 6.929 1.00 0.22 C ATOM 182 CG TYR A 15 11.411 -3.824 7.716 1.00 0.21 C ATOM 183 CD1 TYR A 15 11.022 -2.622 7.093 1.00 0.21 C ATOM 184 CD2 TYR A 15 11.105 -4.045 9.072 1.00 0.25 C ATOM 185 CE1 TYR A 15 10.328 -1.642 7.827 1.00 0.23 C ATOM 186 CE2 TYR A 15 10.411 -3.064 9.807 1.00 0.28 C ATOM 187 CZ TYR A 15 10.022 -1.862 9.184 1.00 0.27 C ATOM 188 OH TYR A 15 9.342 -0.901 9.903 1.00 0.32 O ATOM 0 H TYR A 15 10.008 -6.911 7.551 1.00 0.19 H new ATOM 0 HA TYR A 15 10.833 -5.240 5.263 1.00 0.20 H new ATOM 0 HB2 TYR A 15 12.755 -5.490 7.601 1.00 0.22 H new ATOM 0 HB3 TYR A 15 12.844 -4.403 6.230 1.00 0.22 H new ATOM 0 HD1 TYR A 15 11.256 -2.453 6.052 1.00 0.21 H new ATOM 0 HD2 TYR A 15 11.402 -4.967 9.549 1.00 0.25 H new ATOM 0 HE1 TYR A 15 10.030 -0.720 7.349 1.00 0.23 H new ATOM 0 HE2 TYR A 15 10.177 -3.233 10.848 1.00 0.28 H new ATOM 0 HH TYR A 15 9.211 -1.212 10.823 1.00 0.32 H new ATOM 198 N THR A 16 12.651 -7.062 4.771 1.00 0.22 N ATOM 199 CA THR A 16 13.343 -8.318 4.367 1.00 0.28 C ATOM 200 C THR A 16 14.215 -8.799 5.529 1.00 0.32 C ATOM 201 O THR A 16 13.900 -8.581 6.682 1.00 0.38 O ATOM 202 CB THR A 16 14.192 -8.064 3.114 1.00 0.28 C ATOM 203 OG1 THR A 16 14.856 -9.262 2.737 1.00 0.39 O ATOM 204 CG2 THR A 16 15.223 -6.968 3.386 1.00 0.27 C ATOM 0 H THR A 16 12.871 -6.241 4.207 1.00 0.22 H new ATOM 0 HA THR A 16 12.611 -9.090 4.129 1.00 0.28 H new ATOM 0 HB THR A 16 13.538 -7.740 2.304 1.00 0.28 H new ATOM 0 HG1 THR A 16 15.396 -9.098 1.936 1.00 0.39 H new ATOM 0 HG21 THR A 16 15.818 -6.798 2.489 1.00 0.27 H new ATOM 0 HG22 THR A 16 14.710 -6.046 3.661 1.00 0.27 H new ATOM 0 HG23 THR A 16 15.876 -7.277 4.202 1.00 0.27 H new ATOM 212 N ALA A 17 15.307 -9.457 5.249 1.00 0.36 N ATOM 213 CA ALA A 17 16.186 -9.950 6.350 1.00 0.42 C ATOM 214 C ALA A 17 17.642 -9.921 5.887 1.00 0.45 C ATOM 215 O ALA A 17 18.545 -9.668 6.661 1.00 0.63 O ATOM 216 CB ALA A 17 15.787 -11.384 6.707 1.00 0.50 C ATOM 0 H ALA A 17 15.629 -9.675 4.306 1.00 0.36 H new ATOM 0 HA ALA A 17 16.074 -9.312 7.227 1.00 0.42 H new ATOM 0 HB1 ALA A 17 16.426 -11.750 7.511 1.00 0.50 H new ATOM 0 HB2 ALA A 17 14.747 -11.402 7.033 1.00 0.50 H new ATOM 0 HB3 ALA A 17 15.904 -12.023 5.832 1.00 0.50 H new ATOM 222 N ARG A 18 17.878 -10.170 4.628 1.00 0.47 N ATOM 223 CA ARG A 18 19.275 -10.149 4.102 1.00 0.48 C ATOM 224 C ARG A 18 19.560 -8.775 3.493 1.00 0.41 C ATOM 225 O ARG A 18 18.809 -8.279 2.677 1.00 0.37 O ATOM 226 CB ARG A 18 19.428 -11.229 3.020 1.00 0.53 C ATOM 227 CG ARG A 18 19.637 -12.599 3.674 1.00 0.70 C ATOM 228 CD ARG A 18 18.393 -12.993 4.474 1.00 1.15 C ATOM 229 NE ARG A 18 18.405 -14.465 4.711 1.00 1.96 N ATOM 230 CZ ARG A 18 17.626 -14.988 5.617 1.00 2.64 C ATOM 231 NH1 ARG A 18 16.845 -14.221 6.326 1.00 2.84 N ATOM 232 NH2 ARG A 18 17.631 -16.277 5.817 1.00 3.63 N ATOM 0 H ARG A 18 17.160 -10.388 3.937 1.00 0.47 H new ATOM 0 HA ARG A 18 19.977 -10.345 4.912 1.00 0.48 H new ATOM 0 HB2 ARG A 18 18.541 -11.250 2.387 1.00 0.53 H new ATOM 0 HB3 ARG A 18 20.274 -10.992 2.375 1.00 0.53 H new ATOM 0 HG2 ARG A 18 19.840 -13.349 2.909 1.00 0.70 H new ATOM 0 HG3 ARG A 18 20.507 -12.569 4.330 1.00 0.70 H new ATOM 0 HD2 ARG A 18 18.374 -12.460 5.425 1.00 1.15 H new ATOM 0 HD3 ARG A 18 17.492 -12.708 3.931 1.00 1.15 H new ATOM 0 HE ARG A 18 19.023 -15.064 4.164 1.00 1.96 H new ATOM 0 HH11 ARG A 18 16.844 -13.213 6.172 1.00 2.84 H new ATOM 0 HH12 ARG A 18 16.236 -14.629 7.035 1.00 2.84 H new ATOM 0 HH21 ARG A 18 18.244 -16.876 5.265 1.00 3.63 H new ATOM 0 HH22 ARG A 18 17.022 -16.686 6.526 1.00 3.63 H new ATOM 246 N LYS A 19 20.643 -8.160 3.878 1.00 0.40 N ATOM 247 CA LYS A 19 20.979 -6.824 3.316 1.00 0.35 C ATOM 248 C LYS A 19 21.196 -6.976 1.807 1.00 0.31 C ATOM 249 O LYS A 19 21.929 -7.835 1.361 1.00 0.33 O ATOM 250 CB LYS A 19 22.251 -6.303 4.004 1.00 0.38 C ATOM 251 CG LYS A 19 22.835 -5.105 3.258 1.00 0.40 C ATOM 252 CD LYS A 19 24.070 -4.617 4.015 1.00 0.62 C ATOM 253 CE LYS A 19 24.869 -3.665 3.133 1.00 0.97 C ATOM 254 NZ LYS A 19 25.641 -4.451 2.130 1.00 1.79 N ATOM 0 H LYS A 19 21.310 -8.526 4.558 1.00 0.40 H new ATOM 0 HA LYS A 19 20.173 -6.111 3.489 1.00 0.35 H new ATOM 0 HB2 LYS A 19 22.021 -6.018 5.031 1.00 0.38 H new ATOM 0 HB3 LYS A 19 22.993 -7.100 4.053 1.00 0.38 H new ATOM 0 HG2 LYS A 19 23.102 -5.387 2.239 1.00 0.40 H new ATOM 0 HG3 LYS A 19 22.096 -4.307 3.185 1.00 0.40 H new ATOM 0 HD2 LYS A 19 23.770 -4.112 4.933 1.00 0.62 H new ATOM 0 HD3 LYS A 19 24.689 -5.466 4.306 1.00 0.62 H new ATOM 0 HE2 LYS A 19 24.198 -2.970 2.628 1.00 0.97 H new ATOM 0 HE3 LYS A 19 25.547 -3.068 3.743 1.00 0.97 H new ATOM 0 HZ1 LYS A 19 25.703 -3.914 1.241 1.00 1.79 H new ATOM 0 HZ2 LYS A 19 26.599 -4.631 2.493 1.00 1.79 H new ATOM 0 HZ3 LYS A 19 25.161 -5.357 1.955 1.00 1.79 H new ATOM 268 N LEU A 20 20.550 -6.162 1.019 1.00 0.27 N ATOM 269 CA LEU A 20 20.703 -6.275 -0.458 1.00 0.27 C ATOM 270 C LEU A 20 22.094 -5.753 -0.891 1.00 0.27 C ATOM 271 O LEU A 20 22.369 -4.585 -0.696 1.00 0.27 O ATOM 272 CB LEU A 20 19.640 -5.411 -1.143 1.00 0.24 C ATOM 273 CG LEU A 20 18.276 -5.621 -0.486 1.00 0.23 C ATOM 274 CD1 LEU A 20 17.206 -4.935 -1.335 1.00 0.22 C ATOM 275 CD2 LEU A 20 17.960 -7.117 -0.391 1.00 0.27 C ATOM 0 H LEU A 20 19.922 -5.423 1.335 1.00 0.27 H new ATOM 0 HA LEU A 20 20.594 -7.322 -0.742 1.00 0.27 H new ATOM 0 HB2 LEU A 20 19.922 -4.360 -1.082 1.00 0.24 H new ATOM 0 HB3 LEU A 20 19.583 -5.664 -2.202 1.00 0.24 H new ATOM 0 HG LEU A 20 18.291 -5.197 0.518 1.00 0.23 H new ATOM 0 HD11 LEU A 20 16.229 -5.079 -0.875 1.00 0.22 H new ATOM 0 HD12 LEU A 20 17.422 -3.869 -1.401 1.00 0.22 H new ATOM 0 HD13 LEU A 20 17.203 -5.367 -2.336 1.00 0.22 H new ATOM 0 HD21 LEU A 20 16.986 -7.254 0.079 1.00 0.27 H new ATOM 0 HD22 LEU A 20 17.945 -7.550 -1.391 1.00 0.27 H new ATOM 0 HD23 LEU A 20 18.724 -7.613 0.207 1.00 0.27 H new ATOM 287 N PRO A 21 22.936 -6.588 -1.484 1.00 0.31 N ATOM 288 CA PRO A 21 24.259 -6.116 -1.937 1.00 0.34 C ATOM 289 C PRO A 21 24.080 -4.947 -2.910 1.00 0.30 C ATOM 290 O PRO A 21 23.118 -4.892 -3.648 1.00 0.29 O ATOM 291 CB PRO A 21 24.896 -7.331 -2.650 1.00 0.39 C ATOM 292 CG PRO A 21 23.972 -8.554 -2.393 1.00 0.42 C ATOM 293 CD PRO A 21 22.675 -8.023 -1.747 1.00 0.35 C ATOM 0 HA PRO A 21 24.883 -5.761 -1.117 1.00 0.34 H new ATOM 0 HB2 PRO A 21 24.994 -7.141 -3.719 1.00 0.39 H new ATOM 0 HB3 PRO A 21 25.899 -7.520 -2.266 1.00 0.39 H new ATOM 0 HG2 PRO A 21 23.752 -9.072 -3.326 1.00 0.42 H new ATOM 0 HG3 PRO A 21 24.461 -9.274 -1.737 1.00 0.42 H new ATOM 0 HD2 PRO A 21 21.821 -8.153 -2.412 1.00 0.35 H new ATOM 0 HD3 PRO A 21 22.446 -8.558 -0.825 1.00 0.35 H new ATOM 301 N ARG A 22 25.000 -4.025 -2.934 1.00 0.31 N ATOM 302 CA ARG A 22 24.874 -2.887 -3.885 1.00 0.30 C ATOM 303 C ARG A 22 24.612 -3.449 -5.285 1.00 0.31 C ATOM 304 O ARG A 22 23.916 -2.858 -6.086 1.00 0.31 O ATOM 305 CB ARG A 22 26.171 -2.074 -3.891 1.00 0.33 C ATOM 306 CG ARG A 22 25.946 -0.758 -4.637 1.00 0.69 C ATOM 307 CD ARG A 22 27.182 0.131 -4.485 1.00 1.24 C ATOM 308 NE ARG A 22 26.959 1.418 -5.202 1.00 1.34 N ATOM 309 CZ ARG A 22 27.738 2.439 -4.968 1.00 2.07 C ATOM 310 NH1 ARG A 22 28.711 2.332 -4.106 1.00 2.89 N ATOM 311 NH2 ARG A 22 27.543 3.565 -5.596 1.00 2.44 N ATOM 0 H ARG A 22 25.829 -4.009 -2.340 1.00 0.31 H new ATOM 0 HA ARG A 22 24.052 -2.238 -3.583 1.00 0.30 H new ATOM 0 HB2 ARG A 22 26.492 -1.874 -2.869 1.00 0.33 H new ATOM 0 HB3 ARG A 22 26.967 -2.644 -4.370 1.00 0.33 H new ATOM 0 HG2 ARG A 22 25.753 -0.954 -5.692 1.00 0.69 H new ATOM 0 HG3 ARG A 22 25.067 -0.249 -4.241 1.00 0.69 H new ATOM 0 HD2 ARG A 22 27.380 0.320 -3.430 1.00 1.24 H new ATOM 0 HD3 ARG A 22 28.059 -0.375 -4.888 1.00 1.24 H new ATOM 0 HE ARG A 22 26.198 1.501 -5.876 1.00 1.34 H new ATOM 0 HH11 ARG A 22 28.863 1.451 -3.615 1.00 2.89 H new ATOM 0 HH12 ARG A 22 29.320 3.129 -3.923 1.00 2.89 H new ATOM 0 HH21 ARG A 22 26.782 3.648 -6.270 1.00 2.44 H new ATOM 0 HH22 ARG A 22 28.152 4.363 -5.413 1.00 2.44 H new ATOM 325 N ASN A 23 25.166 -4.598 -5.576 1.00 0.34 N ATOM 326 CA ASN A 23 24.955 -5.217 -6.916 1.00 0.37 C ATOM 327 C ASN A 23 23.525 -5.756 -7.015 1.00 0.37 C ATOM 328 O ASN A 23 23.204 -6.527 -7.898 1.00 0.40 O ATOM 329 CB ASN A 23 25.946 -6.366 -7.108 1.00 0.42 C ATOM 330 CG ASN A 23 27.374 -5.834 -6.980 1.00 1.47 C ATOM 331 OD1 ASN A 23 28.123 -5.836 -7.936 1.00 2.16 O ATOM 332 ND2 ASN A 23 27.786 -5.375 -5.830 1.00 2.38 N ATOM 0 H ASN A 23 25.757 -5.134 -4.941 1.00 0.34 H new ATOM 0 HA ASN A 23 25.113 -4.466 -7.690 1.00 0.37 H new ATOM 0 HB2 ASN A 23 25.768 -7.142 -6.364 1.00 0.42 H new ATOM 0 HB3 ASN A 23 25.803 -6.824 -8.087 1.00 0.42 H new ATOM 0 HD21 ASN A 23 28.737 -5.018 -5.734 1.00 2.38 H new ATOM 0 HD22 ASN A 23 27.157 -5.373 -5.027 1.00 2.38 H new ATOM 339 N PHE A 24 22.666 -5.364 -6.110 1.00 0.33 N ATOM 340 CA PHE A 24 21.252 -5.857 -6.137 1.00 0.33 C ATOM 341 C PHE A 24 20.315 -4.694 -5.798 1.00 0.30 C ATOM 342 O PHE A 24 19.234 -4.884 -5.277 1.00 0.28 O ATOM 343 CB PHE A 24 21.097 -6.978 -5.092 1.00 0.33 C ATOM 344 CG PHE A 24 19.906 -7.859 -5.419 1.00 0.35 C ATOM 345 CD1 PHE A 24 19.864 -8.572 -6.635 1.00 0.39 C ATOM 346 CD2 PHE A 24 18.842 -7.980 -4.499 1.00 0.35 C ATOM 347 CE1 PHE A 24 18.766 -9.400 -6.930 1.00 0.41 C ATOM 348 CE2 PHE A 24 17.743 -8.808 -4.798 1.00 0.37 C ATOM 349 CZ PHE A 24 17.705 -9.518 -6.011 1.00 0.41 C ATOM 0 H PHE A 24 22.882 -4.720 -5.349 1.00 0.33 H new ATOM 0 HA PHE A 24 21.003 -6.245 -7.125 1.00 0.33 H new ATOM 0 HB2 PHE A 24 22.004 -7.582 -5.062 1.00 0.33 H new ATOM 0 HB3 PHE A 24 20.971 -6.542 -4.101 1.00 0.33 H new ATOM 0 HD1 PHE A 24 20.676 -8.482 -7.341 1.00 0.39 H new ATOM 0 HD2 PHE A 24 18.871 -7.437 -3.566 1.00 0.35 H new ATOM 0 HE1 PHE A 24 18.736 -9.946 -7.862 1.00 0.41 H new ATOM 0 HE2 PHE A 24 16.928 -8.898 -4.095 1.00 0.37 H new ATOM 0 HZ PHE A 24 16.862 -10.154 -6.238 1.00 0.41 H new ATOM 359 N VAL A 25 20.727 -3.490 -6.095 1.00 0.30 N ATOM 360 CA VAL A 25 19.875 -2.300 -5.799 1.00 0.28 C ATOM 361 C VAL A 25 20.161 -1.211 -6.835 1.00 0.30 C ATOM 362 O VAL A 25 21.025 -0.377 -6.650 1.00 0.31 O ATOM 363 CB VAL A 25 20.206 -1.764 -4.404 1.00 0.24 C ATOM 364 CG1 VAL A 25 19.271 -0.603 -4.064 1.00 0.22 C ATOM 365 CG2 VAL A 25 20.025 -2.874 -3.367 1.00 0.23 C ATOM 0 H VAL A 25 21.623 -3.278 -6.533 1.00 0.30 H new ATOM 0 HA VAL A 25 18.824 -2.586 -5.838 1.00 0.28 H new ATOM 0 HB VAL A 25 21.240 -1.418 -4.392 1.00 0.24 H new ATOM 0 HG11 VAL A 25 19.509 -0.223 -3.070 1.00 0.22 H new ATOM 0 HG12 VAL A 25 19.399 0.194 -4.797 1.00 0.22 H new ATOM 0 HG13 VAL A 25 18.238 -0.950 -4.082 1.00 0.22 H new ATOM 0 HG21 VAL A 25 20.262 -2.488 -2.376 1.00 0.23 H new ATOM 0 HG22 VAL A 25 18.992 -3.223 -3.384 1.00 0.23 H new ATOM 0 HG23 VAL A 25 20.692 -3.704 -3.602 1.00 0.23 H new ATOM 375 N VAL A 26 19.447 -1.214 -7.928 1.00 0.33 N ATOM 376 CA VAL A 26 19.681 -0.184 -8.977 1.00 0.36 C ATOM 377 C VAL A 26 18.888 1.077 -8.647 1.00 0.35 C ATOM 378 O VAL A 26 19.077 2.115 -9.251 1.00 0.37 O ATOM 379 CB VAL A 26 19.226 -0.735 -10.328 1.00 0.41 C ATOM 380 CG1 VAL A 26 20.065 -1.962 -10.685 1.00 0.78 C ATOM 381 CG2 VAL A 26 17.749 -1.130 -10.250 1.00 0.61 C ATOM 0 H VAL A 26 18.710 -1.887 -8.139 1.00 0.33 H new ATOM 0 HA VAL A 26 20.742 0.062 -9.017 1.00 0.36 H new ATOM 0 HB VAL A 26 19.355 0.030 -11.094 1.00 0.41 H new ATOM 0 HG11 VAL A 26 19.742 -2.356 -11.648 1.00 0.78 H new ATOM 0 HG12 VAL A 26 21.116 -1.680 -10.743 1.00 0.78 H new ATOM 0 HG13 VAL A 26 19.936 -2.726 -9.919 1.00 0.78 H new ATOM 0 HG21 VAL A 26 17.426 -1.523 -11.214 1.00 0.61 H new ATOM 0 HG22 VAL A 26 17.617 -1.894 -9.484 1.00 0.61 H new ATOM 0 HG23 VAL A 26 17.151 -0.255 -9.996 1.00 0.61 H new ATOM 391 N ASP A 27 18.003 1.003 -7.694 1.00 0.32 N ATOM 392 CA ASP A 27 17.206 2.209 -7.336 1.00 0.31 C ATOM 393 C ASP A 27 16.432 1.938 -6.051 1.00 0.27 C ATOM 394 O ASP A 27 16.614 0.924 -5.408 1.00 0.25 O ATOM 395 CB ASP A 27 16.225 2.529 -8.467 1.00 0.34 C ATOM 396 CG ASP A 27 15.656 3.935 -8.267 1.00 0.35 C ATOM 397 OD1 ASP A 27 16.409 4.883 -8.414 1.00 1.09 O ATOM 398 OD2 ASP A 27 14.478 4.039 -7.971 1.00 1.13 O ATOM 0 H ASP A 27 17.797 0.165 -7.150 1.00 0.32 H new ATOM 0 HA ASP A 27 17.874 3.057 -7.188 1.00 0.31 H new ATOM 0 HB2 ASP A 27 16.730 2.463 -9.430 1.00 0.34 H new ATOM 0 HB3 ASP A 27 15.418 1.797 -8.480 1.00 0.34 H new ATOM 403 N TYR A 28 15.566 2.835 -5.667 1.00 0.26 N ATOM 404 CA TYR A 28 14.785 2.616 -4.420 1.00 0.23 C ATOM 405 C TYR A 28 13.486 3.415 -4.468 1.00 0.25 C ATOM 406 O TYR A 28 13.157 4.042 -5.456 1.00 0.29 O ATOM 407 CB TYR A 28 15.613 3.029 -3.197 1.00 0.19 C ATOM 408 CG TYR A 28 15.707 4.540 -3.093 1.00 0.21 C ATOM 409 CD1 TYR A 28 16.343 5.283 -4.106 1.00 0.25 C ATOM 410 CD2 TYR A 28 15.168 5.203 -1.970 1.00 0.19 C ATOM 411 CE1 TYR A 28 16.438 6.683 -4.000 1.00 0.26 C ATOM 412 CE2 TYR A 28 15.264 6.601 -1.862 1.00 0.22 C ATOM 413 CZ TYR A 28 15.899 7.343 -2.877 1.00 0.25 C ATOM 414 OH TYR A 28 15.993 8.716 -2.772 1.00 0.28 O ATOM 0 H TYR A 28 15.367 3.705 -6.161 1.00 0.26 H new ATOM 0 HA TYR A 28 14.544 1.556 -4.339 1.00 0.23 H new ATOM 0 HB2 TYR A 28 15.159 2.626 -2.292 1.00 0.19 H new ATOM 0 HB3 TYR A 28 16.613 2.602 -3.269 1.00 0.19 H new ATOM 0 HD1 TYR A 28 16.758 4.778 -4.965 1.00 0.25 H new ATOM 0 HD2 TYR A 28 14.681 4.635 -1.192 1.00 0.19 H new ATOM 0 HE1 TYR A 28 16.924 7.252 -4.779 1.00 0.26 H new ATOM 0 HE2 TYR A 28 14.851 7.106 -1.001 1.00 0.22 H new ATOM 0 HH TYR A 28 16.888 9.005 -3.048 1.00 0.28 H new ATOM 424 N TYR A 29 12.745 3.373 -3.405 1.00 0.23 N ATOM 425 CA TYR A 29 11.452 4.097 -3.354 1.00 0.25 C ATOM 426 C TYR A 29 11.045 4.256 -1.885 1.00 0.22 C ATOM 427 O TYR A 29 11.156 3.335 -1.106 1.00 0.23 O ATOM 428 CB TYR A 29 10.413 3.271 -4.130 1.00 0.29 C ATOM 429 CG TYR A 29 9.010 3.680 -3.748 1.00 0.31 C ATOM 430 CD1 TYR A 29 8.518 4.938 -4.134 1.00 0.36 C ATOM 431 CD2 TYR A 29 8.198 2.801 -3.006 1.00 0.35 C ATOM 432 CE1 TYR A 29 7.212 5.322 -3.777 1.00 0.39 C ATOM 433 CE2 TYR A 29 6.892 3.183 -2.648 1.00 0.38 C ATOM 434 CZ TYR A 29 6.398 4.445 -3.034 1.00 0.36 C ATOM 435 OH TYR A 29 5.117 4.821 -2.683 1.00 0.39 O ATOM 0 H TYR A 29 12.983 2.860 -2.556 1.00 0.23 H new ATOM 0 HA TYR A 29 11.526 5.087 -3.804 1.00 0.25 H new ATOM 0 HB2 TYR A 29 10.558 3.409 -5.201 1.00 0.29 H new ATOM 0 HB3 TYR A 29 10.557 2.210 -3.923 1.00 0.29 H new ATOM 0 HD1 TYR A 29 9.142 5.610 -4.705 1.00 0.36 H new ATOM 0 HD2 TYR A 29 8.578 1.834 -2.712 1.00 0.35 H new ATOM 0 HE1 TYR A 29 6.834 6.289 -4.073 1.00 0.39 H new ATOM 0 HE2 TYR A 29 6.269 2.510 -2.078 1.00 0.38 H new ATOM 0 HH TYR A 29 4.692 4.100 -2.173 1.00 0.39 H new ATOM 445 N GLU A 30 10.579 5.413 -1.493 1.00 0.22 N ATOM 446 CA GLU A 30 10.172 5.609 -0.066 1.00 0.20 C ATOM 447 C GLU A 30 8.667 5.364 0.075 1.00 0.21 C ATOM 448 O GLU A 30 7.919 5.458 -0.878 1.00 0.24 O ATOM 449 CB GLU A 30 10.500 7.040 0.365 1.00 0.22 C ATOM 450 CG GLU A 30 12.006 7.174 0.596 1.00 0.25 C ATOM 451 CD GLU A 30 12.340 8.624 0.955 1.00 0.69 C ATOM 452 OE1 GLU A 30 11.624 9.504 0.507 1.00 1.35 O ATOM 453 OE2 GLU A 30 13.307 8.828 1.671 1.00 1.43 O ATOM 0 H GLU A 30 10.462 6.228 -2.095 1.00 0.22 H new ATOM 0 HA GLU A 30 10.714 4.906 0.567 1.00 0.20 H new ATOM 0 HB2 GLU A 30 10.175 7.745 -0.401 1.00 0.22 H new ATOM 0 HB3 GLU A 30 9.958 7.289 1.278 1.00 0.22 H new ATOM 0 HG2 GLU A 30 12.322 6.507 1.398 1.00 0.25 H new ATOM 0 HG3 GLU A 30 12.550 6.875 -0.300 1.00 0.25 H new ATOM 460 N THR A 31 8.223 5.036 1.257 1.00 0.19 N ATOM 461 CA THR A 31 6.768 4.769 1.471 1.00 0.21 C ATOM 462 C THR A 31 5.976 6.076 1.447 1.00 0.25 C ATOM 463 O THR A 31 6.463 7.109 1.031 1.00 0.27 O ATOM 464 CB THR A 31 6.580 4.102 2.833 1.00 0.20 C ATOM 465 OG1 THR A 31 7.286 4.847 3.809 1.00 0.21 O ATOM 466 CG2 THR A 31 7.115 2.672 2.772 1.00 0.20 C ATOM 0 H THR A 31 8.806 4.940 2.089 1.00 0.19 H new ATOM 0 HA THR A 31 6.406 4.119 0.674 1.00 0.21 H new ATOM 0 HB THR A 31 5.523 4.073 3.096 1.00 0.20 H new ATOM 0 HG1 THR A 31 7.524 5.724 3.442 1.00 0.21 H new ATOM 0 HG21 THR A 31 6.983 2.192 3.742 1.00 0.20 H new ATOM 0 HG22 THR A 31 6.570 2.112 2.013 1.00 0.20 H new ATOM 0 HG23 THR A 31 8.175 2.691 2.518 1.00 0.20 H new ATOM 474 N SER A 32 4.752 6.031 1.900 1.00 0.27 N ATOM 475 CA SER A 32 3.904 7.254 1.922 1.00 0.31 C ATOM 476 C SER A 32 4.153 8.023 3.217 1.00 0.33 C ATOM 477 O SER A 32 5.254 8.072 3.726 1.00 0.33 O ATOM 478 CB SER A 32 2.433 6.846 1.852 1.00 0.33 C ATOM 479 OG SER A 32 1.641 7.993 1.569 1.00 1.27 O ATOM 0 H SER A 32 4.301 5.190 2.259 1.00 0.27 H new ATOM 0 HA SER A 32 4.153 7.887 1.070 1.00 0.31 H new ATOM 0 HB2 SER A 32 2.289 6.091 1.079 1.00 0.33 H new ATOM 0 HB3 SER A 32 2.122 6.399 2.796 1.00 0.33 H new ATOM 0 HG SER A 32 0.844 7.724 1.067 1.00 1.27 H new ATOM 485 N SER A 33 3.126 8.621 3.753 1.00 0.36 N ATOM 486 CA SER A 33 3.271 9.397 5.023 1.00 0.40 C ATOM 487 C SER A 33 2.026 9.174 5.877 1.00 0.40 C ATOM 488 O SER A 33 2.092 9.097 7.088 1.00 0.42 O ATOM 489 CB SER A 33 3.385 10.881 4.692 1.00 0.46 C ATOM 490 OG SER A 33 2.086 11.412 4.462 1.00 0.48 O ATOM 0 H SER A 33 2.183 8.607 3.364 1.00 0.36 H new ATOM 0 HA SER A 33 4.161 9.070 5.561 1.00 0.40 H new ATOM 0 HB2 SER A 33 3.868 11.412 5.512 1.00 0.46 H new ATOM 0 HB3 SER A 33 4.009 11.022 3.810 1.00 0.46 H new ATOM 0 HG SER A 33 2.155 12.366 4.251 1.00 0.48 H new ATOM 496 N LEU A 34 0.894 9.080 5.237 1.00 0.39 N ATOM 497 CA LEU A 34 -0.393 8.866 5.966 1.00 0.39 C ATOM 498 C LEU A 34 -0.193 7.879 7.118 1.00 0.37 C ATOM 499 O LEU A 34 -0.471 8.178 8.263 1.00 0.40 O ATOM 500 CB LEU A 34 -1.435 8.294 4.999 1.00 0.36 C ATOM 501 CG LEU A 34 -1.359 9.018 3.653 1.00 0.39 C ATOM 502 CD1 LEU A 34 -2.516 8.558 2.762 1.00 0.40 C ATOM 503 CD2 LEU A 34 -1.450 10.531 3.878 1.00 0.45 C ATOM 0 H LEU A 34 0.802 9.143 4.223 1.00 0.39 H new ATOM 0 HA LEU A 34 -0.733 9.821 6.365 1.00 0.39 H new ATOM 0 HB2 LEU A 34 -1.263 7.227 4.857 1.00 0.36 H new ATOM 0 HB3 LEU A 34 -2.433 8.402 5.423 1.00 0.36 H new ATOM 0 HG LEU A 34 -0.412 8.784 3.166 1.00 0.39 H new ATOM 0 HD11 LEU A 34 -2.463 9.073 1.803 1.00 0.40 H new ATOM 0 HD12 LEU A 34 -2.446 7.482 2.601 1.00 0.40 H new ATOM 0 HD13 LEU A 34 -3.464 8.791 3.247 1.00 0.40 H new ATOM 0 HD21 LEU A 34 -1.396 11.045 2.919 1.00 0.45 H new ATOM 0 HD22 LEU A 34 -2.395 10.770 4.365 1.00 0.45 H new ATOM 0 HD23 LEU A 34 -0.624 10.855 4.511 1.00 0.45 H new ATOM 515 N CYS A 35 0.283 6.706 6.818 1.00 0.33 N ATOM 516 CA CYS A 35 0.496 5.698 7.890 1.00 0.34 C ATOM 517 C CYS A 35 1.667 6.142 8.775 1.00 0.39 C ATOM 518 O CYS A 35 2.727 6.480 8.297 1.00 0.38 O ATOM 519 CB CYS A 35 0.797 4.333 7.258 1.00 0.32 C ATOM 520 SG CYS A 35 1.869 4.549 5.816 1.00 0.39 S ATOM 0 H CYS A 35 0.534 6.401 5.877 1.00 0.33 H new ATOM 0 HA CYS A 35 -0.402 5.613 8.501 1.00 0.34 H new ATOM 0 HB2 CYS A 35 1.280 3.683 7.987 1.00 0.32 H new ATOM 0 HB3 CYS A 35 -0.132 3.846 6.962 1.00 0.32 H new ATOM 525 N SER A 36 1.466 6.169 10.063 1.00 0.44 N ATOM 526 CA SER A 36 2.549 6.607 10.992 1.00 0.51 C ATOM 527 C SER A 36 3.730 5.621 10.986 1.00 0.51 C ATOM 528 O SER A 36 4.392 5.452 11.991 1.00 0.58 O ATOM 529 CB SER A 36 1.985 6.703 12.409 1.00 0.59 C ATOM 530 OG SER A 36 1.099 7.813 12.487 1.00 1.41 O ATOM 0 H SER A 36 0.592 5.905 10.517 1.00 0.44 H new ATOM 0 HA SER A 36 2.913 7.578 10.657 1.00 0.51 H new ATOM 0 HB2 SER A 36 1.459 5.784 12.667 1.00 0.59 H new ATOM 0 HB3 SER A 36 2.796 6.818 13.129 1.00 0.59 H new ATOM 0 HG SER A 36 0.734 7.877 13.394 1.00 1.41 H new ATOM 536 N GLN A 37 4.017 4.965 9.889 1.00 0.45 N ATOM 537 CA GLN A 37 5.168 4.006 9.892 1.00 0.47 C ATOM 538 C GLN A 37 5.742 3.829 8.479 1.00 0.36 C ATOM 539 O GLN A 37 5.654 2.755 7.920 1.00 0.35 O ATOM 540 CB GLN A 37 4.689 2.649 10.418 1.00 0.55 C ATOM 541 CG GLN A 37 3.362 2.279 9.754 1.00 0.78 C ATOM 542 CD GLN A 37 2.938 0.880 10.205 1.00 0.79 C ATOM 543 OE1 GLN A 37 3.771 0.029 10.448 1.00 1.24 O ATOM 544 NE2 GLN A 37 1.669 0.604 10.329 1.00 1.47 N ATOM 0 H GLN A 37 3.515 5.048 9.005 1.00 0.45 H new ATOM 0 HA GLN A 37 5.952 4.406 10.534 1.00 0.47 H new ATOM 0 HB2 GLN A 37 5.437 1.883 10.211 1.00 0.55 H new ATOM 0 HB3 GLN A 37 4.566 2.690 11.500 1.00 0.55 H new ATOM 0 HG2 GLN A 37 2.595 3.006 10.020 1.00 0.78 H new ATOM 0 HG3 GLN A 37 3.466 2.307 8.669 1.00 0.78 H new ATOM 0 HE21 GLN A 37 0.970 1.318 10.125 1.00 1.47 H new ATOM 0 HE22 GLN A 37 1.376 -0.326 10.630 1.00 1.47 H new ATOM 553 N PRO A 38 6.333 4.874 7.941 1.00 0.34 N ATOM 554 CA PRO A 38 6.942 4.812 6.599 1.00 0.26 C ATOM 555 C PRO A 38 8.205 3.938 6.655 1.00 0.25 C ATOM 556 O PRO A 38 8.603 3.465 7.701 1.00 0.27 O ATOM 557 CB PRO A 38 7.296 6.279 6.260 1.00 0.33 C ATOM 558 CG PRO A 38 7.082 7.119 7.554 1.00 0.43 C ATOM 559 CD PRO A 38 6.436 6.191 8.609 1.00 0.43 C ATOM 0 HA PRO A 38 6.283 4.376 5.848 1.00 0.26 H new ATOM 0 HB2 PRO A 38 8.328 6.356 5.918 1.00 0.33 H new ATOM 0 HB3 PRO A 38 6.665 6.650 5.453 1.00 0.33 H new ATOM 0 HG2 PRO A 38 8.032 7.511 7.918 1.00 0.43 H new ATOM 0 HG3 PRO A 38 6.440 7.976 7.353 1.00 0.43 H new ATOM 0 HD2 PRO A 38 7.047 6.131 9.510 1.00 0.43 H new ATOM 0 HD3 PRO A 38 5.456 6.559 8.912 1.00 0.43 H new ATOM 567 N ALA A 39 8.832 3.735 5.534 1.00 0.23 N ATOM 568 CA ALA A 39 10.065 2.914 5.488 1.00 0.22 C ATOM 569 C ALA A 39 10.718 3.128 4.127 1.00 0.19 C ATOM 570 O ALA A 39 10.122 3.698 3.235 1.00 0.22 O ATOM 571 CB ALA A 39 9.712 1.435 5.659 1.00 0.23 C ATOM 0 H ALA A 39 8.535 4.111 4.633 1.00 0.23 H new ATOM 0 HA ALA A 39 10.743 3.205 6.290 1.00 0.22 H new ATOM 0 HB1 ALA A 39 10.623 0.837 5.624 1.00 0.23 H new ATOM 0 HB2 ALA A 39 9.218 1.288 6.619 1.00 0.23 H new ATOM 0 HB3 ALA A 39 9.044 1.125 4.856 1.00 0.23 H new ATOM 577 N VAL A 40 11.924 2.663 3.941 1.00 0.15 N ATOM 578 CA VAL A 40 12.589 2.833 2.614 1.00 0.13 C ATOM 579 C VAL A 40 12.394 1.539 1.832 1.00 0.13 C ATOM 580 O VAL A 40 12.407 0.460 2.392 1.00 0.18 O ATOM 581 CB VAL A 40 14.086 3.110 2.810 1.00 0.12 C ATOM 582 CG1 VAL A 40 14.838 2.880 1.495 1.00 0.12 C ATOM 583 CG2 VAL A 40 14.271 4.565 3.241 1.00 0.16 C ATOM 0 H VAL A 40 12.476 2.175 4.646 1.00 0.15 H new ATOM 0 HA VAL A 40 12.156 3.674 2.073 1.00 0.13 H new ATOM 0 HB VAL A 40 14.479 2.437 3.572 1.00 0.12 H new ATOM 0 HG11 VAL A 40 15.899 3.079 1.643 1.00 0.12 H new ATOM 0 HG12 VAL A 40 14.704 1.847 1.175 1.00 0.12 H new ATOM 0 HG13 VAL A 40 14.447 3.551 0.730 1.00 0.12 H new ATOM 0 HG21 VAL A 40 15.332 4.770 3.383 1.00 0.16 H new ATOM 0 HG22 VAL A 40 13.873 5.226 2.471 1.00 0.16 H new ATOM 0 HG23 VAL A 40 13.740 4.737 4.177 1.00 0.16 H new ATOM 593 N VAL A 41 12.200 1.642 0.544 1.00 0.15 N ATOM 594 CA VAL A 41 11.985 0.422 -0.296 1.00 0.16 C ATOM 595 C VAL A 41 13.078 0.335 -1.363 1.00 0.16 C ATOM 596 O VAL A 41 13.214 1.204 -2.195 1.00 0.18 O ATOM 597 CB VAL A 41 10.608 0.504 -0.965 1.00 0.21 C ATOM 598 CG1 VAL A 41 10.184 -0.887 -1.433 1.00 0.25 C ATOM 599 CG2 VAL A 41 9.584 1.025 0.047 1.00 0.23 C ATOM 0 H VAL A 41 12.181 2.524 0.032 1.00 0.15 H new ATOM 0 HA VAL A 41 12.029 -0.468 0.332 1.00 0.16 H new ATOM 0 HB VAL A 41 10.660 1.178 -1.820 1.00 0.21 H new ATOM 0 HG11 VAL A 41 9.205 -0.828 -1.909 1.00 0.25 H new ATOM 0 HG12 VAL A 41 10.913 -1.268 -2.149 1.00 0.25 H new ATOM 0 HG13 VAL A 41 10.131 -1.559 -0.576 1.00 0.25 H new ATOM 0 HG21 VAL A 41 8.603 1.085 -0.425 1.00 0.23 H new ATOM 0 HG22 VAL A 41 9.536 0.346 0.898 1.00 0.23 H new ATOM 0 HG23 VAL A 41 9.883 2.016 0.389 1.00 0.23 H new ATOM 609 N PHE A 42 13.868 -0.706 -1.344 1.00 0.15 N ATOM 610 CA PHE A 42 14.960 -0.832 -2.355 1.00 0.17 C ATOM 611 C PHE A 42 14.458 -1.581 -3.591 1.00 0.21 C ATOM 612 O PHE A 42 13.798 -2.597 -3.495 1.00 0.23 O ATOM 613 CB PHE A 42 16.134 -1.611 -1.752 1.00 0.16 C ATOM 614 CG PHE A 42 16.904 -0.734 -0.787 1.00 0.14 C ATOM 615 CD1 PHE A 42 17.559 0.426 -1.251 1.00 0.14 C ATOM 616 CD2 PHE A 42 16.977 -1.083 0.576 1.00 0.13 C ATOM 617 CE1 PHE A 42 18.281 1.234 -0.352 1.00 0.14 C ATOM 618 CE2 PHE A 42 17.701 -0.276 1.472 1.00 0.14 C ATOM 619 CZ PHE A 42 18.353 0.883 1.009 1.00 0.14 C ATOM 0 H PHE A 42 13.805 -1.473 -0.674 1.00 0.15 H new ATOM 0 HA PHE A 42 15.281 0.169 -2.643 1.00 0.17 H new ATOM 0 HB2 PHE A 42 15.765 -2.496 -1.235 1.00 0.16 H new ATOM 0 HB3 PHE A 42 16.795 -1.958 -2.546 1.00 0.16 H new ATOM 0 HD1 PHE A 42 17.507 0.694 -2.296 1.00 0.14 H new ATOM 0 HD2 PHE A 42 16.477 -1.971 0.933 1.00 0.13 H new ATOM 0 HE1 PHE A 42 18.780 2.124 -0.707 1.00 0.14 H new ATOM 0 HE2 PHE A 42 17.757 -0.546 2.516 1.00 0.14 H new ATOM 0 HZ PHE A 42 18.908 1.502 1.698 1.00 0.14 H new ATOM 629 N GLN A 43 14.801 -1.095 -4.755 1.00 0.24 N ATOM 630 CA GLN A 43 14.392 -1.775 -6.019 1.00 0.28 C ATOM 631 C GLN A 43 15.580 -2.623 -6.480 1.00 0.30 C ATOM 632 O GLN A 43 16.671 -2.108 -6.657 1.00 0.30 O ATOM 633 CB GLN A 43 14.057 -0.713 -7.068 1.00 0.32 C ATOM 634 CG GLN A 43 12.843 0.097 -6.606 1.00 0.32 C ATOM 635 CD GLN A 43 12.721 1.364 -7.453 1.00 0.58 C ATOM 636 OE1 GLN A 43 12.317 2.400 -6.962 1.00 1.29 O ATOM 637 NE2 GLN A 43 13.055 1.326 -8.714 1.00 1.31 N ATOM 0 H GLN A 43 15.353 -0.247 -4.885 1.00 0.24 H new ATOM 0 HA GLN A 43 13.514 -2.404 -5.871 1.00 0.28 H new ATOM 0 HB2 GLN A 43 14.912 -0.053 -7.219 1.00 0.32 H new ATOM 0 HB3 GLN A 43 13.847 -1.187 -8.027 1.00 0.32 H new ATOM 0 HG2 GLN A 43 11.937 -0.502 -6.697 1.00 0.32 H new ATOM 0 HG3 GLN A 43 12.947 0.360 -5.553 1.00 0.32 H new ATOM 0 HE21 GLN A 43 13.394 0.457 -9.126 1.00 1.31 H new ATOM 0 HE22 GLN A 43 12.977 2.166 -9.288 1.00 1.31 H new ATOM 646 N THR A 44 15.409 -3.925 -6.631 1.00 0.32 N ATOM 647 CA THR A 44 16.583 -4.784 -7.022 1.00 0.34 C ATOM 648 C THR A 44 16.595 -5.091 -8.518 1.00 0.39 C ATOM 649 O THR A 44 16.020 -4.388 -9.324 1.00 0.41 O ATOM 650 CB THR A 44 16.516 -6.103 -6.255 1.00 0.34 C ATOM 651 OG1 THR A 44 15.621 -6.982 -6.916 1.00 0.38 O ATOM 652 CG2 THR A 44 16.015 -5.836 -4.835 1.00 0.29 C ATOM 0 H THR A 44 14.526 -4.420 -6.503 1.00 0.32 H new ATOM 0 HA THR A 44 17.492 -4.233 -6.779 1.00 0.34 H new ATOM 0 HB THR A 44 17.507 -6.556 -6.212 1.00 0.34 H new ATOM 0 HG1 THR A 44 15.961 -7.899 -6.858 1.00 0.38 H new ATOM 0 HG21 THR A 44 15.966 -6.775 -4.284 1.00 0.29 H new ATOM 0 HG22 THR A 44 16.699 -5.154 -4.330 1.00 0.29 H new ATOM 0 HG23 THR A 44 15.022 -5.388 -4.878 1.00 0.29 H new ATOM 660 N LYS A 45 17.280 -6.152 -8.879 1.00 0.43 N ATOM 661 CA LYS A 45 17.391 -6.558 -10.314 1.00 0.48 C ATOM 662 C LYS A 45 16.651 -7.881 -10.541 1.00 0.51 C ATOM 663 O LYS A 45 16.279 -8.202 -11.652 1.00 0.56 O ATOM 664 CB LYS A 45 18.873 -6.757 -10.663 1.00 0.50 C ATOM 665 CG LYS A 45 19.707 -5.604 -10.101 1.00 0.46 C ATOM 666 CD LYS A 45 21.181 -5.833 -10.447 1.00 0.49 C ATOM 667 CE LYS A 45 22.005 -4.605 -10.049 1.00 0.54 C ATOM 668 NZ LYS A 45 23.444 -4.983 -9.955 1.00 1.55 N ATOM 0 H LYS A 45 17.774 -6.762 -8.227 1.00 0.43 H new ATOM 0 HA LYS A 45 16.952 -5.783 -10.942 1.00 0.48 H new ATOM 0 HB2 LYS A 45 19.226 -7.704 -10.255 1.00 0.50 H new ATOM 0 HB3 LYS A 45 18.995 -6.811 -11.745 1.00 0.50 H new ATOM 0 HG2 LYS A 45 19.366 -4.656 -10.518 1.00 0.46 H new ATOM 0 HG3 LYS A 45 19.580 -5.541 -9.020 1.00 0.46 H new ATOM 0 HD2 LYS A 45 21.553 -6.716 -9.927 1.00 0.49 H new ATOM 