USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 SER OG : rot -175:sc= -0.871 USER MOD Set 1.2: A 87 HIS : no HE2:sc= -6.52! C(o=-7.4!,f=-7.5!) USER MOD Set 2.1: A 9 SER OG : rot 139:sc= 1.35 USER MOD Set 2.2: A 51 ASN : amide:sc= 0.0426 X(o=1.4,f=1.3) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.077 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc=-0.00233 X(o=-0.0023,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -112:sc= 0.416 (180deg=-0.291) USER MOD Single : A 8 CYS SG : rot -133:sc= -2.96! USER MOD Single : A 10 HIS : no HD1:sc= -5.42! C(o=-5.4!,f=-2.4!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 136:sc= -0.394 (180deg=-2.82!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 179:sc= 0 (180deg=-0.00284) USER MOD Single : A 25 LYS NZ :NH3+ 145:sc= -0.689 (180deg=-1.97!) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc=-0.00777 (180deg=-0.134) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -110:sc= 0.507 (180deg=-0.0217) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -160:sc= -1.98 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 45 SER OG : rot -57:sc= -0.0648 USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0786) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.0643 (180deg=-0.337) USER MOD Single : A 49 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.19) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= -0.0243 (180deg=-0.218) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.206) USER MOD Single : A 72 GLN : amide:sc=-0.00927 X(o=-0.0093,f=0) USER MOD Single : A 77 SER OG : rot 120:sc= -0.0313 USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= -0.0326 (180deg=-0.305) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.349 USER MOD Single : A 90 LYS NZ :NH3+ 179:sc= 0.00954 (180deg=0.00573) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.529 -0.935 -0.469 1.00 24.42 N ATOM 2 CA GLY A 1 2.182 -0.665 -1.737 1.00 12.21 C ATOM 3 C GLY A 1 2.313 0.819 -2.015 1.00 64.14 C ATOM 4 O GLY A 1 1.916 1.662 -1.211 1.00 25.41 O ATOM 0 H1 GLY A 1 2.145 -1.532 0.119 1.00 24.42 H new ATOM 0 H2 GLY A 1 1.343 -0.038 0.024 1.00 24.42 H new ATOM 0 H3 GLY A 1 0.630 -1.429 -0.640 1.00 24.42 H new ATOM 0 HA2 GLY A 1 3.172 -1.121 -1.737 1.00 12.21 H new ATOM 0 HA3 GLY A 1 1.615 -1.134 -2.541 1.00 12.21 H new ATOM 8 N PRO A 2 2.886 1.158 -3.181 1.00 31.43 N ATOM 9 CA PRO A 2 3.085 2.551 -3.590 1.00 73.42 C ATOM 10 C PRO A 2 1.771 3.250 -3.920 1.00 53.53 C ATOM 11 O PRO A 2 0.792 2.607 -4.300 1.00 34.44 O ATOM 12 CB PRO A 2 3.956 2.431 -4.843 1.00 3.33 C ATOM 13 CG PRO A 2 3.661 1.076 -5.383 1.00 73.41 C ATOM 14 CD PRO A 2 3.383 0.205 -4.188 1.00 41.34 C ATOM 0 HA PRO A 2 3.535 3.149 -2.797 1.00 73.42 H new ATOM 0 HB2 PRO A 2 3.714 3.207 -5.569 1.00 3.33 H new ATOM 0 HB3 PRO A 2 5.013 2.539 -4.602 1.00 3.33 H new ATOM 0 HG2 PRO A 2 2.803 1.102 -6.055 1.00 73.41 H new ATOM 0 HG3 PRO A 2 4.504 0.693 -5.957 1.00 73.41 H new ATOM 0 HD2 PRO A 2 2.644 -0.563 -4.414 1.00 41.34 H new ATOM 0 HD3 PRO A 2 4.282 -0.308 -3.847 1.00 41.34 H new ATOM 22 N SER A 3 1.755 4.572 -3.774 1.00 64.32 N ATOM 23 CA SER A 3 0.561 5.358 -4.054 1.00 33.13 C ATOM 24 C SER A 3 0.880 6.517 -4.994 1.00 61.34 C ATOM 25 O SER A 3 1.568 7.463 -4.618 1.00 25.05 O ATOM 26 CB SER A 3 -0.039 5.894 -2.752 1.00 53.13 C ATOM 27 OG SER A 3 -1.443 6.055 -2.865 1.00 65.30 O ATOM 0 H SER A 3 2.557 5.120 -3.463 1.00 64.32 H new ATOM 0 HA SER A 3 -0.165 4.708 -4.541 1.00 33.13 H new ATOM 0 HB2 SER A 3 0.187 5.209 -1.935 1.00 53.13 H new ATOM 0 HB3 SER A 3 0.421 6.850 -2.503 1.00 53.13 H new ATOM 0 HG SER A 3 -1.802 6.397 -2.020 1.00 65.30 H new ATOM 33 N ASN A 4 0.373 6.432 -6.220 1.00 70.31 N ATOM 34 CA ASN A 4 0.604 7.472 -7.215 1.00 43.33 C ATOM 35 C ASN A 4 -0.648 8.321 -7.416 1.00 61.41 C ATOM 36 O ASN A 4 -0.565 9.490 -7.794 1.00 65.23 O ATOM 37 CB ASN A 4 1.030 6.847 -8.546 1.00 11.22 C ATOM 38 CG ASN A 4 2.444 6.304 -8.504 1.00 5.35 C ATOM 39 OD1 ASN A 4 3.378 6.933 -9.002 1.00 44.24 O ATOM 40 ND2 ASN A 4 2.609 5.130 -7.907 1.00 24.02 N ATOM 0 H ASN A 4 -0.200 5.654 -6.547 1.00 70.31 H new ATOM 0 HA ASN A 4 1.404 8.117 -6.851 1.00 43.33 H new ATOM 0 HB2 ASN A 4 0.342 6.041 -8.802 1.00 11.22 H new ATOM 0 HB3 ASN A 4 0.954 7.594 -9.336 1.00 11.22 H new ATOM 0 HD21 ASN A 4 3.539 4.714 -7.847 1.00 24.02 H new ATOM 0 HD22 ASN A 4 1.806 4.644 -7.508 1.00 24.02 H new ATOM 47 N LYS A 5 -1.807 7.725 -7.160 1.00 14.11 N ATOM 48 CA LYS A 5 -3.077 8.425 -7.310 1.00 21.33 C ATOM 49 C LYS A 5 -4.065 7.997 -6.230 1.00 22.34 C ATOM 50 O LYS A 5 -3.899 6.950 -5.603 1.00 61.11 O ATOM 51 CB LYS A 5 -3.671 8.156 -8.694 1.00 64.40 C ATOM 52 CG LYS A 5 -3.093 6.928 -9.376 1.00 63.13 C ATOM 53 CD LYS A 5 -3.423 5.658 -8.610 1.00 73.31 C ATOM 54 CE LYS A 5 -2.211 4.745 -8.495 1.00 53.53 C ATOM 55 NZ LYS A 5 -2.602 3.309 -8.447 1.00 32.13 N ATOM 0 H LYS A 5 -1.893 6.758 -6.847 1.00 14.11 H new ATOM 0 HA LYS A 5 -2.889 9.493 -7.203 1.00 21.33 H new ATOM 0 HB2 LYS A 5 -4.750 8.035 -8.600 1.00 64.40 H new ATOM 0 HB3 LYS A 5 -3.502 9.026 -9.328 1.00 64.40 H new ATOM 0 HG2 LYS A 5 -3.486 6.855 -10.390 1.00 63.13 H new ATOM 0 HG3 LYS A 5 -2.011 7.033 -9.460 1.00 63.13 H new ATOM 0 HD2 LYS A 5 -3.781 5.916 -7.613 1.00 73.31 H new ATOM 0 HD3 LYS A 5 -4.232 5.129 -9.113 1.00 73.31 H new ATOM 0 HE2 LYS A 5 -1.548 4.913 -9.344 1.00 53.53 H new ATOM 0 HE3 LYS A 5 -1.649 4.999 -7.596 1.00 53.53 H new ATOM 0 HZ1 LYS A 5 -1.749 2.719 -8.369 1.00 32.13 H new ATOM 0 HZ2 LYS A 5 -3.214 3.143 -7.623 1.00 32.13 H new ATOM 0 HZ3 LYS A 5 -3.116 3.060 -9.316 1.00 32.13 H new ATOM 69 N ILE A 6 -5.093 8.812 -6.017 1.00 43.32 N ATOM 70 CA ILE A 6 -6.108 8.515 -5.015 1.00 41.50 C ATOM 71 C ILE A 6 -7.453 9.127 -5.396 1.00 5.54 C ATOM 72 O ILE A 6 -7.511 10.131 -6.107 1.00 70.04 O ATOM 73 CB ILE A 6 -5.696 9.036 -3.625 1.00 44.13 C ATOM 74 CG1 ILE A 6 -5.463 10.547 -3.670 1.00 22.33 C ATOM 75 CG2 ILE A 6 -4.447 8.316 -3.139 1.00 45.23 C ATOM 76 CD1 ILE A 6 -5.766 11.244 -2.363 1.00 42.31 C ATOM 0 H ILE A 6 -5.244 9.683 -6.525 1.00 43.32 H new ATOM 0 HA ILE A 6 -6.203 7.430 -4.975 1.00 41.50 H new ATOM 0 HB ILE A 6 -6.505 8.834 -2.923 1.00 44.13 H new ATOM 0 HG12 ILE A 6 -4.425 10.738 -3.942 1.00 22.33 H new ATOM 0 HG13 ILE A 6 -6.084 10.979 -4.455 1.00 22.33 H new ATOM 0 HG21 ILE A 6 -4.168 8.695 -2.156 1.00 45.23 H new ATOM 0 HG22 ILE A 6 -4.646 7.246 -3.073 1.00 45.23 H new ATOM 0 HG23 ILE A 6 -3.631 8.490 -3.840 1.00 45.23 H new ATOM 0 HD11 ILE A 6 -5.578 12.313 -2.468 1.00 42.31 H new ATOM 0 HD12 ILE A 6 -6.811 11.083 -2.099 1.00 42.31 H new ATOM 0 HD13 ILE A 6 -5.127 10.839 -1.578 1.00 42.31 H new ATOM 88 N LYS A 7 -8.531 8.518 -4.915 1.00 45.14 N ATOM 89 CA LYS A 7 -9.875 9.004 -5.201 1.00 72.43 C ATOM 90 C LYS A 7 -10.195 10.242 -4.370 1.00 50.11 C ATOM 91 O LYS A 7 -9.777 10.353 -3.217 1.00 73.32 O ATOM 92 CB LYS A 7 -10.906 7.908 -4.921 1.00 13.23 C ATOM 93 CG LYS A 7 -11.747 7.539 -6.131 1.00 10.21 C ATOM 94 CD LYS A 7 -13.093 6.967 -5.721 1.00 13.43 C ATOM 95 CE LYS A 7 -14.235 7.890 -6.120 1.00 62.13 C ATOM 96 NZ LYS A 7 -15.564 7.287 -5.826 1.00 33.01 N ATOM 0 H LYS A 7 -8.500 7.687 -4.325 1.00 45.14 H new ATOM 0 HA LYS A 7 -9.919 9.275 -6.256 1.00 72.43 H new ATOM 0 HB2 LYS A 7 -10.389 7.018 -4.563 1.00 13.23 H new ATOM 0 HB3 LYS A 7 -11.565 8.238 -4.118 1.00 13.23 H new ATOM 0 HG2 LYS A 7 -11.900 8.422 -6.752 1.00 10.21 H new ATOM 0 HG3 LYS A 7 -11.211 6.810 -6.739 1.00 10.21 H new ATOM 0 HD2 LYS A 7 -13.232 5.991 -6.187 1.00 13.43 H new ATOM 0 HD3 LYS A 7 -13.110 6.810 -4.642 1.00 13.43 H new ATOM 0 HE2 LYS A 7 -14.140 8.836 -5.588 1.00 62.13 H new ATOM 0 HE3 LYS A 7 -14.166 8.115 -7.184 1.00 62.13 H new ATOM 0 HZ1 LYS A 7 -16.053 7.072 -6.718 1.00 33.01 H new ATOM 0 HZ2 LYS A 7 -15.435 6.410 -5.282 