USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: D 71 ASN : amide:sc= -3.31 K(o=-4.3,f=-5.3!) USER MOD Set 1.2: D 72 CYS SG : rot 180:sc= -1 USER MOD Set 2.1: B 31 SER OG : rot 180:sc= 0.0242 USER MOD Set 2.2: C 53 SER OG : rot -139:sc= 0.302 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 5 ASN : amide:sc= -0.581 K(o=-0.58,f=-1.5) USER MOD Single : A 6 CYS SG : rot 34:sc= 0.101 USER MOD Single : A 7 TYR OH : rot -145:sc= 1.25 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= 0.224 K(o=0.22,f=-3.4!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : B 24 ASN : amide:sc= 0.0503 X(o=0.05,f=0) USER MOD Single : B 27 ASN : amide:sc= -1.21 K(o=-1.2,f=-4.4!) USER MOD Single : B 28 CYS SG : rot 180:sc= -0.0364 USER MOD Single : B 29 TYR OH : rot 133:sc= 0.107 USER MOD Single : B 34 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.015) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 SER OG : rot 180:sc= 0 USER MOD Single : C 46 ASN : amide:sc= -0.31 K(o=-0.31,f=-2.6!) USER MOD Single : C 49 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.52) USER MOD Single : C 50 CYS SG : rot 180:sc= -1.3 USER MOD Single : C 51 TYR OH : rot 144:sc= 0.383 USER MOD Single : C 56 HIS : no HD1:sc= -0.0408 X(o=-0.041,f=-0.041) USER MOD Single : C 58 SER OG : rot -147:sc= -0.112 USER MOD Single : C 66 LYS NZ :NH3+ 156:sc= -0.011 (180deg=-0.372) USER MOD Single : D 67 SER OG : rot 180:sc= 0 USER MOD Single : D 68 ASN : amide:sc= -0.659 X(o=-0.66,f=-0.57) USER MOD Single : D 73 TYR OH : rot -149:sc= -0.367 USER MOD Single : D 75 SER OG : rot -79:sc= 0.538 USER MOD Single : D 78 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.22) USER MOD Single : D 80 SER OG : rot 62:sc= 0.108 USER MOD ----------------------------------------------------------------- ATOM 14 N ASN A 2 14.317 6.179 -4.308 1.00 0.00 N ATOM 15 CA ASN A 2 13.145 7.022 -4.508 1.00 0.00 C ATOM 16 C ASN A 2 11.935 6.188 -4.916 1.00 0.00 C ATOM 17 O ASN A 2 12.055 5.239 -5.691 1.00 0.00 O ATOM 18 CB ASN A 2 13.431 8.082 -5.573 1.00 0.00 C ATOM 19 CG ASN A 2 12.274 9.044 -5.755 1.00 0.00 C ATOM 20 OD1 ASN A 2 11.649 9.473 -4.784 1.00 0.00 O ATOM 21 ND2 ASN A 2 11.983 9.389 -7.004 1.00 0.00 N ATOM 0 HA ASN A 2 12.919 7.516 -3.563 1.00 0.00 H new ATOM 0 HB2 ASN A 2 14.325 8.641 -5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 2 13.645 7.591 -6.522 1.00 0.00 H new ATOM 0 HD21 ASN A 2 11.215 10.034 -7.189 1.00 0.00 H new ATOM 0 HD22 ASN A 2 12.528 9.009 -7.778 1.00 0.00 H new ATOM 28 N PHE A 3 10.769 6.548 -4.387 1.00 0.00 N ATOM 29 CA PHE A 3 9.537 5.830 -4.697 1.00 0.00 C ATOM 30 C PHE A 3 8.313 6.637 -4.276 1.00 0.00 C ATOM 31 O PHE A 3 8.193 7.045 -3.121 1.00 0.00 O ATOM 32 CB PHE A 3 9.528 4.468 -4.000 1.00 0.00 C ATOM 33 CG PHE A 3 8.370 3.597 -4.397 1.00 0.00 C ATOM 34 CD1 PHE A 3 8.228 3.162 -5.704 1.00 0.00 C ATOM 35 CD2 PHE A 3 7.427 3.210 -3.460 1.00 0.00 C ATOM 36 CE1 PHE A 3 7.165 2.359 -6.070 1.00 0.00 C ATOM 37 CE2 PHE A 3 6.363 2.405 -3.819 1.00 0.00 C ATOM 38 CZ PHE A 3 6.231 1.979 -5.126 1.00 0.00 C ATOM 0 H PHE A 3 10.652 7.331 -3.743 1.00 0.00 H new ATOM 0 HA PHE A 3 9.496 5.680 -5.776 1.00 0.00 H new ATOM 0 HB2 PHE A 3 10.458 3.947 -4.227 1.00 0.00 H new ATOM 0 HB3 PHE A 3 9.503 4.621 -2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.957 3.454 -6.446 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.524 3.541 -2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 3 7.064 2.029 -7.093 1.00 0.00 H new ATOM 0 HE2 PHE A 3 5.635 2.109 -3.078 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.400 1.350 -5.409 1.00 0.00 H new ATOM 48 N LEU A 4 7.406 6.861 -5.221 1.00 0.00 N ATOM 49 CA LEU A 4 6.189 7.618 -4.950 1.00 0.00 C ATOM 50 C LEU A 4 4.957 6.870 -5.447 1.00 0.00 C ATOM 51 O LEU A 4 4.556 7.014 -6.602 1.00 0.00 O ATOM 52 CB LEU A 4 6.263 8.994 -5.613 1.00 0.00 C ATOM 53 CG LEU A 4 7.625 9.684 -5.529 1.00 0.00 C ATOM 54 CD1 LEU A 4 7.571 11.051 -6.195 1.00 0.00 C ATOM 55 CD2 LEU A 4 8.068 9.811 -4.078 1.00 0.00 C ATOM 0 H LEU A 4 7.491 6.529 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 4 6.104 7.743 -3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.991 8.889 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.516 9.642 -5.154 1.00 0.00 H new ATOM 0 HG LEU A 4 8.356 9.073 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.549 11.528 -6.126 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.297 10.934 -7.244 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.828 11.671 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.039 10.304 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.337 10.401 -3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.145 8.819 -3.633 1.00 0.00 H new ATOM 67 N ASN A 5 4.356 6.076 -4.567 1.00 0.00 N ATOM 68 CA ASN A 5 3.165 5.311 -4.918 1.00 0.00 C ATOM 69 C ASN A 5 1.946 5.843 -4.171 1.00 0.00 C ATOM 70 O ASN A 5 1.556 5.307 -3.134 1.00 0.00 O ATOM 71 CB ASN A 5 3.366 3.831 -4.599 1.00 0.00 C ATOM 72 CG ASN A 5 2.519 2.931 -5.477 1.00 0.00 C ATOM 73 OD1 ASN A 5 3.037 2.216 -6.335 1.00 0.00 O ATOM 74 ND2 ASN A 5 1.209 2.965 -5.269 1.00 0.00 N ATOM 0 H ASN A 5 4.674 5.946 -3.607 1.00 0.00 H new ATOM 0 HA ASN A 5 2.995 5.420 -5.989 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.417 3.574 -4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.119 3.651 -3.553 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.588 2.383 -5.831 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.823 3.573 -4.547 1.00 0.00 H new ATOM 81 N CYS A 6 1.352 6.904 -4.707 1.00 0.00 N ATOM 82 CA CYS A 6 0.179 7.514 -4.092 1.00 0.00 C ATOM 83 C CYS A 6 -1.106 6.941 -4.678 1.00 0.00 C ATOM 84 O CYS A 6 -1.287 6.911 -5.895 1.00 0.00 O ATOM 85 CB CYS A 6 0.209 9.031 -4.282 1.00 0.00 C ATOM 86 SG CYS A 6 0.375 9.557 -6.004 1.00 0.00 S ATOM 0 H CYS A 6 1.663 7.359 -5.565 1.00 0.00 H new ATOM 0 HA CYS A 6 0.201 7.287 -3.026 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.706 9.456 -3.870 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.038 9.442 -3.706 1.00 0.00 H new ATOM 0 HG CYS A 6 -0.252 8.719 -6.776 1.00 0.00 H new ATOM 92 N TYR A 7 -1.996 6.489 -3.801 1.00 0.00 N ATOM 93 CA TYR A 7 -3.268 5.917 -4.226 1.00 0.00 C ATOM 94 C TYR A 7 -4.430 6.798 -3.784 1.00 0.00 C ATOM 95 O TYR A 7 -4.298 7.594 -2.855 1.00 0.00 O ATOM 96 CB TYR A 7 -3.436 4.514 -3.644 1.00 0.00 C ATOM 97 CG TYR A 7 -4.121 3.545 -4.578 1.00 0.00 C ATOM 98 CD1 TYR A 7 -3.563 3.225 -5.807 1.00 0.00 C ATOM 99 CD2 TYR A 7 -5.320 2.943 -4.225 1.00 0.00 C ATOM 100 CE1 TYR A 7 -4.181 2.332 -6.660 1.00 0.00 C ATOM 101 CE2 TYR A 7 -5.944 2.047 -5.071 1.00 0.00 C ATOM 102 CZ TYR A 7 -5.372 1.744 -6.287 1.00 0.00 C ATOM 103 OH TYR A 7 -5.990 0.851 -7.132 1.00 0.00 O ATOM 0 H TYR A 7 -1.859 6.508 -2.790 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.268 5.858 -5.314 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.454 4.119 -3.382 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.010 4.580 -2.720 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.630 3.682 -6.102 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.773 3.179 -3.273 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.734 2.095 -7.614 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.876 1.586 -4.780 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.962 0.948 -7.056 1.00 0.00 H new ATOM 113 N VAL A 8 -5.568 6.649 -4.451 1.00 0.00 N ATOM 114 CA VAL A 8 -6.746 7.434 -4.114 1.00 0.00 C ATOM 115 C VAL A 8 -7.947 7.038 -4.968 1.00 0.00 C ATOM 116 O VAL A 8 -8.016 7.374 -6.149 1.00 0.00 O ATOM 117 CB VAL A 8 -6.478 8.943 -4.282 1.00 0.00 C ATOM 118 CG1 VAL A 8 -6.107 9.267 -5.721 1.00 0.00 C ATOM 119 CG2 VAL A 8 -7.684 9.757 -3.837 1.00 0.00 C ATOM 0 H VAL A 8 -5.699 5.996 -5.223 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.974 7.225 -3.069 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.635 9.212 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.922 10.337 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.207 8.717 -5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.925 8.979 -6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.473 10.819 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.550 9.484 -4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.894 9.552 -2.787 1.00 0.00 H new ATOM 129 N SER A 9 -8.894 6.333 -4.347 1.00 0.00 N ATOM 130 CA SER A 9 -10.118 5.884 -5.022 1.00 0.00 C ATOM 131 C SER A 9 -9.882 5.534 -6.494 1.00 0.00 C ATOM 132 O SER A 9 -9.857 6.414 -7.355 1.00 0.00 O ATOM 133 CB SER A 9 -11.199 6.963 -4.918 1.00 0.00 C ATOM 134 OG SER A 9 -12.450 6.478 -5.376 1.00 0.00 O ATOM 0 H SER A 9 -8.837 6.057 -3.367 1.00 0.00 H new ATOM 0 HA SER A 9 -10.446 4.975 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.290 7.292 -3.883 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.906 7.833 -5.505 1.00 0.00 H new ATOM 0 HG SER A 9 -13.124 7.185 -5.298 1.00 0.00 H new ATOM 140 N GLY A 10 -9.721 4.244 -6.778 1.00 0.00 N ATOM 141 CA GLY A 10 -9.500 3.812 -8.148 1.00 0.00 C ATOM 142 C GLY A 10 -9.153 2.339 -8.250 1.00 0.00 C ATOM 143 O GLY A 10 -8.187 1.879 -7.642 1.00 0.00 O ATOM 0 H GLY A 10 -9.739 3.493 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.396 4.011 -8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.694 4.402 -8.585 1.00 0.00 H new ATOM 147 N PHE A 11 -9.942 1.598 -9.026 1.00 0.00 N ATOM 148 CA PHE A 11 -9.714 0.168 -9.213 1.00 0.00 C ATOM 149 C PHE A 11 -10.752 -0.435 -10.155 1.00 0.00 C ATOM 150 O PHE A 11 -11.802 0.161 -10.401 1.00 0.00 O ATOM 151 CB PHE A 11 -9.753 -0.557 -7.866 1.00 0.00 C ATOM 152 CG PHE A 11 -9.529 -2.039 -7.972 1.00 0.00 C ATOM 153 CD1 PHE A 11 -8.253 -2.550 -8.154 1.00 0.00 C ATOM 154 CD2 PHE A 11 -10.594 -2.923 -7.887 1.00 0.00 C ATOM 155 CE1 PHE A 11 -8.045 -3.913 -8.249 1.00 0.00 C ATOM 156 CE2 PHE A 11 -10.390 -4.288 -7.981 1.00 0.00 C ATOM 157 CZ PHE A 11 -9.115 -4.783 -8.162 1.00 0.00 C ATOM 0 H PHE A 11 -10.745 1.966 -9.536 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.728 0.042 -9.660 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.994 -0.130 -7.211 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.719 -0.377 -7.394 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.412 -1.875 -8.222 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.594 -2.541 -7.746 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.046 -4.298 -8.391 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.228 -4.966 -7.913 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.954 -5.848 -8.236 1.00 0.00 H new ATOM 167 N HIS A 12 -10.454 -1.622 -10.675 1.00 0.00 N ATOM 168 CA HIS A 12 -11.362 -2.310 -11.587 1.00 0.00 C ATOM 169 C HIS A 12 -10.986 -3.787 -11.725 1.00 0.00 C ATOM 170 O HIS A 12 -11.740 -4.665 -11.309 1.00 0.00 O ATOM 171 CB HIS A 12 -11.360 -1.629 -12.958 1.00 0.00 C ATOM 172 CG HIS A 12 -12.664 -0.982 -13.307 1.00 0.00 C ATOM 173 ND1 HIS A 12 -13.520 -0.453 -12.363 1.00 0.00 N ATOM 174 CD2 HIS A 12 -13.260 -0.780 -14.506 1.00 0.00 C ATOM 175 CE1 HIS A 12 -14.585 0.043 -12.966 1.00 0.00 C ATOM 176 NE2 HIS A 12 -14.451 -0.142 -14.267 1.00 0.00 N ATOM 0 H HIS A 12 -9.590 -2.128 -10.480 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.367 -2.254 -11.170 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.573 -0.875 -12.979 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -11.115 -2.368 -13.721 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -13.356 -0.446 -11.356 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -12.870 -1.068 -15.471 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -15.423 0.519 -12.478 1.00 0.00 H new ATOM 185 N PRO A 13 -9.808 -4.082 -12.309 1.00 0.00 N ATOM 186 CA PRO A 13 -9.343 -5.464 -12.489 1.00 0.00 C ATOM 187 C PRO A 13 -9.033 -6.141 -11.159 1.00 0.00 C ATOM 188 O PRO A 13 -8.124 -5.726 -10.441 1.00 0.00 O ATOM 189 CB PRO A 13 -8.068 -5.307 -13.322 1.00 0.00 C ATOM 190 CG PRO A 13 -7.598 -3.925 -13.034 1.00 0.00 C ATOM 191 CD PRO A 13 -8.838 -3.103 -12.832 1.00 0.00 C ATOM 0 HA PRO A 13 -10.098 -6.092 -12.962 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.318 -6.047 -13.042 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.269 -5.444 -14.384 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.967 -3.904 -12.146 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.001 -3.536 -13.859 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.670 -2.287 -12.129 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.181 -2.655 -13.765 1.00 0.00 H new ATOM 199 N SER A 14 -9.801 -7.181 -10.836 1.00 0.00 N ATOM 200 CA SER A 14 -9.629 -7.926 -9.586 1.00 0.00 C ATOM 201 C SER A 14 -8.157 -8.101 -9.214 1.00 0.00 C ATOM 202 O SER A 14 -7.738 -7.733 -8.114 1.00 0.00 O ATOM 203 CB SER A 14 -10.299 -9.296 -9.694 1.00 0.00 C ATOM 204 OG SER A 14 -11.659 -9.232 -9.302 1.00 0.00 O ATOM 0 H SER A 14 -10.555 -7.530 -11.427 1.00 0.00 H new ATOM 0 HA SER A 14 -10.102 -7.343 -8.796 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.230 -9.658 -10.720 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.770 -10.013 -9.066 1.00 0.00 H new ATOM 0 HG SER A 14 -12.065 -10.121 -9.382 1.00 0.00 H new ATOM 210 N ASP A 15 -7.378 -8.673 -10.125 1.00 0.00 N ATOM 211 CA ASP A 15 -5.957 -8.902 -9.878 1.00 0.00 C ATOM 212 C ASP A 15 -5.132 -7.660 -10.201 1.00 0.00 C ATOM 213 O ASP A 15 -5.173 -7.147 -11.319 1.00 0.00 O ATOM 214 CB ASP A 15 -5.460 -10.093 -10.701 1.00 0.00 C ATOM 215 CG ASP A 15 -4.804 -11.156 -9.841 1.00 0.00 C ATOM 216 OD1 ASP A 15 -5.536 -11.985 -9.260 1.00 0.00 O ATOM 217 OD2 ASP A 15 -3.559 -11.159 -9.747 1.00 0.00 O ATOM 0 H ASP A 15 -7.704 -8.986 -11.039 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.833 -9.124 -8.818 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.298 -10.533 -11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.748 -9.743 -11.448 1.00 0.00 H new ATOM 222 N ILE A 16 -4.380 -7.183 -9.211 1.00 0.00 N ATOM 223 CA ILE A 16 -3.541 -6.004 -9.388 1.00 0.00 C ATOM 224 C ILE A 16 -2.276 -6.102 -8.537 1.00 0.00 C ATOM 225 O ILE A 16 -2.332 -6.453 -7.357 1.00 0.00 O ATOM 226 CB ILE A 16 -4.312 -4.710 -9.032 1.00 0.00 C ATOM 227 CG1 ILE A 16 -5.314 -4.377 -10.138 1.00 0.00 C ATOM 228 CG2 ILE A 16 -3.355 -3.543 -8.814 1.00 0.00 C ATOM 229 CD1 ILE A 16 -4.660 -4.041 -11.462 1.00 0.00 C ATOM 0 H ILE A 16 -4.336 -7.596 -8.279 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.257 -5.961 -10.439 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.853 -4.879 -8.101 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.985 -5.225 -10.278 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.928 -3.534 -9.820 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.924 -2.647 -8.565 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.674 -3.779 -7.996 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.782 -3.368 -9.724 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.429 -3.815 -12.201 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.011 -3.174 -11.338 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.069 -4.891 -11.802 1.00 0.00 H new ATOM 241 N GLU A 17 -1.136 -5.789 -9.146 1.00 0.00 N ATOM 242 CA GLU A 17 0.144 -5.840 -8.450 1.00 0.00 C ATOM 243 C GLU A 17 1.090 -4.762 -8.972 1.00 0.00 C ATOM 244 O GLU A 17 1.115 -4.471 -10.169 1.00 0.00 O ATOM 245 CB GLU A 17 0.783 -7.221 -8.613 1.00 0.00 C ATOM 246 CG GLU A 17 0.730 -7.752 -10.037 1.00 0.00 C ATOM 247 CD GLU A 17 1.760 -8.834 -10.294 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.950 -8.603 -9.995 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.376 -9.913 -10.792 1.00 0.00 O ATOM 0 H GLU A 17 -1.073 -5.497 -10.121 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.038 -5.656 -7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.823 -7.171 -8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.278 -7.926 -7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.266 -8.149 -10.236 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.891 -6.929 -10.734 1.00 0.00 H new ATOM 256 N VAL A 18 1.865 -4.172 -8.067 1.00 0.00 N ATOM 257 CA VAL A 18 2.812 -3.125 -8.434 1.00 0.00 C ATOM 258 C VAL A 18 4.250 -3.622 -8.328 1.00 0.00 C ATOM 259 O VAL A 18 4.528 -4.605 -7.640 1.00 0.00 O ATOM 260 CB VAL A 18 2.648 -1.879 -7.542 1.00 0.00 C ATOM 261 CG1 VAL A 18 3.482 -0.725 -8.078 1.00 0.00 C ATOM 262 CG2 VAL A 18 1.181 -1.485 -7.438 1.00 0.00 C ATOM 0 H VAL A 18 1.856 -4.402 -7.073 1.00 0.00 H new ATOM 0 HA VAL A 18 2.597 -2.855 -9.468 1.00 0.00 H new ATOM 0 HB VAL A 18 3.006 -2.121 -6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.354 0.146 -7.435 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.533 -1.012 -8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.158 -0.481 -9.089 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.085 -0.603 -6.804 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.793 -1.262 -8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.613 -2.308 -7.003 1.00 0.00 H new ATOM 272 N ASP A 19 5.161 -2.938 -9.015 1.00 0.00 N ATOM 273 CA ASP A 19 6.570 -3.313 -8.997 1.00 0.00 C ATOM 274 C ASP A 19 7.465 -2.084 -9.104 1.00 0.00 C ATOM 275 O ASP A 19 7.144 -1.129 -9.814 1.00 0.00 O ATOM 276 CB ASP A 19 6.874 -4.280 -10.142 1.00 0.00 C ATOM 277 CG ASP A 19 7.826 -5.386 -9.730 1.00 0.00 C ATOM 278 OD1 ASP A 19 7.878 -5.706 -8.525 1.00 0.00 O ATOM 279 OD2 ASP A 19 8.519 -5.931 -10.615 1.00 0.00 O ATOM 0 H ASP A 19 4.948 -2.123 -9.590 1.00 0.00 H new ATOM 0 HA ASP A 19 6.776 -3.806 -8.047 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.943 -4.720 -10.498 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.305 -3.726 -10.976 1.00 0.00 H new ATOM 284 N LEU A 20 8.591 -2.115 -8.399 1.00 0.00 N ATOM 285 CA LEU A 20 9.535 -1.005 -8.416 1.00 0.00 C ATOM 286 C LEU A 20 10.942 -1.491 -8.749 1.00 0.00 C ATOM 287 O LEU A 20 11.362 -2.561 -8.303 1.00 0.00 O ATOM 288 CB LEU A 20 9.538 -0.287 -7.066 1.00 0.00 C ATOM 289 CG LEU A 20 10.575 0.827 -6.930 1.00 0.00 C ATOM 290 CD1 LEU A 20 10.277 1.950 -7.910 1.00 0.00 C ATOM 291 CD2 LEU A 20 10.607 1.352 -5.501 1.00 0.00 C ATOM 0 H LEU A 20 8.872 -2.898 -7.808 1.00 0.00 H new ATOM 0 HA LEU A 20 9.218 -0.306 -9.190 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.548 0.136 -6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.712 -1.023 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 20 11.558 0.419 -7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.024 2.736 -7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.305 1.561 -8.928 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.288 2.359 -7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.351 2.145 -5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.626 1.747 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.867 0.541 -4.821 1.00 0.00 H new ATOM 359 N ASN B 24 12.221 9.029 0.620 1.00 0.00 N ATOM 360 CA ASN B 24 12.668 7.755 0.070 1.00 0.00 C ATOM 361 C ASN B 24 11.478 6.909 -0.375 1.00 0.00 C ATOM 362 O ASN B 24 11.151 6.857 -1.561 1.00 0.00 O ATOM 363 CB ASN B 24 13.499 6.990 1.103 1.00 0.00 C ATOM 364 CG ASN B 24 14.979 7.301 0.997 1.00 0.00 C ATOM 365 OD1 ASN B 24 15.812 6.396 0.931 1.00 0.00 O ATOM 366 ND2 ASN B 24 15.314 8.586 0.984 1.00 0.00 N ATOM 0 HA ASN B 24 13.290 7.961 -0.801 1.00 0.00 H new ATOM 0 HB2 ASN B 24 13.149 7.240 2.104 1.00 0.00 H new ATOM 0 HB3 ASN B 24 13.345 5.919 0.969 1.00 0.00 H new ATOM 0 HD21 ASN B 24 16.295 8.857 0.917 1.00 0.00 H new ATOM 0 HD22 ASN B 24 14.590 9.302 1.041 1.00 0.00 H new ATOM 373 N PHE B 25 10.830 6.251 0.582 1.00 0.00 N ATOM 374 CA PHE B 25 9.674 5.414 0.285 1.00 0.00 C ATOM 375 C PHE B 25 8.378 6.144 0.622 1.00 0.00 C ATOM 376 O PHE B 25 8.072 6.376 1.792 1.00 0.00 O ATOM 377 CB PHE B 25 9.749 4.099 1.063 1.00 0.00 C ATOM 378 CG PHE B 25 8.593 3.179 0.788 1.00 0.00 C ATOM 379 CD1 PHE B 25 8.490 2.517 -0.424 1.00 0.00 C ATOM 380 CD2 PHE B 25 7.606 2.981 1.740 1.00 0.00 C ATOM 381 CE1 PHE B 25 7.425 1.675 -0.681 1.00 0.00 C ATOM 382 CE2 PHE B 25 6.537 2.142 1.489 1.00 0.00 C ATOM 383 CZ PHE B 25 6.447 1.488 0.276 1.00 0.00 C ATOM 0 H PHE B 25 11.086 6.282 1.569 1.00 0.00 H new ATOM 0 HA PHE B 25 9.683 5.193 -0.782 1.00 0.00 H new ATOM 0 HB2 PHE B 25 10.679 3.588 0.811 1.00 0.00 H new ATOM 0 HB3 PHE B 25 9.784 4.318 2.130 1.00 0.00 H new ATOM 0 HD1 PHE B 25 9.251 2.660 -1.177 1.00 0.00 H new ATOM 0 HD2 PHE B 25 7.673 3.489 2.691 1.00 0.00 H new ATOM 0 HE1 PHE B 25 7.357 1.163 -1.630 1.00 0.00 H new ATOM 0 HE2 PHE B 25 5.774 1.998 2.240 1.00 0.00 H new ATOM 0 HZ PHE B 25 5.613 0.831 0.076 1.00 0.00 H new ATOM 393 N LEU B 26 7.620 6.506 -0.408 1.00 0.00 N ATOM 394 CA LEU B 26 6.359 7.213 -0.217 1.00 0.00 C ATOM 395 C LEU B 26 5.188 6.405 -0.770 1.00 0.00 C ATOM 396 O LEU B 26 4.861 6.494 -1.952 1.00 0.00 O ATOM 397 CB LEU B 26 6.414 8.586 -0.891 1.00 0.00 C ATOM 398 CG LEU B 26 6.902 9.725 0.007 1.00 0.00 C ATOM 399 CD1 LEU B 26 7.788 10.683 -0.775 1.00 0.00 C ATOM 400 CD2 LEU B 26 5.721 10.465 0.618 1.00 0.00 C ATOM 0 H LEU B 26 7.857 6.322 -1.383 1.00 0.00 H new ATOM 0 HA LEU B 26 6.206 7.347 0.854 1.00 0.00 H new ATOM 0 HB2 LEU B 26 7.069 8.522 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU B 26 5.419 8.834 -1.259 1.00 0.00 H new ATOM 0 HG LEU B 26 7.494 9.295 0.815 1.00 0.00 H new ATOM 0 HD11 LEU B 26 8.124 11.485 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU B 26 8.653 10.145 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU B 26 7.222 11.106 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU B 26 6.086 11.272 1.254 1.00 0.00 H new ATOM 0 HD22 LEU B 26 5.102 10.881 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU B 26 5.128 9.773 1.215 1.00 0.00 H new ATOM 412 N ASN B 27 4.557 5.623 0.100 1.00 0.00 N ATOM 413 CA ASN B 27 3.416 4.805 -0.295 1.00 0.00 C ATOM 414 C ASN B 27 2.224 5.057 0.625 1.00 0.00 C ATOM 415 O ASN B 27 2.380 5.216 1.836 1.00 0.00 O ATOM 416 CB ASN B 27 3.787 3.320 -0.272 1.00 0.00 C ATOM 417 CG ASN B 27 2.834 2.479 -1.098 1.00 0.00 C ATOM 418 OD1 ASN B 27 1.946 3.004 -1.770 1.00 0.00 O ATOM 419 ND2 ASN B 27 3.012 1.164 -1.053 1.00 0.00 N ATOM 0 H ASN B 27 4.816 5.539 1.083 1.00 0.00 H new ATOM 0 HA ASN B 27 3.137 5.084 -1.311 1.00 0.00 H new ATOM 0 HB2 ASN B 27 4.801 3.195 -0.651 1.00 0.00 H new ATOM 0 HB3 ASN B 27 3.785 2.963 0.758 1.00 0.00 H new ATOM 0 HD21 ASN B 27 2.400 0.548 -1.588 1.00 0.00 H new ATOM 0 HD22 ASN B 27 3.760 0.770 -0.483 1.00 0.00 H new ATOM 426 N CYS B 28 1.031 5.098 0.047 1.00 0.00 N ATOM 427 CA CYS B 28 -0.179 5.333 0.828 1.00 0.00 C ATOM 428 C CYS B 28 -1.409 5.387 -0.067 1.00 0.00 C ATOM 429 O CYS B 28 -1.300 5.579 -1.278 1.00 0.00 O ATOM 430 CB CYS B 28 -0.054 6.639 1.617 1.00 0.00 C ATOM 431 SG CYS B 28 0.541 8.040 0.640 1.00 0.00 S ATOM 0 H CYS B 28 0.874 4.973 -0.953 1.00 0.00 H new ATOM 0 HA CYS B 28 -0.296 4.501 1.523 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -1.027 6.891 2.038 1.00 0.00 H new ATOM 0 HB3 CYS B 28 0.624 6.481 2.455 1.00 0.00 H new ATOM 0 HG CYS B 28 0.611 9.097 1.394 1.00 0.00 H new ATOM 437 N TYR B 29 -2.583 5.222 0.537 1.00 0.00 N ATOM 438 CA TYR B 29 -3.833 5.262 -0.219 1.00 0.00 C ATOM 439 C TYR B 29 -4.844 6.209 0.421 1.00 0.00 C ATOM 440 O TYR B 29 -4.815 6.450 1.630 1.00 0.00 O ATOM 441 CB TYR B 29 -4.440 3.860 -0.364 1.00 0.00 C ATOM 442 CG TYR B 29 -4.174 2.931 0.801 1.00 0.00 C ATOM 443 CD1 TYR B 29 -2.978 2.231 0.895 1.00 0.00 C ATOM 444 CD2 TYR B 29 -5.123 2.744 1.796 1.00 0.00 C ATOM 445 CE1 TYR B 29 -2.737 1.370 1.949 1.00 0.00 C ATOM 446 CE2 TYR B 29 -4.888 1.888 2.855 1.00 0.00 C ATOM 447 CZ TYR B 29 -3.694 1.203 2.926 1.00 0.00 C ATOM 448 OH TYR B 29 -3.457 0.347 3.977 1.00 0.00 O ATOM 0 H TYR B 29 -2.696 5.061 1.538 1.00 0.00 H new ATOM 0 HA TYR B 29 -3.594 5.640 -1.213 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -5.518 3.957 -0.494 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -4.049 3.402 -1.273 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -2.224 2.362 0.132 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -6.061 3.276 1.742 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -1.803 0.831 2.006 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -5.636 1.756 3.623 1.00 0.00 H new ATOM 0 HH TYR B 29 -3.702 0.786 4.818 1.00 0.00 H new ATOM 458 N VAL B 30 -5.734 6.753 -0.406 1.00 0.00 N ATOM 459 CA VAL B 30 -6.751 7.683 0.068 1.00 0.00 C ATOM 460 C VAL B 30 -8.161 7.180 -0.232 1.00 0.00 C ATOM 461 O VAL B 30 -8.639 7.278 -1.364 1.00 0.00 O ATOM 462 CB VAL B 30 -6.569 9.074 -0.569 1.00 0.00 C ATOM 463 CG1 VAL B 30 -7.523 10.080 0.057 1.00 0.00 C ATOM 464 CG2 VAL B 30 -5.128 9.538 -0.432 1.00 0.00 C ATOM 0 H VAL B 30 -5.770 6.564 -1.408 1.00 0.00 H new ATOM 0 HA VAL B 30 -6.627 7.758 1.148 1.00 0.00 H new ATOM 0 HB VAL B 30 -6.804 9.000 -1.631 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -7.378 11.056 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -8.551 9.753 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -7.324 10.153 1.126 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -5.018 10.522 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -4.863 9.595 0.624 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -4.469 8.830 -0.934 1.00 0.00 H new ATOM 474 N SER B 31 -8.823 6.651 0.800 1.00 0.00 N ATOM 475 CA SER B 31 -10.189 6.138 0.681 1.00 0.00 C ATOM 476 C SER B 31 -10.406 5.375 -0.627 1.00 0.00 C ATOM 477 O SER B 31 -9.451 5.016 -1.317 1.00 0.00 O ATOM 478 CB SER B 31 -11.190 7.290 0.782 1.00 0.00 C ATOM 479 OG SER B 31 -12.349 6.899 1.497 1.00 0.00 O ATOM 0 H SER B 31 -8.429 6.567 1.737 1.00 0.00 H new ATOM 0 HA SER B 31 -10.347 5.437 1.501 1.00 0.00 H new ATOM 0 HB2 SER B 31 -10.722 8.140 1.279 1.00 0.00 H new ATOM 0 HB3 SER B 31 -11.470 7.621 -0.218 1.00 0.00 H new ATOM 0 HG SER B 31 -12.972 7.654 1.549 1.00 0.00 H new ATOM 485 N GLY B 32 -11.674 5.132 -0.957 1.00 0.00 N ATOM 486 CA GLY B 32 -12.014 4.418 -2.178 1.00 0.00 C ATOM 487 C GLY B 32 -11.144 3.197 -2.412 1.00 0.00 C ATOM 488 O GLY B 32 -10.601 3.016 -3.501 1.00 0.00 O ATOM 0 H GLY B 32 -12.476 5.419 -0.396 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -13.059 4.110 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -11.917 5.095 -3.027 1.00 0.00 H new ATOM 492 N PHE B 33 -11.010 2.359 -1.390 1.00 0.00 N ATOM 493 CA PHE B 33 -10.196 1.155 -1.501 1.00 0.00 C ATOM 494 C PHE B 33 -11.021 -0.103 -1.249 1.00 0.00 C ATOM 495 O PHE B 33 -10.857 -0.774 -0.231 1.00 0.00 O ATOM 496 CB PHE B 33 -9.016 1.216 -0.527 1.00 0.00 C ATOM 497 CG PHE B 33 -7.734 0.699 -1.115 1.00 0.00 C ATOM 498 CD1 PHE B 33 -7.581 -0.649 -1.398 1.00 0.00 C ATOM 499 CD2 PHE B 33 -6.685 1.561 -1.389 1.00 0.00 C ATOM 500 CE1 PHE B 33 -6.405 -1.127 -1.945 1.00 0.00 C ATOM 501 CE2 PHE B 33 -5.507 1.088 -1.936 1.00 0.00 C ATOM 502 CZ PHE B 33 -5.366 -0.257 -2.215 1.00 0.00 C ATOM 0 H PHE B 33 -11.452 2.490 -0.480 1.00 0.00 H new ATOM 0 HA PHE B 33 -9.814 1.107 -2.521 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -8.871 2.248 -0.207 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -9.259 0.637 0.364 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -8.390 -1.334 -1.189 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -6.789 2.614 -1.173 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -6.298 -2.180 -2.161 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -4.697 1.771 -2.145 1.00 0.00 H new ATOM 0 HZ PHE B 33 -4.446 -0.628 -2.643 1.00 0.00 H new ATOM 512 N HIS B 34 -11.900 -0.426 -2.195 1.00 0.00 N ATOM 513 CA HIS B 34 -12.737 -1.613 -2.084 1.00 0.00 C ATOM 514 C HIS B 34 -12.376 -2.691 -3.124 1.00 0.00 C ATOM 515 O HIS B 34 -13.188 -3.578 -3.386 1.00 0.00 O ATOM 516 CB HIS B 34 -14.216 -1.229 -2.225 1.00 0.00 C ATOM 517 CG HIS B 34 -14.648 -0.966 -3.637 1.00 0.00 C ATOM 518 ND1 HIS B 34 -15.821 -1.459 -4.167 1.00 0.00 N ATOM 519 CD2 HIS B 34 -14.059 -0.254 -4.628 1.00 0.00 C ATOM 520 CE1 HIS B 34 -15.935 -1.065 -5.422 1.00 0.00 C ATOM 521 NE2 HIS B 34 -14.880 -0.333 -5.726 1.00 0.00 N ATOM 0 H HIS B 34 -12.049 0.118 -3.045 1.00 0.00 H new ATOM 0 HA HIS B 34 -12.556 -2.041 -1.098 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -14.829 -2.030 -1.812 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -14.408 -0.339 -1.626 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -13.120 0.276 -4.566 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -16.753 -1.302 -6.087 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -14.703 0.104 -6.631 1.00 0.00 H new ATOM 530 N PRO B 35 -11.166 -2.648 -3.738 1.00 0.00 N ATOM 531 CA PRO B 35 -10.766 -3.649 -4.737 1.00 0.00 C ATOM 532 C PRO B 35 -10.899 -5.082 -4.235 1.00 0.00 C ATOM 533 O PRO B 35 -11.560 -5.350 -3.233 1.00 0.00 O ATOM 534 CB PRO B 35 -9.292 -3.337 -4.995 1.00 0.00 C ATOM 535 CG PRO B 35 -9.130 -1.907 -4.640 1.00 0.00 C ATOM 536 CD PRO B 35 -10.104 -1.642 -3.528 1.00 0.00 C ATOM 0 HA PRO B 35 -11.402 -3.591 -5.620 1.00 0.00 H new ATOM 0 HB2 PRO B 35 -8.644 -3.969 -4.388 1.00 0.00 H new ATOM 0 HB3 PRO B 35 -9.028 -3.516 -6.037 1.00 0.00 H new ATOM 0 HG2 PRO B 35 -8.109 -1.698 -4.322 1.00 0.00 H new ATOM 0 HG3 PRO B 35 -9.334 -1.267 -5.498 1.00 0.00 H new ATOM 0 HD2 PRO B 35 -9.635 -1.755 -2.551 1.00 0.00 H new ATOM 0 HD3 PRO B 35 -10.500 -0.627 -3.577 1.00 0.00 H new ATOM 544 N SER B 36 -10.248 -5.998 -4.945 1.00 0.00 N ATOM 545 CA SER B 36 -10.273 -7.408 -4.590 1.00 0.00 C ATOM 546 C SER B 36 -8.927 -7.845 -4.017 1.00 0.00 C ATOM 547 O SER B 36 -8.801 -8.080 -2.814 1.00 0.00 O ATOM 548 CB SER B 36 -10.616 -8.254 -5.818 1.00 0.00 C ATOM 549 OG SER B 36 -10.295 -9.618 -5.603 1.00 0.00 O ATOM 0 H SER B 36 -9.694 -5.784 -5.774 1.00 0.00 H new ATOM 0 HA SER B 36 -11.038 -7.556 -3.828 1.00 0.00 H new ATOM 0 HB2 SER B 36 -11.678 -8.158 -6.044 1.00 0.00 H new ATOM 0 HB3 SER B 36 -10.070 -7.881 -6.685 1.00 0.00 H new ATOM 0 HG SER B 36 -10.525 -10.138 -6.401 1.00 0.00 H new ATOM 555 N ASP B 37 -7.924 -7.955 -4.885 1.00 0.00 N ATOM 556 CA ASP B 37 -6.590 -8.368 -4.462 1.00 0.00 C ATOM 557 C ASP B 37 -5.517 -7.427 -5.007 1.00 0.00 C ATOM 558 O ASP B 37 -5.291 -7.358 -6.217 1.00 0.00 O ATOM 559 CB ASP B 37 -6.314 -9.800 -4.924 1.00 0.00 C ATOM 560 CG ASP B 37 -4.980 -10.322 -4.428 1.00 0.00 C ATOM 561 OD1 ASP B 37 -3.954 -10.041 -5.083 1.00 0.00 O ATOM 562 OD2 ASP B 37 -4.962 -11.010 -3.387 1.00 0.00 O ATOM 0 H ASP B 37 -8.010 -7.764 -5.883 1.00 0.00 H new ATOM 0 HA ASP B 37 -6.554 -8.325 -3.373 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -7.111 -10.453 -4.569 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -6.333 -9.837 -6.013 1.00 0.00 H new ATOM 567 N ILE B 38 -4.856 -6.709 -4.102 1.00 0.00 N ATOM 568 CA ILE B 38 -3.802 -5.774 -4.483 1.00 0.00 C ATOM 569 C ILE B 38 -2.513 -6.064 -3.715 1.00 0.00 C ATOM 570 O ILE B 38 -2.542 -6.363 -2.522 1.00 0.00 O ATOM 571 CB ILE B 38 -4.239 -4.308 -4.237 1.00 0.00 C ATOM 572 CG1 ILE B 38 -5.065 -3.803 -5.418 1.00 0.00 C ATOM 573 CG2 ILE B 38 -3.035 -3.400 -4.008 1.00 0.00 C ATOM 574 CD1 ILE B 38 -6.440 -4.421 -5.501 1.00 0.00 C ATOM 0 H ILE B 38 -5.032 -6.757 -3.099 1.00 0.00 H new ATOM 0 HA ILE B 38 -3.616 -5.908 -5.549 1.00 0.00 H new ATOM 0 HB ILE B 38 -4.851 -4.285 -3.335 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -5.166 -2.720 -5.344 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -4.526 -4.010 -6.343 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -3.376 -2.379 -3.839 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -2.479 -3.746 -3.137 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -2.388 -3.425 -4.885 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -6.970 -4.016 -6.363 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -6.347 -5.502 -5.607 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -6.997 -4.192 -4.593 1.00 0.00 H new ATOM 586 N GLU B 39 -1.386 -5.969 -4.413 1.00 0.00 N ATOM 587 CA GLU B 39 -0.085 -6.217 -3.800 1.00 0.00 C ATOM 588 C GLU B 39 0.984 -5.316 -4.413 1.00 0.00 C ATOM 589 O GLU B 39 0.842 -4.846 -5.541 1.00 0.00 O ATOM 590 CB GLU B 39 0.308 -7.686 -3.969 1.00 0.00 C ATOM 591 CG GLU B 39 0.480 -8.107 -5.419 1.00 0.00 C ATOM 592 CD GLU B 39 1.540 -9.177 -5.593 1.00 0.00 C ATOM 593 OE1 GLU B 39 2.455 -9.249 -4.745 1.00 0.00 O ATOM 594 OE2 GLU B 39 1.457 -9.942 -6.576 1.00 0.00 O ATOM 0 H GLU B 39 -1.347 -5.723 -5.402 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.160 -5.989 -2.737 1.00 0.00 H new ATOM 0 HB2 GLU B 39 1.240 -7.868 -3.434 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -0.454 -8.313 -3.505 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -0.471 -8.477 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU B 39 0.747 -7.236 -6.017 1.00 0.00 H new ATOM 601 N VAL B 40 2.056 -5.081 -3.662 1.00 0.00 N ATOM 602 CA VAL B 40 3.149 -4.237 -4.133 1.00 0.00 C ATOM 603 C VAL B 40 4.502 -4.884 -3.855 1.00 0.00 C ATOM 604 O VAL B 40 4.791 -5.281 -2.726 1.00 0.00 O ATOM 605 CB VAL B 40 3.112 -2.846 -3.472 1.00 0.00 C ATOM 606 CG1 VAL B 40 4.134 -1.918 -4.112 1.00 0.00 C ATOM 607 CG2 VAL B 40 1.715 -2.251 -3.560 1.00 0.00 C ATOM 0 H VAL B 40 2.191 -5.463 -2.726 1.00 0.00 H new ATOM 0 HA VAL B 40 3.018 -4.122 -5.209 1.00 0.00 H new ATOM 0 HB VAL B 40 3.370 -2.960 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL B 40 4.091 -0.941 -3.630 1.00 0.00 H new ATOM 0 HG12 VAL B 40 5.133 -2.338 -3.992 1.00 0.00 H new ATOM 0 HG13 VAL B 40 3.912 -1.809 -5.174 1.00 0.00 H new ATOM 0 HG21 VAL B 40 1.708 -1.268 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL B 40 1.427 -2.153 -4.607 1.00 0.00 H new ATOM 0 HG23 VAL B 40 1.008 -2.905 -3.049 1.00 0.00 H new ATOM 617 N ASP B 41 5.328 -4.991 -4.893 1.00 0.00 N ATOM 618 CA ASP B 41 6.649 -5.593 -4.759 1.00 0.00 C ATOM 619 C ASP B 41 7.746 -4.613 -5.161 1.00 0.00 C ATOM 620 O ASP B 41 8.022 -4.429 -6.346 1.00 0.00 O ATOM 621 CB ASP B 41 6.745 -6.857 -5.615 1.00 0.00 C ATOM 622 CG ASP B 41 6.026 -8.035 -4.990 1.00 0.00 C ATOM 623 OD1 ASP B 41 5.005 -7.814 -4.305 1.00 0.00 O ATOM 624 OD2 ASP B 41 6.485 -9.181 -5.182 1.00 0.00 O ATOM 0 H ASP B 41 5.105 -4.669 -5.835 1.00 0.00 H new ATOM 0 HA ASP B 41 6.791 -5.856 -3.711 1.00 0.00 H new ATOM 0 HB2 ASP B 41 6.323 -6.658 -6.600 1.00 0.00 H new ATOM 0 HB3 ASP B 41 7.794 -7.113 -5.764 1.00 0.00 H new ATOM 629 N LEU B 42 8.371 -3.990 -4.169 1.00 0.00 N ATOM 630 CA LEU B 42 9.442 -3.033 -4.422 1.00 0.00 C ATOM 631 C LEU B 42 10.805 -3.699 -4.261 1.00 0.00 C ATOM 632 O LEU B 42 11.230 -3.996 -3.142 1.00 0.00 O ATOM 633 CB LEU B 42 9.339 -1.835 -3.470 1.00 0.00 C ATOM 634 CG LEU B 42 7.966 -1.155 -3.399 1.00 0.00 C ATOM 635 CD1 LEU B 42 7.482 -0.763 -4.788 1.00 0.00 C ATOM 636 CD2 LEU B 42 6.954 -2.059 -2.712 1.00 0.00 C ATOM 0 H LEU B 42 8.155 -4.130 -3.182 1.00 0.00 H new ATOM 0 HA LEU B 42 9.337 -2.678 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU B 42 9.611 -2.167 -2.468 1.00 0.00 H new ATOM 0 HB3 LEU B 42 10.077 -1.091 -3.771 1.00 0.00 H new ATOM 0 HG LEU B 42 8.069 -0.245 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU B 42 6.507 -0.283 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU B 42 8.193 -0.071 -5.239 1.00 0.00 H new ATOM 0 HD13 LEU B 42 7.400 -1.655 -5.410 1.00 0.00 H new ATOM 0 HD21 LEU B 42 5.987 -1.558 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU B 42 6.858 -2.989 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU B 42 7.291 -2.279 -1.699 1.00 0.00 H new ATOM 648 N LEU B 43 11.490 -3.930 -5.380 1.00 0.00 N ATOM 649 CA LEU B 43 12.808 -4.559 -5.355 1.00 0.00 C ATOM 650 C LEU B 43 13.355 -4.750 -6.765 1.00 0.00 C ATOM 651 O LEU B 43 14.516 -4.443 -7.038 1.00 0.00 O ATOM 652 CB LEU B 43 12.750 -5.912 -4.634 1.00 0.00 C ATOM 653 CG LEU B 43 11.853 -6.967 -5.288 1.00 0.00 C ATOM 654 CD1 LEU B 43 12.038 -8.317 -4.614 1.00 0.00 C ATOM 655 CD2 LEU B 43 10.395 -6.538 -5.232 1.00 0.00 C ATOM 0 H LEU B 43 11.154 -3.691 -6.313 1.00 0.00 H new ATOM 0 HA LEU B 43 13.478 -3.894 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU B 43 13.762 -6.312 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU B 43 12.403 -5.746 -3.614 1.00 0.00 H new ATOM 0 HG LEU B 43 12.143 -7.063 -6.334 1.00 0.00 H new ATOM 0 HD11 LEU B 43 11.393 -9.054 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU B 43 13.078 -8.631 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU B 43 11.776 -8.236 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU B 43 9.773 -7.300 -5.702 1.00 0.00 H new ATOM 0 HD22 LEU B 43 10.092 -6.413 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU B 43 10.273 -5.593 -5.762 1.00 0.00 H new ATOM 667 N LYS B 44 12.515 -5.267 -7.656 1.00 0.00 N ATOM 668 CA LYS B 44 12.919 -5.507 -9.036 1.00 0.00 C ATOM 669 C LYS B 44 11.706 -5.502 -9.964 1.00 0.00 C ATOM 670 O LYS B 44 11.876 -5.816 -11.160 1.00 0.00 O ATOM 671 CB LYS B 44 13.659 -6.843 -9.146 1.00 0.00 C ATOM 672 CG LYS B 44 15.156 -6.695 -9.370 1.00 0.00 C ATOM 673 CD LYS B 44 15.909 -6.581 -8.053 1.00 0.00 C ATOM 674 CE LYS B 44 17.134 -7.483 -8.031 1.00 0.00 C ATOM 675 NZ LYS B 44 18.377 -6.741 -8.381 1.00 0.00 N ATOM 676 OXT LYS B 44 10.597 -5.188 -9.483 1.00 0.00 O ATOM 0 H LYS B 44 11.551 -5.527 -7.447 1.00 0.00 H new ATOM 0 HA LYS B 44 13.590 -4.704 -9.341 1.00 0.00 H new ATOM 0 HB2 LYS B 44 13.492 -7.417 -8.235 1.00 0.00 H new ATOM 0 HB3 LYS B 44 13.233 -7.418 -9.968 1.00 0.00 H new ATOM 0 HG2 LYS B 44 15.528 -7.553 -9.930 1.00 0.00 H new ATOM 0 HG3 LYS B 44 15.348 -5.811 -9.978 1.00 0.00 H new ATOM 0 HD2 LYS B 44 16.215 -5.547 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS B 44 15.246 -6.846 -7.229 1.00 0.00 H new ATOM 0 HE2 LYS B 44 17.242 -7.925 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS B 44 16.992 -8.305 -8.733 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 19.188 -7.391 -8.355 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 18.285 -6.341 -9.