0 HD3 LYS A 45 21.288 -6.023 -11.515 1.00 0.49 H new ATOM 0 HE2 LYS A 45 21.874 -3.811 -10.784 1.00 0.54 H new ATOM 0 HE3 LYS A 45 21.657 -4.214 -9.093 1.00 0.54 H new ATOM 0 HZ1 LYS A 45 23.972 -4.224 -9.478 1.00 1.55 H new ATOM 0 HZ2 LYS A 45 23.537 -5.864 -9.411 1.00 1.55 H new ATOM 0 HZ3 LYS A 45 23.829 -5.125 -10.911 1.00 1.55 H new ATOM 682 N ARG A 46 16.449 -8.660 -9.500 1.00 0.50 N ATOM 683 CA ARG A 46 15.746 -9.978 -9.658 1.00 0.54 C ATOM 684 C ARG A 46 14.580 -10.033 -8.663 1.00 0.49 C ATOM 685 O ARG A 46 14.401 -10.986 -7.936 1.00 0.48 O ATOM 686 CB ARG A 46 16.752 -11.115 -9.378 1.00 0.59 C ATOM 687 CG ARG A 46 16.317 -12.434 -10.056 1.00 0.72 C ATOM 688 CD ARG A 46 15.196 -13.129 -9.270 1.00 0.92 C ATOM 689 NE ARG A 46 15.143 -14.565 -9.664 1.00 1.48 N ATOM 690 CZ ARG A 46 14.482 -15.419 -8.932 1.00 2.13 C ATOM 691 NH1 ARG A 46 13.870 -15.017 -7.853 1.00 2.62 N ATOM 692 NH2 ARG A 46 14.436 -16.677 -9.279 1.00 2.82 N ATOM 0 H ARG A 46 16.741 -8.440 -8.548 1.00 0.50 H new ATOM 0 HA ARG A 46 15.357 -10.092 -10.670 1.00 0.54 H new ATOM 0 HB2 ARG A 46 17.739 -10.827 -9.740 1.00 0.59 H new ATOM 0 HB3 ARG A 46 16.839 -11.269 -8.302 1.00 0.59 H new ATOM 0 HG2 ARG A 46 15.977 -12.227 -11.071 1.00 0.72 H new ATOM 0 HG3 ARG A 46 17.174 -13.102 -10.137 1.00 0.72 H new ATOM 0 HD2 ARG A 46 15.376 -13.039 -8.199 1.00 0.92 H new ATOM 0 HD3 ARG A 46 14.240 -12.648 -9.474 1.00 0.92 H new ATOM 0 HE ARG A 46 15.624 -14.881 -10.506 1.00 1.48 H new ATOM 0 HH11 ARG A 46 13.908 -14.035 -7.581 1.00 2.62 H new ATOM 0 HH12 ARG A 46 13.353 -15.685 -7.281 1.00 2.62 H new ATOM 0 HH21 ARG A 46 14.917 -16.991 -10.122 1.00 2.82 H new ATOM 0 HH22 ARG A 46 13.919 -17.345 -8.707 1.00 2.82 H new ATOM 706 N SER A 47 13.780 -9.006 -8.635 1.00 0.46 N ATOM 707 CA SER A 47 12.616 -8.978 -7.720 1.00 0.42 C ATOM 708 C SER A 47 11.749 -7.787 -8.111 1.00 0.42 C ATOM 709 O SER A 47 11.302 -7.675 -9.235 1.00 0.46 O ATOM 710 CB SER A 47 13.076 -8.852 -6.261 1.00 0.38 C ATOM 711 OG SER A 47 13.559 -7.538 -6.024 1.00 1.07 O ATOM 0 H SER A 47 13.888 -8.175 -9.217 1.00 0.46 H new ATOM 0 HA SER A 47 12.049 -9.905 -7.803 1.00 0.42 H new ATOM 0 HB2 SER A 47 12.247 -9.072 -5.588 1.00 0.38 H new ATOM 0 HB3 SER A 47 13.859 -9.581 -6.052 1.00 0.38 H new ATOM 0 HG SER A 47 14.449 -7.440 -6.423 1.00 1.07 H new ATOM 717 N LYS A 48 11.533 -6.888 -7.209 1.00 0.38 N ATOM 718 CA LYS A 48 10.724 -5.688 -7.530 1.00 0.40 C ATOM 719 C LYS A 48 11.011 -4.631 -6.467 1.00 0.35 C ATOM 720 O LYS A 48 11.947 -3.870 -6.589 1.00 0.34 O ATOM 721 CB LYS A 48 9.217 -6.029 -7.593 1.00 0.44 C ATOM 722 CG LYS A 48 8.852 -7.179 -6.637 1.00 1.11 C ATOM 723 CD LYS A 48 7.403 -7.617 -6.899 1.00 1.38 C ATOM 724 CE LYS A 48 6.453 -6.420 -6.783 1.00 2.13 C ATOM 725 NZ LYS A 48 5.072 -6.911 -6.507 1.00 2.73 N ATOM 0 H LYS A 48 11.884 -6.930 -6.252 1.00 0.38 H new ATOM 0 HA LYS A 48 10.996 -5.307 -8.514 1.00 0.40 H new ATOM 0 HB2 LYS A 48 8.633 -5.145 -7.338 1.00 0.44 H new ATOM 0 HB3 LYS A 48 8.949 -6.305 -8.613 1.00 0.44 H new ATOM 0 HG2 LYS A 48 9.530 -8.019 -6.785 1.00 1.11 H new ATOM 0 HG3 LYS A 48 8.965 -6.856 -5.602 1.00 1.11 H new ATOM 0 HD2 LYS A 48 7.324 -8.057 -7.893 1.00 1.38 H new ATOM 0 HD3 LYS A 48 7.115 -8.388 -6.185 1.00 1.38 H new ATOM 0 HE2 LYS A 48 6.782 -5.756 -5.983 1.00 2.13 H new ATOM 0 HE3 LYS A 48 6.467 -5.839 -7.705 1.00 2.13 H new ATOM 0 HZ1 LYS A 48 4.425 -6.101 -6.428 1.00 2.73 H new ATOM 0 HZ2 LYS A 48 4.761 -7.528 -7.284 1.00 2.73 H new ATOM 0 HZ3 LYS A 48 5.066 -7.447 -5.616 1.00 2.73 H new ATOM 739 N GLN A 49 10.227 -4.597 -5.416 1.00 0.33 N ATOM 740 CA GLN A 49 10.450 -3.605 -4.315 1.00 0.30 C ATOM 741 C GLN A 49 10.710 -4.380 -3.008 1.00 0.25 C ATOM 742 O GLN A 49 10.164 -5.447 -2.782 1.00 0.26 O ATOM 743 CB GLN A 49 9.206 -2.689 -4.163 1.00 0.35 C ATOM 744 CG GLN A 49 8.339 -2.734 -5.426 1.00 0.82 C ATOM 745 CD GLN A 49 9.144 -2.221 -6.621 1.00 0.89 C ATOM 746 OE1 GLN A 49 9.353 -2.934 -7.582 1.00 1.53 O ATOM 747 NE2 GLN A 49 9.605 -1.000 -6.603 1.00 1.52 N ATOM 0 H GLN A 49 9.433 -5.221 -5.272 1.00 0.33 H new ATOM 0 HA GLN A 49 11.308 -2.974 -4.547 1.00 0.30 H new ATOM 0 HB2 GLN A 49 8.618 -3.006 -3.302 1.00 0.35 H new ATOM 0 HB3 GLN A 49 9.525 -1.664 -3.972 1.00 0.35 H new ATOM 0 HG2 GLN A 49 8.003 -3.754 -5.612 1.00 0.82 H new ATOM 0 HG3 GLN A 49 7.446 -2.124 -5.288 1.00 0.82 H new ATOM 0 HE21 GLN A 49 9.430 -0.401 -5.796 1.00 1.52 H new ATOM 0 HE22 GLN A 49 10.140 -0.645 -7.395 1.00 1.52 H new ATOM 756 N VAL A 50 11.548 -3.853 -2.148 1.00 0.23 N ATOM 757 CA VAL A 50 11.855 -4.549 -0.857 1.00 0.19 C ATOM 758 C VAL A 50 11.894 -3.525 0.268 1.00 0.16 C ATOM 759 O VAL A 50 12.675 -2.601 0.240 1.00 0.15 O ATOM 760 CB VAL A 50 13.213 -5.243 -0.958 1.00 0.22 C ATOM 761 CG1 VAL A 50 13.402 -6.169 0.245 1.00 0.24 C ATOM 762 CG2 VAL A 50 13.267 -6.051 -2.257 1.00 0.31 C ATOM 0 H VAL A 50 12.035 -2.967 -2.285 1.00 0.23 H new ATOM 0 HA VAL A 50 11.084 -5.292 -0.652 1.00 0.19 H new ATOM 0 HB VAL A 50 14.011 -4.500 -0.962 1.00 0.22 H new ATOM 0 HG11 VAL A 50 14.370 -6.665 0.174 1.00 0.24 H new ATOM 0 HG12 VAL A 50 13.360 -5.585 1.164 1.00 0.24 H new ATOM 0 HG13 VAL A 50 12.611 -6.919 0.255 1.00 0.24 H new ATOM 0 HG21 VAL A 50 14.233 -6.549 -2.336 1.00 0.31 H new ATOM 0 HG22 VAL A 50 12.473 -6.798 -2.254 1.00 0.31 H new ATOM 0 HG23 VAL A 50 13.133 -5.382 -3.107 1.00 0.31 H new ATOM 772 N CYS A 51 11.065 -3.689 1.258 1.00 0.16 N ATOM 773 CA CYS A 51 11.045 -2.717 2.385 1.00 0.15 C ATOM 774 C CYS A 51 12.300 -2.896 3.236 1.00 0.14 C ATOM 775 O CYS A 51 12.853 -3.973 3.332 1.00 0.16 O ATOM 776 CB CYS A 51 9.806 -2.974 3.240 1.00 0.17 C ATOM 777 SG CYS A 51 8.319 -2.646 2.261 1.00 0.21 S ATOM 0 H CYS A 51 10.398 -4.457 1.336 1.00 0.16 H new ATOM 0 HA CYS A 51 11.019 -1.700 1.995 1.00 0.15 H new ATOM 0 HB2 CYS A 51 9.802 -4.005 3.593 1.00 0.17 H new ATOM 0 HB3 CYS A 51 9.821 -2.335 4.123 1.00 0.17 H new ATOM 782 N ALA A 52 12.762 -1.835 3.846 1.00 0.12 N ATOM 783 CA ALA A 52 13.994 -1.920 4.686 1.00 0.13 C ATOM 784 C ALA A 52 13.832 -1.024 5.917 1.00 0.15 C ATOM 785 O ALA A 52 13.380 0.103 5.823 1.00 0.15 O ATOM 786 CB ALA A 52 15.195 -1.439 3.869 1.00 0.11 C ATOM 0 H ALA A 52 12.337 -0.909 3.798 1.00 0.12 H new ATOM 0 HA ALA A 52 14.151 -2.951 5.001 1.00 0.13 H new ATOM 0 HB1 ALA A 52 16.097 -1.499 4.478 1.00 0.11 H new ATOM 0 HB2 ALA A 52 15.310 -2.068 2.987 1.00 0.11 H new ATOM 0 HB3 ALA A 52 15.034 -0.406 3.560 1.00 0.11 H new ATOM 792 N ASP A 53 14.198 -1.517 7.068 1.00 0.18 N ATOM 793 CA ASP A 53 14.068 -0.703 8.309 1.00 0.22 C ATOM 794 C ASP A 53 15.077 0.471 8.261 1.00 0.21 C ATOM 795 O ASP A 53 16.265 0.222 8.230 1.00 0.22 O ATOM 796 CB ASP A 53 14.397 -1.588 9.516 1.00 0.27 C ATOM 797 CG ASP A 53 13.978 -0.877 10.803 1.00 1.35 C ATOM 798 OD1 ASP A 53 13.127 -0.006 10.725 1.00 2.17 O ATOM 799 OD2 ASP A 53 14.515 -1.215 11.845 1.00 2.10 O ATOM 0 H ASP A 53 14.583 -2.452 7.203 1.00 0.18 H new ATOM 0 HA ASP A 53 13.053 -0.314 8.390 1.00 0.22 H new ATOM 0 HB2 ASP A 53 13.879 -2.543 9.431 1.00 0.27 H new ATOM 0 HB3 ASP A 53 15.465 -1.806 9.540 1.00 0.27 H new ATOM 804 N PRO A 54 14.616 1.718 8.253 1.00 0.22 N ATOM 805 CA PRO A 54 15.549 2.866 8.206 1.00 0.24 C ATOM 806 C PRO A 54 16.465 2.859 9.441 1.00 0.28 C ATOM 807 O PRO A 54 17.379 3.652 9.552 1.00 0.30 O ATOM 808 CB PRO A 54 14.645 4.121 8.198 1.00 0.27 C ATOM 809 CG PRO A 54 13.167 3.639 8.246 1.00 0.27 C ATOM 810 CD PRO A 54 13.180 2.095 8.286 1.00 0.24 C ATOM 0 HA PRO A 54 16.201 2.833 7.333 1.00 0.24 H new ATOM 0 HB2 PRO A 54 14.868 4.758 9.054 1.00 0.27 H new ATOM 0 HB3 PRO A 54 14.824 4.716 7.303 1.00 0.27 H new ATOM 0 HG2 PRO A 54 12.662 4.040 9.124 1.00 0.27 H new ATOM 0 HG3 PRO A 54 12.620 3.995 7.373 1.00 0.27 H new ATOM 0 HD2 PRO A 54 12.695 1.720 9.187 1.00 0.24 H new ATOM 0 HD3 PRO A 54 12.643 1.674 7.436 1.00 0.24 H new ATOM 818 N SER A 55 16.214 1.986 10.373 1.00 0.31 N ATOM 819 CA SER A 55 17.055 1.946 11.605 1.00 0.36 C ATOM 820 C SER A 55 18.397 1.271 11.307 1.00 0.36 C ATOM 821 O SER A 55 19.358 1.443 12.032 1.00 0.40 O ATOM 822 CB SER A 55 16.322 1.162 12.692 1.00 0.40 C ATOM 823 OG SER A 55 16.938 1.415 13.949 1.00 1.42 O ATOM 0 H SER A 55 15.463 1.297 10.338 1.00 0.31 H new ATOM 0 HA SER A 55 17.239 2.965 11.944 1.00 0.36 H new ATOM 0 HB2 SER A 55 15.272 1.455 12.723 1.00 0.40 H new ATOM 0 HB3 SER A 55 16.349 0.095 12.469 1.00 0.40 H new ATOM 0 HG SER A 55 16.469 0.915 14.649 1.00 1.42 H new ATOM 829 N GLU A 56 18.481 0.508 10.251 1.00 0.33 N ATOM 830 CA GLU A 56 19.772 -0.166 9.924 1.00 0.34 C ATOM 831 C GLU A 56 20.691 0.825 9.198 1.00 0.33 C ATOM 832 O GLU A 56 20.364 1.354 8.155 1.00 0.29 O ATOM 833 CB GLU A 56 19.501 -1.380 9.033 1.00 0.31 C ATOM 834 CG GLU A 56 19.034 -2.560 9.891 1.00 0.35 C ATOM 835 CD GLU A 56 18.430 -3.640 8.990 1.00 1.30 C ATOM 836 OE1 GLU A 56 18.436 -3.449 7.785 1.00 2.01 O ATOM 837 OE2 GLU A 56 17.972 -4.638 9.521 1.00 2.08 O ATOM 0 H GLU A 56 17.716 0.322 9.603 1.00 0.33 H new ATOM 0 HA GLU A 56 20.258 -0.499 10.841 1.00 0.34 H new ATOM 0 HB2 GLU A 56 18.741 -1.135 8.291 1.00 0.31 H new ATOM 0 HB3 GLU A 56 20.405 -1.651 8.487 1.00 0.31 H new ATOM 0 HG2 GLU A 56 19.873 -2.969 10.454 1.00 0.35 H new ATOM 0 HG3 GLU A 56 18.296 -2.224 10.619 1.00 0.35 H new ATOM 844 N SER A 57 21.832 1.087 9.767 1.00 0.37 N ATOM 845 CA SER A 57 22.793 2.051 9.158 1.00 0.38 C ATOM 846 C SER A 57 23.042 1.749 7.676 1.00 0.35 C ATOM 847 O SER A 57 23.132 2.650 6.867 1.00 0.34 O ATOM 848 CB SER A 57 24.120 1.979 9.914 1.00 0.44 C ATOM 849 OG SER A 57 23.931 2.448 11.242 1.00 1.37 O ATOM 0 H SER A 57 22.146 0.668 10.642 1.00 0.37 H new ATOM 0 HA SER A 57 22.361 3.049 9.230 1.00 0.38 H new ATOM 0 HB2 SER A 57 24.489 0.953 9.928 1.00 0.44 H new ATOM 0 HB3 SER A 57 24.873 2.582 9.407 1.00 0.44 H new ATOM 0 HG SER A 57 24.780 2.401 11.729 1.00 1.37 H new ATOM 855 N TRP A 58 23.184 0.505 7.308 1.00 0.34 N ATOM 856 CA TRP A 58 23.459 0.200 5.874 1.00 0.32 C ATOM 857 C TRP A 58 22.319 0.724 5.003 1.00 0.27 C ATOM 858 O TRP A 58 22.507 1.048 3.849 1.00 0.27 O ATOM 859 CB TRP A 58 23.672 -1.310 5.673 1.00 0.34 C ATOM 860 CG TRP A 58 22.373 -2.053 5.655 1.00 0.31 C ATOM 861 CD1 TRP A 58 21.887 -2.781 6.686 1.00 0.32 C ATOM 862 CD2 TRP A 58 21.411 -2.190 4.567 1.00 0.27 C ATOM 863 NE1 TRP A 58 20.686 -3.352 6.305 1.00 0.29 N ATOM 864 CE2 TRP A 58 20.345 -3.016 5.013 1.00 0.26 C ATOM 865 CE3 TRP A 58 21.353 -1.679 3.249 1.00 0.27 C ATOM 866 CZ2 TRP A 58 19.261 -3.328 4.183 1.00 0.25 C ATOM 867 CZ3 TRP A 58 20.263 -1.991 2.409 1.00 0.27 C ATOM 868 CH2 TRP A 58 19.218 -2.814 2.878 1.00 0.26 C ATOM 0 H TRP A 58 23.123 -0.303 7.927 1.00 0.34 H new ATOM 0 HA TRP A 58 24.377 0.703 5.572 1.00 0.32 H new ATOM 0 HB2 TRP A 58 24.203 -1.481 4.736 1.00 0.34 H new ATOM 0 HB3 TRP A 58 24.303 -1.698 6.473 1.00 0.34 H new ATOM 0 HD1 TRP A 58 22.360 -2.898 7.650 1.00 0.32 H new ATOM 0 HE1 TRP A 58 20.121 -3.950 6.908 1.00 0.29 H new ATOM 0 HE3 TRP A 58 22.148 -1.046 2.883 1.00 0.27 H new ATOM 0 HZ2 TRP A 58 18.463 -3.960 4.545 1.00 0.25 H new ATOM 0 HZ3 TRP A 58 20.229 -1.598 1.404 1.00 0.27 H new ATOM 0 HH2 TRP A 58 18.384 -3.049 2.233 1.00 0.26 H new ATOM 879 N VAL A 59 21.142 0.833 5.547 1.00 0.24 N ATOM 880 CA VAL A 59 20.009 1.359 4.743 1.00 0.20 C ATOM 881 C VAL A 59 20.228 2.848 4.502 1.00 0.22 C ATOM 882 O VAL A 59 20.113 3.334 3.396 1.00 0.21 O ATOM 883 CB VAL A 59 18.703 1.142 5.505 1.00 0.19 C ATOM 884 CG1 VAL A 59 17.530 1.720 4.706 1.00 0.18 C ATOM 885 CG2 VAL A 59 18.504 -0.360 5.709 1.00 0.19 C ATOM 0 H VAL A 59 20.916 0.582 6.509 1.00 0.24 H new ATOM 0 HA VAL A 59 19.953 0.838 3.787 1.00 0.20 H new ATOM 0 HB VAL A 59 18.747 1.646 6.470 1.00 0.19 H new ATOM 0 HG11 VAL A 59 16.602 1.561 5.256 1.00 0.18 H new ATOM 0 HG12 VAL A 59 17.684 2.788 4.555 1.00 0.18 H new ATOM 0 HG13 VAL A 59 17.468 1.222 3.738 1.00 0.18 H new ATOM 0 HG21 VAL A 59 17.575 -0.533 6.252 1.00 0.19 H new ATOM 0 HG22 VAL A 59 18.455 -0.856 4.739 1.00 0.19 H new ATOM 0 HG23 VAL A 59 19.340 -0.763 6.281 1.00 0.19 H new ATOM 895 N GLN A 60 20.556 3.576 5.530 1.00 0.25 N ATOM 896 CA GLN A 60 20.795 5.036 5.357 1.00 0.28 C ATOM 897 C GLN A 60 22.007 5.252 4.446 1.00 0.30 C ATOM 898 O GLN A 60 22.039 6.162 3.643 1.00 0.31 O ATOM 899 CB GLN A 60 21.060 5.675 6.723 1.00 0.33 C ATOM 900 CG GLN A 60 19.844 5.466 7.628 1.00 1.25 C ATOM 901 CD GLN A 60 20.017 6.281 8.911 1.00 1.65 C ATOM 902 OE1 GLN A 60 19.047 6.669 9.533 1.00 2.33 O ATOM 903 NE2 GLN A 60 21.219 6.561 9.336 1.00 2.14 N ATOM 0 H GLN A 60 20.669 3.226 6.481 1.00 0.25 H new ATOM 0 HA GLN A 60 19.917 5.497 4.905 1.00 0.28 H new ATOM 0 HB2 GLN A 60 21.946 5.232 7.178 1.00 0.33 H new ATOM 0 HB3 GLN A 60 21.261 6.740 6.606 1.00 0.33 H new ATOM 0 HG2 GLN A 60 18.935 5.772 7.110 1.00 1.25 H new ATOM 0 HG3 GLN A 60 19.734 4.409 7.868 1.00 1.25 H new ATOM 0 HE21 GLN A 60 22.033 6.236 8.814 1.00 2.14 H new ATOM 0 HE22 GLN A 60 21.344 7.105 10.190 1.00 2.14 H new ATOM 912 N GLU A 61 23.007 4.422 4.572 1.00 0.31 N ATOM 913 CA GLU A 61 24.225 4.577 3.721 1.00 0.33 C ATOM 914 C GLU A 61 23.872 4.336 2.250 1.00 0.31 C ATOM 915 O GLU A 61 24.241 5.100 1.381 1.00 0.32 O ATOM 916 CB GLU A 61 25.284 3.566 4.161 1.00 0.35 C ATOM 917 CG GLU A 61 26.598 3.853 3.431 1.00 0.40 C ATOM 918 CD GLU A 61 27.688 2.915 3.952 1.00 1.29 C ATOM 919 OE1 GLU A 61 28.264 3.222 4.982 1.00 2.03 O ATOM 920 OE2 GLU A 61 27.928 1.904 3.312 1.00 1.99 O ATOM 0 H GLU A 61 23.034 3.642 5.228 1.00 0.31 H new ATOM 0 HA GLU A 61 24.613 5.590 3.834 1.00 0.33 H new