1.00 33.01 H new ATOM 0 HZ3 LYS A 7 -16.134 7.957 -5.272 1.00 33.01 H new ATOM 110 N CYS A 8 -10.940 11.170 -4.962 1.00 3.21 N ATOM 111 CA CYS A 8 -11.316 12.401 -4.275 1.00 61.41 C ATOM 112 C CYS A 8 -12.248 13.242 -5.141 1.00 10.13 C ATOM 113 O CYS A 8 -12.311 13.066 -6.357 1.00 70.01 O ATOM 114 CB CYS A 8 -10.070 13.208 -3.912 1.00 3.25 C ATOM 115 SG CYS A 8 -9.063 13.693 -5.334 1.00 62.33 S ATOM 0 H CYS A 8 -11.295 11.093 -5.915 1.00 3.21 H new ATOM 0 HA CYS A 8 -11.844 12.132 -3.360 1.00 61.41 H new ATOM 0 HB2 CYS A 8 -10.376 14.105 -3.374 1.00 3.25 H new ATOM 0 HB3 CYS A 8 -9.456 12.621 -3.229 1.00 3.25 H new ATOM 0 HG CYS A 8 -7.812 13.444 -5.085 1.00 62.33 H new ATOM 121 N SER A 9 -12.972 14.158 -4.504 1.00 70.24 N ATOM 122 CA SER A 9 -13.906 15.024 -5.214 1.00 61.35 C ATOM 123 C SER A 9 -13.535 16.492 -5.027 1.00 42.41 C ATOM 124 O SER A 9 -12.445 16.814 -4.554 1.00 64.31 O ATOM 125 CB SER A 9 -15.334 14.781 -4.725 1.00 33.22 C ATOM 126 OG SER A 9 -15.647 13.398 -4.731 1.00 51.53 O ATOM 0 H SER A 9 -12.929 14.319 -3.498 1.00 70.24 H new ATOM 0 HA SER A 9 -13.848 14.785 -6.276 1.00 61.35 H new ATOM 0 HB2 SER A 9 -15.449 15.179 -3.717 1.00 33.22 H new ATOM 0 HB3 SER A 9 -16.036 15.319 -5.362 1.00 33.22 H new ATOM 0 HG SER A 9 -16.152 13.173 -3.921 1.00 51.53 H new ATOM 132 N HIS A 10 -14.451 17.379 -5.403 1.00 4.54 N ATOM 133 CA HIS A 10 -14.221 18.815 -5.276 1.00 61.11 C ATOM 134 C HIS A 10 -15.507 19.594 -5.530 1.00 54.44 C ATOM 135 O HIS A 10 -16.346 19.182 -6.333 1.00 2.43 O ATOM 136 CB HIS A 10 -13.135 19.267 -6.253 1.00 72.41 C ATOM 137 CG HIS A 10 -13.495 19.053 -7.690 1.00 73.43 C ATOM 138 ND1 HIS A 10 -13.795 20.086 -8.553 1.00 74.13 N ATOM 139 CD2 HIS A 10 -13.602 17.915 -8.417 1.00 24.12 C ATOM 140 CE1 HIS A 10 -14.072 19.593 -9.747 1.00 70.02 C ATOM 141 NE2 HIS A 10 -13.961 18.278 -9.692 1.00 2.21 N ATOM 0 H HIS A 10 -15.358 17.130 -5.797 1.00 4.54 H new ATOM 0 HA HIS A 10 -13.889 19.017 -4.258 1.00 61.11 H new ATOM 0 HB2 HIS A 10 -12.931 20.326 -6.092 1.00 72.41 H new ATOM 0 HB3 HIS A 10 -12.213 18.728 -6.034 1.00 72.41 H new ATOM 0 HD2 HIS A 10 -13.436 16.909 -8.060 1.00 24.12 H new ATOM 0 HE1 HIS A 10 -14.343 20.168 -10.620 1.00 70.02 H new ATOM 0 HE2 HIS A 10 -14.117 17.637 -10.470 1.00 2.21 H new ATOM 149 N ILE A 11 -15.656 20.721 -4.842 1.00 44.12 N ATOM 150 CA ILE A 11 -16.840 21.559 -4.994 1.00 63.32 C ATOM 151 C ILE A 11 -16.493 23.035 -4.836 1.00 22.24 C ATOM 152 O ILE A 11 -15.995 23.459 -3.791 1.00 71.35 O ATOM 153 CB ILE A 11 -17.928 21.185 -3.970 1.00 1.50 C ATOM 154 CG1 ILE A 11 -18.462 19.779 -4.251 1.00 10.33 C ATOM 155 CG2 ILE A 11 -19.058 22.203 -4.004 1.00 1.50 C ATOM 156 CD1 ILE A 11 -19.411 19.271 -3.187 1.00 71.25 C ATOM 0 H ILE A 11 -14.972 21.075 -4.174 1.00 44.12 H new ATOM 0 HA ILE A 11 -17.224 21.385 -5.999 1.00 63.32 H new ATOM 0 HB ILE A 11 -17.487 21.193 -2.973 1.00 1.50 H new ATOM 0 HG12 ILE A 11 -18.974 19.779 -5.213 1.00 10.33 H new ATOM 0 HG13 ILE A 11 -17.622 19.090 -4.336 1.00 10.33 H new ATOM 0 HG21 ILE A 11 -19.820 21.926 -3.275 1.00 1.50 H new ATOM 0 HG22 ILE A 11 -18.666 23.190 -3.761 1.00 1.50 H new ATOM 0 HG23 ILE A 11 -19.500 22.223 -5.000 1.00 1.50 H new ATOM 0 HD11 ILE A 11 -19.750 18.269 -3.450 1.00 71.25 H new ATOM 0 HD12 ILE A 11 -18.897 19.239 -2.226 1.00 71.25 H new ATOM 0 HD13 ILE A 11 -20.270 19.938 -3.117 1.00 71.25 H new ATOM 168 N LEU A 12 -16.762 23.815 -5.877 1.00 25.40 N ATOM 169 CA LEU A 12 -16.479 25.246 -5.853 1.00 53.15 C ATOM 170 C LEU A 12 -17.738 26.043 -5.527 1.00 74.23 C ATOM 171 O LEU A 12 -18.794 25.827 -6.124 1.00 2.54 O ATOM 172 CB LEU A 12 -15.912 25.696 -7.201 1.00 51.44 C ATOM 173 CG LEU A 12 -14.388 25.688 -7.323 1.00 63.35 C ATOM 174 CD1 LEU A 12 -13.763 26.587 -6.268 1.00 22.41 C ATOM 175 CD2 LEU A 12 -13.850 24.270 -7.204 1.00 74.45 C ATOM 0 H LEU A 12 -17.175 23.481 -6.748 1.00 25.40 H new ATOM 0 HA LEU A 12 -15.740 25.433 -5.074 1.00 53.15 H new ATOM 0 HB2 LEU A 12 -16.322 25.052 -7.979 1.00 51.44 H new ATOM 0 HB3 LEU A 12 -16.268 26.706 -7.403 1.00 51.44 H new ATOM 0 HG LEU A 12 -14.120 26.075 -8.306 1.00 63.35 H new ATOM 0 HD11 LEU A 12 -12.678 26.568 -6.371 1.00 22.41 H new ATOM 0 HD12 LEU A 12 -14.123 27.607 -6.400 1.00 22.41 H new ATOM 0 HD13 LEU A 12 -14.040 26.230 -5.276 1.00 22.41 H new ATOM 0 HD21 LEU A 12 -12.764 24.284 -7.293 1.00 74.45 H new ATOM 0 HD22 LEU A 12 -14.129 23.855 -6.235 1.00 74.45 H new ATOM 0 HD23 LEU A 12 -14.271 23.653 -7.998 1.00 74.45 H new ATOM 187 N VAL A 13 -17.618 26.967 -4.579 1.00 53.33 N ATOM 188 CA VAL A 13 -18.745 27.799 -4.176 1.00 1.42 C ATOM 189 C VAL A 13 -18.356 29.273 -4.143 1.00 2.40 C ATOM 190 O VAL A 13 -17.244 29.641 -4.524 1.00 74.41 O ATOM 191 CB VAL A 13 -19.279 27.389 -2.791 1.00 21.12 C ATOM 192 CG1 VAL A 13 -19.726 25.936 -2.799 1.00 74.14 C ATOM 193 CG2 VAL A 13 -18.221 27.623 -1.723 1.00 21.33 C ATOM 0 H VAL A 13 -16.752 27.158 -4.076 1.00 53.33 H new ATOM 0 HA VAL A 13 -19.529 27.650 -4.918 1.00 1.42 H new ATOM 0 HB VAL A 13 -20.144 28.009 -2.557 1.00 21.12 H new ATOM 0 HG11 VAL A 13 -20.100 25.665 -1.812 1.00 74.14 H new ATOM 0 HG12 VAL A 13 -20.518 25.803 -3.536 1.00 74.14 H new ATOM 0 HG13 VAL A 13 -18.881 25.297 -3.055 1.00 74.14 H new ATOM 0 HG21 VAL A 13 -18.615 27.328 -0.750 1.00 21.33 H new ATOM 0 HG22 VAL A 13 -17.336 27.029 -1.951 1.00 21.33 H new ATOM 0 HG23 VAL A 13 -17.954 28.679 -1.701 1.00 21.33 H new ATOM 203 N SER A 14 -19.278 30.113 -3.682 1.00 45.14 N ATOM 204 CA SER A 14 -19.032 31.548 -3.602 1.00 25.43 C ATOM 205 C SER A 14 -18.999 32.013 -2.150 1.00 22.24 C ATOM 206 O SER A 14 -18.439 33.063 -1.833 1.00 54.43 O ATOM 207 CB SER A 14 -20.110 32.315 -4.370 1.00 45.55 C ATOM 208 OG SER A 14 -19.751 32.474 -5.732 1.00 25.24 O ATOM 0 H SER A 14 -20.201 29.824 -3.359 1.00 45.14 H new ATOM 0 HA SER A 14 -18.061 31.751 -4.053 1.00 25.43 H new ATOM 0 HB2 SER A 14 -21.059 31.783 -4.301 1.00 45.55 H new ATOM 0 HB3 SER A 14 -20.259 33.293 -3.914 1.00 45.55 H new ATOM 0 HG SER A 14 -20.457 32.966 -6.201 1.00 25.24 H new ATOM 214 N LYS A 15 -19.602 31.222 -1.268 1.00 51.13 N ATOM 215 CA LYS A 15 -19.643 31.550 0.152 1.00 25.44 C ATOM 216 C LYS A 15 -19.202 30.358 0.998 1.00 54.24 C ATOM 217 O LYS A 15 -19.352 29.207 0.588 1.00 44.52 O ATOM 218 CB LYS A 15 -21.053 31.982 0.558 1.00 45.23 C ATOM 219 CG LYS A 15 -22.039 30.831 0.652 1.00 1.10 C ATOM 220 CD LYS A 15 -23.463 31.330 0.831 1.00 23.01 C ATOM 221 CE LYS A 15 -24.058 31.802 -0.487 1.00 13.53 C ATOM 222 NZ LYS A 15 -24.827 30.724 -1.167 1.00 70.31 N ATOM 0 H LYS A 15 -20.069 30.349 -1.512 1.00 51.13 H new ATOM 0 HA LYS A 15 -18.953 32.375 0.328 1.00 25.44 H new ATOM 0 HB2 LYS A 15 -21.005 32.488 1.522 1.00 45.23 H new ATOM 0 HB3 LYS A 15 -21.424 32.709 -0.165 1.00 45.23 H new ATOM 0 HG2 LYS A 15 -21.976 30.223 -0.250 1.00 1.10 H new ATOM 0 HG3 LYS A 15 -21.770 30.188 1.490 1.00 1.10 H new ATOM 0 HD2 LYS A 15 -24.080 30.532 1.245 1.00 23.01 H new ATOM 0 HD3 LYS A 15 -23.475 32.148 1.551 1.00 23.01 H new ATOM 0 HE2 LYS A 15 -24.712 32.655 -0.305 1.00 13.53 H new ATOM 0 HE3 LYS A 15 -23.259 32.147 -1.143 1.00 13.53 H new ATOM 0 HZ1 LYS A 15 -25.722 31.111 -1.529 1.00 70.31 H new ATOM 0 HZ2 LYS A 15 -24.268 30.345 -1.958 1.00 70.31 H new ATOM 0 HZ3 LYS A 15 -25.029 29.961 -0.489 1.00 70.31 H new ATOM 236 N GLN A 16 -18.662 30.643 2.178 1.00 63.35 N ATOM 237 CA GLN A 16 -18.202 29.594 3.081 1.00 64.35 C ATOM 238 C GLN A 16 -19.375 28.771 3.602 1.00 34.12 C ATOM 239 O GLN A 16 -19.215 27.608 3.970 1.00 50.12 O ATOM 240 CB GLN A 16 -17.429 30.202 4.252 1.00 71.12 C ATOM 241 CG GLN A 16 -15.976 30.508 3.930 1.00 62.33 C ATOM 242 CD GLN A 16 -15.075 30.410 5.146 1.00 41.35 C ATOM 243 OE1 GLN A 16 -15.418 30.891 6.225 1.00 2.14 O ATOM 244 NE2 GLN A 16 -13.916 29.785 4.975 1.00 21.20 N