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 18.527 -5.972 -7.697 1.00 0.00 H new ATOM 691 N SER C 45 15.400 3.632 7.382 1.00 0.00 N ATOM 692 CA SER C 45 15.076 4.311 6.099 1.00 0.00 C ATOM 693 C SER C 45 13.700 4.968 6.156 1.00 0.00 C ATOM 694 O SER C 45 12.793 4.475 6.828 1.00 0.00 O ATOM 695 CB SER C 45 15.123 3.276 4.974 1.00 0.00 C ATOM 696 OG SER C 45 13.918 2.530 4.918 1.00 0.00 O ATOM 0 HA SER C 45 15.807 5.098 5.915 1.00 0.00 H new ATOM 0 HB2 SER C 45 15.289 3.778 4.021 1.00 0.00 H new ATOM 0 HB3 SER C 45 15.965 2.602 5.130 1.00 0.00 H new ATOM 0 HG SER C 45 13.972 1.876 4.190 1.00 0.00 H new ATOM 704 N ASN C 46 13.551 6.081 5.446 1.00 0.00 N ATOM 705 CA ASN C 46 12.284 6.806 5.414 1.00 0.00 C ATOM 706 C ASN C 46 11.153 5.907 4.923 1.00 0.00 C ATOM 707 O ASN C 46 10.983 5.708 3.720 1.00 0.00 O ATOM 708 CB ASN C 46 12.404 8.040 4.515 1.00 0.00 C ATOM 709 CG ASN C 46 12.280 9.338 5.293 1.00 0.00 C ATOM 710 OD1 ASN C 46 11.848 9.344 6.444 1.00 0.00 O ATOM 711 ND2 ASN C 46 12.661 10.444 4.664 1.00 0.00 N ATOM 0 H ASN C 46 14.291 6.502 4.885 1.00 0.00 H new ATOM 0 HA ASN C 46 12.049 7.126 6.429 1.00 0.00 H new ATOM 0 HB2 ASN C 46 13.364 8.019 4.000 1.00 0.00 H new ATOM 0 HB3 ASN C 46 11.630 8.004 3.748 1.00 0.00 H new ATOM 0 HD21 ASN C 46 12.601 11.346 5.137 1.00 0.00 H new ATOM 0 HD22 ASN C 46 13.014 10.391 3.708 1.00 0.00 H new ATOM 718 N PHE C 47 10.378 5.369 5.862 1.00 0.00 N ATOM 719 CA PHE C 47 9.264 4.494 5.520 1.00 0.00 C ATOM 720 C PHE C 47 7.934 5.235 5.631 1.00 0.00 C ATOM 721 O PHE C 47 7.514 5.618 6.722 1.00 0.00 O ATOM 722 CB PHE C 47 9.248 3.263 6.430 1.00 0.00 C ATOM 723 CG PHE C 47 8.094 2.338 6.164 1.00 0.00 C ATOM 724 CD1 PHE C 47 7.931 1.757 4.917 1.00 0.00 C ATOM 725 CD2 PHE C 47 7.172 2.056 7.158 1.00 0.00 C ATOM 726 CE1 PHE C 47 6.869 0.910 4.668 1.00 0.00 C ATOM 727 CE2 PHE C 47 6.106 1.210 6.913 1.00 0.00 C ATOM 728 CZ PHE C 47 5.955 0.636 5.667 1.00 0.00 C ATOM 0 H PHE C 47 10.502 5.524 6.862 1.00 0.00 H new ATOM 0 HA PHE C 47 9.398 4.171 4.488 1.00 0.00 H new ATOM 0 HB2 PHE C 47 10.181 2.714 6.302 1.00 0.00 H new ATOM 0 HB3 PHE C 47 9.210 3.589 7.469 1.00 0.00 H new ATOM 0 HD1 PHE C 47 8.642 1.969 4.132 1.00 0.00 H new ATOM 0 HD2 PHE C 47 7.287 2.502 8.135 1.00 0.00 H new ATOM 0 HE1 PHE C 47 6.753 0.462 3.692 1.00 0.00 H new ATOM 0 HE2 PHE C 47 5.392 0.999 7.696 1.00 0.00 H new ATOM 0 HZ PHE C 47 5.124 -0.026 5.473 1.00 0.00 H new ATOM 738 N LEU C 48 7.278 5.429 4.492 1.00 0.00 N ATOM 739 CA LEU C 48 5.995 6.119 4.456 1.00 0.00 C ATOM 740 C LEU C 48 4.914 5.222 3.856 1.00 0.00 C ATOM 741 O LEU C 48 4.645 5.278 2.658 1.00 0.00 O ATOM 742 CB LEU C 48 6.114 7.415 3.646 1.00 0.00 C ATOM 743 CG LEU C 48 5.530 8.662 4.316 1.00 0.00 C ATOM 744 CD1 LEU C 48 4.124 8.388 4.828 1.00 0.00 C ATOM 745 CD2 LEU C 48 6.432 9.129 5.448 1.00 0.00 C ATOM 0 H LEU C 48 7.615 5.118 3.581 1.00 0.00 H new ATOM 0 HA LEU C 48 5.709 6.365 5.479 1.00 0.00 H new ATOM 0 HB2 LEU C 48 7.168 7.596 3.435 1.00 0.00 H new ATOM 0 HB3 LEU C 48 5.616 7.271 2.687 1.00 0.00 H new ATOM 0 HG LEU C 48 5.472 9.457 3.572 1.00 0.00 H new ATOM 0 HD11 LEU C 48 3.727 9.287 5.300 1.00 0.00 H new ATOM 0 HD12 LEU C 48 3.482 8.103 3.994 1.00 0.00 H new ATOM 0 HD13 LEU C 48 4.154 7.578 5.557 1.00 0.00 H new ATOM 0 HD21 LEU C 48 6.002 10.016 5.913 1.00 0.00 H new ATOM 0 HD22 LEU C 48 6.523 8.337 6.191 1.00 0.00 H new ATOM 0 HD23 LEU C 48 7.419 9.369 5.052 1.00 0.00 H new ATOM 757 N ASN C 49 4.298 4.399 4.700 1.00 0.00 N ATOM 758 CA ASN C 49 3.239 3.492 4.259 1.00 0.00 C ATOM 759 C ASN C 49 1.988 3.686 5.109 1.00 0.00 C ATOM 760 O ASN C 49 1.762 2.959 6.079 1.00 0.00 O ATOM 761 CB ASN C 49 3.708 2.040 4.339 1.00 0.00 C ATOM 762 CG ASN C 49 2.806 1.098 3.565 1.00 0.00 C ATOM 763 OD1 ASN C 49 1.840 0.560 4.107 1.00 0.00 O ATOM 764 ND2 ASN C 49 3.118 0.892 2.290 1.00 0.00 N ATOM 0 H ASN C 49 4.513 4.340 5.695 1.00 0.00 H new ATOM 0 HA ASN C 49 2.999 3.723 3.221 1.00 0.00 H new ATOM 0 HB2 ASN C 49 4.724 1.967 3.951 1.00 0.00 H new ATOM 0 HB3 ASN C 49 3.743 1.729 5.383 1.00 0.00 H new ATOM 0 HD21 ASN C 49 2.548 0.267 1.720 1.00 0.00 H new ATOM 0 HD22 ASN C 49 3.928 1.359 1.881 1.00 0.00 H new ATOM 771 N CYS C 50 1.186 4.683 4.752 1.00 0.00 N ATOM 772 CA CYS C 50 -0.029 4.982 5.505 1.00 0.00 C ATOM 773 C CYS C 50 -1.230 5.208 4.588 1.00 0.00 C ATOM 774 O CYS C 50 -1.165 4.976 3.381 1.00 0.00 O ATOM 775 CB CYS C 50 0.197 6.221 6.379 1.00 0.00 C ATOM 776 SG CYS C 50 1.152 7.533 5.579 1.00 0.00 S ATOM 0 H CYS C 50 1.352 5.294 3.953 1.00 0.00 H new ATOM 0 HA CYS C 50 -0.251 4.119 6.132 1.00 0.00 H new ATOM 0 HB2 CYS C 50 -0.772 6.623 6.677 1.00 0.00 H new ATOM 0 HB3 CYS C 50 0.711 5.919 7.292 1.00 0.00 H new ATOM 0 HG CYS C 50 1.285 8.534 6.398 1.00 0.00 H new ATOM 782 N TYR C 51 -2.329 5.667 5.177 1.00 0.00 N ATOM 783 CA TYR C 51 -3.544 5.935 4.424 1.00 0.00 C ATOM 784 C TYR C 51 -4.533 6.731 5.267 1.00 0.00 C ATOM 785 O TYR C 51 -4.280 7.010 6.445 1.00 0.00 O ATOM 786 CB TYR C 51 -4.174 4.625 3.934 1.00 0.00 C ATOM 787 CG TYR C 51 -5.105 3.960 4.925 1.00 0.00 C ATOM 788 CD1 TYR C 51 -6.450 4.301 4.977 1.00 0.00 C ATOM 789 CD2 TYR C 51 -4.642 2.982 5.795 1.00 0.00 C ATOM 790 CE1 TYR C 51 -7.307 3.689 5.870 1.00 0.00 C ATOM 791 CE2 TYR C 51 -5.494 2.362 6.690 1.00 0.00 C ATOM 792 CZ TYR C 51 -6.825 2.720 6.723 1.00 0.00 C ATOM 793 OH TYR C 51 -7.678 2.107 7.611 1.00 0.00 O ATOM 0 H TYR C 51 -2.401 5.861 6.176 1.00 0.00 H new ATOM 0 HA TYR C 51 -3.284 6.534 3.551 1.00 0.00 H new ATOM 0 HB2 TYR C 51 -4.726 4.825 3.016 1.00 0.00 H new ATOM 0 HB3 TYR C 51 -3.376 3.927 3.681 1.00 0.00 H new ATOM 0 HD1 TYR C 51 -6.832 5.058 4.308 1.00 0.00 H new ATOM 0 HD2 TYR C 51 -3.599 2.701 5.772 1.00 0.00 H new ATOM 0 HE1 TYR C 51 -8.350 3.968 5.900 1.00 0.00 H new ATOM 0 HE2 TYR C 51 -5.119 1.602 7.359 1.00 0.00 H new ATOM 0 HH TYR C 51 -7.424 1.166 7.712 1.00 0.00 H new ATOM 803 N VAL C 52 -5.654 7.106 4.660 1.00 0.00 N ATOM 804 CA VAL C 52 -6.670 7.880 5.361 1.00 0.00 C ATOM 805 C VAL C 52 -8.076 7.366 5.070 1.00 0.00 C ATOM 806 O VAL C 52 -8.359 6.893 3.969 1.00 0.00 O ATOM 807 CB VAL C 52 -6.585 9.375 4.989 1.00 0.00 C ATOM 808 CG1 VAL C 52 -5.178 9.903 5.222 1.00 0.00 C ATOM 809 CG2 VAL C 52 -7.012 9.598 3.545 1.00 0.00 C ATOM 0 H VAL C 52 -5.881 6.888 3.690 1.00 0.00 H new ATOM 0 HA VAL C 52 -6.472 7.763 6.426 1.00 0.00 H new ATOM 0 HB VAL C 52 -7.270 9.927 5.633 1.00 0.00 H new ATOM 0 HG11 VAL C 52 -5.137 10.959 4.954 1.00 0.00 H new ATOM 0 HG12 VAL C 52 -4.914 9.784 6.273 1.00 0.00 H new ATOM 0 HG13 VAL C 52 -4.473 9.345 4.606 1.00 0.00 H new ATOM 0 HG21 VAL C 52 -6.944 10.659 3.305 1.00 0.00 H new ATOM 0 HG22 VAL C 52 -6.358 9.033 2.881 1.00 0.00 H new ATOM 0 HG23 VAL C 52 -8.040 9.262 3.414 1.00 0.00 H new ATOM 819 N SER C 53 -8.950 7.473 6.077 1.00 0.00 N ATOM 820 CA SER C 53 -10.350 7.037 5.976 1.00 0.00 C ATOM 821 C SER C 53 -10.549 5.668 6.615 1.00 0.00 C ATOM 822 O SER C 53 -9.646 5.132 7.257 1.00 0.00 O ATOM 823 CB SER C 53 -10.829 7.006 4.519 1.00 0.00 C ATOM 824 OG SER C 53 -12.244 7.028 4.448 1.00 0.00 O ATOM 0 H SER C 53 -8.708 7.865 6.987 1.00 0.00 H new ATOM 0 HA SER C 53 -10.949 7.768 6.519 1.00 0.00 H new ATOM 0 HB2 SER C 53 -10.421 7.861 3.980 1.00 0.00 H new ATOM 0 HB3 SER C 53 -10.451 6.110 4.027 1.00 0.00 H new ATOM 0 HG SER C 53 -12.546 6.409 3.751 1.00 0.00 H new ATOM 830 N GLY C 54 -11.744 5.112 6.438 1.00 0.00 N ATOM 831 CA GLY C 54 -12.051 3.814 7.008 1.00 0.00 C ATOM 832 C GLY C 54 -11.562 2.662 6.148 1.00 0.00 C ATOM 833 O GLY C 54 -11.466 1.530 6.620 1.00 0.00 O ATOM 0 H GLY C 54 -12.505 5.538 5.909 1.00 0.00 H new ATOM 0 HA2 GLY C 54 -11.598 3.741 7.997 1.00 0.00 H new ATOM 0 HA3 GLY C 54 -13.129 3.728 7.144 1.00 0.00 H new ATOM 837 N PHE C 55 -11.253 2.947 4.886 1.00 0.00 N ATOM 838 CA PHE C 55 -10.772 1.919 3.969 1.00 0.00 C ATOM 839 C PHE C 55 -11.847 0.865 3.721 1.00 0.00 C ATOM 840 O PHE C 55 -12.317 0.215 4.653 1.00 0.00 O ATOM 841 CB PHE C 55 -9.513 1.257 4.532 1.00 0.00 C ATOM 842 CG PHE C 55 -8.761 0.431 3.529 1.00 0.00 C ATOM 843 CD1 PHE C 55 -7.818 1.016 2.697 1.00 0.00 C ATOM 844 CD2 PHE C 55 -8.993 -0.931 3.419 1.00 0.00 C ATOM 845 CE1 PHE C 55 -7.121 0.257 1.776 1.00 0.00 C ATOM 846 CE2 PHE C 55 -8.300 -1.694 2.499 1.00 0.00 C ATOM 847 CZ PHE C 55 -7.362 -1.100 1.677 1.00 0.00 C ATOM 0 H PHE C 55 -11.327 3.878 4.476 1.00 0.00 H new ATOM 0 HA PHE C 55 -10.531 2.396 3.019 1.00 0.00 H new ATOM 0 HB2 PHE C 55 -8.851 2.030 4.921 1.00 0.00 H new ATOM 0 HB3 PHE C 55 -9.793 0.623 5.374 1.00 0.00 H new ATOM 0 HD1 PHE