ATOM 0 HB2 GLU A 61 25.434 3.626 5.239 1.00 0.35 H new ATOM 0 HB3 GLU A 61 24.948 2.553 3.942 1.00 0.35 H new ATOM 0 HG2 GLU A 61 26.467 3.715 2.358 1.00 0.40 H new ATOM 0 HG3 GLU A 61 26.893 4.891 3.585 1.00 0.40 H new ATOM 927 N TYR A 62 23.167 3.278 1.966 1.00 0.28 N ATOM 928 CA TYR A 62 22.796 2.983 0.551 1.00 0.28 C ATOM 929 C TYR A 62 21.927 4.118 0.001 1.00 0.28 C ATOM 930 O TYR A 62 22.011 4.467 -1.160 1.00 0.30 O ATOM 931 CB TYR A 62 22.023 1.655 0.482 1.00 0.25 C ATOM 932 CG TYR A 62 22.983 0.477 0.465 1.00 0.27 C ATOM 933 CD1 TYR A 62 24.021 0.379 1.418 1.00 0.29 C ATOM 934 CD2 TYR A 62 22.838 -0.529 -0.514 1.00 0.27 C ATOM 935 CE1 TYR A 62 24.905 -0.716 1.387 1.00 0.32 C ATOM 936 CE2 TYR A 62 23.721 -1.622 -0.541 1.00 0.29 C ATOM 937 CZ TYR A 62 24.755 -1.716 0.408 1.00 0.31 C ATOM 938 OH TYR A 62 25.624 -2.787 0.379 1.00 0.34 O ATOM 0 H TYR A 62 22.830 2.603 2.652 1.00 0.28 H new ATOM 0 HA TYR A 62 23.702 2.900 -0.049 1.00 0.28 H new ATOM 0 HB2 TYR A 62 21.353 1.573 1.338 1.00 0.25 H new ATOM 0 HB3 TYR A 62 21.400 1.637 -0.412 1.00 0.25 H new ATOM 0 HD1 TYR A 62 24.136 1.145 2.171 1.00 0.29 H new ATOM 0 HD2 TYR A 62 22.046 -0.459 -1.245 1.00 0.27 H new ATOM 0 HE1 TYR A 62 25.699 -0.789 2.115 1.00 0.32 H new ATOM 0 HE2 TYR A 62 23.606 -2.390 -1.291 1.00 0.29 H new ATOM 0 HH TYR A 62 25.381 -3.386 -0.358 1.00 0.34 H new ATOM 948 N VAL A 63 21.105 4.703 0.823 1.00 0.27 N ATOM 949 CA VAL A 63 20.250 5.818 0.343 1.00 0.28 C ATOM 950 C VAL A 63 21.155 6.979 -0.041 1.00 0.32 C ATOM 951 O VAL A 63 20.948 7.649 -1.030 1.00 0.34 O ATOM 952 CB VAL A 63 19.297 6.246 1.462 1.00 0.28 C ATOM 953 CG1 VAL A 63 18.587 7.545 1.074 1.00 0.32 C ATOM 954 CG2 VAL A 63 18.257 5.146 1.689 1.00 0.25 C ATOM 0 H VAL A 63 20.989 4.457 1.806 1.00 0.27 H new ATOM 0 HA VAL A 63 19.661 5.504 -0.519 1.00 0.28 H new ATOM 0 HB VAL A 63 19.867 6.409 2.377 1.00 0.28 H new ATOM 0 HG11 VAL A 63 17.911 7.843 1.875 1.00 0.32 H new ATOM 0 HG12 VAL A 63 19.326 8.329 0.912 1.00 0.32 H new ATOM 0 HG13 VAL A 63 18.018 7.389 0.158 1.00 0.32 H new ATOM 0 HG21 VAL A 63 17.577 5.447 2.485 1.00 0.25 H new ATOM 0 HG22 VAL A 63 17.692 4.984 0.771 1.00 0.25 H new ATOM 0 HG23 VAL A 63 18.761 4.222 1.973 1.00 0.25 H new ATOM 964 N TYR A 64 22.166 7.214 0.743 1.00 0.34 N ATOM 965 CA TYR A 64 23.098 8.324 0.437 1.00 0.38 C ATOM 966 C TYR A 64 23.799 8.039 -0.889 1.00 0.38 C ATOM 967 O TYR A 64 23.948 8.903 -1.729 1.00 0.41 O ATOM 968 CB TYR A 64 24.140 8.431 1.553 1.00 0.41 C ATOM 969 CG TYR A 64 24.823 9.778 1.489 1.00 0.46 C ATOM 970 CD1 TYR A 64 24.144 10.932 1.924 1.00 0.48 C ATOM 971 CD2 TYR A 64 26.139 9.881 0.994 1.00 0.49 C ATOM 972 CE1 TYR A 64 24.779 12.188 1.865 1.00 0.52 C ATOM 973 CE2 TYR A 64 26.773 11.136 0.934 1.00 0.54 C ATOM 974 CZ TYR A 64 26.094 12.289 1.371 1.00 0.55 C ATOM 975 OH TYR A 64 26.716 13.520 1.312 1.00 0.60 O ATOM 0 H TYR A 64 22.386 6.682 1.585 1.00 0.34 H new ATOM 0 HA TYR A 64 22.546 9.261 0.364 1.00 0.38 H new ATOM 0 HB2 TYR A 64 23.661 8.302 2.524 1.00 0.41 H new ATOM 0 HB3 TYR A 64 24.877 7.634 1.452 1.00 0.41 H new ATOM 0 HD1 TYR A 64 23.136 10.854 2.303 1.00 0.48 H new ATOM 0 HD2 TYR A 64 26.661 8.996 0.661 1.00 0.49 H new ATOM 0 HE1 TYR A 64 24.258 13.073 2.198 1.00 0.52 H new ATOM 0 HE2 TYR A 64 27.780 11.214 0.553 1.00 0.54 H new ATOM 0 HH TYR A 64 27.619 13.413 0.948 1.00 0.60 H new ATOM 985 N ASP A 65 24.234 6.828 -1.072 1.00 0.36 N ATOM 986 CA ASP A 65 24.934 6.460 -2.334 1.00 0.37 C ATOM 987 C ASP A 65 23.987 6.645 -3.523 1.00 0.37 C ATOM 988 O ASP A 65 24.395 7.031 -4.601 1.00 0.40 O ATOM 989 CB ASP A 65 25.377 4.995 -2.251 1.00 0.35 C ATOM 990 CG ASP A 65 26.640 4.883 -1.394 1.00 0.39 C ATOM 991 OD1 ASP A 65 27.664 5.397 -1.814 1.00 1.15 O ATOM 992 OD2 ASP A 65 26.562 4.285 -0.334 1.00 1.11 O ATOM 0 H ASP A 65 24.135 6.069 -0.397 1.00 0.36 H new ATOM 0 HA ASP A 65 25.805 7.101 -2.470 1.00 0.37 H new ATOM 0 HB2 ASP A 65 24.580 4.388 -1.821 1.00 0.35 H new ATOM 0 HB3 ASP A 65 25.569 4.606 -3.251 1.00 0.35 H new ATOM 997 N LEU A 66 22.730 6.369 -3.333 1.00 0.33 N ATOM 998 CA LEU A 66 21.753 6.522 -4.445 1.00 0.34 C ATOM 999 C LEU A 66 21.509 8.010 -4.713 1.00 0.39 C ATOM 1000 O LEU A 66 21.215 8.412 -5.821 1.00 0.42 O ATOM 1001 CB LEU A 66 20.439 5.841 -4.043 1.00 0.31 C ATOM 1002 CG LEU A 66 20.538 4.317 -4.270 1.00 0.28 C ATOM 1003 CD1 LEU A 66 19.501 3.597 -3.405 1.00 0.24 C ATOM 1004 CD2 LEU A 66 20.262 3.976 -5.744 1.00 0.30 C ATOM 0 H LEU A 66 22.334 6.042 -2.451 1.00 0.33 H new ATOM 0 HA LEU A 66 22.144 6.060 -5.352 1.00 0.34 H new ATOM 0 HB2 LEU A 66 20.220 6.047 -2.995 1.00 0.31 H new ATOM 0 HB3 LEU A 66 19.615 6.250 -4.627 1.00 0.31 H new ATOM 0 HG LEU A 66 21.544 3.995 -4.001 1.00 0.28 H new ATOM 0 HD11 LEU A 66 19.574 2.522 -3.568 1.00 0.24 H new ATOM 0 HD12 LEU A 66 19.687 3.818 -2.354 1.00 0.24 H new ATOM 0 HD13 LEU A 66 18.502 3.938 -3.676 1.00 0.24 H new ATOM 0 HD21 LEU A 66 20.336 2.898 -5.888 1.00 0.30 H new ATOM 0 HD22 LEU A 66 19.260 4.311 -6.013 1.00 0.30 H new ATOM 0 HD23 LEU A 66 20.994 4.477 -6.377 1.00 0.30 H new ATOM 1016 N GLU A 67 21.635 8.828 -3.709 1.00 0.40 N ATOM 1017 CA GLU A 67 21.419 10.291 -3.906 1.00 0.45 C ATOM 1018 C GLU A 67 22.592 10.866 -4.695 1.00 0.50 C ATOM 1019 O GLU A 67 22.457 11.834 -5.417 1.00 0.55 O ATOM 1020 CB GLU A 67 21.342 10.979 -2.542 1.00 0.46 C ATOM 1021 CG GLU A 67 20.063 10.549 -1.817 1.00 0.44 C ATOM 1022 CD GLU A 67 18.871 11.358 -2.338 1.00 1.13 C ATOM 1023 OE1 GLU A 67 18.611 12.415 -1.786 1.00 1.88 O ATOM 1024 OE2 GLU A 67 18.240 10.907 -3.279 1.00 1.81 O ATOM 0 H GLU A 67 21.878 8.549 -2.758 1.00 0.40 H new ATOM 0 HA GLU A 67 20.490 10.457 -4.451 1.00 0.45 H new ATOM 0 HB2 GLU A 67 22.215 10.720 -1.943 1.00 0.46 H new ATOM 0 HB3 GLU A 67 21.353 12.062 -2.669 1.00 0.46 H new ATOM 0 HG2 GLU A 67 19.887 9.485 -1.972 1.00 0.44 H new ATOM 0 HG3 GLU A 67 20.175 10.700 -0.743 1.00 0.44 H new ATOM 1031 N LEU A 68 23.744 10.271 -4.566 1.00 0.49 N ATOM 1032 CA LEU A 68 24.933 10.776 -5.311 1.00 0.54 C ATOM 1033 C LEU A 68 24.838 10.341 -6.774 1.00 0.56 C ATOM 1034 O LEU A 68 24.387 11.082 -7.624 1.00 0.62 O ATOM 1035 CB LEU A 68 26.207 10.204 -4.697 1.00 0.55 C ATOM 1036 CG LEU A 68 26.351 10.685 -3.251 1.00 0.55 C ATOM 1037 CD1 LEU A 68 27.581 10.022 -2.640 1.00 0.56 C ATOM 1038 CD2 LEU A 68 26.517 12.219 -3.207 1.00 0.61 C ATOM 0 H LEU A 68 23.915 9.456 -3.977 1.00 0.49 H new ATOM 0 HA LEU A 68 24.960 11.864 -5.251 1.00 0.54 H new ATOM 0 HB2 LEU A 68 26.177 9.115 -4.726 1.00 0.55 H new ATOM 0 HB3 LEU A 68 27.074 10.515 -5.281 1.00 0.55 H new ATOM 0 HG LEU A 68 25.456 10.418 -2.689 1.00 0.55 H new ATOM 0 HD11 LEU A 68 27.699 10.354 -1.609 1.00 0.56 H new ATOM 0 HD12 LEU A 68 27.459 8.939 -2.661 1.00 0.56 H new ATOM 0 HD13 LEU A 68 28.466 10.298 -3.213 1.00 0.56 H new ATOM 0 HD21 LEU A 68 26.618 12.544 -2.172 1.00 0.61 H new ATOM 0 HD22 LEU A 68 27.408 12.505 -3.766 1.00 0.61 H new ATOM 0 HD23 LEU A 68 25.642 12.693 -3.652 1.00 0.61 H new ATOM 1050 N ASN A 69 25.261 9.143 -7.074 1.00 0.61 N ATOM 1051 CA ASN A 69 25.198 8.652 -8.482 1.00 0.64 C ATOM 1052 C ASN A 69 23.846 7.982 -8.729 1.00 0.70 C ATOM 1053 O ASN A 69 23.402 7.248 -7.860 1.00 1.15 O ATOM 1054 CB ASN A 69 26.320 7.637 -8.715 1.00 0.82 C ATOM 1055 CG ASN A 69 26.124 6.436 -7.786 1.00 1.67 C ATOM 1056 OD1 ASN A 69 26.475 6.490 -6.624 1.00 2.45 O ATOM 1057 ND2 ASN A 69 25.576 5.348 -8.252 1.00 2.41 N ATOM 1058 OXT ASN A 69 23.276 8.213 -9.782 1.00 1.44 O ATOM 0 H ASN A 69 25.649 8.480 -6.403 1.00 0.61 H new ATOM 0 HA ASN A 69 25.317 9.492 -9.167 1.00 0.64 H new ATOM 0 HB2 ASN A 69 26.319 7.310 -9.755 1.00 0.82 H new ATOM 0 HB3 ASN A 69 27.289 8.101 -8.528 1.00 0.82 H new ATOM 0 HD21 ASN A 69 25.442 4.542 -7.641 1.00 2.41 H new ATOM 0 HD22 ASN A 69 25.281 5.303 -9.227 1.00 2.41 H new TER 1065 ASN A 69 ATOM 1066 N ALA B 1 7.980 -16.325 -13.375 1.00 3.98 N ATOM 1067 CA ALA B 1 7.221 -15.577 -12.332 1.00 3.41 C ATOM 1068 C ALA B 1 7.964 -15.662 -10.990 1.00 2.89 C ATOM 1069 O ALA B 1 7.482 -16.290 -10.068 1.00 2.91 O ATOM 1070 CB ALA B 1 5.830 -16.198 -12.179 1.00 3.83 C ATOM 0 H1 ALA B 1 8.289 -15.667 -14.118 1.00 3.98 H new ATOM 0 H2 ALA B 1 8.812 -16.775 -12.943 1.00 3.98 H new ATOM 0 H3 ALA B 1 7.369 -17.056 -13.792 1.00 3.98 H new ATOM 0 HA ALA B 1 7.130 -14.532 -12.629 1.00 3.41 H new ATOM 0 HB1 ALA B 1 5.271 -15.655 -11.417 1.00 3.83 H new ATOM 0 HB2 ALA B 1 5.299 -16.140 -13.129 1.00 3.83 H new ATOM 0 HB3 ALA B 1 5.928 -17.242 -11.881 1.00 3.83 H new ATOM 1078 N PRO B 2 9.119 -15.035 -10.911 1.00 2.53 N ATOM 1079 CA PRO B 2 9.920 -15.051 -9.671 1.00 2.14 C ATOM 1080 C PRO B 2 9.141 -14.362 -8.541 1.00 1.85 C ATOM 1081 O PRO B 2 8.440 -13.394 -8.758 1.00 1.89 O ATOM 1082 CB PRO B 2 11.216 -14.279 -10.022 1.00 1.96 C ATOM 1083 CG PRO B 2 11.086 -13.792 -11.496 1.00 2.21 C ATOM 1084 CD PRO B 2 9.715 -14.270 -12.028 1.00 2.60 C ATOM 0 HA PRO B 2 10.144 -16.059 -9.323 1.00 2.14 H new ATOM 0 HB2 PRO B 2 11.352 -13.432 -9.349 1.00 1.96 H new ATOM 0 HB3 PRO B 2 12.089 -14.922 -9.906 1.00 1.96 H new ATOM 0 HG2 PRO B 2 11.159 -12.706 -11.548 1.00 2.21 H new ATOM 0 HG3 PRO B 2 11.895 -14.196 -12.105 1.00 2.21 H new ATOM 0 HD2 PRO B 2 9.085 -13.427 -12.310 1.00 2.60 H new ATOM 0 HD3 PRO B 2 9.831 -14.892 -12.916 1.00 2.60 H new ATOM 1092 N MET B 3 9.261 -14.856 -7.339 1.00 1.69 N ATOM 1093 CA MET B 3 8.530 -14.230 -6.201 1.00 1.53 C ATOM 1094 C MET B 3 9.285 -12.983 -5.733 1.00 1.17 C ATOM 1095 O MET B 3 10.456 -13.039 -5.413 1.00 0.99 O ATOM 1096 CB MET B 3 8.430 -15.232 -5.049 1.00 1.63 C ATOM 1097 CG MET B 3 7.715 -16.495 -5.533 1.00 2.15 C ATOM 1098 SD MET B 3 7.833 -17.780 -4.265 1.00 2.54 S ATOM 1099 CE MET B 3 6.689 -18.957 -5.027 1.00 3.59 C ATOM 0 H MET B 3 9.833 -15.665 -7.096 1.00 1.69 H new ATOM 0 HA MET B 3 7.528 -13.946 -6.523 1.00 1.53 H new ATOM 0 HB2 MET B 3 9.426 -15.482 -4.683 1.00 1.63 H new ATOM 0 HB3 MET B 3 7.886 -14.790 -4.215 1.00 1.63 H new ATOM 0 HG2 MET B 3 6.669 -16.274 -5.746 1.00 2.15 H new ATOM 0 HG3 MET B 3 8.163 -16.845 -6.463 1.00 2.15 H new ATOM 0 HE1 MET B 3 6.609 -19.845 -4.400 1.00 3.59 H new ATOM 0 HE2 MET B 3 5.707 -18.495 -5.130 1.00 3.59 H new ATOM 0 HE3 MET B 3 7.061 -19.241 -6.011 1.00 3.59 H new ATOM 1109 N GLY B 4 8.624 -11.859 -5.690 1.00 1.14 N ATOM 1110 CA GLY B 4 9.303 -10.610 -5.243 1.00 0.89 C ATOM 1111 C GLY B 4 9.993 -10.852 -3.902 1.00 0.62 C ATOM 1112 O GLY B 4 9.865 -11.904 -3.308 1.00 0.70 O ATOM 0 H GLY B 4 7.642 -11.751 -5.945 1.00 1.14 H new ATOM 0 HA2 GLY B 4 10.034 -10.295 -5.988 1.00 0.89 H new ATOM 0 HA3 GLY B 4 8.576 -9.803 -5.149 1.00 0.89 H new ATOM 1116 N SER B 5 10.726 -9.884 -3.415 1.00 0.44 N ATOM 1117 CA SER B 5 11.426 -10.061 -2.110 1.00 0.30 C ATOM 1118 C SER B 5 10.492 -9.644 -0.959 1.00 0.27 C ATOM 1119 O SER B 5 10.018 -10.474 -0.208 1.00 0.30 O ATOM 1120 CB SER B 5 12.718 -9.227 -2.108 1.00 0.49 C ATOM 1121 OG SER B 5 13.832 -10.099 -1.963 1.00 1.52 O ATOM 0 H SER B 5 10.869 -8.980 -3.865 1.00 0.44 H new ATOM 0 HA SER B 5 11.691 -11.109 -1.968 1.00 0.30 H new ATOM 0 HB2 SER B 5 12.802 -8.660 -3.035 1.00 0.49 H new ATOM 0 HB3 SER B 5 12.698 -8.503 -1.293 1.00 0.49 H new ATOM 0 HG SER B 5 14.660 -9.575 -1.963 1.00 1.52 H new ATOM 1127 N ASP B 6 10.218 -8.372 -0.813 1.00 0.24 N ATOM 1128 CA ASP B 6 9.309 -7.931 0.295 1.00 0.23 C ATOM 1129 C ASP B 6 8.739 -6.539 -0.021 1.00 0.21 C ATOM 1130 O ASP B 6 9.110 -5.569 0.610 1.00 0.20 O ATOM 1131 CB ASP B 6 10.092 -7.873 1.619 1.00 0.25 C ATOM 1132 CG ASP B 6 9.115 -7.912 2.797 1.00 1.26 C ATOM 1133 OD1 ASP B 6 7.937 -7.683 2.572 1.00 2.03 O ATOM 1134 OD2 ASP B 6 9.561 -8.168 3.903 1.00 2.00 O ATOM 0 H ASP B 6 10.579 -7.624 -1.405 1.00 0.24 H new ATOM 0 HA ASP B 6 8.491 -8.645 0.388 1.00 0.23 H new ATOM 0 HB2 ASP B 6 10.785 -8.712 1.680 1.00 0.25 H new ATOM 0 HB3 ASP B 6 10.690 -6.963 1.660 1.00 0.25 H new ATOM 1139 N PRO B 7 7.857 -6.466 -0.994 1.00 0.22 N ATOM 1140 CA PRO B 7 7.251 -5.181 -1.387 1.00 0.22 C ATOM 1141 C PRO B 7 6.362 -4.642 -0.243 1.00 0.20 C ATOM 1142 O PRO B 7 6.035 -5.375 0.669 1.00 0.20 O ATOM 1143 CB PRO B 7 6.416 -5.506 -2.650 1.00 0.25 C ATOM 1144 CG PRO B 7 6.516 -7.042 -2.894 1.00 0.27 C ATOM 1145 CD PRO B 7 7.403 -7.636 -1.776 1.00 0.26 C ATOM 0 HA PRO B 7 7.993 -4.408 -1.589 1.00 0.22 H new ATOM 0 HB2 PRO B 7 5.377 -5.207 -2.511 1.00 0.25 H new ATOM 0 HB3 PRO B 7 6.794 -4.955 -3.512 1.00 0.25 H new ATOM 0 HG2 PRO B 7 5.526 -7.497 -2.880 1.00 0.27 H new ATOM 0 HG3 PRO B 7 6.947 -7.247 -3.874 1.00 0.27 H new ATOM 0 HD2 PRO B 7 6.842 -8.334 -1.154 1.00 0.26 H new ATOM 0 HD3 PRO B 7 8.247 -8.186 -2.191 1.00 0.26 H new ATOM 1153 N PRO B 8 5.990 -3.377 -0.324 1.00 0.21 N ATOM 1154 CA PRO B 8 5.132 -2.752 0.706 1.00 0.22 C ATOM 1155 C PRO B 8 3.765 -3.453 0.743 1.00 0.22 C ATOM 1156 O PRO B 8 3.622 -4.580 0.313 1.00 0.22 O ATOM 1157 CB PRO B 8 4.993 -1.275 0.262 1.00 0.24 C ATOM 1158 CG PRO B 8 5.643 -1.152 -1.146 1.00 0.26 C ATOM 1159 CD PRO B 8 6.385 -2.475 -1.429 1.00 0.24 C ATOM 0 HA PRO B 8 5.550 -2.831 1.710 1.00 0.22 H new ATOM 0 HB2 PRO B 8 3.944 -0.981 0.228 1.00 0.24 H new ATOM 0 HB3 PRO B 8 5.487 -0.612 0.972 1.00 0.24 H new ATOM 0 HG2 PRO B 8 4.883 -0.969 -1.905 1.00 0.26 H new ATOM 0 HG3 PRO B 8 6.334 -0.310 -1.177 1.00 0.26 H new ATOM 0 HD2 PRO B 8 6.101 -2.888 -2.397 1.00 0.24 H new ATOM 0 HD3 PRO B 8 7.465 -2.326 -1.451 1.00 0.24 H new ATOM 1167 N THR B 9 2.760 -2.787 1.251 1.00 0.23 N ATOM 1168 CA THR B 9 1.404 -3.405 1.316 1.00 0.24 C ATOM 1169 C THR B 9 0.343 -2.308 1.303 1.00 0.24 C