ATOM 0 H GLN A 16 -18.532 31.591 2.531 1.00 63.35 H new ATOM 0 HA GLN A 16 -17.539 28.934 2.522 1.00 64.35 H new ATOM 0 HB2 GLN A 16 -17.924 31.121 4.565 1.00 71.12 H new ATOM 0 HB3 GLN A 16 -17.468 29.515 5.098 1.00 71.12 H new ATOM 0 HG2 GLN A 16 -15.624 29.816 3.165 1.00 62.33 H new ATOM 0 HG3 GLN A 16 -15.905 31.511 3.510 1.00 62.33 H new ATOM 0 HE21 GLN A 16 -13.673 29.401 4.062 1.00 21.20 H new ATOM 0 HE22 GLN A 16 -13.268 29.688 5.757 1.00 21.20 H new ATOM 253 N SER A 17 -20.554 29.383 3.631 1.00 53.35 N ATOM 254 CA SER A 17 -21.755 28.709 4.112 1.00 42.51 C ATOM 255 C SER A 17 -22.118 27.536 3.206 1.00 1.31 C ATOM 256 O SER A 17 -22.819 26.614 3.620 1.00 32.12 O ATOM 257 CB SER A 17 -22.924 29.693 4.184 1.00 12.41 C ATOM 258 OG SER A 17 -22.864 30.472 5.367 1.00 63.34 O ATOM 0 H SER A 17 -20.704 30.345 3.327 1.00 53.35 H new ATOM 0 HA SER A 17 -21.551 28.325 5.112 1.00 42.51 H new ATOM 0 HB2 SER A 17 -22.906 30.348 3.313 1.00 12.41 H new ATOM 0 HB3 SER A 17 -23.866 29.146 4.153 1.00 12.41 H new ATOM 0 HG SER A 17 -23.621 31.094 5.388 1.00 63.34 H new ATOM 264 N GLU A 18 -21.635 27.579 1.968 1.00 12.43 N ATOM 265 CA GLU A 18 -21.910 26.521 1.004 1.00 25.43 C ATOM 266 C GLU A 18 -20.795 25.478 1.009 1.00 10.41 C ATOM 267 O GLU A 18 -21.055 24.276 1.040 1.00 73.24 O ATOM 268 CB GLU A 18 -22.067 27.108 -0.400 1.00 54.12 C ATOM 269 CG GLU A 18 -23.412 27.777 -0.632 1.00 71.14 C ATOM 270 CD GLU A 18 -23.812 27.789 -2.095 1.00 12.32 C ATOM 271 OE1 GLU A 18 -22.921 27.965 -2.951 1.00 1.41 O ATOM 272 OE2 GLU A 18 -25.016 27.625 -2.383 1.00 32.20 O ATOM 0 H GLU A 18 -21.052 28.335 1.610 1.00 12.43 H new ATOM 0 HA GLU A 18 -22.842 26.034 1.293 1.00 25.43 H new ATOM 0 HB2 GLU A 18 -21.274 27.836 -0.571 1.00 54.12 H new ATOM 0 HB3 GLU A 18 -21.934 26.313 -1.134 1.00 54.12 H new ATOM 0 HG2 GLU A 18 -24.177 27.258 -0.054 1.00 71.14 H new ATOM 0 HG3 GLU A 18 -23.373 28.801 -0.261 1.00 71.14 H new ATOM 279 N ALA A 19 -19.552 25.949 0.979 1.00 41.35 N ATOM 280 CA ALA A 19 -18.398 25.059 0.981 1.00 43.43 C ATOM 281 C ALA A 19 -18.275 24.323 2.311 1.00 72.04 C ATOM 282 O ALA A 19 -18.130 23.099 2.343 1.00 42.41 O ATOM 283 CB ALA A 19 -17.127 25.843 0.691 1.00 64.04 C ATOM 0 H ALA A 19 -19.319 26.942 0.953 1.00 41.35 H new ATOM 0 HA ALA A 19 -18.541 24.316 0.196 1.00 43.43 H new ATOM 0 HB1 ALA A 19 -16.273 25.166 0.696 1.00 64.04 H new ATOM 0 HB2 ALA A 19 -17.208 26.319 -0.286 1.00 64.04 H new ATOM 0 HB3 ALA A 19 -16.988 26.607 1.456 1.00 64.04 H new ATOM 289 N LEU A 20 -18.334 25.073 3.405 1.00 41.43 N ATOM 290 CA LEU A 20 -18.229 24.491 4.738 1.00 20.44 C ATOM 291 C LEU A 20 -19.457 23.646 5.062 1.00 62.11 C ATOM 292 O LEU A 20 -19.469 22.900 6.041 1.00 71.42 O ATOM 293 CB LEU A 20 -18.064 25.593 5.787 1.00 71.15 C ATOM 294 CG LEU A 20 -17.392 25.179 7.096 1.00 60.35 C ATOM 295 CD1 LEU A 20 -15.881 25.314 6.988 1.00 60.23 C ATOM 296 CD2 LEU A 20 -17.922 26.013 8.254 1.00 60.34 C ATOM 0 H LEU A 20 -18.454 26.086 3.395 1.00 41.43 H new ATOM 0 HA LEU A 20 -17.351 23.846 4.757 1.00 20.44 H new ATOM 0 HB2 LEU A 20 -17.485 26.404 5.345 1.00 71.15 H new ATOM 0 HB3 LEU A 20 -19.050 25.996 6.020 1.00 71.15 H new ATOM 0 HG LEU A 20 -17.629 24.133 7.288 1.00 60.35 H new ATOM 0 HD11 LEU A 20 -15.421 25.015 7.930 1.00 60.23 H new ATOM 0 HD12 LEU A 20 -15.515 24.674 6.185 1.00 60.23 H new ATOM 0 HD13 LEU A 20 -15.623 26.351 6.771 1.00 60.23 H new ATOM 0 HD21 LEU A 20 -17.433 25.705 9.178 1.00 60.34 H new ATOM 0 HD22 LEU A 20 -17.715 27.067 8.068 1.00 60.34 H new ATOM 0 HD23 LEU A 20 -18.998 25.865 8.346 1.00 60.34 H new ATOM 308 N ALA A 21 -20.488 23.767 4.231 1.00 21.44 N ATOM 309 CA ALA A 21 -21.719 23.011 4.428 1.00 44.15 C ATOM 310 C ALA A 21 -21.542 21.557 4.005 1.00 75.11 C ATOM 311 O ALA A 21 -22.412 20.720 4.249 1.00 20.02 O ATOM 312 CB ALA A 21 -22.860 23.654 3.653 1.00 34.30 C ATOM 0 H ALA A 21 -20.495 24.381 3.416 1.00 21.44 H new ATOM 0 HA ALA A 21 -21.962 23.026 5.491 1.00 44.15 H new ATOM 0 HB1 ALA A 21 -23.774 23.080 3.808 1.00 34.30 H new ATOM 0 HB2 ALA A 21 -23.008 24.675 4.004 1.00 34.30 H new ATOM 0 HB3 ALA A 21 -22.616 23.668 2.591 1.00 34.30 H new ATOM 318 N ILE A 22 -20.414 21.263 3.369 1.00 23.32 N ATOM 319 CA ILE A 22 -20.125 19.908 2.913 1.00 5.23 C ATOM 320 C ILE A 22 -19.697 19.017 4.075 1.00 75.11 C ATOM 321 O ILE A 22 -19.784 17.792 3.994 1.00 20.20 O ATOM 322 CB ILE A 22 -19.019 19.899 1.841 1.00 10.21 C ATOM 323 CG1 ILE A 22 -19.421 20.780 0.656 1.00 21.10 C ATOM 324 CG2 ILE A 22 -18.741 18.477 1.380 1.00 71.02 C ATOM 325 CD1 ILE A 22 -20.729 20.372 0.015 1.00 12.44 C ATOM 0 H ILE A 22 -19.685 21.944 3.157 1.00 23.32 H new ATOM 0 HA ILE A 22 -21.045 19.518 2.478 1.00 5.23 H new ATOM 0 HB ILE A 22 -18.106 20.304 2.278 1.00 10.21 H new ATOM 0 HG12 ILE A 22 -19.498 21.814 0.992 1.00 21.10 H new ATOM 0 HG13 ILE A 22 -18.632 20.747 -0.095 1.00 21.10 H new ATOM 0 HG21 ILE A 22 -17.957 18.487 0.623 1.00 71.02 H new ATOM 0 HG22 ILE A 22 -18.417 17.876 2.230 1.00 71.02 H new ATOM 0 HG23 ILE A 22 -19.649 18.048 0.957 1.00 71.02 H new ATOM 0 HD11 ILE A 22 -20.950 21.040 -0.817 1.00 12.44 H new ATOM 0 HD12 ILE A 22 -20.651 19.349 -0.352 1.00 12.44 H new ATOM 0 HD13 ILE A 22 -21.530 20.433 0.752 1.00 12.44 H new ATOM 337 N MET A 23 -19.240 19.641 5.155 1.00 21.12 N ATOM 338 CA MET A 23 -18.802 18.903 6.335 1.00 35.01 C ATOM 339 C MET A 23 -19.895 18.884 7.400 1.00 63.03 C ATOM 340 O MET A 23 -19.711 18.321 8.479 1.00 53.21 O ATOM 341 CB MET A 23 -17.526 19.524 6.907 1.00 55.22 C ATOM 342 CG MET A 23 -17.671 20.996 7.258 1.00 75.44 C ATOM 343 SD MET A 23 -16.432 21.553 8.443 1.00 74.33 S ATOM 344 CE MET A 23 -14.938 21.402 7.467 1.00 60.11 C ATOM 0 H MET A 23 -19.163 20.655 5.238 1.00 21.12 H new ATOM 0 HA MET A 23 -18.594 17.876 6.035 1.00 35.01 H new ATOM 0 HB2 MET A 23 -17.233 18.973 7.801 1.00 55.22 H new ATOM 0 HB3 MET A 23 -16.720 19.409 6.183 1.00 55.22 H new ATOM 0 HG2 MET A 23 -17.592 21.592 6.349 1.00 75.44 H new ATOM 0 HG3 MET A 23 -18.665 21.171 7.669 1.00 75.44 H new ATOM 0 HE1 MET A 23 -14.082 21.728 8.058 1.00 60.11 H new ATOM 0 HE2 MET A 23 -14.800 20.362 7.172 1.00 60.11 H new ATOM 0 HE3 MET A 23 -15.021 22.024 6.576 1.00 60.11 H new ATOM 354 N GLU A 24 -21.029 19.503 7.088 1.00 13.22 N ATOM 355 CA GLU A 24 -22.149 19.557 8.021 1.00 74.01 C ATOM 356 C GLU A 24 -23.381 18.875 7.432 1.00 64.21 C ATOM 357 O GLU A 24 -24.198 18.309 8.159 1.00 72.35 O ATOM 358 CB GLU A 24 -22.478 21.009 8.374 1.00 52.44 C ATOM 359 CG GLU A 24 -23.318 21.716 7.323 1.00 3.40 C ATOM 360 CD GLU A 24 -23.369 23.218 7.531 1.00 73.13 C ATOM 361 OE1 GLU A 24 -22.616 23.725 8.387 1.00 63.25 O ATOM 362 OE2 GLU A 24 -24.165 23.884 6.835 1.00 4.10 O ATOM 0 H GLU A 24 -21.197 19.973 6.199 1.00 13.22 H new ATOM 0 HA GLU A 24 -21.859 19.026 8.928 1.00 74.01 H new ATOM 0 HB2 GLU A 24 -23.008 21.031 9.326 1.00 52.44 H new ATOM 0 HB3 GLU A 24 -21.548 21.560 8.514 1.00 52.44 H new ATOM 0 HG2 GLU A 24 -22.911 21.503 6.334 1.00 3.40 H new ATOM 0 HG3 GLU A 24 -24.332 21.315 7.343 1.00 3.40 H new ATOM 369 N LYS A 25 -23.506 18.932 6.110 1.00 21.31 N ATOM 370 CA LYS A 25 -24.636 18.319 5.422 1.00 23.21 C ATOM 371 C LYS A 25 -24.547 16.797 5.477 1.00 0.22 C ATOM 372 O LYS A 25 -25.430 16.133 6.020 1.00 74.43 O ATOM 373 CB LYS A 25 -24.685 18.785 3.965 1.00 14.34 C ATOM 374 CG LYS A 25 -26.009 18.495 3.278 1.00 12.34 C ATOM 375 CD LYS A 25 -26.344 19.556 2.243 1.00 61.24 C ATOM 376 CE LYS A 25 -26.951 20.792 2.888 1.00 12.51 C ATOM 377 NZ LYS A 25 -25.915 21.801 3.240 1.00 63.05 N ATOM 0 H LYS A 25 -22.839 19.396 5.494 1.00 21.31 H new ATOM 0 HA LYS A 25 -25.550 18.630 5.928 1.00 23.21 H new ATOM 0 HB2 LYS A 25 -24.494 19.857 3.929 1.00 14.34 H new ATOM 0 HB3 LYS A 25 -23.883 18.299 3.410 1.00 14.34 H new ATOM 0 HG2 LYS A 25 -25.964 