C 55 -7.626 2.076 2.770 1.00 0.00 H new ATOM 0 HD2 PHE C 55 -9.724 -1.401 4.060 1.00 0.00 H new ATOM 0 HE1 PHE C 55 -6.389 0.724 1.134 1.00 0.00 H new ATOM 0 HE2 PHE C 55 -8.491 -2.754 2.423 1.00 0.00 H new ATOM 0 HZ PHE C 55 -6.818 -1.695 0.958 1.00 0.00 H new ATOM 857 N HIS C 56 -12.230 0.701 2.459 1.00 0.00 N ATOM 858 CA HIS C 56 -13.248 -0.276 2.092 1.00 0.00 C ATOM 859 C HIS C 56 -12.673 -1.690 2.095 1.00 0.00 C ATOM 860 O HIS C 56 -11.457 -1.875 2.059 1.00 0.00 O ATOM 861 CB HIS C 56 -13.822 0.045 0.712 1.00 0.00 C ATOM 862 CG HIS C 56 -14.986 0.987 0.750 1.00 0.00 C ATOM 863 ND1 HIS C 56 -14.913 2.250 1.301 1.00 0.00 N ATOM 864 CD2 HIS C 56 -16.255 0.847 0.299 1.00 0.00 C ATOM 865 CE1 HIS C 56 -16.087 2.845 1.190 1.00 0.00 C ATOM 866 NE2 HIS C 56 -16.919 2.016 0.584 1.00 0.00 N ATOM 0 H HIS C 56 -11.851 1.231 1.674 1.00 0.00 H new ATOM 0 HA HIS C 56 -14.046 -0.223 2.833 1.00 0.00 H new ATOM 0 HB2 HIS C 56 -13.036 0.477 0.093 1.00 0.00 H new ATOM 0 HB3 HIS C 56 -14.132 -0.883 0.232 1.00 0.00 H new ATOM 0 HD2 HIS C 56 -16.668 -0.021 -0.193 1.00 0.00 H new ATOM 0 HE1 HIS C 56 -16.326 3.840 1.536 1.00 0.00 H new ATOM 0 HE2 HIS C 56 -17.895 2.212 0.364 1.00 0.00 H new ATOM 875 N PRO C 57 -13.546 -2.711 2.137 1.00 0.00 N ATOM 876 CA PRO C 57 -13.120 -4.114 2.143 1.00 0.00 C ATOM 877 C PRO C 57 -12.268 -4.464 0.927 1.00 0.00 C ATOM 878 O PRO C 57 -12.757 -4.483 -0.202 1.00 0.00 O ATOM 879 CB PRO C 57 -14.439 -4.900 2.118 1.00 0.00 C ATOM 880 CG PRO C 57 -15.475 -3.920 1.683 1.00 0.00 C ATOM 881 CD PRO C 57 -15.010 -2.583 2.179 1.00 0.00 C ATOM 0 HA PRO C 57 -12.496 -4.342 3.007 1.00 0.00 H new ATOM 0 HB2 PRO C 57 -14.381 -5.743 1.429 1.00 0.00 H new ATOM 0 HB3 PRO C 57 -14.672 -5.308 3.102 1.00 0.00 H new ATOM 0 HG2 PRO C 57 -15.581 -3.919 0.598 1.00 0.00 H new ATOM 0 HG3 PRO C 57 -16.451 -4.173 2.098 1.00 0.00 H new ATOM 0 HD2 PRO C 57 -15.363 -1.771 1.544 1.00 0.00 H new ATOM 0 HD3 PRO C 57 -15.369 -2.378 3.188 1.00 0.00 H new ATOM 889 N SER C 58 -10.990 -4.739 1.167 1.00 0.00 N ATOM 890 CA SER C 58 -10.066 -5.090 0.094 1.00 0.00 C ATOM 891 C SER C 58 -8.797 -5.718 0.657 1.00 0.00 C ATOM 892 O SER C 58 -8.472 -5.541 1.832 1.00 0.00 O ATOM 893 CB SER C 58 -9.712 -3.851 -0.730 1.00 0.00 C ATOM 894 OG SER C 58 -8.564 -4.079 -1.528 1.00 0.00 O ATOM 0 H SER C 58 -10.570 -4.726 2.096 1.00 0.00 H new ATOM 0 HA SER C 58 -10.557 -5.818 -0.552 1.00 0.00 H new ATOM 0 HB2 SER C 58 -10.554 -3.582 -1.368 1.00 0.00 H new ATOM 0 HB3 SER C 58 -9.534 -3.007 -0.064 1.00 0.00 H new ATOM 0 HG SER C 58 -8.059 -3.244 -1.621 1.00 0.00 H new ATOM 900 N ASP C 59 -8.079 -6.454 -0.186 1.00 0.00 N ATOM 901 CA ASP C 59 -6.845 -7.106 0.236 1.00 0.00 C ATOM 902 C ASP C 59 -5.624 -6.307 -0.210 1.00 0.00 C ATOM 903 O ASP C 59 -5.471 -5.997 -1.392 1.00 0.00 O ATOM 904 CB ASP C 59 -6.774 -8.526 -0.327 1.00 0.00 C ATOM 905 CG ASP C 59 -5.589 -9.304 0.214 1.00 0.00 C ATOM 906 OD1 ASP C 59 -4.690 -8.677 0.812 1.00 0.00 O ATOM 907 OD2 ASP C 59 -5.563 -10.541 0.041 1.00 0.00 O ATOM 0 H ASP C 59 -8.330 -6.613 -1.162 1.00 0.00 H new ATOM 0 HA ASP C 59 -6.845 -7.154 1.325 1.00 0.00 H new ATOM 0 HB2 ASP C 59 -7.695 -9.057 -0.085 1.00 0.00 H new ATOM 0 HB3 ASP C 59 -6.709 -8.480 -1.414 1.00 0.00 H new ATOM 912 N ILE C 60 -4.758 -5.978 0.743 1.00 0.00 N ATOM 913 CA ILE C 60 -3.550 -5.217 0.448 1.00 0.00 C ATOM 914 C ILE C 60 -2.310 -5.938 0.964 1.00 0.00 C ATOM 915 O ILE C 60 -2.147 -6.135 2.169 1.00 0.00 O ATOM 916 CB ILE C 60 -3.606 -3.806 1.067 1.00 0.00 C ATOM 917 CG1 ILE C 60 -3.741 -3.894 2.590 1.00 0.00 C ATOM 918 CG2 ILE C 60 -4.758 -3.012 0.470 1.00 0.00 C ATOM 919 CD1 ILE C 60 -2.498 -3.456 3.333 1.00 0.00 C ATOM 0 H ILE C 60 -4.871 -6.227 1.726 1.00 0.00 H new ATOM 0 HA ILE C 60 -3.491 -5.125 -0.637 1.00 0.00 H new ATOM 0 HB ILE C 60 -2.675 -3.288 0.836 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.581 -3.277 2.908 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -3.977 -4.921 2.867 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -4.785 -2.018 0.917 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.618 -2.922 -0.607 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -5.698 -3.526 0.672 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -2.666 -3.545 4.406 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -1.659 -4.089 3.043 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -2.273 -2.419 3.085 1.00 0.00 H new ATOM 931 N GLU C 61 -1.438 -6.334 0.042 1.00 0.00 N ATOM 932 CA GLU C 61 -0.212 -7.039 0.399 1.00 0.00 C ATOM 933 C GLU C 61 1.014 -6.166 0.150 1.00 0.00 C ATOM 934 O GLU C 61 1.636 -6.240 -0.909 1.00 0.00 O ATOM 935 CB GLU C 61 -0.097 -8.336 -0.401 1.00 0.00 C ATOM 936 CG GLU C 61 0.540 -9.476 0.376 1.00 0.00 C ATOM 937 CD GLU C 61 0.245 -10.833 -0.233 1.00 0.00 C ATOM 938 OE1 GLU C 61 -0.942 -11.222 -0.269 1.00 0.00 O ATOM 939 OE2 GLU C 61 1.200 -11.506 -0.674 1.00 0.00 O ATOM 0 H GLU C 61 -1.558 -6.178 -0.959 1.00 0.00 H new ATOM 0 HA GLU C 61 -0.256 -7.275 1.462 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -1.091 -8.641 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU C 61 0.490 -8.148 -1.300 1.00 0.00 H new ATOM 0 HG2 GLU C 61 1.619 -9.326 0.415 1.00 0.00 H new ATOM 0 HG3 GLU C 61 0.178 -9.457 1.404 1.00 0.00 H new ATOM 946 N VAL C 62 1.358 -5.343 1.135 1.00 0.00 N ATOM 947 CA VAL C 62 2.512 -4.459 1.024 1.00 0.00 C ATOM 948 C VAL C 62 3.803 -5.211 1.324 1.00 0.00 C ATOM 949 O VAL C 62 3.973 -5.762 2.412 1.00 0.00 O ATOM 950 CB VAL C 62 2.397 -3.259 1.983 1.00 0.00 C ATOM 951 CG1 VAL C 62 3.579 -2.318 1.807 1.00 0.00 C ATOM 952 CG2 VAL C 62 1.082 -2.525 1.763 1.00 0.00 C ATOM 0 H VAL C 62 0.854 -5.270 2.019 1.00 0.00 H new ATOM 0 HA VAL C 62 2.534 -4.091 -0.002 1.00 0.00 H new ATOM 0 HB VAL C 62 2.411 -3.632 3.007 1.00 0.00 H new ATOM 0 HG11 VAL C 62 3.480 -1.477 2.493 1.00 0.00 H new ATOM 0 HG12 VAL C 62 4.505 -2.853 2.020 1.00 0.00 H new ATOM 0 HG13 VAL C 62 3.601 -1.949 0.781 1.00 0.00 H new ATOM 0 HG21 VAL C 62 1.018 -1.680 2.449 1.00 0.00 H new ATOM 0 HG22 VAL C 62 1.035 -2.163 0.736 1.00 0.00 H new ATOM 0 HG23 VAL C 62 0.250 -3.205 1.946 1.00 0.00 H new ATOM 962 N ASP C 63 4.711 -5.231 0.353 1.00 0.00 N ATOM 963 CA ASP C 63 5.985 -5.918 0.521 1.00 0.00 C ATOM 964 C ASP C 63 7.114 -5.152 -0.162 1.00 0.00 C ATOM 965 O ASP C 63 7.107 -4.971 -1.380 1.00 0.00 O ATOM 966 CB ASP C 63 5.901 -7.336 -0.048 1.00 0.00 C ATOM 967 CG ASP C 63 4.659 -8.073 0.414 1.00 0.00 C ATOM 968 OD1 ASP C 63 3.543 -7.619 0.087 1.00 0.00 O ATOM 969 OD2 ASP C 63 4.802 -9.106 1.101 1.00 0.00 O ATOM 0 H ASP C 63 4.588 -4.781 -0.554 1.00 0.00 H new ATOM 0 HA ASP C 63 6.201 -5.971 1.588 1.00 0.00 H new ATOM 0 HB2 ASP C 63 5.908 -7.288 -1.137 1.00 0.00 H new ATOM 0 HB3 ASP C 63 6.786 -7.898 0.252 1.00 0.00 H new ATOM 974 N LEU C 64 8.085 -4.707 0.631 1.00 0.00 N ATOM 975 CA LEU C 64 9.224 -3.964 0.100 1.00 0.00 C ATOM 976 C LEU C 64 10.522 -4.436 0.746 1.00 0.00 C ATOM 977 O LEU C 64 10.687 -4.354 1.965 1.00 0.00 O ATOM 978 CB LEU C 64 9.043 -2.455 0.317 1.00 0.00 C ATOM 979 CG LEU C 64 7.985 -2.057 1.351 1.00 0.00 C ATOM 980 CD1 LEU C 64 8.120 -0.587 1.714 1.00 0.00 C ATOM 981 CD2 LEU C 64 6.587 -2.348 0.823 1.00 0.00 C ATOM 0 H LEU C 64 8.106 -4.847 1.641 1.00 0.00 H new ATOM 0 HA LEU C 64 9.278 -4.154 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU C 64 10.000 -2.033 0.622 1.00 0.00 H new ATOM 0 HB3 LEU C 64 8.783 -1.998 -0.637 1.00 0.00 H new ATOM 0 HG LEU C 64 8.145 -2.650 2.251 1.00 0.00 H new ATOM 0 HD11 LEU C 64 7.360 -0.323 2.450 1.00 0.00 H new ATOM 0 HD12 LEU C 64 9.110 -0.405 2.133 1.00 0.00 H new ATOM 0 HD13 LEU C 64 7.987 0.022 0.820 1.00 0.00 H new ATOM 0 HD21 LEU C 64 5.848 -2.059 1.571 1.00 0.00 H new ATOM 0 HD22 LEU C 64 6.418 -1.780 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU C 64 6.492 -3.413 0.612 1.00 0.00 H new ATOM 993 N LEU C 65 11.439 -4.935 -0.077 1.00 0.00 N ATOM 994 CA LEU C 65 12.720 -5.426 0.415 1.00 0.00 C ATOM 995 C LEU C 65 13.730 -5.553 -0.723 1.00 0.00 C ATOM 996 O LEU C 65 13.509 -5.045 -1.822 1.00 0.00 O ATOM 997 CB LEU C 65 12.533 -6.782 1.104 1.00 0.00 C ATOM 998 CG LEU C 65 12.238 -7.953 0.165 1.00 0.00 C ATOM 999 CD1 LEU C 65 12.478 -9.278 0.871 1.00 0.00 C ATOM 1000 CD2 LEU C 65 10.809 -7.872 -0.351 1.00 0.00 C ATOM 0 H LEU C 65 11.318 -5.010 -1.087 1.00 0.00 H new ATOM 0 HA LEU C 65 13.107 -4.707 1.137 1.00 0.00 H new ATOM 0 HB2 LEU C 65 13.435 -7.011 1.672 1.00 0.00 H new ATOM 0 HB3 LEU C 65 11.717 -6.698 1.822 1.00 0.00 H new ATOM 0 HG LEU C 65 12.916 -7.892 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU C 65 12.263 -10.099 0.187 1.00 0.00 H new ATOM 0 HD12 LEU C 65 13.518 -9.336 1.192 1.00 0.00 H new ATOM 0 HD13 LEU C 65 11.825 -9.350 1.741 1.00 0.00 H new ATOM 0 HD21 LEU C 65 10.615 -8.712 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU C 65 10.116 -7.908 0.490 1.00 0.00 H new ATOM 0 HD23 LEU C 65 10.671 -6.938 -0.895 1.00 0.00 H new ATOM 1012 N LYS C 66 14.839 -6.237 -0.452 1.00 0.00 N ATOM 1013 CA LYS C 66 15.882 -6.435 -1.453 1.00 0.00 C ATOM 1014 C LYS C 66 16.376 -5.100 -2.003 1.00 0.00 C ATOM 1015 O LYS C 66 15.805 -4.628 -3.008 1.00 0.00 O ATOM 1016 CB LYS C 66 15.358 -7.307 -2.596 1.00 0.00 C ATOM 1017 CG LYS C 66 15.334 -8.790 -2.267 1.00 0.00 C ATOM 