ATOM 1170 O THR B 9 0.329 -1.429 2.142 1.00 0.25 O ATOM 1171 CB THR B 9 1.278 -4.218 2.604 1.00 0.25 C ATOM 1172 OG1 THR B 9 2.423 -5.046 2.751 1.00 0.26 O ATOM 1173 CG2 THR B 9 0.019 -5.087 2.544 1.00 0.29 C ATOM 0 H THR B 9 2.821 -1.840 1.624 1.00 0.23 H new ATOM 0 HA THR B 9 1.261 -4.059 0.456 1.00 0.24 H new ATOM 0 HB THR B 9 1.206 -3.541 3.456 1.00 0.25 H new ATOM 0 HG1 THR B 9 2.463 -5.390 3.668 1.00 0.26 H new ATOM 0 HG21 THR B 9 -0.068 -5.665 3.464 1.00 0.29 H new ATOM 0 HG22 THR B 9 -0.858 -4.450 2.432 1.00 0.29 H new ATOM 0 HG23 THR B 9 0.085 -5.766 1.694 1.00 0.29 H new ATOM 1181 N ALA B 10 -0.547 -2.355 0.354 1.00 0.23 N ATOM 1182 CA ALA B 10 -1.613 -1.322 0.274 1.00 0.23 C ATOM 1183 C ALA B 10 -2.575 -1.481 1.450 1.00 0.22 C ATOM 1184 O ALA B 10 -3.633 -2.065 1.322 1.00 0.27 O ATOM 1185 CB ALA B 10 -2.381 -1.496 -1.035 1.00 0.23 C ATOM 0 H ALA B 10 -0.582 -3.069 -0.374 1.00 0.23 H new ATOM 0 HA ALA B 10 -1.162 -0.330 0.310 1.00 0.23 H new ATOM 0 HB1 ALA B 10 -3.165 -0.741 -1.100 1.00 0.23 H new ATOM 0 HB2 ALA B 10 -1.697 -1.382 -1.876 1.00 0.23 H new ATOM 0 HB3 ALA B 10 -2.830 -2.489 -1.064 1.00 0.23 H new ATOM 1191 N CYS B 11 -2.219 -0.954 2.594 1.00 0.25 N ATOM 1192 CA CYS B 11 -3.108 -1.053 3.793 1.00 0.25 C ATOM 1193 C CYS B 11 -3.693 0.331 4.080 1.00 0.25 C ATOM 1194 O CYS B 11 -3.004 1.330 4.019 1.00 0.26 O ATOM 1195 CB CYS B 11 -2.287 -1.520 4.998 1.00 0.25 C ATOM 1196 SG CYS B 11 -1.361 -3.013 4.554 1.00 0.34 S ATOM 0 H CYS B 11 -1.343 -0.455 2.751 1.00 0.25 H new ATOM 0 HA CYS B 11 -3.910 -1.767 3.607 1.00 0.25 H new ATOM 0 HB2 CYS B 11 -1.601 -0.733 5.311 1.00 0.25 H new ATOM 0 HB3 CYS B 11 -2.945 -1.725 5.843 1.00 0.25 H new ATOM 1201 N CYS B 12 -4.960 0.401 4.379 1.00 0.24 N ATOM 1202 CA CYS B 12 -5.581 1.726 4.655 1.00 0.24 C ATOM 1203 C CYS B 12 -5.112 2.241 6.016 1.00 0.24 C ATOM 1204 O CYS B 12 -4.942 1.486 6.953 1.00 0.27 O ATOM 1205 CB CYS B 12 -7.105 1.588 4.662 1.00 0.24 C ATOM 1206 SG CYS B 12 -7.673 1.056 3.028 1.00 0.24 S ATOM 0 H CYS B 12 -5.590 -0.398 4.444 1.00 0.24 H new ATOM 0 HA CYS B 12 -5.283 2.430 3.878 1.00 0.24 H new ATOM 0 HB2 CYS B 12 -7.411 0.865 5.418 1.00 0.24 H new ATOM 0 HB3 CYS B 12 -7.565 2.540 4.926 1.00 0.24 H new ATOM 1211 N PHE B 13 -4.912 3.529 6.131 1.00 0.25 N ATOM 1212 CA PHE B 13 -4.466 4.122 7.428 1.00 0.27 C ATOM 1213 C PHE B 13 -5.671 4.792 8.090 1.00 0.24 C ATOM 1214 O PHE B 13 -5.673 5.077 9.271 1.00 0.26 O ATOM 1215 CB PHE B 13 -3.376 5.167 7.161 1.00 0.30 C ATOM 1216 CG PHE B 13 -3.972 6.329 6.404 1.00 0.31 C ATOM 1217 CD1 PHE B 13 -4.239 6.208 5.028 1.00 0.31 C ATOM 1218 CD2 PHE B 13 -4.273 7.529 7.078 1.00 0.35 C ATOM 1219 CE1 PHE B 13 -4.804 7.286 4.324 1.00 0.34 C ATOM 1220 CE2 PHE B 13 -4.840 8.607 6.375 1.00 0.37 C ATOM 1221 CZ PHE B 13 -5.105 8.487 4.997 1.00 0.37 C ATOM 0 H PHE B 13 -5.040 4.201 5.375 1.00 0.25 H new ATOM 0 HA PHE B 13 -4.064 3.348 8.081 1.00 0.27 H new ATOM 0 HB2 PHE B 13 -2.949 5.512 8.103 1.00 0.30 H new ATOM 0 HB3 PHE B 13 -2.563 4.723 6.587 1.00 0.30 H new ATOM 0 HD1 PHE B 13 -4.010 5.287 4.512 1.00 0.31 H new ATOM 0 HD2 PHE B 13 -4.068 7.621 8.134 1.00 0.35 H new ATOM 0 HE1 PHE B 13 -5.007 7.194 3.267 1.00 0.34 H new ATOM 0 HE2 PHE B 13 -5.072 9.527 6.892 1.00 0.37 H new ATOM 0 HZ PHE B 13 -5.539 9.315 4.456 1.00 0.37 H new ATOM 1231 N SER B 14 -6.697 5.039 7.323 1.00 0.21 N ATOM 1232 CA SER B 14 -7.920 5.685 7.874 1.00 0.20 C ATOM 1233 C SER B 14 -9.107 5.339 6.975 1.00 0.18 C ATOM 1234 O SER B 14 -9.130 4.306 6.337 1.00 0.17 O ATOM 1235 CB SER B 14 -7.727 7.202 7.905 1.00 0.20 C ATOM 1236 OG SER B 14 -7.571 7.684 6.577 1.00 0.25 O ATOM 0 H SER B 14 -6.740 4.818 6.328 1.00 0.21 H new ATOM 0 HA SER B 14 -8.105 5.327 8.887 1.00 0.20 H new ATOM 0 HB2 SER B 14 -8.585 7.679 8.379 1.00 0.20 H new ATOM 0 HB3 SER B 14 -6.851 7.456 8.502 1.00 0.20 H new ATOM 0 HG SER B 14 -6.646 7.544 6.285 1.00 0.25 H new ATOM 1242 N TYR B 15 -10.096 6.190 6.914 1.00 0.19 N ATOM 1243 CA TYR B 15 -11.281 5.901 6.052 1.00 0.20 C ATOM 1244 C TYR B 15 -11.954 7.213 5.653 1.00 0.24 C ATOM 1245 O TYR B 15 -11.738 8.242 6.263 1.00 0.29 O ATOM 1246 CB TYR B 15 -12.281 5.030 6.826 1.00 0.22 C ATOM 1247 CG TYR B 15 -11.539 3.988 7.628 1.00 0.21 C ATOM 1248 CD1 TYR B 15 -11.150 2.778 7.024 1.00 0.21 C ATOM 1249 CD2 TYR B 15 -11.237 4.228 8.983 1.00 0.25 C ATOM 1250 CE1 TYR B 15 -10.457 1.808 7.774 1.00 0.23 C ATOM 1251 CE2 TYR B 15 -10.545 3.259 9.732 1.00 0.28 C ATOM 1252 CZ TYR B 15 -10.155 2.048 9.129 1.00 0.27 C ATOM 1253 OH TYR B 15 -9.477 1.097 9.863 1.00 0.32 O ATOM 0 H TYR B 15 -10.135 7.073 7.423 1.00 0.19 H new ATOM 0 HA TYR B 15 -10.955 5.371 5.157 1.00 0.20 H new ATOM 0 HB2 TYR B 15 -12.882 5.652 7.489 1.00 0.22 H new ATOM 0 HB3 TYR B 15 -12.969 4.546 6.132 1.00 0.22 H new ATOM 0 HD1 TYR B 15 -11.383 2.593 5.986 1.00 0.21 H new ATOM 0 HD2 TYR B 15 -11.537 5.156 9.447 1.00 0.25 H new ATOM 0 HE1 TYR B 15 -10.157 0.880 7.310 1.00 0.23 H new ATOM 0 HE2 TYR B 15 -10.313 3.444 10.770 1.00 0.28 H new ATOM 0 HH TYR B 15 -9.348 1.421 10.779 1.00 0.32 H new ATOM 1263 N THR B 16 -12.772 7.185 4.637 1.00 0.22 N ATOM 1264 CA THR B 16 -13.461 8.435 4.212 1.00 0.28 C ATOM 1265 C THR B 16 -14.338 8.933 5.365 1.00 0.32 C ATOM 1266 O THR B 16 -14.025 8.731 6.522 1.00 0.38 O ATOM 1267 CB THR B 16 -14.308 8.164 2.960 1.00 0.28 C ATOM 1268 OG1 THR B 16 -14.970 9.356 2.565 1.00 0.39 O ATOM 1269 CG2 THR B 16 -15.340 7.072 3.245 1.00 0.27 C ATOM 0 H THR B 16 -12.992 6.355 4.086 1.00 0.22 H new ATOM 0 HA THR B 16 -12.727 9.202 3.965 1.00 0.28 H new ATOM 0 HB THR B 16 -13.653 7.828 2.156 1.00 0.28 H new ATOM 0 HG1 THR B 16 -15.508 9.181 1.765 1.00 0.39 H new ATOM 0 HG21 THR B 16 -15.934 6.890 2.349 1.00 0.27 H new ATOM 0 HG22 THR B 16 -14.828 6.154 3.534 1.00 0.27 H new ATOM 0 HG23 THR B 16 -15.995 7.393 4.055 1.00 0.27 H new ATOM 1277 N ALA B 17 -15.429 9.586 5.073 1.00 0.36 N ATOM 1278 CA ALA B 17 -16.311 10.095 6.164 1.00 0.42 C ATOM 1279 C ALA B 17 -17.766 10.058 5.699 1.00 0.45 C ATOM 1280 O ALA B 17 -18.671 9.816 6.472 1.00 0.63 O ATOM 1281 CB ALA B 17 -15.913 11.532 6.501 1.00 0.50 C ATOM 0 H ALA B 17 -15.749 9.790 4.126 1.00 0.36 H new ATOM 0 HA ALA B 17 -16.201 9.470 7.050 1.00 0.42 H new ATOM 0 HB1 ALA B 17 -16.554 11.910 7.298 1.00 0.50 H new ATOM 0 HB2 ALA B 17 -14.874 11.554 6.830 1.00 0.50 H new ATOM 0 HB3 ALA B 17 -16.027 12.158 5.616 1.00 0.50 H new ATOM 1287 N ARG B 18 -17.998 10.289 4.435 1.00 0.47 N ATOM 1288 CA ARG B 18 -19.394 10.262 3.905 1.00 0.48 C ATOM 1289 C ARG B 18 -19.677 8.879 3.315 1.00 0.41 C ATOM 1290 O ARG B 18 -18.924 8.371 2.508 1.00 0.37 O ATOM 1291 CB ARG B 18 -19.543 11.326 2.808 1.00 0.53 C ATOM 1292 CG ARG B 18 -19.754 12.705 3.441 1.00 0.70 C ATOM 1293 CD ARG B 18 -18.512 13.111 4.239 1.00 1.15 C ATOM 1294 NE ARG B 18 -18.526 14.586 4.456 1.00 1.96 N ATOM 1295 CZ ARG B 18 -17.750 15.121 5.357 1.00 2.64 C ATOM 1296 NH1 ARG B 18 -16.970 14.364 6.078 1.00 2.84 N ATOM 1297 NH2 ARG B 18 -17.755 16.412 5.539 1.00 3.63 N ATOM 0 H ARG B 18 -17.278 10.496 3.743 1.00 0.47 H new ATOM 0 HA ARG B 18 -20.099 10.470 4.710 1.00 0.48 H new ATOM 0 HB2 ARG B 18 -18.653 11.338 2.178 1.00 0.53 H new ATOM 0 HB3 ARG B 18 -20.387 11.080 2.163 1.00 0.53 H new ATOM 0 HG2 ARG B 18 -19.955 13.443 2.665 1.00 0.70 H new ATOM 0 HG3 ARG B 18 -20.626 12.684 4.095 1.00 0.70 H new ATOM 0 HD2 ARG B 18 -18.495 12.591 5.197 1.00 1.15 H new ATOM 0 HD3 ARG B 18 -17.609 12.819 3.702 1.00 1.15 H new ATOM 0 HE ARG B 18 -19.143 15.177 3.899 1.00 1.96 H new ATOM 0 HH11 ARG B 18 -16.967 13.354 5.937 1.00 2.84 H new ATOM 0 HH12 ARG B 18 -16.363 14.782 6.783 1.00 2.84 H new ATOM 0 HH21 ARG B 18 -18.366 17.004 4.976 1.00 3.63 H new ATOM 0 HH22 ARG B 18 -17.148 16.830 6.244 1.00 3.63 H new ATOM 1311 N LYS B 19 -20.761 8.269 3.705 1.00 0.40 N ATOM 1312 CA LYS B 19 -21.096 6.925 3.161 1.00 0.35 C ATOM 1313 C LYS B 19 -21.308 7.057 1.650 1.00 0.31 C ATOM 1314 O LYS B 19 -22.040 7.909 1.189 1.00 0.33 O ATOM 1315 CB LYS B 19 -22.369 6.414 3.854 1.00 0.38 C ATOM 1316 CG LYS B 19 -22.952 5.205 3.122 1.00 0.40 C ATOM 1317 CD LYS B 19 -24.188 4.728 3.883 1.00 0.62 C ATOM 1318 CE LYS B 19 -24.983 3.764 3.012 1.00 0.97 C ATOM 1319 NZ LYS B 19 -25.754 4.535 1.996 1.00 1.79 N ATOM 0 H LYS B 19 -21.430 8.644 4.378 1.00 0.40 H new ATOM 0 HA LYS B 19 -20.292 6.213 3.345 1.00 0.35 H new ATOM 0 HB2 LYS B 19 -22.141 6.143 4.885 1.00 0.38 H new ATOM 0 HB3 LYS B 19 -23.111 7.212 3.891 1.00 0.38 H new ATOM 0 HG2 LYS B 19 -23.217 5.473 2.099 1.00 0.40 H new ATOM 0 HG3 LYS B 19 -22.213 4.406 3.061 1.00 0.40 H new ATOM 0 HD2 LYS B 19 -23.890 4.236 4.809 1.00 0.62 H new ATOM 0 HD3 LYS B 19 -24.809 5.580 4.160 1.00 0.62 H new ATOM 0 HE2 LYS B 19 -24.310 3.063 2.519 1.00 0.97 H new ATOM 0 HE3 LYS B 19 -25.661 3.174 3.629 1.00 0.97 H new ATOM 0 HZ1 LYS B 19 -25.755 4.017 1.094 1.00 1.79 H new ATOM 0 HZ2 LYS B 19 -26.733 4.660 2.324 1.00 1.79 H new ATOM 0 HZ3 LYS B 19 -25.313 5.467 1.859 1.00 1.79 H new ATOM 1333 N LEU B 20 -20.659 6.230 0.875 1.00 0.27 N ATOM 1334 CA LEU B 20 -20.808 6.323 -0.605 1.00 0.27 C ATOM 1335 C LEU B 20 -22.198 5.796 -1.034 1.00 0.27 C ATOM 1336 O LEU B 20 -22.474 4.631 -0.823 1.00 0.27 O ATOM 1337 CB LEU B 20 -19.743 5.450 -1.274 1.00 0.24 C ATOM 1338 CG LEU B 20 -18.382 5.670 -0.616 1.00 0.23 C ATOM 1339 CD1 LEU B 20 -17.310 4.971 -1.452 1.00 0.22 C ATOM 1340 CD2 LEU B 20 -18.066 7.167 -0.541 1.00 0.27 C ATOM 0 H LEU B 20 -20.033 5.495 1.203 1.00 0.27 H new ATOM 0 HA LEU B 20 -20.698 7.365 -0.904 1.00 0.27 H new ATOM 0 HB2 LEU B 20 -20.025 4.400 -1.198 1.00 0.24 H new ATOM 0 HB3 LEU B 20 -19.683 5.688 -2.336 1.00 0.24 H new ATOM 0 HG LEU B 20 -18.400 5.261 0.394 1.00 0.23 H new ATOM 0 HD11 LEU B 20 -16.334 5.122 -0.991 1.00 0.22 H new ATOM 0 HD12 LEU B 20 -17.527 3.904 -1.503 1.00 0.22 H new ATOM 0 HD13 LEU B 20 -17.304 5.388 -2.459 1.00 0.22 H new ATOM 0 HD21 LEU B 20 -17.094 7.310 -0.070 1.00 0.27 H new ATOM 0 HD22 LEU B 20 -18.047 7.586 -1.547 1.00 0.27 H new ATOM 0 HD23 LEU B 20 -18.832 7.672 0.048 1.00 0.27 H new ATOM 1352 N PRO B 21 -23.040 6.621 -1.642 1.00 0.31 N ATOM 1353 CA PRO B 21 -24.361 6.142 -2.091 1.00 0.34 C ATOM 1354 C PRO B 21 -24.178 4.961 -3.047 1.00 0.30 C ATOM 1355 O PRO B 21 -23.215 4.895 -3.781 1.00 0.29 O ATOM 1356 CB PRO B 21 -24.996 7.348 -2.823 1.00 0.39 C ATOM 1357 CG PRO B 21 -24.072 8.573 -2.580 1.00 0.42 C ATOM 1358 CD PRO B 21 -22.777 8.052 -1.923 1.00 0.35 C ATOM 0 HA PRO B 21 -24.988 5.797 -1.269 1.00 0.34 H new ATOM 0 HB2 PRO B 21 -25.091 7.144 -3.889 1.00 0.39 H new ATOM 0 HB3 PRO B 21 -26.000 7.542 -2.445 1.00 0.39 H new ATOM 0 HG2 PRO B 21 -23.849 9.078 -3.520 1.00 0.42 H new ATOM 0 HG3 PRO B 21 -24.563 9.302 -1.935 1.00 0.42 H new ATOM 0 HD2 PRO B 21 -21.921 8.173 -2.587 1.00 0.35 H new ATOM 0 HD3 PRO B 21 -22.551 8.599 -1.008 1.00 0.35 H new ATOM 1366 N ARG B 22 -25.099 4.038 -3.061 1.00 0.31 N ATOM 1367 CA ARG B 22 -24.971 2.887 -3.995 1.00 0.30 C ATOM 1368 C ARG B 22 -24.704 3.430 -5.402 1.00 0.31 C ATOM 1369 O ARG B 22 -24.006 2.827 -6.193 1.00 0.31 O ATOM 1370 CB ARG B 22 -26.267 2.075 -3.993 1.00 0.33 C ATOM 1371 CG ARG B 22 -26.040 0.748 -4.720 1.00 0.69 C ATOM 1372 CD ARG B 22 -27.275 -0.140 -4.559 1.00 1.24 C ATOM 1373 NE ARG B 22 -27.050 -1.437 -5.257 1.00 1.34 N ATOM 1374 CZ ARG B 22 -27.830 -2.454 -5.010 1.00 2.07 C ATOM 1375 NH1 ARG B 22 -28.806 -2.335 -4.152 1.00 2.89 N ATOM 1376 NH2 ARG B 22 -27.634 -3.589 -5.622 1.00 2.44 N ATOM 0 H ARG B 22 -25.930 4.031 -2.469 1.00 0.31 H new ATOM 0 HA ARG B 22 -24.150 2.241 -3.682 1.00 0.30 H new ATOM 0 HB2 ARG B 22 -26.591 1.890 -2.969 1.00 0.33 H new ATOM 0 HB3 ARG B 22 -27.062 2.638 -4.482 1.00 0.33 H new ATOM 0 HG2 ARG B 22 -25.845 0.929 -5.777 1.00 0.69 H new ATOM 0 HG3 ARG B 22 -25.162 0.245 -4.315 1.00 0.69 H new ATOM 0 HD2 ARG B 22 -27.475 -0.314 -3.502 1.00 1.24 H new ATOM 0 HD3 ARG B 22 -28.151 0.360 -4.972 1.00 1.24 H new ATOM 0 HE ARG B 22 -26.287 -1.530 -5.927 1.00 1.34 H new ATOM 0 HH11 ARG B 22 -28.960 -1.447 -3.674 1.00 2.89 H new ATOM 0 HH12 ARG B 22 -29.415 -3.130 -3.959 1.00 2.89 H new ATOM 0 HH21 ARG B 22 -26.872 -3.681 -6.293 1.00 2.44 H new ATOM 0 HH22 ARG B 22 -28.243 -4.384 -5.429 1.00 2.44 H new ATOM 1390 N ASN B 23 -25.257 4.574 -5.710 1.00 0.34 N ATOM 1391 CA ASN B 23 -25.042 5.173 -7.058 1.00 0.37 C ATOM 1392 C ASN B 23 -23.612 5.711 -7.161 1.00 0.37 C ATOM 1393 O ASN B 23 -23.288 6.470 -8.053 1.00 0.40 O ATOM 1394 CB ASN B 23 -26.033 6.320 -7.269 1.00 0.42 C ATOM 1395 CG ASN B 23 -27.462 5.790 -7.138 1.00 1.47 C ATOM 1396 OD1 ASN B 23 -28.209 5.779 -8.096 1.00 2.16 O ATOM 1397 ND2 ASN B 23 -27.876 5.347 -5.983 1.00 2.38 N ATOM 0 H ASN B 23 -25.849 5.119 -5.084 1.00 0.34 H new ATOM 0 HA ASN B 23 -25.197 4.410 -7.821 1.00 0.37 H new ATOM 0 HB2 ASN B 23 -25.857 7.107 -6.535 1.00 0.42 H new ATOM 0 HB3 ASN B 23 -25.887 6.764 -8.254 1.00 0.42 H new ATOM 0 HD21 ASN B 23 -28.827 4.991 -5.884 1.00 2.38 H new ATOM 0 HD22 ASN B 23 -27.249 5.356 -5.179 1.00 2.38 H new ATOM 1404 N PHE B 24 -22.755 5.332 -6.248 1.00 0.33 N ATOM 1405 CA PHE B 24 -21.341 5.826 -6.278 1.00 0.33 C ATOM 1406 C PHE B 24 -20.405 4.668 -5.920 1.00 0.30 C ATOM 1407 O PHE B 24 -19.326 4.865 -5.399 1.00 0.28 O ATOM 1408 CB PHE B 24 -21.190 6.962 -5.250 1.00 0.33 C ATOM 1409 CG PHE B 24 -19.998 7.837 -5.584 1.00 0.35 C ATOM 1410 CD1 PHE B 24 -19.953 8.534 -6.811 1.00 0.39 C ATOM 1411 CD2 PHE B 24 -18.936 7.971 -4.664 1.00 0.35 C ATOM 1412 CE1 PHE B 24 -18.853 9.357 -7.113 1.00 0.41 C ATOM 1413 CE2 PHE B 24 -17.837 8.795 -4.970 1.00 