17.518 2.797 1.00 12.34 H new ATOM 0 HG3 LYS A 25 -26.804 18.448 4.023 1.00 12.34 H new ATOM 0 HD2 LYS A 25 -25.441 19.834 1.700 1.00 61.24 H new ATOM 0 HD3 LYS A 25 -27.041 19.146 1.513 1.00 61.24 H new ATOM 0 HE2 LYS A 25 -27.675 21.238 2.207 1.00 12.51 H new ATOM 0 HE3 LYS A 25 -27.495 20.502 3.787 1.00 12.51 H new ATOM 0 HZ1 LYS A 25 -26.302 22.757 3.106 1.00 63.05 H new ATOM 0 HZ2 LYS A 25 -25.634 21.678 4.234 1.00 63.05 H new ATOM 0 HZ3 LYS A 25 -25.085 21.674 2.627 1.00 63.05 H new ATOM 391 N LEU A 26 -23.474 16.251 4.915 1.00 42.53 N ATOM 392 CA LEU A 26 -23.269 14.807 4.901 1.00 3.53 C ATOM 393 C LEU A 26 -23.302 14.240 6.316 1.00 31.14 C ATOM 394 O LEU A 26 -23.610 13.064 6.519 1.00 51.11 O ATOM 395 CB LEU A 26 -21.934 14.469 4.236 1.00 71.12 C ATOM 396 CG LEU A 26 -21.672 15.130 2.882 1.00 73.15 C ATOM 397 CD1 LEU A 26 -20.286 14.769 2.371 1.00 23.20 C ATOM 398 CD2 LEU A 26 -22.737 14.722 1.874 1.00 24.14 C ATOM 0 H LEU A 26 -22.733 16.786 4.463 1.00 42.53 H new ATOM 0 HA LEU A 26 -24.079 14.355 4.328 1.00 3.53 H new ATOM 0 HB2 LEU A 26 -21.130 14.750 4.917 1.00 71.12 H new ATOM 0 HB3 LEU A 26 -21.879 13.388 4.107 1.00 71.12 H new ATOM 0 HG LEU A 26 -21.719 16.211 3.012 1.00 73.15 H new ATOM 0 HD11 LEU A 26 -20.117 15.248 1.407 1.00 23.20 H new ATOM 0 HD12 LEU A 26 -19.535 15.112 3.083 1.00 23.20 H new ATOM 0 HD13 LEU A 26 -20.211 13.688 2.257 1.00 23.20 H new ATOM 0 HD21 LEU A 26 -22.535 15.202 0.916 1.00 24.14 H new ATOM 0 HD22 LEU A 26 -22.723 13.639 1.748 1.00 24.14 H new ATOM 0 HD23 LEU A 26 -23.718 15.032 2.235 1.00 24.14 H new ATOM 410 N LYS A 27 -22.987 15.082 7.294 1.00 3.23 N ATOM 411 CA LYS A 27 -22.983 14.666 8.692 1.00 75.04 C ATOM 412 C LYS A 27 -24.324 14.050 9.079 1.00 53.21 C ATOM 413 O LYS A 27 -24.398 13.217 9.983 1.00 63.14 O ATOM 414 CB LYS A 27 -22.678 15.859 9.600 1.00 3.40 C ATOM 415 CG LYS A 27 -22.259 15.463 11.005 1.00 64.02 C ATOM 416 CD LYS A 27 -23.454 15.383 11.940 1.00 2.13 C ATOM 417 CE LYS A 27 -23.739 16.725 12.596 1.00 55.54 C ATOM 418 NZ LYS A 27 -22.720 17.067 13.627 1.00 15.33 N ATOM 0 H LYS A 27 -22.731 16.058 7.144 1.00 3.23 H new ATOM 0 HA LYS A 27 -22.206 13.913 8.819 1.00 75.04 H new ATOM 0 HB2 LYS A 27 -21.885 16.455 9.148 1.00 3.40 H new ATOM 0 HB3 LYS A 27 -23.561 16.495 9.659 1.00 3.40 H new ATOM 0 HG2 LYS A 27 -21.753 14.498 10.977 1.00 64.02 H new ATOM 0 HG3 LYS A 27 -21.542 16.188 11.390 1.00 64.02 H new ATOM 0 HD2 LYS A 27 -24.332 15.055 11.383 1.00 2.13 H new ATOM 0 HD3 LYS A 27 -23.266 14.634 12.709 1.00 2.13 H new ATOM 0 HE2 LYS A 27 -23.760 17.504 11.834 1.00 55.54 H new ATOM 0 HE3 LYS A 27 -24.727 16.702 13.056 1.00 55.54 H new ATOM 0 HZ1 LYS A 27 -23.074 17.844 14.221 1.00 15.33 H new ATOM 0 HZ2 LYS A 27 -22.534 16.234 14.221 1.00 15.33 H new ATOM 0 HZ3 LYS A 27 -21.839 17.363 13.160 1.00 15.33 H new ATOM 432 N SER A 28 -25.382 14.464 8.389 1.00 60.14 N ATOM 433 CA SER A 28 -26.721 13.954 8.662 1.00 4.11 C ATOM 434 C SER A 28 -26.965 12.643 7.920 1.00 22.00 C ATOM 435 O SER A 28 -27.754 11.807 8.356 1.00 15.52 O ATOM 436 CB SER A 28 -27.775 14.985 8.258 1.00 51.55 C ATOM 437 OG SER A 28 -28.078 15.855 9.335 1.00 1.20 O ATOM 0 H SER A 28 -25.338 15.151 7.637 1.00 60.14 H new ATOM 0 HA SER A 28 -26.799 13.766 9.733 1.00 4.11 H new ATOM 0 HB2 SER A 28 -27.414 15.565 7.409 1.00 51.55 H new ATOM 0 HB3 SER A 28 -28.682 14.474 7.933 1.00 51.55 H new ATOM 0 HG SER A 28 -28.753 16.506 9.050 1.00 1.20 H new ATOM 443 N GLY A 29 -26.278 12.471 6.794 1.00 52.42 N ATOM 444 CA GLY A 29 -26.434 11.261 6.008 1.00 22.41 C ATOM 445 C GLY A 29 -26.795 11.549 4.565 1.00 22.00 C ATOM 446 O GLY A 29 -27.567 10.812 3.953 1.00 62.03 O ATOM 0 H GLY A 29 -25.617 13.148 6.413 1.00 52.42 H new ATOM 0 HA2 GLY A 29 -25.507 10.689 6.040 1.00 22.41 H new ATOM 0 HA3 GLY A 29 -27.209 10.638 6.456 1.00 22.41 H new ATOM 450 N GLU A 30 -26.236 12.625 4.020 1.00 62.12 N ATOM 451 CA GLU A 30 -26.505 13.010 2.640 1.00 33.22 C ATOM 452 C GLU A 30 -25.425 12.475 1.704 1.00 22.33 C ATOM 453 O GLU A 30 -24.610 11.638 2.093 1.00 4.30 O ATOM 454 CB GLU A 30 -26.593 14.532 2.518 1.00 4.34 C ATOM 455 CG GLU A 30 -27.324 15.194 3.675 1.00 40.13 C ATOM 456 CD GLU A 30 -28.763 14.731 3.796 1.00 43.22 C ATOM 457 OE1 GLU A 30 -29.544 14.969 2.851 1.00 41.53 O ATOM 458 OE2 GLU A 30 -29.109 14.131 4.835 1.00 4.42 O ATOM 0 H GLU A 30 -25.594 13.245 4.513 1.00 62.12 H new ATOM 0 HA GLU A 30 -27.461 12.574 2.350 1.00 33.22 H new ATOM 0 HB2 GLU A 30 -25.585 14.942 2.454 1.00 4.34 H new ATOM 0 HB3 GLU A 30 -27.100 14.785 1.587 1.00 4.34 H new ATOM 0 HG2 GLU A 30 -26.797 14.978 4.604 1.00 40.13 H new ATOM 0 HG3 GLU A 30 -27.304 16.276 3.542 1.00 40.13 H new ATOM 465 N LYS A 31 -25.425 12.965 0.469 1.00 24.21 N ATOM 466 CA LYS A 31 -24.444 12.538 -0.523 1.00 73.13 C ATOM 467 C LYS A 31 -23.623 13.723 -1.020 1.00 24.14 C ATOM 468 O LYS A 31 -24.157 14.808 -1.252 1.00 73.42 O ATOM 469 CB LYS A 31 -25.144 11.859 -1.702 1.00 32.02 C ATOM 470 CG LYS A 31 -24.249 10.905 -2.474 1.00 50.22 C ATOM 471 CD LYS A 31 -24.539 9.457 -2.118 1.00 63.03 C ATOM 472 CE LYS A 31 -23.928 9.080 -0.777 1.00 14.22 C ATOM 473 NZ LYS A 31 -24.916 9.193 0.333 1.00 1.52 N ATOM 0 H LYS A 31 -26.093 13.658 0.131 1.00 24.21 H new ATOM 0 HA LYS A 31 -23.770 11.825 -0.048 1.00 73.13 H new ATOM 0 HB2 LYS A 31 -26.011 11.311 -1.332 1.00 32.02 H new ATOM 0 HB3 LYS A 31 -25.517 12.625 -2.382 1.00 32.02 H new ATOM 0 HG2 LYS A 31 -24.395 11.054 -3.544 1.00 50.22 H new ATOM 0 HG3 LYS A 31 -23.204 11.131 -2.260 1.00 50.22 H new ATOM 0 HD2 LYS A 31 -25.617 9.298 -2.086 1.00 63.03 H new ATOM 0 HD3 LYS A 31 -24.144 8.804 -2.896 1.00 63.03 H new ATOM 0 HE2 LYS A 31 -23.550 8.059 -0.824 1.00 14.22 H new ATOM 0 HE3 LYS A 31 -23.075 9.727 -0.572 1.00 14.22 H new ATOM 0 HZ1 LYS A 31 -24.663 9.996 0.943 1.00 1.52 H new ATOM 0 HZ2 LYS A 31 -25.866 9.344 -0.062 1.00 1.52 H new ATOM 0 HZ3 LYS A 31 -24.910 8.317 0.894 1.00 1.52 H new ATOM 487 N PHE A 32 -22.322 13.508 -1.182 1.00 3.23 N ATOM 488 CA PHE A 32 -21.426 14.559 -1.652 1.00 34.12 C ATOM 489 C PHE A 32 -21.853 15.062 -3.028 1.00 51.24 C ATOM 490 O PHE A 32 -21.961 16.267 -3.254 1.00 64.05 O ATOM 491 CB PHE A 32 -19.986 14.044 -1.709 1.00 72.11 C ATOM 492 CG PHE A 32 -18.988 15.097 -2.098 1.00 61.11 C ATOM 493 CD1 PHE A 32 -18.818 15.454 -3.425 1.00 73.14 C ATOM 494 CD2 PHE A 32 -18.218 15.728 -1.134 1.00 44.45 C ATOM 495 CE1 PHE A 32 -17.901 16.423 -3.786 1.00 22.22 C ATOM 496 CE2 PHE A 32 -17.299 16.698 -1.489 1.00 1.21 C ATOM 497 CZ PHE A 32 -17.140 17.044 -2.817 1.00 1.53 C ATOM 0 H PHE A 32 -21.864 12.616 -0.995 1.00 3.23 H new ATOM 0 HA PHE A 32 -21.480 15.389 -0.948 1.00 34.12 H new ATOM 0 HB2 PHE A 32 -19.714 13.640 -0.734 1.00 72.11 H new ATOM 0 HB3 PHE A 32 -19.931 13.221 -2.422 1.00 72.11 H new ATOM 0 HD1 PHE A 32 -19.409 14.969 -4.188 1.00 73.14 H new ATOM 0 HD2 PHE A 32 -18.337 15.459 -0.095 1.00 44.45 H new ATOM 0 HE1 PHE A 32 -17.780 16.694 -4.825 1.00 22.22 H new ATOM 0 HE2 PHE A 32 -16.706 17.185 -0.729 1.00 1.21 H new ATOM 0 HZ PHE A 32 -16.421 17.800 -3.096 1.00 1.53 H new ATOM 507 N GLY A 33 -22.095 14.129 -3.944 1.00 43.45 N ATOM 508 CA GLY A 33 -22.506 14.497 -5.286 1.00 61.02 C ATOM 509 C GLY A 33 -23.778 15.322 -5.297 1.00 72.23 C ATOM 510 O GLY A 33 -23.944 16.208 -6.135 1.00 74.42 O ATOM 0 H GLY A 33 -22.014 13.125 -3.781 1.00 43.45 H new ATOM 0 HA2 GLY A 33 -21.706 15.061 -5.766 1.00 61.02 H new ATOM 0 HA3 GLY A 33 -22.657 13.594 -5.877 1.00 61.02 H new ATOM 514 N LYS A 34 -24.679 15.029 -4.366 1.00 2.52 N ATOM 515 CA LYS A 34 -25.943 15.750 -4.270 1.00 62.24 C ATOM 516 C LYS A 34 -25.704 17.240 -4.042 1.00 74.34 C ATOM 517 O LYS A 34 -26.574 18.067 -4.318 1.00 53.12 O ATOM 518 CB LYS A 34 -26.794 15.179 -3.134 1.00 73.02 C ATOM 519 CG LYS A 34 -27.801 14.139 -3.593 1.00 33.30 C ATOM 520 CD LYS A 34 -28.488 13.470 -2.414 1.00 73.44 C ATOM 521 CE LYS A 34 -29.780 14.184 -2.043 1.00 65.03 C ATOM 522 NZ LYS A 34 -30.913 13.769 -2.914 1.00 51.15 N ATOM 0 H LYS A 34 -24.558 14.297 -3.666 1.00 2.52 H new ATOM 0 HA LYS A 34 -26.476 15.626 -5.213 1.00 62.24 H new ATOM 0 HB2 LYS A 34 -26.137 14.732 -2.388 1.00 73.02 H new ATOM 0 HB3 LYS A 34 -27.325 15.995 -2.643 1.00 73.02 H new ATOM 0 HG2 LYS A 34 -28.548 14.611 -4.231 1.00 33.30 H new ATOM 0 HG3 LYS A 34 -27.297 13.385 -4.197 1.00 33.30 H new ATOM 0 HD2 LYS A 34 -28.703 12.430 -2.659 1.00 73.44 H new ATOM 0 HD3 LYS A 34 -27.816 13.463 -1.556 1.00 73.44 H new ATOM 0 HE2 LYS A 34 -30.026 13.973 -1.002 1.00 65.03 H new ATOM 0 HE3 LYS A 34 -29.636 15.261 -2.124 1.00 65.03 H new ATOM 0 HZ1 LYS A 34 -31.774 14.278 -2.629 1.00 51.15 H new ATOM 0 HZ2 LYS A 34 -30.690 13.994 -3.905 1.00 51.15 H new ATOM 0 HZ3 LYS A 34 -31.068 12.745 -2.818 1.00 51.15 H new ATOM 536 N LEU A 35 -24.522 17.574 -3.539 1.00 41.52 N ATOM 537 CA LEU A 35 -24.168 18.965 -3.275 1.00 73.13 C ATOM 538 C LEU A 35 -23.204 19.492 -4.333 1.00 74.22 C ATOM 539 O LEU A 35 -23.109 20.698 -4.554 1.00 41.25 O ATOM 540 CB LEU A 35 -23.542 19.098 -1.886 1.00 65.22 C ATOM 541 CG LEU A 35 -24.140 18.213 -0.792 1.00 31.13 C ATOM 542 CD1 LEU A 35 -23.456 18.476 0.541 1.00 62.02 C ATOM 543 CD2 LEU A 35 -25.640 18.447 -0.679 1.00 1.50 C ATOM 0 H LEU A 35 -23.792 16.901 -3.305 1.00 41.52 H new ATOM 0 HA LEU A 35 -25.081 19.560 -3.313 1.00 73.13 H new ATOM 0 HB2 LEU A 35 -22.478 18.873 -1.966 1.00 65.22 H new ATOM 0 HB3 LEU A 35 -23.625 20.138 -1.570 1.00 65.22 H new ATOM 0 HG LEU A 35 -23.974 17.170 -1.063 1.00 31.13 H new ATOM 0 HD11 LEU A 35 -23.895 17.837 1.307 1.00 62.02 H new ATOM 0 HD12 LEU A 35 -22.392 18.258 0.453 1.00 62.02 H new ATOM 0 HD13 LEU A 35 -23.591 19.521 0.819 1.00 62.02 H new ATOM 0 HD21 LEU A 35 -26.050 17.809 0.104 1.00 1.50 H new ATOM 0 HD22 LEU A 35 -25.828 19.492 -0.431 1.00 1.50 H new ATOM 0 HD23 LEU A 35 -26.118 18.208 -1.629 1.00 1.50 H new ATOM 555 N ALA A 36 -22.493 18.578 -4.985 1.00 65.31 N ATOM 556 CA ALA A 36 -21.539 18.950 -6.024 1.00 33.14 C ATOM 557 C ALA A 36 -22.250 19.265 -7.335 1.00 71.23 C ATOM 558 O ALA A 36 -21.705 19.951 -8.200 1.00 70.02 O ATOM 559 CB ALA A 36 -20.520 17.838 -6.227 1.00 42.21 C ATOM 0 H ALA A 36 -22.559 17.575 -4.813 1.00 65.31 H new ATOM 0 HA ALA A 36 -21.018 19.850 -5.699 1.00 33.14 H new ATOM 0 HB1 ALA A 36 -19.814 18.129 -7.005 1.00 42.21 H new ATOM 0 HB2 ALA A 36 -19.982 17.663 -5.295 1.00 42.21 H new ATOM 0 HB3 ALA A 36 -21.033 16.924 -6.526 1.00 42.21 H new ATOM 565 N LYS A 37 -23.471 18.758 -7.477 1.00 44.21 N ATOM 566 CA LYS A 37 -24.258 18.985 -8.683 1.00 44.52 C ATOM 567 C LYS A 37 -24.995 20.319 -8.608 1.00 53.13 C ATOM 568 O LYS A 37 -25.750 20.671 -9.513 1.00 54.44 O ATOM 569 CB LYS A 37 -25.261 17.846 -8.885 1.00 5.53 C ATOM 570 CG LYS A 37 -25.915 17.848 -10.254 1.00 51.53 C ATOM 571 CD LYS A 37 -27.379 18.250 -10.172 1.00 71.05 C ATOM 572 CE LYS A 37 -27.822 19.004 -11.416 1.00 64.42 C ATOM 573 NZ LYS A 37 -29.302 19.157 -11.476 1.00 23.13 N ATOM 0 H LYS A 37 -23.936 18.187 -6.771 1.00 44.21 H new ATOM 0 HA LYS A 37 -23.575 19.014 -9.532 1.00 44.52 H new ATOM 0 HB2 LYS A 37 -24.752 16.894 -8.736 1.00 5.53 H new ATOM 0 HB3 LYS A 37 -26.036 17.916 -8.121 1.00 5.53 H new ATOM 0 HG2 LYS A 37 -25.384 18.537 -10.911 1.00 51.53 H new ATOM 0 HG3 LYS A 37 -25.833 16.856 -10.699 1.00 51.53 H new ATOM 0 HD2 LYS A 37 -27.995 17.360 -10.047 1.00 71.05 H new ATOM 0 HD3 LYS A 37 -27.537 18.874 -9.292 1.00 71.05 H new ATOM 0 HE2 LYS A 37 -27.355 19.989 -11.429 1.00 64.42 H new ATOM 0 HE3 LYS A 37 -27.476 18.475 -12.304 1.00 64.42 H new ATOM 0 HZ1 LYS A 37 -29.563 19.676 -12.339 1.00 23.13 H new ATOM 0 HZ2 LYS A 37 -29.748 18.218 -11.489 1.00 23.13 H new ATOM 0 HZ3 LYS A 37 -29.631 19.684 -10.642 1.00 23.13 H new ATOM 587 N GLU A 38 -24.769 21.056 -7.525 1.00 21.21 N ATOM 588 CA GLU A 38 -25.412 22.350 -7.335 1.00 2.23 C ATOM 589 C GLU A 38 -24.410 23.387 -6.836 1.00 3.21 C ATOM 590 O GLU A 38 -24.217 24.432 -7.460 1.00 73.12 O ATOM 591 CB GLU A 38 -26.571 22.227 -6.344 1.00 11.11 C ATOM 592 CG GLU A 38 -27.490 21.050 -6.624 1.00 50.44 C ATOM 593 CD GLU A 38 -28.948 21.372 -6.358 1.00 62.23 C ATOM 594 OE1 GLU A 38 -29.325 21.481 -5.173 1.00 41.12 O ATOM 595 OE2 GLU A 38 -29.711 21.513 -7.336 1.00 52.55 O ATOM 0 H GLU A 38 -24.146 20.779 -6.767 1.00 21.21 H new ATOM 0 HA GLU A 38 -25.800 22.679 -8.299 1.00 2.23 H new ATOM 0 HB2 GLU A 38 -26.167 22.130 -5.336 1.00 11.11 H new ATOM 0 HB3 GLU A 38 -27.156 23.147 -6.366 1.00 11.11 H new ATOM 0 HG2 GLU A 38 -27.374 20.742 -7.663 1.00 50.44 H new ATOM 0 HG3 GLU A 38 -27.190 20.204 -6.005 1.00 50.44 H new ATOM 602 N LEU A 39 -23.774 23.093 -5.708 1.00 30.44 N ATOM 603 CA LEU A 39 -22.791 23.999 -5.123 1.00 34.20 C ATOM 604 C LEU A 39 -21.654 24.272 -6.102 1.00 12.33 C ATOM 605 O LEU A 39 -21.338 25.425 -6.395 1.00 3.21 O ATOM 606 CB LEU A 39 -22.233 23.410 -3.827 1.00 72.11 C ATOM 607 CG LEU A 39 -23.254 23.127 -2.724 1.00 21.02 C ATOM 608 CD1 LEU A 39 -22.575 22.500 -1.516 1.00 22.24 C ATOM 609 CD2 LEU A 39 -23.978 24.405 -2.327 1.00 12.23 C ATOM 0 H LEU A 39 -23.921 22.233 -5.179 1.00 30.44 H new ATOM 0 HA LEU A 39 -23.289 24.942 -4.900 1.00 34.20 H new ATOM 0 HB2 LEU A 39 -21.719 22.479 -4.066 1.00 72.11 H new ATOM 0 HB3 LEU A 39 -21.483 24.096 -3.433 1.00 72.11 H new ATOM 0 HG LEU A 39 -23.990 22.421 -3.109 1.00 21.02 H new ATOM 0 HD11 LEU A 39 -23.317 22.306 -0.742 1.00 22.24 H new ATOM 0 HD12 LEU A 39 -22.103 21.562 -1.810 1.00 22.24 H new ATOM 0 HD13 LEU A 39 -21.817 23.182 -1.130 1.00 22.24 H new ATOM 0 HD21 LEU A 39 -24.701 24.185 -1.541 1.00 12.23 H new ATOM 0 HD22 LEU A 39 -23.255 25.134 -1.961 1.00 12.23 H new ATOM 0 HD23 LEU A 39 -24.498 24.813 -3.194 1.00 12.23 H new ATOM 621 N SER A 40 -21.044 23.204 -6.606 1.00 1.22 N ATOM 622 CA SER A 40 -19.941 23.330 -7.551 1.00 25.14 C ATOM 623 C SER A 40 -20.311 24.263 -8.699 1.00 53.12 C ATOM 624 O SER A 40 -21.062 23.889 -9.600 1.00 33.11 O ATOM 625 CB SER A 40 -19.553 21.956 -8.101 1.00 51.12 C ATOM 626 OG SER A 40 -19.600 20.969 -7.085 1.00 24.31 O ATOM 0 H SER A 40 -21.295 22.242 -6.376 1.00 1.22 H new ATOM 0 HA SER A 40 -19.089 23.756 -7.021 1.00 25.14 H new ATOM 0 HB2 SER A 40 -20.228 21.681 -8.911 1.00 51.12 H new ATOM 0 HB3 SER A 40 -18.549 22.000 -8.524 1.00 51.12 H new ATOM 0 HG SER A 40 -19.063 20.195 -7.355 1.00 24.31 H new ATOM 632 N ILE A 41 -19.780 25.481 -8.659 1.00 61.33 N ATOM 633 CA ILE A 41 -20.054 26.468 -9.696 1.00 63.34 C ATOM 634 C ILE A 41 -19.273 26.159 -10.969 1.00 63.01 C ATOM 635 O ILE A 41 -19.644 26.595 -12.058 1.00 53.13 O ATOM 636 CB ILE A 41 -19.704 27.892 -9.225 1.00 21.44 C ATOM 637 CG1 ILE A 41 -18.259 27.945 -8.725 1.00 42.33 C ATOM 638 CG2 ILE A 41 -20.664 28.339 -8.133 1.00 12.22 C ATOM 639 CD1 ILE A 41 -17.537 29.222 -9.099 1.00 34.42 C ATOM 0 H ILE A 41 -19.158 25.808 -7.920 1.00 61.33 H new ATOM 0 HA ILE A 41 -21.122 26.416 -9.906 1.00 63.34 H new ATOM 0 HB ILE A 41 -19.802 28.574 -10.070 1.00 21.44 H new ATOM 0 HG12 ILE A 41 -18.254 27.839 -7.640 1.00 42.33 H new ATOM 0 HG13 ILE A 41 -17.711 27.095 -9.131 1.00 42.33 H new ATOM 0 HG21 ILE A 41 -20.404 29.347 -7.810 1.00 12.22 H new ATOM 0 HG22 ILE A 41 -21.683 28.333 -8.520 1.00 12.22 H new ATOM 0 HG23 ILE A 41 -20.594 27.657 -7.285 1.00 12.22 H new ATOM 0 HD11 ILE A 41 -16.518 29.191 -8.712 1.00 34.42 H new ATOM 0 HD12 ILE A 41 -17.510 29.320 -10.184 1.00 34.42 H new ATOM 0 HD13 ILE A 41 -18.062 30.076 -8.670 1.00 34.42 H new ATOM 651 N ASP A 42 -18.190 25.403 -10.824 1.00 44.31 N ATOM 652 CA ASP A 42 -17.357 25.033 -11.962 1.00 51.12 C ATOM 653 C ASP A 42 -18.146 24.194 -12.962 1.00 62.43 C ATOM 654 O ASP