1018 CD LYS C 66 16.473 -9.532 -2.949 1.00 0.00 C ATOM 1019 CE LYS C 66 17.081 -10.581 -2.034 1.00 0.00 C ATOM 1020 NZ LYS C 66 16.042 -11.450 -1.419 1.00 0.00 N ATOM 1021 OXT LYS C 66 17.330 -4.539 -1.423 1.00 0.00 O ATOM 0 H LYS C 66 15.038 -6.663 0.453 1.00 0.00 H new ATOM 0 HA LYS C 66 16.720 -6.939 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS C 66 14.350 -6.984 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS C 66 15.980 -7.149 -3.477 1.00 0.00 H new ATOM 0 HG2 LYS C 66 15.405 -8.925 -1.188 1.00 0.00 H new ATOM 0 HG3 LYS C 66 14.381 -9.218 -2.580 1.00 0.00 H new ATOM 0 HD2 LYS C 66 16.105 -10.009 -3.857 1.00 0.00 H new ATOM 0 HD3 LYS C 66 17.242 -8.821 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS C 66 17.780 -11.196 -2.601 1.00 0.00 H new ATOM 0 HE3 LYS C 66 17.654 -10.089 -1.248 1.00 0.00 H new ATOM 0 HZ1 LYS C 66 16.466 -12.361 -1.151 1.00 0.00 H new ATOM 0 HZ2 LYS C 66 15.657 -10.985 -0.572 1.00 0.00 H new ATOM 0 HZ3 LYS C 66 15.276 -11.613 -2.103 1.00 0.00 H new ATOM 1036 N SER D 67 11.468 9.865 13.599 1.00 0.00 N ATOM 1037 CA SER D 67 11.577 10.726 12.391 1.00 0.00 C ATOM 1038 C SER D 67 12.069 9.929 11.188 1.00 0.00 C ATOM 1039 O SER D 67 12.941 10.381 10.446 1.00 0.00 O ATOM 1040 CB SER D 67 12.544 11.871 12.696 1.00 0.00 C ATOM 1041 OG SER D 67 12.174 13.051 12.002 1.00 0.00 O ATOM 0 HA SER D 67 10.592 11.120 12.142 1.00 0.00 H new ATOM 0 HB2 SER D 67 12.556 12.065 13.769 1.00 0.00 H new ATOM 0 HB3 SER D 67 13.556 11.581 12.413 1.00 0.00 H new ATOM 0 HG SER D 67 12.807 13.768 12.215 1.00 0.00 H new ATOM 1049 N ASN D 68 11.508 8.739 11.001 1.00 0.00 N ATOM 1050 CA ASN D 68 11.897 7.881 9.888 1.00 0.00 C ATOM 1051 C ASN D 68 10.769 6.927 9.508 1.00 0.00 C ATOM 1052 O ASN D 68 10.483 6.727 8.328 1.00 0.00 O ATOM 1053 CB ASN D 68 13.152 7.085 10.247 1.00 0.00 C ATOM 1054 CG ASN D 68 12.928 6.155 11.424 1.00 0.00 C ATOM 1055 OD1 ASN D 68 12.719 4.954 11.251 1.00 0.00 O ATOM 1056 ND2 ASN D 68 12.967 6.708 12.631 1.00 0.00 N ATOM 0 H ASN D 68 10.784 8.348 11.604 1.00 0.00 H new ATOM 0 HA ASN D 68 12.109 8.519 9.030 1.00 0.00 H new ATOM 0 HB2 ASN D 68 13.470 6.503 9.382 1.00 0.00 H new ATOM 0 HB3 ASN D 68 13.962 7.775 10.482 1.00 0.00 H new ATOM 0 HD21 ASN D 68 12.821 6.133 13.460 1.00 0.00 H new ATOM 0 HD22 ASN D 68 13.143 7.708 12.728 1.00 0.00 H new ATOM 1063 N PHE D 69 10.136 6.334 10.516 1.00 0.00 N ATOM 1064 CA PHE D 69 9.046 5.398 10.281 1.00 0.00 C ATOM 1065 C PHE D 69 7.693 6.102 10.327 1.00 0.00 C ATOM 1066 O PHE D 69 7.474 7.003 11.135 1.00 0.00 O ATOM 1067 CB PHE D 69 9.083 4.269 11.315 1.00 0.00 C ATOM 1068 CG PHE D 69 7.913 3.329 11.218 1.00 0.00 C ATOM 1069 CD1 PHE D 69 6.688 3.672 11.766 1.00 0.00 C ATOM 1070 CD2 PHE D 69 8.037 2.110 10.572 1.00 0.00 C ATOM 1071 CE1 PHE D 69 5.607 2.817 11.672 1.00 0.00 C ATOM 1072 CE2 PHE D 69 6.960 1.249 10.476 1.00 0.00 C ATOM 1073 CZ PHE D 69 5.743 1.604 11.027 1.00 0.00 C ATOM 0 H PHE D 69 10.360 6.486 11.500 1.00 0.00 H new ATOM 0 HA PHE D 69 9.177 4.976 9.285 1.00 0.00 H new ATOM 0 HB2 PHE D 69 10.006 3.702 11.190 1.00 0.00 H new ATOM 0 HB3 PHE D 69 9.109 4.703 12.315 1.00 0.00 H new ATOM 0 HD1 PHE D 69 6.577 4.619 12.273 1.00 0.00 H new ATOM 0 HD2 PHE D 69 8.986 1.829 10.139 1.00 0.00 H new ATOM 0 HE1 PHE D 69 4.657 3.097 12.102 1.00 0.00 H new ATOM 0 HE2 PHE D 69 7.069 0.300 9.971 1.00 0.00 H new ATOM 0 HZ PHE D 69 4.900 0.933 10.953 1.00 0.00 H new ATOM 1083 N LEU D 70 6.789 5.672 9.453 1.00 0.00 N ATOM 1084 CA LEU D 70 5.447 6.238 9.379 1.00 0.00 C ATOM 1085 C LEU D 70 4.505 5.256 8.692 1.00 0.00 C ATOM 1086 O LEU D 70 4.739 4.860 7.551 1.00 0.00 O ATOM 1087 CB LEU D 70 5.473 7.564 8.615 1.00 0.00 C ATOM 1088 CG LEU D 70 6.066 8.745 9.386 1.00 0.00 C ATOM 1089 CD1 LEU D 70 5.970 10.021 8.562 1.00 0.00 C ATOM 1090 CD2 LEU D 70 5.364 8.919 10.726 1.00 0.00 C ATOM 0 H LEU D 70 6.964 4.926 8.780 1.00 0.00 H new ATOM 0 HA LEU D 70 5.088 6.425 10.391 1.00 0.00 H new ATOM 0 HB2 LEU D 70 6.044 7.426 7.697 1.00 0.00 H new ATOM 0 HB3 LEU D 70 4.454 7.816 8.321 1.00 0.00 H new ATOM 0 HG LEU D 70 7.119 8.536 9.577 1.00 0.00 H new ATOM 0 HD11 LEU D 70 6.396 10.851 9.125 1.00 0.00 H new ATOM 0 HD12 LEU D 70 6.521 9.894 7.630 1.00 0.00 H new ATOM 0 HD13 LEU D 70 4.924 10.233 8.340 1.00 0.00 H new ATOM 0 HD21 LEU D 70 5.801 9.764 11.258 1.00 0.00 H new ATOM 0 HD22 LEU D 70 4.303 9.104 10.559 1.00 0.00 H new ATOM 0 HD23 LEU D 70 5.485 8.014 11.321 1.00 0.00 H new ATOM 1102 N ASN D 71 3.454 4.843 9.396 1.00 0.00 N ATOM 1103 CA ASN D 71 2.506 3.883 8.841 1.00 0.00 C ATOM 1104 C ASN D 71 1.059 4.232 9.190 1.00 0.00 C ATOM 1105 O ASN D 71 0.801 5.144 9.973 1.00 0.00 O ATOM 1106 CB ASN D 71 2.834 2.479 9.355 1.00 0.00 C ATOM 1107 CG ASN D 71 2.444 1.388 8.377 1.00 0.00 C ATOM 1108 OD1 ASN D 71 3.146 1.136 7.399 1.00 0.00 O ATOM 1109 ND2 ASN D 71 1.319 0.732 8.640 1.00 0.00 N ATOM 0 H ASN D 71 3.239 5.155 10.343 1.00 0.00 H new ATOM 0 HA ASN D 71 2.601 3.919 7.756 1.00 0.00 H new ATOM 0 HB2 ASN D 71 3.903 2.412 9.559 1.00 0.00 H new ATOM 0 HB3 ASN D 71 2.318 2.314 10.301 1.00 0.00 H new ATOM 0 HD21 ASN D 71 1.007 -0.014 8.019 1.00 0.00 H new ATOM 0 HD22 ASN D 71 0.768 0.975 9.463 1.00 0.00 H new ATOM 1116 N CYS D 72 0.127 3.465 8.597 1.00 0.00 N ATOM 1117 CA CYS D 72 -1.318 3.632 8.819 1.00 0.00 C ATOM 1118 C CYS D 72 -1.693 5.100 8.952 1.00 0.00 C ATOM 1119 O CYS D 72 -2.170 5.719 7.999 1.00 0.00 O ATOM 1120 CB CYS D 72 -1.781 2.852 10.060 1.00 0.00 C ATOM 1121 SG CYS D 72 -0.498 2.558 11.305 1.00 0.00 S ATOM 0 H CYS D 72 0.356 2.711 7.949 1.00 0.00 H new ATOM 0 HA CYS D 72 -1.828 3.227 7.945 1.00 0.00 H new ATOM 0 HB2 CYS D 72 -2.601 3.397 10.527 1.00 0.00 H new ATOM 0 HB3 CYS D 72 -2.180 1.890 9.738 1.00 0.00 H new ATOM 0 HG CYS D 72 -1.005 1.896 12.302 1.00 0.00 H new ATOM 1127 N TYR D 73 -1.449 5.657 10.131 1.00 0.00 N ATOM 1128 CA TYR D 73 -1.721 7.061 10.393 1.00 0.00 C ATOM 1129 C TYR D 73 -3.210 7.350 10.565 1.00 0.00 C ATOM 1130 O TYR D 73 -3.717 7.357 11.688 1.00 0.00 O ATOM 1131 CB TYR D 73 -1.128 7.923 9.277 1.00 0.00 C ATOM 1132 CG TYR D 73 0.033 8.753 9.738 1.00 0.00 C ATOM 1133 CD1 TYR D 73 -0.159 9.759 10.673 1.00 0.00 C ATOM 1134 CD2 TYR D 73 1.313 8.546 9.243 1.00 0.00 C ATOM 1135 CE1 TYR D 73 0.896 10.538 11.107 1.00 0.00 C ATOM 1136 CE2 TYR D 73 2.374 9.321 9.671 1.00 0.00 C ATOM 1137 CZ TYR D 73 2.161 10.316 10.603 1.00 0.00 C ATOM 1138 OH TYR D 73 3.214 11.091 11.031 1.00 0.00 O ATOM 0 H TYR D 73 -1.060 5.151 10.927 1.00 0.00 H new ATOM 0 HA TYR D 73 -1.245 7.314 11.340 1.00 0.00 H new ATOM 0 HB2 TYR D 73 -0.806 7.279 8.459 1.00 0.00 H new ATOM 0 HB3 TYR D 73 -1.903 8.579 8.880 1.00 0.00 H new ATOM 0 HD1 TYR D 73 -1.148 9.936 11.068 1.00 0.00 H new ATOM 0 HD2 TYR D 73 1.482 7.768 8.513 1.00 0.00 H new ATOM 0 HE1 TYR D 73 0.731 11.317 11.837 1.00 0.00 H new ATOM 0 HE2 TYR D 73 3.365 9.149 9.278 1.00 0.00 H new ATOM 0 HH TYR D 73 3.868 11.182 10.307 1.00 0.00 H new ATOM 1148 N VAL D 74 -3.910 7.608 9.463 1.00 0.00 N ATOM 1149 CA VAL D 74 -5.329 7.914 9.536 1.00 0.00 C ATOM 1150 C VAL D 74 -6.172 6.704 9.143 1.00 0.00 C ATOM 1151 O VAL D 74 -7.071 6.799 8.303 1.00 0.00 O ATOM 1152 CB VAL D 74 -5.695 9.110 8.635 1.00 0.00 C ATOM 1153 CG1 VAL D 74 -7.159 9.488 8.809 1.00 0.00 C ATOM 1154 CG2 VAL D 74 -4.790 10.297 8.933 1.00 0.00 C ATOM 0 H VAL D 74 -3.520 7.611 8.521 1.00 0.00 H new ATOM 0 HA VAL D 74 -5.545 8.178 10.571 1.00 0.00 H new ATOM 0 HB VAL D 74 -5.544 8.817 7.596 1.00 0.00 H new ATOM 0 HG11 VAL D 74 -7.395 10.334 8.164 1.00 0.00 H new ATOM 0 HG12 VAL D 74 -7.788 8.640 8.540 1.00 0.00 H new ATOM 0 HG13 VAL D 74 -7.343 9.761 9.848 1.00 0.00 H new ATOM 0 HG21 VAL D 74 -5.062 11.133 8.288 1.00 0.00 H new ATOM 0 HG22 VAL D 74 -4.907 10.591 9.976 1.00 0.00 H new ATOM 0 HG23 VAL D 74 -3.752 10.019 8.748 1.00 0.00 H new ATOM 1164 N SER D 75 -5.874 5.566 9.764 1.00 0.00 N ATOM 1165 CA SER D 75 -6.593 4.327 9.491 1.00 0.00 C ATOM 1166 C SER D 75 -7.757 4.143 10.463 1.00 0.00 C ATOM 1167 O SER D 75 -8.213 5.101 11.088 1.00 0.00 O ATOM 1168 CB SER D 75 -5.635 3.136 9.583 1.00 0.00 C ATOM 1169 OG SER D 75 -4.396 3.428 8.959 1.00 0.00 O ATOM 0 H SER D 75 -5.136 5.477 10.463 1.00 0.00 H new ATOM 0 HA SER D 75 -7.000 4.383 8.482 1.00 0.00 H new ATOM 0 HB2 SER D 75 -5.467 2.880 10.629 1.00 0.00 H new ATOM 0 HB3 SER D 75 -6.087 2.264 9.110 1.00 0.00 H new ATOM 0 HG SER D 75 -4.491 3.343 7.987 1.00 0.00 H new ATOM 1175 N GLY D 76 -8.233 2.906 10.588 1.00 0.00 N ATOM 1176 CA GLY D 76 -9.338 2.626 11.489 1.00 0.00 C ATOM 1177 C GLY D 76 -10.207 1.464 11.030 1.00 0.00 C ATOM 1178 O GLY D 76 -11.130 1.063 11.738 1.00 0.00 O ATOM 0 H GLY D 76 -7.874 2.095 10.083 1.00 0.00 H new ATOM 0 HA2 GLY D 76 -8.943 2.406 12.481 1.00 0.00 H new ATOM 0 HA3 GLY D 76 -9.956 3.519 11.583 1.00 0.00 H new ATOM 1182 N PHE D 77 -9.918 0.921 9.847 1.00 0.00 N ATOM 1183 CA PHE D 77 -10.688 -0.199 9.307 1.00 0.00 C ATOM 1184 C PHE D 77 -10.891 -1.291 10.354 1.00 0.00 C ATOM 1185 O PHE D 77 -10.299 -1.252 11.432 1.00 0.00 O ATOM 1186 CB PHE D 77 -9.989 -0.791 8.077 1.00 0.00 C ATOM 1187 CG PHE D 77 -8.486 -0.801 8.167 1.00 0.00 C ATOM 1188 CD1 PHE D 77 -7.845 -1.061 9.369 1.00 0.00 C ATOM 1189 CD2 PHE D 77 -7.714 -0.549 7.043 1.00 0.00 C ATOM 1190 CE1 PHE D 77 -6.464 -1.070 9.448 