0.37 C ATOM 1414 CZ PHE B 24 -17.796 9.489 -6.194 1.00 0.41 C ATOM 0 H PHE B 24 -22.973 4.699 -5.479 1.00 0.33 H new ATOM 0 HA PHE B 24 -21.089 6.201 -7.270 1.00 0.33 H new ATOM 0 HB2 PHE B 24 -22.097 7.566 -5.234 1.00 0.33 H new ATOM 0 HB3 PHE B 24 -21.069 6.541 -4.252 1.00 0.33 H new ATOM 0 HD1 PHE B 24 -20.763 8.435 -7.518 1.00 0.39 H new ATOM 0 HD2 PHE B 24 -18.967 7.440 -3.724 1.00 0.35 H new ATOM 0 HE1 PHE B 24 -18.820 9.889 -8.052 1.00 0.41 H new ATOM 0 HE2 PHE B 24 -17.025 8.895 -4.265 1.00 0.37 H new ATOM 0 HZ PHE B 24 -16.953 10.123 -6.428 1.00 0.41 H new ATOM 1424 N VAL B 25 -20.816 3.459 -6.201 1.00 0.30 N ATOM 1425 CA VAL B 25 -19.964 2.274 -5.886 1.00 0.28 C ATOM 1426 C VAL B 25 -20.249 1.171 -6.908 1.00 0.30 C ATOM 1427 O VAL B 25 -21.113 0.340 -6.713 1.00 0.31 O ATOM 1428 CB VAL B 25 -20.300 1.757 -4.485 1.00 0.24 C ATOM 1429 CG1 VAL B 25 -19.366 0.602 -4.127 1.00 0.22 C ATOM 1430 CG2 VAL B 25 -20.123 2.882 -3.463 1.00 0.23 C ATOM 0 H VAL B 25 -21.711 3.240 -6.638 1.00 0.30 H new ATOM 0 HA VAL B 25 -18.913 2.559 -5.925 1.00 0.28 H new ATOM 0 HB VAL B 25 -21.333 1.411 -4.471 1.00 0.24 H new ATOM 0 HG11 VAL B 25 -19.607 0.235 -3.129 1.00 0.22 H new ATOM 0 HG12 VAL B 25 -19.491 -0.204 -4.850 1.00 0.22 H new ATOM 0 HG13 VAL B 25 -18.333 0.950 -4.146 1.00 0.22 H new ATOM 0 HG21 VAL B 25 -20.363 2.510 -2.467 1.00 0.23 H new ATOM 0 HG22 VAL B 25 -19.090 3.231 -3.481 1.00 0.23 H new ATOM 0 HG23 VAL B 25 -20.789 3.708 -3.712 1.00 0.23 H new ATOM 1440 N VAL B 26 -19.532 1.158 -7.999 1.00 0.33 N ATOM 1441 CA VAL B 26 -19.762 0.114 -9.035 1.00 0.36 C ATOM 1442 C VAL B 26 -18.970 -1.143 -8.684 1.00 0.35 C ATOM 1443 O VAL B 26 -19.157 -2.189 -9.273 1.00 0.37 O ATOM 1444 CB VAL B 26 -19.304 0.646 -10.391 1.00 0.41 C ATOM 1445 CG1 VAL B 26 -20.142 1.868 -10.768 1.00 0.78 C ATOM 1446 CG2 VAL B 26 -17.827 1.041 -10.314 1.00 0.61 C ATOM 0 H VAL B 26 -18.795 1.828 -8.217 1.00 0.33 H new ATOM 0 HA VAL B 26 -20.823 -0.133 -9.076 1.00 0.36 H new ATOM 0 HB VAL B 26 -19.432 -0.129 -11.147 1.00 0.41 H new ATOM 0 HG11 VAL B 26 -19.816 2.248 -11.736 1.00 0.78 H new ATOM 0 HG12 VAL B 26 -21.193 1.585 -10.825 1.00 0.78 H new ATOM 0 HG13 VAL B 26 -20.016 2.643 -10.012 1.00 0.78 H new ATOM 0 HG21 VAL B 26 -17.501 1.421 -11.282 1.00 0.61 H new ATOM 0 HG22 VAL B 26 -17.696 1.815 -9.558 1.00 0.61 H new ATOM 0 HG23 VAL B 26 -17.231 0.169 -10.047 1.00 0.61 H new ATOM 1456 N ASP B 27 -18.086 -1.055 -7.730 1.00 0.32 N ATOM 1457 CA ASP B 27 -17.292 -2.256 -7.353 1.00 0.31 C ATOM 1458 C ASP B 27 -16.521 -1.968 -6.069 1.00 0.27 C ATOM 1459 O ASP B 27 -16.705 -0.943 -5.441 1.00 0.25 O ATOM 1460 CB ASP B 27 -16.308 -2.591 -8.476 1.00 0.34 C ATOM 1461 CG ASP B 27 -15.739 -3.995 -8.255 1.00 0.35 C ATOM 1462 OD1 ASP B 27 -16.492 -4.946 -8.390 1.00 1.09 O ATOM 1463 OD2 ASP B 27 -14.561 -4.094 -7.954 1.00 1.13 O ATOM 0 H ASP B 27 -17.880 -0.209 -7.198 1.00 0.32 H new ATOM 0 HA ASP B 27 -17.961 -3.102 -7.195 1.00 0.31 H new ATOM 0 HB2 ASP B 27 -16.811 -2.539 -9.442 1.00 0.34 H new ATOM 0 HB3 ASP B 27 -15.501 -1.859 -8.497 1.00 0.34 H new ATOM 1468 N TYR B 28 -15.656 -2.858 -5.670 1.00 0.26 N ATOM 1469 CA TYR B 28 -14.878 -2.622 -4.424 1.00 0.23 C ATOM 1470 C TYR B 28 -13.581 -3.422 -4.457 1.00 0.25 C ATOM 1471 O TYR B 28 -13.247 -4.062 -5.435 1.00 0.29 O ATOM 1472 CB TYR B 28 -15.710 -3.018 -3.198 1.00 0.19 C ATOM 1473 CG TYR B 28 -15.805 -4.527 -3.072 1.00 0.21 C ATOM 1474 CD1 TYR B 28 -16.438 -5.285 -4.078 1.00 0.25 C ATOM 1475 CD2 TYR B 28 -15.268 -5.173 -1.939 1.00 0.19 C ATOM 1476 CE1 TYR B 28 -16.533 -6.683 -3.951 1.00 0.27 C ATOM 1477 CE2 TYR B 28 -15.364 -6.570 -1.811 1.00 0.22 C ATOM 1478 CZ TYR B 28 -15.996 -7.327 -2.818 1.00 0.25 C ATOM 1479 OH TYR B 28 -16.091 -8.698 -2.694 1.00 0.28 O ATOM 0 H TYR B 28 -15.455 -3.735 -6.151 1.00 0.26 H new ATOM 0 HA TYR B 28 -14.636 -1.561 -4.357 1.00 0.23 H new ATOM 0 HB2 TYR B 28 -15.259 -2.602 -2.297 1.00 0.19 H new ATOM 0 HB3 TYR B 28 -16.710 -2.592 -3.279 1.00 0.19 H new ATOM 0 HD1 TYR B 28 -16.850 -4.793 -4.946 1.00 0.25 H new ATOM 0 HD2 TYR B 28 -14.782 -4.593 -1.168 1.00 0.19 H new ATOM 0 HE1 TYR B 28 -17.018 -7.263 -4.722 1.00 0.27 H new ATOM 0 HE2 TYR B 28 -14.954 -7.063 -0.942 1.00 0.22 H new ATOM 0 HH TYR B 28 -17.000 -8.985 -2.922 1.00 0.28 H new ATOM 1489 N TYR B 29 -12.842 -3.364 -3.393 1.00 0.23 N ATOM 1490 CA TYR B 29 -11.549 -4.087 -3.329 1.00 0.25 C ATOM 1491 C TYR B 29 -11.145 -4.225 -1.856 1.00 0.22 C ATOM 1492 O TYR B 29 -11.259 -3.293 -1.091 1.00 0.23 O ATOM 1493 CB TYR B 29 -10.507 -3.273 -4.113 1.00 0.29 C ATOM 1494 CG TYR B 29 -9.106 -3.675 -3.722 1.00 0.31 C ATOM 1495 CD1 TYR B 29 -8.613 -4.939 -4.088 1.00 0.36 C ATOM 1496 CD2 TYR B 29 -8.296 -2.785 -2.989 1.00 0.35 C ATOM 1497 CE1 TYR B 29 -7.307 -5.318 -3.722 1.00 0.39 C ATOM 1498 CE2 TYR B 29 -6.990 -3.162 -2.623 1.00 0.38 C ATOM 1499 CZ TYR B 29 -6.495 -4.430 -2.989 1.00 0.36 C ATOM 1500 OH TYR B 29 -5.216 -4.801 -2.630 1.00 0.39 O ATOM 0 H TYR B 29 -13.082 -2.839 -2.552 1.00 0.23 H new ATOM 0 HA TYR B 29 -11.623 -5.083 -3.766 1.00 0.25 H new ATOM 0 HB2 TYR B 29 -10.649 -3.427 -5.183 1.00 0.29 H new ATOM 0 HB3 TYR B 29 -10.651 -2.210 -3.922 1.00 0.29 H new ATOM 0 HD1 TYR B 29 -9.236 -5.620 -4.650 1.00 0.36 H new ATOM 0 HD2 TYR B 29 -8.677 -1.814 -2.708 1.00 0.35 H new ATOM 0 HE1 TYR B 29 -6.928 -6.289 -4.003 1.00 0.39 H new ATOM 0 HE2 TYR B 29 -6.368 -2.480 -2.062 1.00 0.38 H new ATOM 0 HH TYR B 29 -4.792 -4.073 -2.130 1.00 0.39 H new ATOM 1510 N GLU B 30 -10.681 -5.376 -1.446 1.00 0.22 N ATOM 1511 CA GLU B 30 -10.277 -5.554 -0.016 1.00 0.20 C ATOM 1512 C GLU B 30 -8.773 -5.305 0.125 1.00 0.21 C ATOM 1513 O GLU B 30 -8.023 -5.413 -0.824 1.00 0.24 O ATOM 1514 CB GLU B 30 -10.606 -6.978 0.434 1.00 0.22 C ATOM 1515 CG GLU B 30 -12.113 -7.109 0.663 1.00 0.25 C ATOM 1516 CD GLU B 30 -12.448 -8.553 1.041 1.00 0.69 C ATOM 1517 OE1 GLU B 30 -11.731 -9.440 0.608 1.00 1.35 O ATOM 1518 OE2 GLU B 30 -13.417 -8.747 1.758 1.00 1.43 O ATOM 0 H GLU B 30 -10.564 -6.200 -2.036 1.00 0.22 H new ATOM 0 HA GLU B 30 -10.821 -4.844 0.606 1.00 0.20 H new ATOM 0 HB2 GLU B 30 -10.279 -7.693 -0.321 1.00 0.22 H new ATOM 0 HB3 GLU B 30 -10.067 -7.214 1.351 1.00 0.22 H new ATOM 0 HG2 GLU B 30 -12.431 -6.431 1.455 1.00 0.25 H new ATOM 0 HG3 GLU B 30 -12.655 -6.823 -0.238 1.00 0.25 H new ATOM 1525 N THR B 31 -8.332 -4.961 1.304 1.00 0.19 N ATOM 1526 CA THR B 31 -6.878 -4.691 1.518 1.00 0.21 C ATOM 1527 C THR B 31 -6.086 -5.997 1.515 1.00 0.25 C ATOM 1528 O THR B 31 -6.572 -7.036 1.112 1.00 0.27 O ATOM 1529 CB THR B 31 -6.694 -4.004 2.870 1.00 0.20 C ATOM 1530 OG1 THR B 31 -7.401 -4.736 3.856 1.00 0.21 O ATOM 1531 CG2 THR B 31 -7.230 -2.575 2.788 1.00 0.20 C ATOM 0 H THR B 31 -8.917 -4.854 2.133 1.00 0.19 H new ATOM 0 HA THR B 31 -6.514 -4.053 0.713 1.00 0.21 H new ATOM 0 HB THR B 31 -5.637 -3.970 3.135 1.00 0.20 H new ATOM 0 HG1 THR B 31 -7.442 -5.680 3.596 1.00 0.21 H new ATOM 0 HG21 THR B 31 -7.100 -2.082 3.751 1.00 0.20 H new ATOM 0 HG22 THR B 31 -6.683 -2.025 2.022 1.00 0.20 H new ATOM 0 HG23 THR B 31 -8.289 -2.598 2.532 1.00 0.20 H new ATOM 1539 N SER B 32 -4.863 -5.945 1.970 1.00 0.27 N ATOM 1540 CA SER B 32 -4.015 -7.168 2.012 1.00 0.31 C ATOM 1541 C SER B 32 -4.267 -7.918 3.319 1.00 0.33 C ATOM 1542 O SER B 32 -5.371 -7.961 3.825 1.00 0.33 O ATOM 1543 CB SER B 32 -2.544 -6.761 1.942 1.00 0.33 C ATOM 1544 OG SER B 32 -1.752 -7.911 1.676 1.00 1.27 O ATOM 0 H SER B 32 -4.412 -5.098 2.317 1.00 0.27 H new ATOM 0 HA SER B 32 -4.261 -7.813 1.168 1.00 0.31 H new ATOM 0 HB2 SER B 32 -2.398 -6.015 1.160 1.00 0.33 H new ATOM 0 HB3 SER B 32 -2.236 -6.302 2.882 1.00 0.33 H new ATOM 0 HG SER B 32 -0.953 -7.649 1.173 1.00 1.27 H new ATOM 1550 N SER B 33 -3.243 -8.510 3.865 1.00 0.36 N ATOM 1551 CA SER B 33 -3.390 -9.267 5.145 1.00 0.40 C ATOM 1552 C SER B 33 -2.148 -9.033 5.999 1.00 0.40 C ATOM 1553 O SER B 33 -2.217 -8.937 7.209 1.00 0.42 O ATOM 1554 CB SER B 33 -3.503 -10.756 4.835 1.00 0.46 C ATOM 1555 OG SER B 33 -2.205 -11.289 4.616 1.00 0.48 O ATOM 0 H SER B 33 -2.300 -8.503 3.477 1.00 0.36 H new ATOM 0 HA SER B 33 -4.281 -8.931 5.676 1.00 0.40 H new ATOM 0 HB2 SER B 33 -3.987 -11.276 5.662 1.00 0.46 H new ATOM 0 HB3 SER B 33 -4.125 -10.910 3.953 1.00 0.46 H new ATOM 0 HG SER B 33 -2.274 -12.246 4.418 1.00 0.48 H new ATOM 1561 N LEU B 34 -1.014 -8.948 5.361 1.00 0.39 N ATOM 1562 CA LEU B 34 0.271 -8.722 6.090 1.00 0.39 C ATOM 1563 C LEU B 34 0.067 -7.721 7.227 1.00 0.37 C ATOM 1564 O LEU B 34 0.342 -8.002 8.377 1.00 0.40 O ATOM 1565 CB LEU B 34 1.315 -8.165 5.119 1.00 0.36 C ATOM 1566 CG LEU B 34 1.243 -8.908 3.783 1.00 0.39 C ATOM 1567 CD1 LEU B 34 2.401 -8.460 2.887 1.00 0.40 C ATOM 1568 CD2 LEU B 34 1.333 -10.417 4.030 1.00 0.45 C ATOM 0 H LEU B 34 -0.919 -9.027 4.348 1.00 0.39 H new ATOM 0 HA LEU B 34 0.611 -9.671 6.504 1.00 0.39 H new ATOM 0 HB2 LEU B 34 1.144 -7.100 4.961 1.00 0.36 H new ATOM 0 HB3 LEU B 34 2.312 -8.268 5.547 1.00 0.36 H new ATOM 0 HG LEU B 34 0.298 -8.681 3.290 1.00 0.39 H new ATOM 0 HD11 LEU B 34 2.350 -8.989 1.935 1.00 0.40 H new ATOM 0 HD12 LEU B 34 2.330 -7.387 2.710 1.00 0.40 H new ATOM 0 HD13 LEU B 34 3.348 -8.685 3.377 1.00 0.40 H new ATOM 0 HD21 LEU B 34 1.282 -10.945 3.078 1.00 0.45 H new ATOM 0 HD22 LEU B 34 2.277 -10.649 4.523 1.00 0.45 H new ATOM 0 HD23 LEU B 34 0.505 -10.732 4.665 1.00 0.45 H new ATOM 1580 N CYS B 35 -0.408 -6.552 6.910 1.00 0.33 N ATOM 1581 CA CYS B 35 -0.624 -5.528 7.967 1.00 0.34 C ATOM 1582 C CYS B 35 -1.797 -5.960 8.855 1.00 0.39 C ATOM 1583 O CYS B 35 -2.855 -6.306 8.378 1.00 0.39 O ATOM 1584 CB CYS B 35 -0.923 -4.173 7.315 1.00 0.32 C ATOM 1585 SG CYS B 35 -1.992 -4.408 5.874 1.00 0.40 S ATOM 0 H CYS B 35 -0.656 -6.260 5.965 1.00 0.33 H new ATOM 0 HA CYS B 35 0.273 -5.433 8.580 1.00 0.34 H new ATOM 0 HB2 CYS B 35 -1.407 -3.512 8.034 1.00 0.32 H new ATOM 0 HB3 CYS B 35 0.007 -3.691 7.014 1.00 0.32 H new ATOM 1590 N SER B 36 -1.600 -5.969 10.144 1.00 0.44 N ATOM 1591 CA SER B 36 -2.686 -6.394 11.077 1.00 0.51 C ATOM 1592 C SER B 36 -3.867 -5.409 11.054 1.00 0.51 C ATOM 1593 O SER B 36 -4.531 -5.226 12.054 1.00 0.58 O ATOM 1594 CB SER B 36 -2.124 -6.470 12.495 1.00 0.59 C ATOM 1595 OG SER B 36 -1.239 -7.579 12.592 1.00 1.41 O ATOM 0 H SER B 36 -0.727 -5.698 10.596 1.00 0.44 H new ATOM 0 HA SER B 36 -3.051 -7.369 10.755 1.00 0.51 H new ATOM 0 HB2 SER B 36 -1.597 -5.548 12.739 1.00 0.59 H new ATOM 0 HB3 SER B 36 -2.936 -6.574 13.215 1.00 0.59 H new ATOM 0 HG SER B 36 -0.876 -7.629 13.501 1.00 1.41 H new ATOM 1601 N GLN B 37 -4.150 -4.768 9.946 1.00 0.45 N ATOM 1602 CA GLN B 37 -5.302 -3.809 9.934 1.00 0.47 C ATOM 1603 C GLN B 37 -5.872 -3.652 8.515 1.00 0.36 C ATOM 1604 O GLN B 37 -5.784 -2.585 7.943 1.00 0.35 O ATOM 1605 CB GLN B 37 -4.825 -2.445 10.442 1.00 0.55 C ATOM 1606 CG GLN B 37 -3.495 -2.083 9.775 1.00 0.78 C ATOM 1607 CD GLN B 37 -3.073 -0.679 10.208 1.00 0.79 C ATOM 1608 OE1 GLN B 37 -3.907 0.176 10.437 1.00 1.24 O ATOM 1609 NE2 GLN B 37 -1.804 -0.401 10.330 1.00 1.48 N ATOM 0 H GLN B 37 -3.645 -4.863 9.065 1.00 0.45 H new ATOM 0 HA GLN B 37 -6.088 -4.200 10.580 1.00 0.47 H new ATOM 0 HB2 GLN B 37 -5.572 -1.683 10.223 1.00 0.55 H new ATOM 0 HB3 GLN B 37 -4.705 -2.471 11.525 1.00 0.55 H new ATOM 0 HG2 GLN B 37 -2.728 -2.806 10.052 1.00 0.78 H new ATOM 0 HG3 GLN B 37 -3.596 -2.126 8.691 1.00 0.78 H new ATOM 0 HE21 GLN B 37 -1.104 -1.118 10.138 1.00 1.48 H new ATOM 0 HE22 GLN B 37 -1.512 0.533 10.617 1.00 1.48 H new ATOM 1618 N PRO B 38 -6.461 -4.705 7.991 1.00 0.34 N ATOM 1619 CA PRO B 38 -7.065 -4.661 6.645 1.00 0.26 C ATOM 1620 C PRO B 38 -8.327 -3.784 6.685 1.00 0.25 C ATOM 1621 O PRO B 38 -8.725 -3.292 7.721 1.00 0.27 O ATOM 1622 CB PRO B 38 -7.420 -6.132 6.326 1.00 0.33 C ATOM 1623 CG PRO B 38 -7.208 -6.955 7.631 1.00 0.43 C ATOM 1624 CD PRO B 38 -6.565 -6.013 8.675 1.00 0.43 C ATOM 0 HA PRO B 38 -6.403 -4.237 5.890 1.00 0.26 H new ATOM 0 HB2 PRO B 38 -8.452 -6.213 5.985 1.00 0.33 H new ATOM 0 HB3 PRO B 38 -6.788 -6.514 5.524 1.00 0.33 H new ATOM 0 HG2 PRO B 38 -8.158 -7.343 7.998 1.00 0.43 H new ATOM 0 HG3 PRO B 38 -6.565 -7.814 7.442 1.00 0.43 H new ATOM 0 HD2 PRO B 38 -7.178 -5.942 9.574 1.00 0.43 H new ATOM 0 HD3 PRO B 38 -5.585 -6.376 8.985 1.00 0.43 H new ATOM 1632 N ALA B 39 -8.952 -3.601 5.562 1.00 0.23 N ATOM 1633 CA ALA B 39 -10.186 -2.780 5.500 1.00 0.22 C ATOM 1634 C ALA B 39 -10.835 -3.013 4.140 1.00 0.19 C ATOM 1635 O ALA B 39 -10.236 -3.597 3.258 1.00 0.22 O ATOM 1636 CB ALA B 39 -9.830 -1.299 5.648 1.00 0.23 C ATOM 0 H ALA B 39 -8.655 -3.993 4.668 1.00 0.23 H new ATOM 0 HA ALA B 39 -10.867 -3.059 6.304 1.00 0.22 H new ATOM 0 HB1 ALA B 39 -10.739 -0.700 5.602 1.00 0.23 H new ATOM 0 HB2 ALA B 39 -9.337 -1.137 6.607 1.00 0.23 H new ATOM 0 HB3 ALA B 39 -9.160 -1.004 4.841 1.00 0.23 H new ATOM 1642 N VAL B 40 -12.040 -2.551 3.944 1.00 0.15 N ATOM 1643 CA VAL B 40 -12.702 -2.739 2.618 1.00 0.13 C ATOM 1644 C VAL B 40 -12.505 -1.456 1.819 1.00 0.13 C ATOM 1645 O VAL B 40 -12.520 -0.369 2.364 1.00 0.18 O ATOM 1646 CB VAL B 40 -14.199 -3.014 2.815 1.00 0.12 C ATOM 1647 CG1 VAL B 40 -14.948 -2.802 1.494 1.00 0.12 C ATOM 1648 CG2 VAL B 40 -14.387 -4.463 3.265 1.00 0.16 C ATOM 0 H VAL B 40 -12.594 -2.053 4.641 1.00 0.15 H new ATOM 0 HA VAL B 40 -12.268 -3.587 2.089 1.00 0.13 H new ATOM 0 HB VAL B 40 -14.593 -2.332 3.568 1.00 0.12 H new ATOM 0 HG11 VAL B 40 -16.010 -2.999 1.642 1.00 0.12 H new ATOM 0 HG12 VAL B 40 -14.813 -1.773 1.160 1.00 0.12 H new ATOM 0 HG13 VAL B 40 -14.554 -3.483 0.739 1.00 0.12 H new ATOM 0 HG21 VAL