A 42 -18.512 23.053 -12.677 1.00 74.11 O ATOM 655 CB ASP A 42 -16.124 24.262 -11.490 1.00 30.30 C ATOM 656 CG ASP A 42 -15.272 23.771 -12.643 1.00 25.33 C ATOM 657 OD1 ASP A 42 -15.043 24.555 -13.588 1.00 54.41 O ATOM 658 OD2 ASP A 42 -14.833 22.602 -12.601 1.00 43.54 O ATOM 0 H ASP A 42 -17.869 25.034 -9.929 1.00 44.31 H new ATOM 0 HA ASP A 42 -17.034 25.949 -12.458 1.00 51.12 H new ATOM 0 HB2 ASP A 42 -15.523 24.903 -10.845 1.00 30.30 H new ATOM 0 HB3 ASP A 42 -16.440 23.411 -10.887 1.00 30.30 H new ATOM 663 N SER A 43 -18.404 24.765 -14.134 1.00 22.12 N ATOM 664 CA SER A 43 -19.153 24.070 -15.175 1.00 14.23 C ATOM 665 C SER A 43 -18.562 22.689 -15.440 1.00 11.30 C ATOM 666 O SER A 43 -19.276 21.753 -15.796 1.00 53.15 O ATOM 667 CB SER A 43 -19.158 24.892 -16.464 1.00 44.51 C ATOM 668 OG SER A 43 -17.952 25.626 -16.606 1.00 54.24 O ATOM 0 H SER A 43 -18.106 25.707 -14.387 1.00 22.12 H new ATOM 0 HA SER A 43 -20.179 23.946 -14.828 1.00 14.23 H new ATOM 0 HB2 SER A 43 -19.288 24.230 -17.320 1.00 44.51 H new ATOM 0 HB3 SER A 43 -20.006 25.577 -16.459 1.00 44.51 H new ATOM 0 HG SER A 43 -17.979 26.142 -17.439 1.00 54.24 H new ATOM 674 N GLY A 44 -17.249 22.571 -15.265 1.00 4.33 N ATOM 675 CA GLY A 44 -16.582 21.301 -15.490 1.00 51.44 C ATOM 676 C GLY A 44 -16.462 20.477 -14.225 1.00 32.14 C ATOM 677 O GLY A 44 -15.407 19.911 -13.942 1.00 64.32 O ATOM 0 H GLY A 44 -16.636 23.331 -14.972 1.00 4.33 H new ATOM 0 HA2 GLY A 44 -17.133 20.733 -16.239 1.00 51.44 H new ATOM 0 HA3 GLY A 44 -15.587 21.484 -15.897 1.00 51.44 H new ATOM 681 N SER A 45 -17.547 20.411 -13.458 1.00 31.31 N ATOM 682 CA SER A 45 -17.557 19.654 -12.212 1.00 73.24 C ATOM 683 C SER A 45 -18.983 19.297 -11.804 1.00 72.34 C ATOM 684 O SER A 45 -19.269 18.159 -11.435 1.00 74.45 O ATOM 685 CB SER A 45 -16.882 20.455 -11.098 1.00 51.42 C ATOM 686 OG SER A 45 -17.754 21.447 -10.583 1.00 44.43 O ATOM 0 H SER A 45 -18.430 20.873 -13.678 1.00 31.31 H new ATOM 0 HA SER A 45 -17.002 18.730 -12.373 1.00 73.24 H new ATOM 0 HB2 SER A 45 -16.577 19.783 -10.296 1.00 51.42 H new ATOM 0 HB3 SER A 45 -15.977 20.926 -11.481 1.00 51.42 H new ATOM 0 HG SER A 45 -18.042 22.039 -11.309 1.00 44.43 H new ATOM 692 N ALA A 46 -19.875 20.279 -11.876 1.00 1.53 N ATOM 693 CA ALA A 46 -21.273 20.071 -11.516 1.00 64.33 C ATOM 694 C ALA A 46 -21.904 18.982 -12.378 1.00 23.44 C ATOM 695 O ALA A 46 -22.937 18.415 -12.021 1.00 63.33 O ATOM 696 CB ALA A 46 -22.052 21.370 -11.650 1.00 52.45 C ATOM 0 H ALA A 46 -19.655 21.227 -12.180 1.00 1.53 H new ATOM 0 HA ALA A 46 -21.311 19.744 -10.477 1.00 64.33 H new ATOM 0 HB1 ALA A 46 -23.094 21.199 -11.378 1.00 52.45 H new ATOM 0 HB2 ALA A 46 -21.623 22.122 -10.988 1.00 52.45 H new ATOM 0 HB3 ALA A 46 -21.999 21.721 -12.680 1.00 52.45 H new ATOM 702 N LYS A 47 -21.276 18.694 -13.514 1.00 32.04 N ATOM 703 CA LYS A 47 -21.776 17.673 -14.426 1.00 5.34 C ATOM 704 C LYS A 47 -21.306 16.285 -14.000 1.00 11.43 C ATOM 705 O LYS A 47 -21.901 15.275 -14.372 1.00 50.44 O ATOM 706 CB LYS A 47 -21.310 17.964 -15.854 1.00 43.54 C ATOM 707 CG LYS A 47 -22.198 18.949 -16.595 1.00 33.03 C ATOM 708 CD LYS A 47 -21.760 19.116 -18.041 1.00 32.04 C ATOM 709 CE LYS A 47 -22.344 20.377 -18.658 1.00 10.23 C ATOM 710 NZ LYS A 47 -23.830 20.409 -18.554 1.00 44.25 N ATOM 0 H LYS A 47 -20.420 19.154 -13.824 1.00 32.04 H new ATOM 0 HA LYS A 47 -22.865 17.694 -14.394 1.00 5.34 H new ATOM 0 HB2 LYS A 47 -20.294 18.356 -15.823 1.00 43.54 H new ATOM 0 HB3 LYS A 47 -21.274 17.029 -16.413 1.00 43.54 H new ATOM 0 HG2 LYS A 47 -23.231 18.603 -16.564 1.00 33.03 H new ATOM 0 HG3 LYS A 47 -22.170 19.915 -16.092 1.00 33.03 H new ATOM 0 HD2 LYS A 47 -20.672 19.156 -18.090 1.00 32.04 H new ATOM 0 HD3 LYS A 47 -22.074 18.247 -18.620 1.00 32.04 H new ATOM 0 HE2 LYS A 47 -21.926 21.252 -18.160 1.00 10.23 H new ATOM 0 HE3 LYS A 47 -22.052 20.437 -19.706 1.00 10.23 H new ATOM 0 HZ1 LYS A 47 -24.204 21.170 -19.156 1.00 44.25 H new ATOM 0 HZ2 LYS A 47 -24.220 19.497 -18.867 1.00 44.25 H new ATOM 0 HZ3 LYS A 47 -24.105 20.582 -17.566 1.00 44.25 H new ATOM 724 N LYS A 48 -20.235 16.244 -13.214 1.00 44.43 N ATOM 725 CA LYS A 48 -19.685 14.982 -12.734 1.00 14.33 C ATOM 726 C LYS A 48 -19.725 14.916 -11.210 1.00 72.23 C ATOM 727 O LYS A 48 -18.922 14.222 -10.589 1.00 1.21 O ATOM 728 CB LYS A 48 -18.247 14.808 -13.226 1.00 34.23 C ATOM 729 CG LYS A 48 -17.418 16.078 -13.143 1.00 52.11 C ATOM 730 CD LYS A 48 -17.523 16.895 -14.420 1.00 43.15 C ATOM 731 CE LYS A 48 -16.383 16.582 -15.377 1.00 5.34 C ATOM 732 NZ LYS A 48 -16.626 15.325 -16.137 1.00 72.41 N ATOM 0 H LYS A 48 -19.730 17.071 -12.896 1.00 44.43 H new ATOM 0 HA LYS A 48 -20.298 14.173 -13.131 1.00 14.33 H new ATOM 0 HB2 LYS A 48 -17.762 14.029 -12.638 1.00 34.23 H new ATOM 0 HB3 LYS A 48 -18.265 14.463 -14.260 1.00 34.23 H new ATOM 0 HG2 LYS A 48 -17.753 16.678 -12.297 1.00 52.11 H new ATOM 0 HG3 LYS A 48 -16.375 15.822 -12.958 1.00 52.11 H new ATOM 0 HD2 LYS A 48 -18.476 16.689 -14.908 1.00 43.15 H new ATOM 0 HD3 LYS A 48 -17.513 17.957 -14.176 1.00 43.15 H new ATOM 0 HE2 LYS A 48 -16.257 17.410 -16.075 1.00 5.34 H new ATOM 0 HE3 LYS A 48 -15.452 16.493 -14.817 1.00 5.34 H new ATOM 0 HZ1 LYS A 48 -15.950 15.259 -16.924 1.00 72.41 H new ATOM 0 HZ2 LYS A 48 -16.502 14.508 -15.505 1.00 72.41 H new ATOM 0 HZ3 LYS A 48 -17.596 15.328 -16.513 1.00 72.41 H new ATOM 746 N ASN A 49 -20.667 15.641 -10.615 1.00 62.05 N ATOM 747 CA ASN A 49 -20.812 15.664 -9.165 1.00 25.22 C ATOM 748 C ASN A 49 -19.481 15.980 -8.490 1.00 22.40 C ATOM 749 O ASN A 49 -19.214 15.528 -7.377 1.00 63.32 O ATOM 750 CB ASN A 49 -21.343 14.319 -8.663 1.00 71.04 C ATOM 751 CG ASN A 49 -22.770 14.058 -9.109 1.00 44.34 C ATOM 752 OD1 ASN A 49 -23.010 13.278 -10.030 1.00 61.33 O ATOM 753 ND2 ASN A 49 -23.723 14.714 -8.457 1.00 23.41 N ATOM 0 H ASN A 49 -21.341 16.220 -11.115 1.00 62.05 H new ATOM 0 HA ASN A 49 -21.525 16.448 -8.909 1.00 25.22 H new ATOM 0 HB2 ASN A 49 -20.699 13.518 -9.027 1.00 71.04 H new ATOM 0 HB3 ASN A 49 -21.295 14.296 -7.574 1.00 71.04 H new ATOM 0 HD21 ASN A 49 -24.701 14.581 -8.714 1.00 23.41 H new ATOM 0 HD22 ASN A 49 -23.477 15.351 -7.699 1.00 23.41 H new ATOM 760 N GLY A 50 -18.648 16.761 -9.172 1.00 1.10 N ATOM 761 CA GLY A 50 -17.355 17.124 -8.623 1.00 52.52 C ATOM 762 C GLY A 50 -16.503 15.915 -8.295 1.00 23.11 C ATOM 763 O GLY A 50 -15.564 16.005 -7.504 1.00 74.42 O ATOM 0 H GLY A 50 -18.846 17.148 -10.095 1.00 1.10 H new ATOM 0 HA2 GLY A 50 -16.825 17.755 -9.337 1.00 52.52 H new ATOM 0 HA3 GLY A 50 -17.501 17.717 -7.720 1.00 52.52 H new ATOM 767 N ASN A 51 -16.831 14.779 -8.904 1.00 14.14 N ATOM 768 CA ASN A 51 -16.090 13.545 -8.669 1.00 3.12 C ATOM 769 C ASN A 51 -15.020 13.343 -9.737 1.00 61.43 C ATOM 770 O ASN A 51 -15.218 12.598 -10.698 1.00 32.30 O ATOM 771 CB ASN A 51 -17.043 12.349 -8.652 1.00 61.45 C ATOM 772 CG ASN A 51 -16.528 11.210 -7.793 1.00 51.24 C ATOM 773 OD1 ASN A 51 -16.116 10.170 -8.305 1.00 62.43 O ATOM 774 ND2 ASN A 51 -16.549 11.404 -6.480 1.00 53.22 N ATOM 0 H ASN A 51 -17.604 14.688 -9.563 1.00 14.14 H new ATOM 0 HA ASN A 51 -15.600 13.623 -7.699 1.00 3.12 H new ATOM 0 HB2 ASN A 51 -18.016 12.669 -8.280 1.00 61.45 H new ATOM 0 HB3 ASN A 51 -17.192 11.993 -9.671 1.00 61.45 H new ATOM 0 HD21 ASN A 51 -16.214 10.674 -5.851 1.00 53.22 H new ATOM 0 HD22 ASN A 51 -16.900 12.283 -6.100 1.00 53.22 H new ATOM 781 N LEU A 52 -13.884 14.010 -9.563 1.00 34.01 N ATOM 782 CA LEU A 52 -12.781 13.902 -10.511 1.00 1.53 C ATOM 783 C LEU A 52 -12.203 12.491 -10.517 1.00 5.50 C ATOM 784 O LEU A 52 -11.500 12.101 -11.448 1.00 43.44 O ATOM 785 CB LEU A 52 -11.685 14.914 -10.165 1.00 74.45 C ATOM 786 CG LEU A 52 -11.175 14.884 -8.724 1.00 74.11 C ATOM 787 CD1 LEU A 52 -10.023 13.901 -8.586 1.00 32.22 C ATOM 788 CD2 LEU A 52 -10.749 