1.00 0.00 C ATOM 1191 CE2 PHE D 77 -6.334 -0.558 7.116 1.00 0.00 C ATOM 1192 CZ PHE D 77 -5.708 -0.818 8.320 1.00 0.00 C ATOM 0 H PHE D 77 -9.158 1.238 9.246 1.00 0.00 H new ATOM 0 HA PHE D 77 -11.665 0.187 9.016 1.00 0.00 H new ATOM 0 HB2 PHE D 77 -10.340 -1.812 7.930 1.00 0.00 H new ATOM 0 HB3 PHE D 77 -10.285 -0.222 7.196 1.00 0.00 H new ATOM 0 HD1 PHE D 77 -8.431 -1.259 10.254 1.00 0.00 H new ATOM 0 HD2 PHE D 77 -8.197 -0.343 6.099 1.00 0.00 H new ATOM 0 HE1 PHE D 77 -5.978 -1.274 10.390 1.00 0.00 H new ATOM 0 HE2 PHE D 77 -5.745 -0.362 6.232 1.00 0.00 H new ATOM 0 HZ PHE D 77 -4.630 -0.824 8.379 1.00 0.00 H new ATOM 1202 N HIS D 78 -11.731 -2.268 10.025 1.00 0.00 N ATOM 1203 CA HIS D 78 -12.008 -3.374 10.935 1.00 0.00 C ATOM 1204 C HIS D 78 -11.528 -4.700 10.342 1.00 0.00 C ATOM 1205 O HIS D 78 -10.610 -5.323 10.875 1.00 0.00 O ATOM 1206 CB HIS D 78 -13.503 -3.442 11.262 1.00 0.00 C ATOM 1207 CG HIS D 78 -13.837 -2.957 12.639 1.00 0.00 C ATOM 1208 ND1 HIS D 78 -15.133 -2.820 13.095 1.00 0.00 N ATOM 1209 CD2 HIS D 78 -13.039 -2.575 13.665 1.00 0.00 C ATOM 1210 CE1 HIS D 78 -15.115 -2.374 14.339 1.00 0.00 C ATOM 1211 NE2 HIS D 78 -13.858 -2.218 14.708 1.00 0.00 N ATOM 0 H HIS D 78 -12.231 -2.316 9.137 1.00 0.00 H new ATOM 0 HA HIS D 78 -11.460 -3.197 11.861 1.00 0.00 H new ATOM 0 HB2 HIS D 78 -14.054 -2.848 10.533 1.00 0.00 H new ATOM 0 HB3 HIS D 78 -13.843 -4.472 11.156 1.00 0.00 H new ATOM 0 HD2 HIS D 78 -11.959 -2.555 13.663 1.00 0.00 H new ATOM 0 HE1 HIS D 78 -15.982 -2.172 14.950 1.00 0.00 H new ATOM 0 HE2 HIS D 78 -13.545 -1.886 15.620 1.00 0.00 H new ATOM 1220 N PRO D 79 -12.134 -5.157 9.226 1.00 0.00 N ATOM 1221 CA PRO D 79 -11.746 -6.409 8.583 1.00 0.00 C ATOM 1222 C PRO D 79 -10.573 -6.220 7.611 1.00 0.00 C ATOM 1223 O PRO D 79 -9.435 -6.041 8.043 1.00 0.00 O ATOM 1224 CB PRO D 79 -13.032 -6.806 7.860 1.00 0.00 C ATOM 1225 CG PRO D 79 -13.632 -5.505 7.444 1.00 0.00 C ATOM 1226 CD PRO D 79 -13.242 -4.498 8.500 1.00 0.00 C ATOM 0 HA PRO D 79 -11.386 -7.165 9.281 1.00 0.00 H new ATOM 0 HB2 PRO D 79 -12.825 -7.443 7.000 1.00 0.00 H new ATOM 0 HB3 PRO D 79 -13.702 -7.363 8.515 1.00 0.00 H new ATOM 0 HG2 PRO D 79 -13.263 -5.203 6.464 1.00 0.00 H new ATOM 0 HG3 PRO D 79 -14.716 -5.585 7.365 1.00 0.00 H new ATOM 0 HD2 PRO D 79 -12.924 -3.555 8.055 1.00 0.00 H new ATOM 0 HD3 PRO D 79 -14.076 -4.272 9.164 1.00 0.00 H new ATOM 1234 N SER D 80 -10.845 -6.251 6.302 1.00 0.00 N ATOM 1235 CA SER D 80 -9.800 -6.075 5.295 1.00 0.00 C ATOM 1236 C SER D 80 -8.632 -7.030 5.531 1.00 0.00 C ATOM 1237 O SER D 80 -8.602 -7.761 6.520 1.00 0.00 O ATOM 1238 CB SER D 80 -9.301 -4.629 5.300 1.00 0.00 C ATOM 1239 OG SER D 80 -8.139 -4.486 4.502 1.00 0.00 O ATOM 0 H SER D 80 -11.779 -6.396 5.918 1.00 0.00 H new ATOM 0 HA SER D 80 -10.233 -6.304 4.321 1.00 0.00 H new ATOM 0 HB2 SER D 80 -10.085 -3.970 4.927 1.00 0.00 H new ATOM 0 HB3 SER D 80 -9.084 -4.320 6.322 1.00 0.00 H new ATOM 0 HG SER D 80 -8.351 -4.711 3.572 1.00 0.00 H new ATOM 1245 N ASP D 81 -7.669 -7.015 4.615 1.00 0.00 N ATOM 1246 CA ASP D 81 -6.495 -7.875 4.724 1.00 0.00 C ATOM 1247 C ASP D 81 -5.220 -7.041 4.769 1.00 0.00 C ATOM 1248 O ASP D 81 -4.461 -6.990 3.800 1.00 0.00 O ATOM 1249 CB ASP D 81 -6.439 -8.860 3.553 1.00 0.00 C ATOM 1250 CG ASP D 81 -7.787 -9.485 3.253 1.00 0.00 C ATOM 1251 OD1 ASP D 81 -8.650 -9.496 4.155 1.00 0.00 O ATOM 1252 OD2 ASP D 81 -7.979 -9.963 2.115 1.00 0.00 O ATOM 0 H ASP D 81 -7.678 -6.417 3.789 1.00 0.00 H new ATOM 0 HA ASP D 81 -6.574 -8.440 5.653 1.00 0.00 H new ATOM 0 HB2 ASP D 81 -6.077 -8.343 2.665 1.00 0.00 H new ATOM 0 HB3 ASP D 81 -5.720 -9.647 3.779 1.00 0.00 H new ATOM 1257 N ILE D 82 -4.992 -6.383 5.902 1.00 0.00 N ATOM 1258 CA ILE D 82 -3.811 -5.545 6.080 1.00 0.00 C ATOM 1259 C ILE D 82 -2.557 -6.393 6.277 1.00 0.00 C ATOM 1260 O ILE D 82 -2.370 -7.015 7.322 1.00 0.00 O ATOM 1261 CB ILE D 82 -3.986 -4.586 7.280 1.00 0.00 C ATOM 1262 CG1 ILE D 82 -2.834 -3.571 7.341 1.00 0.00 C ATOM 1263 CG2 ILE D 82 -4.104 -5.365 8.584 1.00 0.00 C ATOM 1264 CD1 ILE D 82 -1.513 -4.152 7.807 1.00 0.00 C ATOM 0 H ILE D 82 -5.611 -6.414 6.712 1.00 0.00 H new ATOM 0 HA ILE D 82 -3.694 -4.954 5.172 1.00 0.00 H new ATOM 0 HB ILE D 82 -4.913 -4.030 7.139 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -2.697 -3.135 6.351 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -3.116 -2.759 8.011 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -4.226 -4.669 9.414 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -4.968 -6.027 8.535 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -3.202 -5.957 8.737 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -0.755 -3.368 7.821 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -1.629 -4.562 8.810 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -1.203 -4.944 7.125 1.00 0.00 H new ATOM 1276 N GLU D 83 -1.699 -6.407 5.262 1.00 0.00 N ATOM 1277 CA GLU D 83 -0.458 -7.173 5.320 1.00 0.00 C ATOM 1278 C GLU D 83 0.723 -6.317 4.875 1.00 0.00 C ATOM 1279 O GLU D 83 0.883 -6.035 3.687 1.00 0.00 O ATOM 1280 CB GLU D 83 -0.562 -8.420 4.441 1.00 0.00 C ATOM 1281 CG GLU D 83 -0.033 -9.679 5.106 1.00 0.00 C ATOM 1282 CD GLU D 83 -0.931 -10.878 4.879 1.00 0.00 C ATOM 1283 OE1 GLU D 83 -0.759 -11.563 3.849 1.00 0.00 O ATOM 1284 OE2 GLU D 83 -1.808 -11.132 5.732 1.00 0.00 O ATOM 0 H GLU D 83 -1.840 -5.897 4.390 1.00 0.00 H new ATOM 0 HA GLU D 83 -0.294 -7.481 6.353 1.00 0.00 H new ATOM 0 HB2 GLU D 83 -1.606 -8.575 4.167 1.00 0.00 H new ATOM 0 HB3 GLU D 83 -0.011 -8.249 3.516 1.00 0.00 H new ATOM 0 HG2 GLU D 83 0.963 -9.898 4.721 1.00 0.00 H new ATOM 0 HG3 GLU D 83 0.070 -9.504 6.177 1.00 0.00 H new ATOM 1291 N VAL D 84 1.543 -5.902 5.834 1.00 0.00 N ATOM 1292 CA VAL D 84 2.705 -5.073 5.536 1.00 0.00 C ATOM 1293 C VAL D 84 3.991 -5.714 6.047 1.00 0.00 C ATOM 1294 O VAL D 84 4.073 -6.135 7.200 1.00 0.00 O ATOM 1295 CB VAL D 84 2.566 -3.670 6.156 1.00 0.00 C ATOM 1296 CG1 VAL D 84 3.678 -2.757 5.665 1.00 0.00 C ATOM 1297 CG2 VAL D 84 1.200 -3.077 5.840 1.00 0.00 C ATOM 0 H VAL D 84 1.425 -6.125 6.822 1.00 0.00 H new ATOM 0 HA VAL D 84 2.756 -4.983 4.451 1.00 0.00 H new ATOM 0 HB VAL D 84 2.654 -3.762 7.239 1.00 0.00 H new ATOM 0 HG11 VAL D 84 3.563 -1.770 6.114 1.00 0.00 H new ATOM 0 HG12 VAL D 84 4.644 -3.175 5.949 1.00 0.00 H new ATOM 0 HG13 VAL D 84 3.625 -2.670 4.580 1.00 0.00 H new ATOM 0 HG21 VAL D 84 1.121 -2.086 6.287 1.00 0.00 H new ATOM 0 HG22 VAL D 84 1.078 -2.999 4.760 1.00 0.00 H new ATOM 0 HG23 VAL D 84 0.421 -3.721 6.247 1.00 0.00 H new ATOM 1307 N ASP D 85 4.996 -5.776 5.179 1.00 0.00 N ATOM 1308 CA ASP D 85 6.285 -6.357 5.537 1.00 0.00 C ATOM 1309 C ASP D 85 7.426 -5.487 5.019 1.00 0.00 C ATOM 1310 O ASP D 85 7.691 -5.446 3.816 1.00 0.00 O ATOM 1311 CB ASP D 85 6.410 -7.775 4.975 1.00 0.00 C ATOM 1312 CG ASP D 85 5.943 -7.871 3.535 1.00 0.00 C ATOM 1313 OD1 ASP D 85 4.717 -7.964 3.314 1.00 0.00 O ATOM 1314 OD2 ASP D 85 6.803 -7.853 2.630 1.00 0.00 O ATOM 0 H ASP D 85 4.942 -5.430 4.221 1.00 0.00 H new ATOM 0 HA ASP D 85 6.347 -6.405 6.624 1.00 0.00 H new ATOM 0 HB2 ASP D 85 7.449 -8.098 5.039 1.00 0.00 H new ATOM 0 HB3 ASP D 85 5.825 -8.459 5.590 1.00 0.00 H new ATOM 1319 N LEU D 86 8.094 -4.788 5.931 1.00 0.00 N ATOM 1320 CA LEU D 86 9.202 -3.915 5.564 1.00 0.00 C ATOM 1321 C LEU D 86 10.539 -4.529 5.963 1.00 0.00 C ATOM 1322 O LEU D 86 10.695 -5.030 7.076 1.00 0.00 O ATOM 1323 CB LEU D 86 9.049 -2.543 6.228 1.00 0.00 C ATOM 1324 CG LEU D 86 7.628 -1.974 6.253 1.00 0.00 C ATOM 1325 CD1 LEU D 86 6.980 -2.079 4.879 1.00 0.00 C ATOM 1326 CD2 LEU D 86 6.784 -2.687 7.298 1.00 0.00 C ATOM 0 H LEU D 86 7.887 -4.809 6.930 1.00 0.00 H new ATOM 0 HA LEU D 86 9.183 -3.794 4.481 1.00 0.00 H new ATOM 0 HB2 LEU D 86 9.411 -2.614 7.254 1.00 0.00 H new ATOM 0 HB3 LEU D 86 9.696 -1.835 5.710 1.00 0.00 H new ATOM 0 HG LEU D 86 7.689 -0.919 6.521 1.00 0.00 H new ATOM 0 HD11 LEU D 86 5.971 -1.669 4.920 1.00 0.00 H new ATOM 0 HD12 LEU D 86 7.570 -1.518 4.154 1.00 0.00 H new ATOM 0 HD13 LEU D 86 6.934 -3.125 4.577 1.00 0.00 H new ATOM 0 HD21 LEU D 86 5.778 -2.268 7.300 1.00 0.00 H new ATOM 0 HD22 LEU D 86 6.734 -3.750 7.062 1.00 0.00 H new ATOM 0 HD23 LEU D 86 7.234 -2.554 8.282 1.00 0.00 H new ATOM 1338 N LEU D 87 11.503 -4.480 5.049 1.00 0.00 N ATOM 1339 CA LEU D 87 12.828 -5.026 5.311 1.00 0.00 C ATOM 1340 C LEU D 87 13.893 -3.939 5.190 1.00 0.00 C ATOM 1341 O LEU D 87 13.575 -2.760 5.040 1.00 0.00 O ATOM 1342 CB LEU D 87 13.131 -6.173 4.343 1.00 0.00 C ATOM 1343 CG LEU D 87 12.944 -7.576 4.924 1.00 0.00 C ATOM 1344 CD1 LEU D 87 13.984 -7.849 6.000 1.00 0.00 C ATOM 1345 CD2 LEU D 87 11.539 -7.737 5.487 1.00 0.00 C ATOM 0 H LEU D 87 11.391 -4.068 4.122 1.00 0.00 H new ATOM 0 HA LEU D 87 12.844 -5.412 6.330 1.00 0.00 H new ATOM 0 HB2 LEU D 87 12.489 -6.070 3.469 1.00 0.00 H new ATOM 0 HB3 LEU D 87 14.160 -6.074 3.996 1.00 0.00 H new ATOM 0 HG LEU D 87 13.079 -8.302 4.122 1.00 0.00 H new ATOM 0 HD11 LEU D 87 13.837 -8.851 6.403 1.00 0.00 H new ATOM 0 HD12 LEU D 87 14.982 -7.775 5.568 1.00 0.00 H new ATOM 0 HD13 LEU D 87 13.880 -7.117 6.801 1.00 0.00 H new ATOM 0 HD21 LEU D 87 11.424 -8.741 5.896 1.00 0.00 H new ATOM 0 HD22 LEU D 87 11.377 -7.003 6.276 1.00 0.00 H new ATOM 0 HD23 LEU D 87 10.809 -7.583 4.693 1.00 0.00 H new