B 40 -15.449 -4.665 3.407 1.00 0.16 H new ATOM 0 HG22 VAL B 40 -13.988 -5.135 2.505 1.00 0.16 H new ATOM 0 HG23 VAL B 40 -13.858 -4.624 4.205 1.00 0.16 H new ATOM 1658 N VAL B 41 -12.308 -1.578 0.533 1.00 0.15 N ATOM 1659 CA VAL B 41 -12.091 -0.369 -0.324 1.00 0.16 C ATOM 1660 C VAL B 41 -13.181 -0.298 -1.396 1.00 0.16 C ATOM 1661 O VAL B 41 -13.315 -1.178 -2.215 1.00 0.18 O ATOM 1662 CB VAL B 41 -10.712 -0.460 -0.987 1.00 0.21 C ATOM 1663 CG1 VAL B 41 -10.286 0.925 -1.474 1.00 0.25 C ATOM 1664 CG2 VAL B 41 -9.690 -0.968 0.034 1.00 0.23 C ATOM 0 H VAL B 41 -12.287 -2.467 0.034 1.00 0.15 H new ATOM 0 HA VAL B 41 -12.138 0.530 0.291 1.00 0.16 H new ATOM 0 HB VAL B 41 -10.762 -1.146 -1.832 1.00 0.21 H new ATOM 0 HG11 VAL B 41 -9.305 0.859 -1.945 1.00 0.25 H new ATOM 0 HG12 VAL B 41 -11.012 1.296 -2.198 1.00 0.25 H new ATOM 0 HG13 VAL B 41 -10.236 1.609 -0.627 1.00 0.25 H new ATOM 0 HG21 VAL B 41 -8.708 -1.034 -0.435 1.00 0.23 H new ATOM 0 HG22 VAL B 41 -9.644 -0.278 0.877 1.00 0.23 H new ATOM 0 HG23 VAL B 41 -9.989 -1.954 0.388 1.00 0.23 H new ATOM 1674 N PHE B 42 -13.970 0.744 -1.392 1.00 0.15 N ATOM 1675 CA PHE B 42 -15.060 0.855 -2.409 1.00 0.17 C ATOM 1676 C PHE B 42 -14.554 1.587 -3.653 1.00 0.21 C ATOM 1677 O PHE B 42 -13.895 2.604 -3.570 1.00 0.23 O ATOM 1678 CB PHE B 42 -16.236 1.643 -1.820 1.00 0.16 C ATOM 1679 CG PHE B 42 -17.008 0.779 -0.845 1.00 0.14 C ATOM 1680 CD1 PHE B 42 -17.662 -0.387 -1.294 1.00 0.14 C ATOM 1681 CD2 PHE B 42 -17.085 1.147 0.513 1.00 0.13 C ATOM 1682 CE1 PHE B 42 -18.386 -1.183 -0.386 1.00 0.14 C ATOM 1683 CE2 PHE B 42 -17.811 0.353 1.418 1.00 0.14 C ATOM 1684 CZ PHE B 42 -18.461 -0.813 0.970 1.00 0.14 C ATOM 0 H PHE B 42 -13.909 1.520 -0.733 1.00 0.15 H new ATOM 0 HA PHE B 42 -15.381 -0.150 -2.684 1.00 0.17 H new ATOM 0 HB2 PHE B 42 -15.868 2.536 -1.314 1.00 0.16 H new ATOM 0 HB3 PHE B 42 -16.895 1.979 -2.620 1.00 0.16 H new ATOM 0 HD1 PHE B 42 -17.607 -0.669 -2.335 1.00 0.14 H new ATOM 0 HD2 PHE B 42 -16.586 2.040 0.859 1.00 0.13 H new ATOM 0 HE1 PHE B 42 -18.884 -2.078 -0.730 1.00 0.14 H new ATOM 0 HE2 PHE B 42 -17.870 0.638 2.458 1.00 0.14 H new ATOM 0 HZ PHE B 42 -19.017 -1.423 1.667 1.00 0.14 H new ATOM 1694 N GLN B 43 -14.894 1.085 -4.811 1.00 0.24 N ATOM 1695 CA GLN B 43 -14.482 1.745 -6.084 1.00 0.28 C ATOM 1696 C GLN B 43 -15.669 2.588 -6.560 1.00 0.30 C ATOM 1697 O GLN B 43 -16.759 2.070 -6.733 1.00 0.30 O ATOM 1698 CB GLN B 43 -14.144 0.669 -7.116 1.00 0.32 C ATOM 1699 CG GLN B 43 -12.931 -0.132 -6.640 1.00 0.32 C ATOM 1700 CD GLN B 43 -12.806 -1.413 -7.469 1.00 0.58 C ATOM 1701 OE1 GLN B 43 -12.402 -2.441 -6.963 1.00 1.29 O ATOM 1702 NE2 GLN B 43 -13.136 -1.392 -8.731 1.00 1.31 N ATOM 0 H GLN B 43 -15.446 0.236 -4.930 1.00 0.24 H new ATOM 0 HA GLN B 43 -13.604 2.375 -5.944 1.00 0.28 H new ATOM 0 HB2 GLN B 43 -14.997 0.006 -7.259 1.00 0.32 H new ATOM 0 HB3 GLN B 43 -13.933 1.129 -8.081 1.00 0.32 H new ATOM 0 HG2 GLN B 43 -12.026 0.467 -6.738 1.00 0.32 H new ATOM 0 HG3 GLN B 43 -13.037 -0.379 -5.584 1.00 0.32 H new ATOM 0 HE21 GLN B 43 -13.475 -0.529 -9.155 1.00 1.31 H new ATOM 0 HE22 GLN B 43 -13.055 -2.239 -9.294 1.00 1.31 H new ATOM 1711 N THR B 44 -15.497 3.887 -6.729 1.00 0.32 N ATOM 1712 CA THR B 44 -16.669 4.740 -7.135 1.00 0.34 C ATOM 1713 C THR B 44 -16.678 5.027 -8.635 1.00 0.39 C ATOM 1714 O THR B 44 -16.100 4.312 -9.429 1.00 0.41 O ATOM 1715 CB THR B 44 -16.605 6.070 -6.386 1.00 0.34 C ATOM 1716 OG1 THR B 44 -15.708 6.940 -7.057 1.00 0.38 O ATOM 1717 CG2 THR B 44 -16.108 5.824 -4.961 1.00 0.29 C ATOM 0 H THR B 44 -14.614 4.383 -6.606 1.00 0.32 H new ATOM 0 HA THR B 44 -17.578 4.191 -6.887 1.00 0.34 H new ATOM 0 HB THR B 44 -17.596 6.523 -6.352 1.00 0.34 H new ATOM 0 HG1 THR B 44 -16.040 7.860 -7.000 1.00 0.38 H new ATOM 0 HG21 THR B 44 -16.061 6.771 -4.423 1.00 0.29 H new ATOM 0 HG22 THR B 44 -16.793 5.149 -4.448 1.00 0.29 H new ATOM 0 HG23 THR B 44 -15.115 5.376 -4.994 1.00 0.29 H new ATOM 1725 N LYS B 45 -17.361 6.082 -9.013 1.00 0.43 N ATOM 1726 CA LYS B 45 -17.469 6.468 -10.453 1.00 0.48 C ATOM 1727 C LYS B 45 -16.729 7.788 -10.697 1.00 0.51 C ATOM 1728 O LYS B 45 -16.355 8.093 -11.812 1.00 0.56 O ATOM 1729 CB LYS B 45 -18.950 6.662 -10.810 1.00 0.50 C ATOM 1730 CG LYS B 45 -19.785 5.517 -10.234 1.00 0.46 C ATOM 1731 CD LYS B 45 -21.259 5.741 -10.587 1.00 0.49 C ATOM 1732 CE LYS B 45 -22.084 4.519 -10.174 1.00 0.54 C ATOM 1733 NZ LYS B 45 -23.523 4.898 -10.090 1.00 1.55 N ATOM 0 H LYS B 45 -17.856 6.701 -8.371 1.00 0.43 H new ATOM 0 HA LYS B 45 -17.029 5.683 -11.068 1.00 0.48 H new ATOM 0 HB2 LYS B 45 -19.305 7.615 -10.417 1.00 0.50 H new ATOM 0 HB3 LYS B 45 -19.069 6.700 -11.893 1.00 0.50 H new ATOM 0 HG2 LYS B 45 -19.443 4.563 -10.637 1.00 0.46 H new ATOM 0 HG3 LYS B 45 -19.661 5.469 -9.152 1.00 0.46 H new ATOM 0 HD2 LYS B 45 -21.632 6.631 -10.080 1.00 0.49 H new ATOM 0 HD3 LYS B 45 -21.363 5.916 -11.658 1.00 0.49 H new ATOM 0 HE2 LYS B 45 -21.950 3.715 -10.897 1.00 0.54 H new ATOM 0 HE3 LYS B 45 -21.739 4.142 -9.211 1.00 0.54 H new ATOM 0 HZ1 LYS B 45 -24.043 4.170 -9.560 1.00 1.55 H new ATOM 0 HZ2 LYS B 45 -23.613 5.812 -9.603 1.00 1.55 H new ATOM 0 HZ3 LYS B 45 -23.918 4.976 -11.049 1.00 1.55 H new ATOM 1747 N ARG B 46 -16.529 8.581 -9.667 1.00 0.50 N ATOM 1748 CA ARG B 46 -15.826 9.897 -9.841 1.00 0.54 C ATOM 1749 C ARG B 46 -14.664 9.966 -8.844 1.00 0.49 C ATOM 1750 O ARG B 46 -14.487 10.930 -8.130 1.00 0.48 O ATOM 1751 CB ARG B 46 -16.833 11.038 -9.580 1.00 0.59 C ATOM 1752 CG ARG B 46 -16.396 12.348 -10.275 1.00 0.72 C ATOM 1753 CD ARG B 46 -15.278 13.054 -9.497 1.00 0.92 C ATOM 1754 NE ARG B 46 -15.223 14.484 -9.911 1.00 1.48 N ATOM 1755 CZ ARG B 46 -14.565 15.348 -9.189 1.00 2.13 C ATOM 1756 NH1 ARG B 46 -13.955 14.960 -8.102 1.00 2.62 N ATOM 1757 NH2 ARG B 46 -14.517 16.601 -9.553 1.00 2.82 N ATOM 0 H ARG B 46 -16.823 8.373 -8.712 1.00 0.50 H new ATOM 0 HA ARG B 46 -15.434 9.997 -10.853 1.00 0.54 H new ATOM 0 HB2 ARG B 46 -17.819 10.745 -9.941 1.00 0.59 H new ATOM 0 HB3 ARG B 46 -16.924 11.207 -8.507 1.00 0.59 H new ATOM 0 HG2 ARG B 46 -16.053 12.127 -11.286 1.00 0.72 H new ATOM 0 HG3 ARG B 46 -17.253 13.015 -10.367 1.00 0.72 H new ATOM 0 HD2 ARG B 46 -15.461 12.980 -8.425 1.00 0.92 H new ATOM 0 HD3 ARG B 46 -14.321 12.569 -9.691 1.00 0.92 H new ATOM 0 HE ARG B 46 -15.700 14.788 -10.760 1.00 1.48 H new ATOM 0 HH11 ARG B 46 -13.993 13.981 -7.818 1.00 2.62 H new ATOM 0 HH12 ARG B 46 -13.440 15.636 -7.537 1.00 2.62 H new ATOM 0 HH21 ARG B 46 -14.994 16.904 -10.402 1.00 2.82 H new ATOM 0 HH22 ARG B 46 -14.002 17.277 -8.988 1.00 2.82 H new ATOM 1771 N SER B 47 -13.864 8.941 -8.799 1.00 0.46 N ATOM 1772 CA SER B 47 -12.701 8.925 -7.881 1.00 0.42 C ATOM 1773 C SER B 47 -11.834 7.729 -8.253 1.00 0.42 C ATOM 1774 O SER B 47 -11.382 7.601 -9.374 1.00 0.46 O ATOM 1775 CB SER B 47 -13.166 8.820 -6.421 1.00 0.38 C ATOM 1776 OG SER B 47 -13.649 7.510 -6.167 1.00 1.07 O ATOM 0 H SER B 47 -13.971 8.102 -9.369 1.00 0.46 H new ATOM 0 HA SER B 47 -12.132 9.850 -7.976 1.00 0.42 H new ATOM 0 HB2 SER B 47 -12.340 9.050 -5.748 1.00 0.38 H new ATOM 0 HB3 SER B 47 -13.950 9.552 -6.225 1.00 0.38 H new ATOM 0 HG SER B 47 -14.557 7.421 -6.525 1.00 1.07 H new ATOM 1782 N LYS B 48 -11.620 6.842 -7.339 1.00 0.38 N ATOM 1783 CA LYS B 48 -10.809 5.638 -7.640 1.00 0.40 C ATOM 1784 C LYS B 48 -11.100 4.596 -6.563 1.00 0.35 C ATOM 1785 O LYS B 48 -12.035 3.834 -6.676 1.00 0.34 O ATOM 1786 CB LYS B 48 -9.302 5.978 -7.703 1.00 0.44 C ATOM 1787 CG LYS B 48 -8.941 7.142 -6.762 1.00 1.11 C ATOM 1788 CD LYS B 48 -7.491 7.577 -7.027 1.00 1.38 C ATOM 1789 CE LYS B 48 -6.540 6.382 -6.891 1.00 2.13 C ATOM 1790 NZ LYS B 48 -5.161 6.876 -6.618 1.00 2.73 N ATOM 0 H LYS B 48 -11.974 6.896 -6.384 1.00 0.38 H new ATOM 0 HA LYS B 48 -11.077 5.243 -8.620 1.00 0.40 H new ATOM 0 HB2 LYS B 48 -8.719 5.098 -7.433 1.00 0.44 H new ATOM 0 HB3 LYS B 48 -9.030 6.239 -8.726 1.00 0.44 H new ATOM 0 HG2 LYS B 48 -9.620 7.980 -6.924 1.00 1.11 H new ATOM 0 HG3 LYS B 48 -9.057 6.834 -5.723 1.00 1.11 H new ATOM 0 HD2 LYS B 48 -7.410 8.002 -8.027 1.00 1.38 H new ATOM 0 HD3 LYS B 48 -7.205 8.359 -6.324 1.00 1.38 H new ATOM 0 HE2 LYS B 48 -6.871 5.730 -6.083 1.00 2.13 H new ATOM 0 HE3 LYS B 48 -6.551 5.788 -7.805 1.00 2.13 H new ATOM 0 HZ1 LYS B 48 -4.514 6.067 -6.525 1.00 2.73 H new ATOM 0 HZ2 LYS B 48 -4.847 7.482 -7.403 1.00 2.73 H new ATOM 0 HZ3 LYS B 48 -5.157 7.425 -5.735 1.00 2.73 H new ATOM 1804 N GLN B 49 -10.318 4.577 -5.509 1.00 0.33 N ATOM 1805 CA GLN B 49 -10.546 3.602 -4.395 1.00 0.30 C ATOM 1806 C GLN B 49 -10.808 4.395 -3.099 1.00 0.25 C ATOM 1807 O GLN B 49 -10.263 5.465 -2.887 1.00 0.26 O ATOM 1808 CB GLN B 49 -9.301 2.688 -4.227 1.00 0.35 C ATOM 1809 CG GLN B 49 -8.431 2.715 -5.487 1.00 0.82 C ATOM 1810 CD GLN B 49 -9.232 2.185 -6.678 1.00 0.89 C ATOM 1811 OE1 GLN B 49 -9.439 2.884 -7.648 1.00 1.53 O ATOM 1812 NE2 GLN B 49 -9.693 0.964 -6.644 1.00 1.52 N ATOM 0 H GLN B 49 -9.524 5.202 -5.372 1.00 0.33 H new ATOM 0 HA GLN B 49 -11.405 2.970 -4.620 1.00 0.30 H new ATOM 0 HB2 GLN B 49 -8.716 3.018 -3.369 1.00 0.35 H new ATOM 0 HB3 GLN B 49 -9.620 1.666 -4.022 1.00 0.35 H new ATOM 0 HG2 GLN B 49 -8.094 3.732 -5.687 1.00 0.82 H new ATOM 0 HG3 GLN B 49 -7.538 2.108 -5.337 1.00 0.82 H new ATOM 0 HE21 GLN B 49 -9.519 0.376 -5.829 1.00 1.52 H new ATOM 0 HE22 GLN B 49 -10.227 0.598 -7.433 1.00 1.52 H new ATOM 1821 N VAL B 50 -11.649 3.880 -2.234 1.00 0.23 N ATOM 1822 CA VAL B 50 -11.958 4.593 -0.954 1.00 0.19 C ATOM 1823 C VAL B 50 -12.002 3.585 0.185 1.00 0.16 C ATOM 1824 O VAL B 50 -12.781 2.660 0.167 1.00 0.15 O ATOM 1825 CB VAL B 50 -13.317 5.286 -1.068 1.00 0.22 C ATOM 1826 CG1 VAL B 50 -13.509 6.228 0.121 1.00 0.24 C ATOM 1827 CG2 VAL B 50 -13.367 6.076 -2.379 1.00 0.31 C ATOM 0 H VAL B 50 -12.137 2.993 -2.360 1.00 0.23 H new ATOM 0 HA VAL B 50 -11.186 5.337 -0.758 1.00 0.19 H new ATOM 0 HB VAL B 50 -14.115 4.544 -1.064 1.00 0.22 H new ATOM 0 HG11 VAL B 50 -14.477 6.722 0.041 1.00 0.24 H new ATOM 0 HG12 VAL B 50 -13.469 5.656 1.048 1.00 0.24 H new ATOM 0 HG13 VAL B 50 -12.718 6.978 0.123 1.00 0.24 H new ATOM 0 HG21 VAL B 50 -14.333 6.573 -2.468 1.00 0.31 H new ATOM 0 HG22 VAL B 50 -12.573 6.823 -2.384 1.00 0.31 H new ATOM 0 HG23 VAL B 50 -13.231 5.395 -3.219 1.00 0.31 H new ATOM 1837 N CYS B 51 -11.175 3.762 1.176 1.00 0.16 N ATOM 1838 CA CYS B 51 -11.158 2.808 2.315 1.00 0.15 C ATOM 1839 C CYS B 51 -12.416 2.998 3.160 1.00 0.14 C ATOM 1840 O CYS B 51 -12.968 4.076 3.240 1.00 0.16 O ATOM 1841 CB CYS B 51 -9.922 3.076 3.170 1.00 0.17 C ATOM 1842 SG CYS B 51 -8.433 2.733 2.200 1.00 0.21 S ATOM 0 H CYS B 51 -10.508 4.530 1.245 1.00 0.16 H new ATOM 0 HA CYS B 51 -11.130 1.785 1.939 1.00 0.15 H new ATOM 0 HB2 CYS B 51 -9.918 4.112 3.508 1.00 0.17 H new ATOM 0 HB3 CYS B 51 -9.941 2.450 4.062 1.00 0.17 H new ATOM 1847 N ALA B 52 -12.880 1.945 3.784 1.00 0.12 N ATOM 1848 CA ALA B 52 -14.113 2.042 4.620 1.00 0.13 C ATOM 1849 C ALA B 52 -13.955 1.163 5.862 1.00 0.15 C ATOM 1850 O ALA B 52 -13.503 0.035 5.786 1.00 0.15 O ATOM 1851 CB ALA B 52 -15.313 1.550 3.807 1.00 0.11 C ATOM 0 H ALA B 52 -12.455 1.018 3.750 1.00 0.12 H new ATOM 0 HA ALA B 52 -14.270 3.078 4.921 1.00 0.13 H new ATOM 0 HB1 ALA B 52 -16.216 1.619 4.413 1.00 0.11 H new ATOM 0 HB2 ALA B 52 -15.426 2.167 2.916 1.00 0.11 H new ATOM 0 HB3 ALA B 52 -15.152 0.513 3.512 1.00 0.11 H new ATOM 1857 N ASP B 53 -14.324 1.674 7.007 1.00 0.18 N ATOM 1858 CA ASP B 53 -14.197 0.877 8.260 1.00 0.22 C ATOM 1859 C ASP B 53 -15.206 -0.298 8.224 1.00 0.21 C ATOM 1860 O ASP B 53 -16.395 -0.050 8.187 1.00 0.22 O ATOM 1861 CB ASP B 53 -14.530 1.778 9.451 1.00 0.27 C ATOM 1862 CG ASP B 53 -14.114 1.085 10.751 1.00 1.35 C ATOM 1863 OD1 ASP B 53 -13.264 0.213 10.687 1.00 2.17 O ATOM 1864 OD2 ASP B 53 -14.654 1.437 11.786 1.00 2.10 O ATOM 0 H ASP B 53 -14.709 2.611 7.127 1.00 0.18 H new ATOM 0 HA ASP B 53 -13.183 0.489 8.351 1.00 0.22 H new ATOM 0 HB2 ASP B 53 -14.012 2.732 9.354 1.00 0.27 H new ATOM 0 HB3 ASP B 53 -15.598 1.995 9.468 1.00 0.27 H new ATOM 1869 N PRO B 54 -14.744 -1.545 8.236 1.00 0.22 N ATOM 1870 CA PRO B 54 -15.678 -2.693 8.203 1.00 0.24 C ATOM 1871 C PRO B 54 -16.597 -2.670 9.434 1.00 0.28 C ATOM 1872 O PRO B 54 -17.511 -3.461 9.552 1.00 0.30 O ATOM 1873 CB PRO B 54 -14.774 -3.949 8.214 1.00 0.27 C ATOM 1874 CG PRO B 54 -13.296 -3.466 8.259 1.00 0.27 C ATOM 1875 CD PRO B 54 -13.310 -1.921 8.278 1.00 0.24 C ATOM 0 HA PRO B 54 -16.328 -2.671 7.328 1.00 0.24 H new ATOM 0 HB2 PRO B 54 -14.999 -4.575 9.078 1.00 0.27 H new ATOM 0 HB3 PRO B 54 -14.951 -4.556 7.326 1.00 0.27 H new ATOM 0 HG2 PRO B 54 -12.793 -3.855 9.144 1.00 0.27 H new ATOM 0 HG3 PRO B 54 -12.746 -3.833 7.392 1.00 0.27 H new ATOM 0 HD2 PRO B 54 -12.827 -1.534 9.175 1.00 0.24 H new ATOM 0 HD3 PRO B 54 -12.770 -1.512 7.424 1.00 0.24 H new ATOM 1883 N SER B 55 -16.349 -1.783 10.355 1.00 0.31 N ATOM 1884 CA SER B 55 -17.194 -1.727 11.582 1.00 0.36 C ATOM 1885 C SER B 55 -18.536 -1.057 11.273 1.00 0.36 C ATOM 1886 O SER B 55 -19.497 -1.219 11.996 1.00 0.40 O ATOM 1887 CB SER B 55 -16.464 -0.926 12.662 1.00 0.40 C ATOM 1888 OG SER B 55 -17.083 -1.163 13.920 1.00 1.42 O ATOM 0 H SER B 55 -15.598 -1.094 10.313 1.00 0.31 H new ATOM 0 HA SER B 55 -17.378 -2.742 11.933 1.00 0.36 H new ATOM 0 HB2 SER B 55 -15.414 -1.217 12.700 1.00 0.40 H new ATOM 0 HB3 SER B 55 -16.492 0.137 12.424 1.00 0.40 H new ATOM 0 HG SER B 55 -16.617 -0.653 14.615 1.00 1.42 H new ATOM 1894 N GLU B 56 -18.615 -0.309 10.206 1.00 0.33 N ATOM 1895 CA GLU B 56 -19.906 0.360 