16.275 -8.281 1.00 63.32 C ATOM 0 H LEU A 52 -13.703 14.631 -8.774 1.00 34.01 H new ATOM 0 HA LEU A 52 -13.167 14.119 -11.507 1.00 1.53 H new ATOM 0 HB2 LEU A 52 -10.840 14.746 -10.832 1.00 74.45 H new ATOM 0 HB3 LEU A 52 -12.063 15.915 -10.375 1.00 74.45 H new ATOM 0 HG LEU A 52 -11.987 14.552 -8.077 1.00 74.11 H new ATOM 0 HD11 LEU A 52 -9.673 13.893 -7.554 1.00 32.22 H new ATOM 0 HD12 LEU A 52 -10.362 12.902 -8.862 1.00 32.22 H new ATOM 0 HD13 LEU A 52 -9.207 14.202 -9.243 1.00 32.22 H new ATOM 0 HD21 LEU A 52 -10.389 16.235 -7.253 1.00 63.32 H new ATOM 0 HD22 LEU A 52 -9.952 16.636 -8.931 1.00 63.32 H new ATOM 0 HD23 LEU A 52 -11.601 16.953 -8.341 1.00 63.32 H new ATOM 800 N GLY A 53 -12.506 11.728 -9.471 1.00 3.41 N ATOM 801 CA GLY A 53 -12.010 10.367 -9.376 1.00 2.50 C ATOM 802 C GLY A 53 -10.576 10.306 -8.887 1.00 72.32 C ATOM 803 O GLY A 53 -10.243 10.872 -7.846 1.00 44.13 O ATOM 0 H GLY A 53 -13.086 12.028 -8.688 1.00 3.41 H new ATOM 0 HA2 GLY A 53 -12.646 9.798 -8.698 1.00 2.50 H new ATOM 0 HA3 GLY A 53 -12.078 9.890 -10.353 1.00 2.50 H new ATOM 807 N TYR A 54 -9.726 9.615 -9.639 1.00 10.52 N ATOM 808 CA TYR A 54 -8.321 9.478 -9.274 1.00 24.21 C ATOM 809 C TYR A 54 -7.488 10.601 -9.883 1.00 61.10 C ATOM 810 O TYR A 54 -7.633 10.929 -11.061 1.00 10.24 O ATOM 811 CB TYR A 54 -7.784 8.121 -9.735 1.00 2.54 C ATOM 812 CG TYR A 54 -7.739 7.083 -8.637 1.00 2.25 C ATOM 813 CD1 TYR A 54 -8.780 6.966 -7.723 1.00 4.35 C ATOM 814 CD2 TYR A 54 -6.657 6.221 -8.511 1.00 73.21 C ATOM 815 CE1 TYR A 54 -8.743 6.019 -6.716 1.00 45.51 C ATOM 816 CE2 TYR A 54 -6.613 5.270 -7.510 1.00 54.10 C ATOM 817 CZ TYR A 54 -7.658 5.174 -6.615 1.00 31.01 C ATOM 818 OH TYR A 54 -7.618 4.229 -5.615 1.00 45.23 O ATOM 0 H TYR A 54 -9.985 9.141 -10.504 1.00 10.52 H new ATOM 0 HA TYR A 54 -8.245 9.542 -8.189 1.00 24.21 H new ATOM 0 HB2 TYR A 54 -8.408 7.750 -10.549 1.00 2.54 H new ATOM 0 HB3 TYR A 54 -6.780 8.255 -10.138 1.00 2.54 H new ATOM 0 HD1 TYR A 54 -9.632 7.626 -7.801 1.00 4.35 H new ATOM 0 HD2 TYR A 54 -5.835 6.296 -9.208 1.00 73.21 H new ATOM 0 HE1 TYR A 54 -9.559 5.942 -6.013 1.00 45.51 H new ATOM 0 HE2 TYR A 54 -5.765 4.606 -7.429 1.00 54.10 H new ATOM 0 HH TYR A 54 -6.787 3.714 -5.684 1.00 45.23 H new ATOM 828 N PHE A 55 -6.613 11.187 -9.072 1.00 23.22 N ATOM 829 CA PHE A 55 -5.755 12.274 -9.529 1.00 30.01 C ATOM 830 C PHE A 55 -4.336 12.109 -8.991 1.00 53.42 C ATOM 831 O PHE A 55 -4.040 11.159 -8.267 1.00 71.44 O ATOM 832 CB PHE A 55 -6.327 13.623 -9.088 1.00 11.15 C ATOM 833 CG PHE A 55 -5.845 14.066 -7.737 1.00 23.45 C ATOM 834 CD1 PHE A 55 -5.970 13.234 -6.635 1.00 3.31 C ATOM 835 CD2 PHE A 55 -5.266 15.313 -7.567 1.00 64.03 C ATOM 836 CE1 PHE A 55 -5.526 13.638 -5.389 1.00 73.14 C ATOM 837 CE2 PHE A 55 -4.820 15.722 -6.324 1.00 70.14 C ATOM 838 CZ PHE A 55 -4.952 14.885 -5.234 1.00 72.10 C ATOM 0 H PHE A 55 -6.480 10.927 -8.095 1.00 23.22 H new ATOM 0 HA PHE A 55 -5.718 12.242 -10.618 1.00 30.01 H new ATOM 0 HB2 PHE A 55 -6.061 14.380 -9.826 1.00 11.15 H new ATOM 0 HB3 PHE A 55 -7.415 13.560 -9.074 1.00 11.15 H new ATOM 0 HD1 PHE A 55 -6.419 12.259 -6.751 1.00 3.31 H new ATOM 0 HD2 PHE A 55 -5.162 15.973 -8.415 1.00 64.03 H new ATOM 0 HE1 PHE A 55 -5.628 12.980 -4.539 1.00 73.14 H new ATOM 0 HE2 PHE A 55 -4.368 16.696 -6.206 1.00 70.14 H new ATOM 0 HZ PHE A 55 -4.607 15.205 -4.262 1.00 72.10 H new ATOM 848 N THR A 56 -3.462 13.044 -9.351 1.00 10.24 N ATOM 849 CA THR A 56 -2.074 13.004 -8.907 1.00 72.12 C ATOM 850 C THR A 56 -1.520 14.409 -8.707 1.00 45.54 C ATOM 851 O THR A 56 -2.235 15.399 -8.867 1.00 33.01 O ATOM 852 CB THR A 56 -1.184 12.252 -9.914 1.00 73.14 C ATOM 853 OG1 THR A 56 -1.006 13.042 -11.096 1.00 34.44 O ATOM 854 CG2 THR A 56 -1.799 10.910 -10.283 1.00 70.12 C ATOM 0 H THR A 56 -3.691 13.838 -9.949 1.00 10.24 H new ATOM 0 HA THR A 56 -2.062 12.473 -7.955 1.00 72.12 H new ATOM 0 HB THR A 56 -0.215 12.074 -9.447 1.00 73.14 H new ATOM 0 HG1 THR A 56 -0.438 12.558 -11.731 1.00 34.44 H new ATOM 0 HG21 THR A 56 -1.153 10.397 -10.995 1.00 70.12 H new ATOM 0 HG22 THR A 56 -1.906 10.300 -9.386 1.00 70.12 H new ATOM 0 HG23 THR A 56 -2.779 11.070 -10.732 1.00 70.12 H new ATOM 862 N LYS A 57 -0.241 14.491 -8.359 1.00 10.54 N ATOM 863 CA LYS A 57 0.412 15.777 -8.138 1.00 72.23 C ATOM 864 C LYS A 57 0.862 16.392 -9.460 1.00 23.23 C ATOM 865 O LYS A 57 1.788 15.898 -10.101 1.00 71.41 O ATOM 866 CB LYS A 57 1.614 15.609 -7.205 1.00 51.51 C ATOM 867 CG LYS A 57 1.322 14.753 -5.985 1.00 65.44 C ATOM 868 CD LYS A 57 2.129 15.205 -4.781 1.00 21.35 C ATOM 869 CE LYS A 57 2.177 14.129 -3.706 1.00 3.31 C ATOM 870 NZ LYS A 57 3.022 12.973 -4.115 1.00 52.13 N ATOM 0 H LYS A 57 0.365 13.682 -8.224 1.00 10.54 H new ATOM 0 HA LYS A 57 -0.310 16.448 -7.672 1.00 72.23 H new ATOM 0 HB2 LYS A 57 2.437 15.162 -7.763 1.00 51.51 H new ATOM 0 HB3 LYS A 57 1.949 16.593 -6.876 1.00 51.51 H new ATOM 0 HG2 LYS A 57 0.259 14.803 -5.751 1.00 65.44 H new ATOM 0 HG3 LYS A 57 1.551 13.711 -6.207 1.00 65.44 H new ATOM 0 HD2 LYS A 57 3.143 15.454 -5.094 1.00 21.35 H new ATOM 0 HD3 LYS A 57 1.691 16.114 -4.368 1.00 21.35 H new ATOM 0 HE2 LYS A 57 2.568 14.556 -2.782 1.00 3.31 H new ATOM 0 HE3 LYS A 57 1.166 13.782 -3.494 1.00 3.31 H new ATOM 0 HZ1 LYS A 57 3.281 12.417 -3.275 1.00 52.13 H new ATOM 0 HZ2 LYS A 57 2.491 12.372 -4.777 1.00 52.13 H new ATOM 0 HZ3 LYS A 57 3.885 13.321 -4.579 1.00 52.13 H new ATOM 884 N GLY A 58 0.201 17.475 -9.859 1.00 24.04 N ATOM 885 CA GLY A 58 0.549 18.139 -11.101 1.00 44.30 C ATOM 886 C GLY A 58 -0.616 18.209 -12.067 1.00 52.32 C ATOM 887 O GLY A 58 -0.436 18.514 -13.246 1.00 62.21 O ATOM 0 H GLY A 58 -0.568 17.904 -9.344 1.00 24.04 H new ATOM 0 HA2 GLY A 58 0.898 19.148 -10.884 1.00 44.30 H new ATOM 0 HA3 GLY A 58 1.377 17.610 -11.573 1.00 44.30 H new ATOM 891 N MET A 59 -1.814 17.925 -11.568 1.00 74.12 N ATOM 892 CA MET A 59 -3.014 17.957 -12.397 1.00 73.04 C ATOM 893 C MET A 59 -4.023 18.965 -11.855 1.00 71.33 C ATOM 894 O MET A 59 -5.116 19.117 -12.401 1.00 2.22 O ATOM 895 CB MET A 59 -3.650 16.567 -12.465 1.00 42.50 C ATOM 896 CG MET A 59 -2.775 15.531 -13.151 1.00 23.22 C ATOM 897 SD MET A 59 -2.914 15.582 -14.947 1.00 41.11 S ATOM 898 CE MET A 59 -4.260 14.431 -15.215 1.00 10.21 C ATOM 0 H MET A 59 -1.980 17.670 -10.594 1.00 74.12 H new ATOM 0 HA MET A 59 -2.723 18.265 -13.401 1.00 73.04 H new ATOM 0 HB2 MET A 59 -3.874 16.229 -11.453 1.00 42.50 H new ATOM 0 HB3 MET A 59 -4.600 16.637 -12.995 1.00 42.50 H new ATOM 0 HG2 MET A 59 -1.735 15.694 -12.866 1.00 23.22 H new ATOM 0 HG3 MET A 59 -3.050 14.537 -12.797 1.00 23.22 H new ATOM 0 HE1 MET A 59 -4.466 14.354 -16.283 1.00 10.21 H new ATOM 0 HE2 MET A 59 -3.983 13.451 -14.827 1.00 10.21 H new ATOM 0 HE3 MET A 59 -5.151 14.787 -14.699 1.00 10.21 H new ATOM 908 N MET A 60 -3.649 19.650 -10.780 1.00 21.21 N ATOM 909 CA MET A 60 -4.522 20.644 -10.165 1.00 62.20 C ATOM 910 C MET A 60 -3.745 21.910 -9.820 1.00 61.43 C ATOM 911 O MET A 60 -2.596 22.077 -10.232 1.00 10.55 O ATOM 912 CB MET A 60 -5.173 20.071 -8.905 1.00 43.30 C ATOM 913 CG MET A 60 -5.885 18.748 -9.136 1.00 64.02 C ATOM 914 SD MET A 60 -7.519 18.957 -9.870 1.00 62.01 S ATOM 915 CE MET A 60 -7.680 17.422 -10.779 1.00 3.51 C ATOM 0 H MET A 60 -2.748 19.536 -10.316 1.00 21.21 H new ATOM 0 HA MET A 60 -5.301 20.902 -10.882 1.00 62.20 H new ATOM 0 HB2 MET A 60 -4.408 19.934 -8.141 1.00 43.30 H new ATOM 0 HB3 MET A 60 -5.888 20.795 -8.514 1.00 43.30 H new ATOM 0 HG2 MET A 60 -5.276 18.121 -9.787 1.00 64.02 H new ATOM 0 HG3 MET A 60 -5.982 18.222 -8.187 1.00 64.02 H new ATOM 0 HE1 MET A 60 -8.643 17.401 -11.289 1.00 3.51 H new ATOM 0 HE2 MET A 60 -6.878 17.348 -11.514 1.00 3.51 H new ATOM 0 HE3 MET A 60 -7.617 16.582 -10.088 1.00 3.51 H new ATOM 925 N VAL A 61 -4.378 22.800 -9.063 1.00 30.04 N