9.864 1.00 0.33 C ATOM 1896 C GLU B 56 -20.823 -0.640 9.151 1.00 0.33 C ATOM 1897 O GLU B 56 -20.492 -1.184 8.116 1.00 0.29 O ATOM 1898 CB GLU B 56 -19.632 1.563 8.957 1.00 0.31 C ATOM 1899 CG GLU B 56 -19.168 2.755 9.800 1.00 0.35 C ATOM 1900 CD GLU B 56 -18.563 3.821 8.887 1.00 1.30 C ATOM 1901 OE1 GLU B 56 -18.565 3.614 7.684 1.00 2.01 O ATOM 1902 OE2 GLU B 56 -18.106 4.828 9.404 1.00 2.08 O ATOM 0 H GLU B 56 -17.847 -0.132 9.559 1.00 0.33 H new ATOM 0 HA GLU B 56 -20.395 0.706 10.775 1.00 0.33 H new ATOM 0 HB2 GLU B 56 -18.870 1.308 8.221 1.00 0.31 H new ATOM 0 HB3 GLU B 56 -20.534 1.826 8.404 1.00 0.31 H new ATOM 0 HG2 GLU B 56 -20.009 3.171 10.355 1.00 0.35 H new ATOM 0 HG3 GLU B 56 -18.431 2.430 10.535 1.00 0.35 H new ATOM 1909 N SER B 57 -21.966 -0.894 9.720 1.00 0.37 N ATOM 1910 CA SER B 57 -22.925 -1.867 9.123 1.00 0.38 C ATOM 1911 C SER B 57 -23.169 -1.586 7.636 1.00 0.35 C ATOM 1912 O SER B 57 -23.257 -2.498 6.838 1.00 0.34 O ATOM 1913 CB SER B 57 -24.254 -1.784 9.873 1.00 0.44 C ATOM 1914 OG SER B 57 -24.068 -2.235 11.209 1.00 1.37 O ATOM 0 H SER B 57 -22.283 -0.462 10.588 1.00 0.37 H new ATOM 0 HA SER B 57 -22.493 -2.864 9.211 1.00 0.38 H new ATOM 0 HB2 SER B 57 -24.622 -0.758 9.871 1.00 0.44 H new ATOM 0 HB3 SER B 57 -25.006 -2.394 9.372 1.00 0.44 H new ATOM 0 HG SER B 57 -24.918 -2.182 11.694 1.00 1.37 H new ATOM 1920 N TRP B 58 -23.310 -0.347 7.249 1.00 0.34 N ATOM 1921 CA TRP B 58 -23.582 -0.062 5.811 1.00 0.32 C ATOM 1922 C TRP B 58 -22.439 -0.598 4.950 1.00 0.27 C ATOM 1923 O TRP B 58 -22.625 -0.939 3.801 1.00 0.27 O ATOM 1924 CB TRP B 58 -23.793 1.444 5.588 1.00 0.34 C ATOM 1925 CG TRP B 58 -22.495 2.188 5.563 1.00 0.31 C ATOM 1926 CD1 TRP B 58 -22.012 2.930 6.585 1.00 0.32 C ATOM 1927 CD2 TRP B 58 -21.531 2.309 4.476 1.00 0.27 C ATOM 1928 NE1 TRP B 58 -20.811 3.496 6.200 1.00 0.29 N ATOM 1929 CE2 TRP B 58 -20.466 3.142 4.914 1.00 0.26 C ATOM 1930 CE3 TRP B 58 -21.469 1.781 3.165 1.00 0.27 C ATOM 1931 CZ2 TRP B 58 -19.379 3.442 4.083 1.00 0.25 C ATOM 1932 CZ3 TRP B 58 -20.376 2.081 2.324 1.00 0.27 C ATOM 1933 CH2 TRP B 58 -19.332 2.910 2.784 1.00 0.26 C ATOM 0 H TRP B 58 -23.250 0.470 7.857 1.00 0.34 H new ATOM 0 HA TRP B 58 -24.500 -0.569 5.515 1.00 0.32 H new ATOM 0 HB2 TRP B 58 -24.321 1.602 4.648 1.00 0.34 H new ATOM 0 HB3 TRP B 58 -24.426 1.844 6.380 1.00 0.34 H new ATOM 0 HD1 TRP B 58 -22.487 3.059 7.546 1.00 0.32 H new ATOM 0 HE1 TRP B 58 -20.248 4.103 6.796 1.00 0.29 H new ATOM 0 HE3 TRP B 58 -22.263 1.144 2.805 1.00 0.27 H new ATOM 0 HZ2 TRP B 58 -18.582 4.078 4.439 1.00 0.25 H new ATOM 0 HZ3 TRP B 58 -20.339 1.674 1.324 1.00 0.27 H new ATOM 0 HH2 TRP B 58 -18.497 3.136 2.138 1.00 0.26 H new ATOM 1944 N VAL B 59 -21.264 -0.699 5.500 1.00 0.24 N ATOM 1945 CA VAL B 59 -20.128 -1.237 4.706 1.00 0.20 C ATOM 1946 C VAL B 59 -20.347 -2.730 4.485 1.00 0.22 C ATOM 1947 O VAL B 59 -20.228 -3.230 3.386 1.00 0.21 O ATOM 1948 CB VAL B 59 -18.824 -1.008 5.468 1.00 0.19 C ATOM 1949 CG1 VAL B 59 -17.649 -1.597 4.681 1.00 0.18 C ATOM 1950 CG2 VAL B 59 -18.626 0.495 5.652 1.00 0.19 C ATOM 0 H VAL B 59 -21.041 -0.434 6.459 1.00 0.24 H new ATOM 0 HA VAL B 59 -20.069 -0.730 3.743 1.00 0.20 H new ATOM 0 HB VAL B 59 -18.871 -1.498 6.440 1.00 0.19 H new ATOM 0 HG11 VAL B 59 -16.723 -1.430 5.231 1.00 0.18 H new ATOM 0 HG12 VAL B 59 -17.802 -2.668 4.545 1.00 0.18 H new ATOM 0 HG13 VAL B 59 -17.585 -1.113 3.706 1.00 0.18 H new ATOM 0 HG21 VAL B 59 -17.698 0.676 6.195 1.00 0.19 H new ATOM 0 HG22 VAL B 59 -18.575 0.977 4.676 1.00 0.19 H new ATOM 0 HG23 VAL B 59 -19.463 0.906 6.217 1.00 0.19 H new ATOM 1960 N GLN B 60 -20.676 -3.442 5.523 1.00 0.25 N ATOM 1961 CA GLN B 60 -20.915 -4.905 5.370 1.00 0.28 C ATOM 1962 C GLN B 60 -22.126 -5.133 4.459 1.00 0.30 C ATOM 1963 O GLN B 60 -22.155 -6.055 3.667 1.00 0.31 O ATOM 1964 CB GLN B 60 -21.183 -5.526 6.742 1.00 0.33 C ATOM 1965 CG GLN B 60 -19.971 -5.302 7.650 1.00 1.25 C ATOM 1966 CD GLN B 60 -20.147 -6.100 8.943 1.00 1.65 C ATOM 1967 OE1 GLN B 60 -19.179 -6.478 9.572 1.00 2.33 O ATOM 1968 NE2 GLN B 60 -21.351 -6.373 9.369 1.00 2.14 N ATOM 0 H GLN B 60 -20.790 -3.078 6.469 1.00 0.25 H new ATOM 0 HA GLN B 60 -20.035 -5.372 4.927 1.00 0.28 H new ATOM 0 HB2 GLN B 60 -22.072 -5.080 7.188 1.00 0.33 H new ATOM 0 HB3 GLN B 60 -21.380 -6.593 6.638 1.00 0.33 H new ATOM 0 HG2 GLN B 60 -19.059 -5.612 7.140 1.00 1.25 H new ATOM 0 HG3 GLN B 60 -19.864 -4.241 7.877 1.00 1.25 H new ATOM 0 HE21 GLN B 60 -22.163 -6.055 8.840 1.00 2.14 H new ATOM 0 HE22 GLN B 60 -21.479 -6.904 10.230 1.00 2.14 H new ATOM 1977 N GLU B 61 -23.127 -4.303 4.569 1.00 0.31 N ATOM 1978 CA GLU B 61 -24.340 -4.469 3.717 1.00 0.33 C ATOM 1979 C GLU B 61 -23.983 -4.249 2.245 1.00 0.31 C ATOM 1980 O GLU B 61 -24.351 -5.025 1.385 1.00 0.32 O ATOM 1981 CB GLU B 61 -25.403 -3.452 4.140 1.00 0.35 C ATOM 1982 CG GLU B 61 -26.713 -3.749 3.410 1.00 0.40 C ATOM 1983 CD GLU B 61 -27.805 -2.804 3.915 1.00 1.29 C ATOM 1984 OE1 GLU B 61 -28.384 -3.097 4.948 1.00 2.03 O ATOM 1985 OE2 GLU B 61 -28.044 -1.803 3.259 1.00 1.99 O ATOM 0 H GLU B 61 -23.158 -3.514 5.215 1.00 0.31 H new ATOM 0 HA GLU B 61 -24.727 -5.480 3.843 1.00 0.33 H new ATOM 0 HB2 GLU B 61 -25.557 -3.498 5.218 1.00 0.35 H new ATOM 0 HB3 GLU B 61 -25.067 -2.441 3.909 1.00 0.35 H new ATOM 0 HG2 GLU B 61 -26.579 -3.625 2.335 1.00 0.40 H new ATOM 0 HG3 GLU B 61 -27.008 -4.785 3.577 1.00 0.40 H new ATOM 1992 N TYR B 62 -23.278 -3.194 1.947 1.00 0.28 N ATOM 1993 CA TYR B 62 -22.904 -2.920 0.530 1.00 0.28 C ATOM 1994 C TYR B 62 -22.033 -4.062 -0.002 1.00 0.28 C ATOM 1995 O TYR B 62 -22.113 -4.427 -1.158 1.00 0.30 O ATOM 1996 CB TYR B 62 -22.130 -1.592 0.445 1.00 0.25 C ATOM 1997 CG TYR B 62 -23.091 -0.415 0.408 1.00 0.27 C ATOM 1998 CD1 TYR B 62 -24.132 -0.304 1.355 1.00 0.29 C ATOM 1999 CD2 TYR B 62 -22.942 0.577 -0.585 1.00 0.27 C ATOM 2000 CE1 TYR B 62 -25.015 0.791 1.307 1.00 0.32 C ATOM 2001 CE2 TYR B 62 -23.826 1.670 -0.630 1.00 0.29 C ATOM 2002 CZ TYR B 62 -24.862 1.777 0.315 1.00 0.31 C ATOM 2003 OH TYR B 62 -25.731 2.847 0.268 1.00 0.34 O ATOM 0 H TYR B 62 -22.944 -2.508 2.624 1.00 0.28 H new ATOM 0 HA TYR B 62 -23.808 -2.846 -0.074 1.00 0.28 H new ATOM 0 HB2 TYR B 62 -21.464 -1.498 1.302 1.00 0.25 H new ATOM 0 HB3 TYR B 62 -21.504 -1.586 -0.447 1.00 0.25 H new ATOM 0 HD1 TYR B 62 -24.251 -1.060 2.117 1.00 0.29 H new ATOM 0 HD2 TYR B 62 -22.147 0.497 -1.312 1.00 0.27 H new ATOM 0 HE1 TYR B 62 -25.811 0.874 2.032 1.00 0.32 H new ATOM 0 HE2 TYR B 62 -23.709 2.428 -1.391 1.00 0.29 H new ATOM 0 HH TYR B 62 -25.485 3.436 -0.476 1.00 0.34 H new ATOM 2013 N VAL B 63 -21.213 -4.636 0.830 1.00 0.27 N ATOM 2014 CA VAL B 63 -20.357 -5.757 0.368 1.00 0.28 C ATOM 2015 C VAL B 63 -21.261 -6.923 -0.001 1.00 0.32 C ATOM 2016 O VAL B 63 -21.051 -7.607 -0.982 1.00 0.34 O ATOM 2017 CB VAL B 63 -19.407 -6.169 1.495 1.00 0.28 C ATOM 2018 CG1 VAL B 63 -18.696 -7.474 1.128 1.00 0.32 C ATOM 2019 CG2 VAL B 63 -18.367 -5.065 1.709 1.00 0.25 C ATOM 0 H VAL B 63 -21.099 -4.376 1.810 1.00 0.27 H new ATOM 0 HA VAL B 63 -19.766 -5.456 -0.497 1.00 0.28 H new ATOM 0 HB VAL B 63 -19.979 -6.319 2.410 1.00 0.28 H new ATOM 0 HG11 VAL B 63 -18.022 -7.760 1.935 1.00 0.32 H new ATOM 0 HG12 VAL B 63 -19.435 -8.261 0.976 1.00 0.32 H new ATOM 0 HG13 VAL B 63 -18.124 -7.331 0.211 1.00 0.32 H new ATOM 0 HG21 VAL B 63 -17.688 -5.355 2.511 1.00 0.25 H new ATOM 0 HG22 VAL B 63 -17.800 -4.916 0.790 1.00 0.25 H new ATOM 0 HG23 VAL B 63 -18.872 -4.137 1.978 1.00 0.25 H new ATOM 2029 N TYR B 64 -22.274 -7.147 0.782 1.00 0.34 N ATOM 2030 CA TYR B 64 -23.206 -8.262 0.489 1.00 0.38 C ATOM 2031 C TYR B 64 -23.903 -7.996 -0.843 1.00 0.39 C ATOM 2032 O TYR B 64 -24.049 -8.871 -1.671 1.00 0.41 O ATOM 2033 CB TYR B 64 -24.251 -8.353 1.604 1.00 0.41 C ATOM 2034 CG TYR B 64 -24.932 -9.701 1.557 1.00 0.46 C ATOM 2035 CD1 TYR B 64 -24.255 -10.850 2.011 1.00 0.48 C ATOM 2036 CD2 TYR B 64 -26.247 -9.811 1.060 1.00 0.49 C ATOM 2037 CE1 TYR B 64 -24.890 -12.106 1.967 1.00 0.52 C ATOM 2038 CE2 TYR B 64 -26.881 -11.068 1.017 1.00 0.54 C ATOM 2039 CZ TYR B 64 -26.203 -12.214 1.470 1.00 0.55 C ATOM 2040 OH TYR B 64 -26.825 -13.445 1.427 1.00 0.60 O ATOM 0 H TYR B 64 -22.497 -6.603 1.616 1.00 0.34 H new ATOM 0 HA TYR B 64 -22.654 -9.200 0.431 1.00 0.38 H new ATOM 0 HB2 TYR B 64 -23.775 -8.209 2.574 1.00 0.41 H new ATOM 0 HB3 TYR B 64 -24.988 -7.558 1.490 1.00 0.41 H new ATOM 0 HD1 TYR B 64 -23.248 -10.767 2.393 1.00 0.48 H new ATOM 0 HD2 TYR B 64 -26.768 -8.931 0.712 1.00 0.49 H new ATOM 0 HE1 TYR B 64 -24.370 -12.986 2.314 1.00 0.52 H new ATOM 0 HE2 TYR B 64 -27.888 -11.152 0.636 1.00 0.54 H new ATOM 0 HH TYR B 64 -27.727 -13.343 1.058 1.00 0.60 H new ATOM 2050 N ASP B 65 -24.335 -6.787 -1.043 1.00 0.36 N ATOM 2051 CA ASP B 65 -25.034 -6.437 -2.312 1.00 0.37 C ATOM 2052 C ASP B 65 -24.083 -6.639 -3.496 1.00 0.37 C ATOM 2053 O ASP B 65 -24.487 -7.040 -4.570 1.00 0.40 O ATOM 2054 CB ASP B 65 -25.476 -4.972 -2.251 1.00 0.35 C ATOM 2055 CG ASP B 65 -26.742 -4.848 -1.400 1.00 0.39 C ATOM 2056 OD1 ASP B 65 -27.764 -5.368 -1.815 1.00 1.15 O ATOM 2057 OD2 ASP B 65 -26.667 -4.235 -0.347 1.00 1.11 O ATOM 0 H ASP B 65 -24.235 -6.019 -0.380 1.00 0.36 H new ATOM 0 HA ASP B 65 -25.906 -7.079 -2.441 1.00 0.37 H new ATOM 0 HB2 ASP B 65 -24.680 -4.360 -1.827 1.00 0.35 H new ATOM 0 HB3 ASP B 65 -25.665 -4.597 -3.257 1.00 0.35 H new ATOM 2062 N LEU B 66 -22.827 -6.360 -3.307 1.00 0.33 N ATOM 2063 CA LEU B 66 -21.845 -6.529 -4.414 1.00 0.34 C ATOM 2064 C LEU B 66 -21.601 -8.021 -4.661 1.00 0.39 C ATOM 2065 O LEU B 66 -21.304 -8.438 -5.762 1.00 0.42 O ATOM 2066 CB LEU B 66 -20.533 -5.841 -4.017 1.00 0.31 C ATOM 2067 CG LEU B 66 -20.632 -4.321 -4.266 1.00 0.28 C ATOM 2068 CD1 LEU B 66 -19.598 -3.589 -3.409 1.00 0.24 C ATOM 2069 CD2 LEU B 66 -20.353 -4.001 -5.744 1.00 0.30 C ATOM 0 H LEU B 66 -22.434 -6.020 -2.429 1.00 0.33 H new ATOM 0 HA LEU B 66 -22.232 -6.081 -5.329 1.00 0.34 H new ATOM 0 HB2 LEU B 66 -20.318 -6.031 -2.966 1.00 0.31 H new ATOM 0 HB3 LEU B 66 -19.706 -6.258 -4.592 1.00 0.31 H new ATOM 0 HG LEU B 66 -21.639 -3.995 -4.004 1.00 0.28 H new ATOM 0 HD11 LEU B 66 -19.671 -2.516 -3.588 1.00 0.24 H new ATOM 0 HD12 LEU B 66 -19.787 -3.795 -2.355 1.00 0.24 H new ATOM 0 HD13 LEU B 66 -18.598 -3.933 -3.672 1.00 0.24 H new ATOM 0 HD21 LEU B 66 -20.427 -2.925 -5.904 1.00 0.30 H new ATOM 0 HD22 LEU B 66 -19.351 -4.339 -6.007 1.00 0.30 H new ATOM 0 HD23 LEU B 66 -21.084 -4.512 -6.371 1.00 0.30 H new ATOM 2081 N GLU B 67 -21.730 -8.824 -3.645 1.00 0.40 N ATOM 2082 CA GLU B 67 -21.513 -10.289 -3.821 1.00 0.45 C ATOM 2083 C GLU B 67 -22.684 -10.876 -4.606 1.00 0.50 C ATOM 2084 O GLU B 67 -22.547 -11.854 -5.313 1.00 0.55 O ATOM 2085 CB GLU B 67 -21.440 -10.958 -2.447 1.00 0.46 C ATOM 2086 CG GLU B 67 -20.162 -10.518 -1.724 1.00 0.44 C ATOM 2087 CD GLU B 67 -18.969 -11.335 -2.231 1.00 1.13 C ATOM 2088 OE1 GLU B 67 -18.711 -12.384 -1.663 1.00 1.88 O ATOM 2089 OE2 GLU B 67 -18.336 -10.896 -3.176 1.00 1.81 O ATOM 0 H GLU B 67 -21.976 -8.532 -2.699 1.00 0.40 H new ATOM 0 HA GLU B 67 -20.582 -10.462 -4.361 1.00 0.45 H new ATOM 0 HB2 GLU B 67 -22.315 -10.690 -1.855 1.00 0.46 H new ATOM 0 HB3 GLU B 67 -21.451 -12.042 -2.559 1.00 0.46 H new ATOM 0 HG2 GLU B 67 -19.985 -9.456 -1.894 1.00 0.44 H new ATOM 0 HG3 GLU B 67 -20.277 -10.654 -0.649 1.00 0.44 H new ATOM 2096 N LEU B 68 -23.837 -10.279 -4.487 1.00 0.49 N ATOM 2097 CA LEU B 68 -25.023 -10.795 -5.228 1.00 0.54 C ATOM 2098 C LEU B 68 -24.925 -10.381 -6.697 1.00 0.56 C ATOM 2099 O LEU B 68 -24.472 -11.133 -7.536 1.00 0.62 O ATOM 2100 CB LEU B 68 -26.299 -10.214 -4.627 1.00 0.55 C ATOM 2101 CG LEU B 68 -26.448 -10.676 -3.174 1.00 0.55 C ATOM 2102 CD1 LEU B 68 -27.678 -10.003 -2.576 1.00 0.56 C ATOM 2103 CD2 LEU B 68 -26.613 -12.208 -3.109 1.00 0.61 C ATOM 0 H LEU B 68 -24.010 -9.456 -3.909 1.00 0.49 H new ATOM 0 HA LEU B 68 -25.048 -11.882 -5.152 1.00 0.54 H new ATOM 0 HB2 LEU B 68 -26.269 -9.125 -4.670 1.00 0.55 H new ATOM 0 HB3 LEU B 68 -27.164 -10.532 -5.210 1.00 0.55 H new ATOM 0 HG LEU B 68 -25.555 -10.402 -2.612 1.00 0.55 H new ATOM 0 HD11 LEU B 68 -27.799 -10.321 -1.541 1.00 0.56 H new ATOM 0 HD12 LEU B 68 -27.554 -8.921 -2.611 1.00 0.56 H new ATOM 0 HD13 LEU B 68 -28.562 -10.285 -3.148 1.00 0.56 H new ATOM 0 HD21 LEU B 68 -26.718 -12.519 -2.070 1.00 0.61 H new ATOM 0 HD22 LEU B 68 -27.502 -12.502 -3.667 1.00 0.61 H new ATOM 0 HD23 LEU B 68 -25.736 -12.687 -3.545 1.00 0.61 H new ATOM 2115 N ASN B 69 -25.346 -9.186 -7.015 1.00 0.61 N ATOM 2116 CA ASN B 69 -25.280 -8.715 -8.429 1.00 0.64 C ATOM 2117 C ASN B 69 -23.927 -8.048 -8.683 1.00 0.70 C ATOM 2118 O ASN B 69 -23.486 -7.304 -7.823 1.00 1.15 O ATOM 2119 CB ASN B 69 -26.400 -7.704 -8.680 1.00 0.82 C ATOM 2120 CG ASN B 69 -26.208 -6.491 -7.768 1.00 1.67 C ATOM 2121 OD1 ASN B 69 -26.562 -6.527 -6.605 1.00 2.45 O ATOM 2122 ND2 ASN B 69 -25.659 -5.409 -8.247 1.00 2.41 N ATOM 2123 OXT ASN B 69 -23.354 -8.294 -9.731 1.00 1.44 O ATOM 0 H ASN B 69 -25.734 -8.513 -6.354 1.00 0.61 H new ATOM 0 HA ASN B 69 -25.398 -9.565 -9.101 1.00 0.64 H new ATOM 0 HB2 ASN B 69 -26.395 -7.391 -9.724 1.00 0.82 H new ATOM 0 HB3 ASN B 69 -27.369 -8.165 -8.490 1.00 0.82 H new ATOM 0 HD21 ASN B 69 -25.527 -4.595 -7.646 1.00 2.41 H new ATOM 0 HD22 ASN B 69 -25.361 -5.377 -9.222 1.00 2.41 H new TER 2130 ASN B 69 HETATM 2131 O HOH A 201 6.763 1.572 6.084 1.00 0.36 O HETATM 2134 O HOH A 202 4.298 5.619 6.677 1.00 0.70 O HETATM 2137 O HOH B 301 -6.466 -1.329 5.959 1.00 0.35 O HETATM 2140 O HOH B 302 -4.422 -5.468 6.743 1.00 1.65 O