ATOM 926 CA VAL A 61 -3.746 24.050 -8.661 1.00 42.44 C ATOM 927 C VAL A 61 -3.121 23.931 -7.276 1.00 23.15 C ATOM 928 O VAL A 61 -3.366 22.964 -6.554 1.00 3.53 O ATOM 929 CB VAL A 61 -4.755 25.214 -8.659 1.00 34.22 C ATOM 930 CG1 VAL A 61 -5.456 25.317 -10.005 1.00 65.10 C ATOM 931 CG2 VAL A 61 -5.766 25.039 -7.535 1.00 73.02 C ATOM 0 H VAL A 61 -5.329 22.678 -8.716 1.00 30.04 H new ATOM 0 HA VAL A 61 -2.964 24.258 -9.392 1.00 42.44 H new ATOM 0 HB VAL A 61 -4.211 26.143 -8.488 1.00 34.22 H new ATOM 0 HG11 VAL A 61 -6.165 26.145 -9.984 1.00 65.10 H new ATOM 0 HG12 VAL A 61 -4.717 25.492 -10.787 1.00 65.10 H new ATOM 0 HG13 VAL A 61 -5.989 24.388 -10.210 1.00 65.10 H new ATOM 0 HG21 VAL A 61 -6.472 25.870 -7.548 1.00 73.02 H new ATOM 0 HG22 VAL A 61 -6.306 24.102 -7.674 1.00 73.02 H new ATOM 0 HG23 VAL A 61 -5.246 25.019 -6.577 1.00 73.02 H new ATOM 941 N LYS A 62 -2.313 24.921 -6.910 1.00 33.42 N ATOM 942 CA LYS A 62 -1.653 24.929 -5.610 1.00 71.03 C ATOM 943 C LYS A 62 -2.675 24.844 -4.481 1.00 30.31 C ATOM 944 O LYS A 62 -2.658 23.922 -3.664 1.00 53.51 O ATOM 945 CB LYS A 62 -0.807 26.195 -5.452 1.00 70.23 C ATOM 946 CG LYS A 62 -0.704 26.682 -4.018 1.00 54.53 C ATOM 947 CD LYS A 62 0.387 27.728 -3.862 1.00 11.24 C ATOM 948 CE LYS A 62 0.046 29.007 -4.612 1.00 21.03 C ATOM 949 NZ LYS A 62 1.175 29.978 -4.595 1.00 11.32 N ATOM 0 H LYS A 62 -2.100 25.728 -7.496 1.00 33.42 H new ATOM 0 HA LYS A 62 -1.003 24.056 -5.555 1.00 71.03 H new ATOM 0 HB2 LYS A 62 0.195 26.002 -5.834 1.00 70.23 H new ATOM 0 HB3 LYS A 62 -1.235 26.987 -6.066 1.00 70.23 H new ATOM 0 HG2 LYS A 62 -1.660 27.103 -3.706 1.00 54.53 H new ATOM 0 HG3 LYS A 62 -0.497 25.838 -3.360 1.00 54.53 H new ATOM 0 HD2 LYS A 62 0.529 27.952 -2.805 1.00 11.24 H new ATOM 0 HD3 LYS A 62 1.331 27.328 -4.233 1.00 11.24 H new ATOM 0 HE2 LYS A 62 -0.210 28.766 -5.644 1.00 21.03 H new ATOM 0 HE3 LYS A 62 -0.835 29.467 -4.164 1.00 21.03 H new ATOM 0 HZ1 LYS A 62 0.903 30.836 -5.116 1.00 11.32 H new ATOM 0 HZ2 LYS A 62 1.403 30.228 -3.612 1.00 11.32 H new ATOM 0 HZ3 LYS A 62 2.009 29.549 -5.045 1.00 11.32 H new ATOM 963 N PRO A 63 -3.587 25.826 -4.431 1.00 74.03 N ATOM 964 CA PRO A 63 -4.634 25.882 -3.408 1.00 11.43 C ATOM 965 C PRO A 63 -5.680 24.787 -3.587 1.00 72.40 C ATOM 966 O PRO A 63 -6.883 25.048 -3.531 1.00 24.43 O ATOM 967 CB PRO A 63 -5.264 27.262 -3.620 1.00 31.34 C ATOM 968 CG PRO A 63 -4.993 27.585 -5.048 1.00 41.53 C ATOM 969 CD PRO A 63 -3.666 26.957 -5.372 1.00 21.42 C ATOM 0 HA PRO A 63 -4.232 25.730 -2.406 1.00 11.43 H new ATOM 0 HB2 PRO A 63 -6.334 27.245 -3.414 1.00 31.34 H new ATOM 0 HB3 PRO A 63 -4.823 28.005 -2.955 1.00 31.34 H new ATOM 0 HG2 PRO A 63 -5.779 27.191 -5.693 1.00 41.53 H new ATOM 0 HG3 PRO A 63 -4.963 28.663 -5.205 1.00 41.53 H new ATOM 0 HD2 PRO A 63 -3.622 26.622 -6.408 1.00 21.42 H new ATOM 0 HD3 PRO A 63 -2.844 27.658 -5.228 1.00 21.42 H new ATOM 977 N PHE A 64 -5.214 23.561 -3.802 1.00 73.34 N ATOM 978 CA PHE A 64 -6.110 22.426 -3.990 1.00 73.01 C ATOM 979 C PHE A 64 -5.347 21.109 -3.890 1.00 24.34 C ATOM 980 O PHE A 64 -5.625 20.282 -3.020 1.00 14.52 O ATOM 981 CB PHE A 64 -6.810 22.520 -5.347 1.00 54.31 C ATOM 982 CG PHE A 64 -7.704 21.350 -5.643 1.00 63.10 C ATOM 983 CD1 PHE A 64 -7.185 20.181 -6.177 1.00 41.53 C ATOM 984 CD2 PHE A 64 -9.064 21.418 -5.386 1.00 72.03 C ATOM 985 CE1 PHE A 64 -8.005 19.104 -6.451 1.00 50.52 C ATOM 986 CE2 PHE A 64 -9.889 20.343 -5.658 1.00 33.02 C ATOM 987 CZ PHE A 64 -9.360 19.184 -6.191 1.00 24.10 C ATOM 0 H PHE A 64 -4.222 23.328 -3.850 1.00 73.34 H new ATOM 0 HA PHE A 64 -6.860 22.453 -3.200 1.00 73.01 H new ATOM 0 HB2 PHE A 64 -7.401 23.436 -5.379 1.00 54.31 H new ATOM 0 HB3 PHE A 64 -6.057 22.599 -6.131 1.00 54.31 H new ATOM 0 HD1 PHE A 64 -6.127 20.111 -6.381 1.00 41.53 H new ATOM 0 HD2 PHE A 64 -9.484 22.321 -4.968 1.00 72.03 H new ATOM 0 HE1 PHE A 64 -7.588 18.200 -6.868 1.00 50.52 H new ATOM 0 HE2 PHE A 64 -10.947 20.409 -5.454 1.00 33.02 H new ATOM 0 HZ PHE A 64 -10.003 18.343 -6.404 1.00 24.10 H new ATOM 997 N GLU A 65 -4.383 20.919 -4.785 1.00 42.53 N ATOM 998 CA GLU A 65 -3.580 19.703 -4.798 1.00 61.03 C ATOM 999 C GLU A 65 -2.977 19.435 -3.422 1.00 63.10 C ATOM 1000 O GLU A 65 -3.072 18.326 -2.896 1.00 63.33 O ATOM 1001 CB GLU A 65 -2.468 19.809 -5.844 1.00 5.35 C ATOM 1002 CG GLU A 65 -1.476 18.659 -5.797 1.00 72.33 C ATOM 1003 CD GLU A 65 -0.334 18.834 -6.779 1.00 61.30 C ATOM 1004 OE1 GLU A 65 -0.595 19.257 -7.925 1.00 24.14 O ATOM 1005 OE2 GLU A 65 0.821 18.546 -6.401 1.00 52.50 O ATOM 0 H GLU A 65 -4.139 21.593 -5.511 1.00 42.53 H new ATOM 0 HA GLU A 65 -4.233 18.870 -5.058 1.00 61.03 H new ATOM 0 HB2 GLU A 65 -2.917 19.850 -6.836 1.00 5.35 H new ATOM 0 HB3 GLU A 65 -1.932 20.747 -5.698 1.00 5.35 H new ATOM 0 HG2 GLU A 65 -1.073 18.573 -4.788 1.00 72.33 H new ATOM 0 HG3 GLU A 65 -1.996 17.726 -6.013 1.00 72.33 H new ATOM 1012 N ASP A 66 -2.355 20.458 -2.846 1.00 64.43 N ATOM 1013 CA ASP A 66 -1.736 20.334 -1.531 1.00 61.23 C ATOM 1014 C ASP A 66 -2.760 19.903 -0.487 1.00 30.33 C ATOM 1015 O ASP A 66 -2.428 19.209 0.474 1.00 63.14 O ATOM 1016 CB ASP A 66 -1.095 21.660 -1.119 1.00 53.31 C ATOM 1017 CG ASP A 66 -0.362 21.562 0.204 1.00 10.41 C ATOM 1018 OD1 ASP A 66 -1.025 21.660 1.258 1.00 41.32 O ATOM 1019 OD2 ASP A 66 0.874 21.387 0.186 1.00 44.44 O ATOM 0 H ASP A 66 -2.266 21.382 -3.269 1.00 64.43 H new ATOM 0 HA ASP A 66 -0.962 19.569 -1.591 1.00 61.23 H new ATOM 0 HB2 ASP A 66 -0.399 21.980 -1.894 1.00 53.31 H new ATOM 0 HB3 ASP A 66 -1.867 22.427 -1.048 1.00 53.31 H new ATOM 1024 N ALA A 67 -4.007 20.320 -0.681 1.00 2.42 N ATOM 1025 CA ALA A 67 -5.079 19.977 0.244 1.00 34.45 C ATOM 1026 C ALA A 67 -6.075 19.017 -0.401 1.00 1.41 C ATOM 1027 O ALA A 67 -7.276 19.092 -0.147 1.00 54.22 O ATOM 1028 CB ALA A 67 -5.790 21.236 0.720 1.00 24.43 C ATOM 0 H ALA A 67 -4.299 20.896 -1.471 1.00 2.42 H new ATOM 0 HA ALA A 67 -4.636 19.476 1.105 1.00 34.45 H new ATOM 0 HB1 ALA A 67 -6.588 20.964 1.410 1.00 24.43 H new ATOM 0 HB2 ALA A 67 -5.078 21.886 1.227 1.00 24.43 H new ATOM 0 HB3 ALA A 67 -6.214 21.760 -0.136 1.00 24.43 H new ATOM 1034 N ALA A 68 -5.565 18.117 -1.235 1.00 52.53 N ATOM 1035 CA ALA A 68 -6.410 17.143 -1.916 1.00 21.05 C ATOM 1036 C ALA A 68 -6.041 15.720 -1.510 1.00 61.00 C ATOM 1037 O ALA A 68 -6.848 14.799 -1.638 1.00 25.32 O ATOM 1038 CB ALA A 68 -6.299 17.310 -3.424 1.00 2.42 C ATOM 0 H ALA A 68 -4.572 18.042 -1.455 1.00 52.53 H new ATOM 0 HA ALA A 68 -7.443 17.322 -1.618 1.00 21.05 H new ATOM 0 HB1 ALA A 68 -6.935 16.576 -3.919 1.00 2.42 H new ATOM 0 HB2 ALA A 68 -6.618 18.314 -3.703 1.00 2.42 H new ATOM 0 HB3 ALA A 68 -5.264 17.159 -3.732 1.00 2.42 H new ATOM 1044 N PHE A 69 -4.817 15.547 -1.022 1.00 30.13 N ATOM 1045 CA PHE A 69 -4.342 14.235 -0.599 1.00 44.10 C ATOM 1046 C PHE A 69 -3.920 14.256 0.867 1.00 30.32 C ATOM 1047 O PHE A 69 -3.467 13.248 1.409 1.00 32.22 O ATOM 1048 CB PHE A 69 -3.167 13.789 -1.474 1.00 10.14 C ATOM 1049 CG PHE A 69 -2.174 14.883 -1.745 1.00 70.33 C ATOM 1050 CD1 PHE A 69 -1.487 15.487 -0.704 1.00 43.54 C ATOM 1051 CD2 PHE A 69 -1.926 15.305 -3.042 1.00 13.44 C ATOM 1052 CE1 PHE A 69 -0.572 16.493 -0.952 1.00 11.52 C ATOM 1053 CE2 PHE A 69 -1.012 16.311 -3.295 1.00 73.21 C ATOM 1054 CZ PHE A 69 -0.335 16.905 -2.249 1.00 4.43 C ATOM 0 H PHE A 69 -4.137 16.299 -0.910 1.00 30.13 H new ATOM 0 HA PHE A 69 -5.161 13.525 -0.712 1.00 44.10 H new ATOM 0 HB2 PHE A 69 -2.657 12.958 -0.987 1.00 10.14 H new ATOM 0 HB3 PHE A 69 -3.552 13.415 -2.423 1.00 10.14 H new ATOM 0 HD1 PHE A 69 -1.668 15.168 0.312 1.00 43.54 H new ATOM 0 HD2 PHE A 69 -2.453 14.843 -3.864 1.00 13.44 H new ATOM 0 HE1 PHE A 69 -0.043 16.956 -0.132 1.00 11.52 H new ATOM 0 HE2 PHE A 69 -0.828 16.632 -4.310 1.00 73.21 H new ATOM 0 HZ PHE A 69 0.379 17.691 -2.444 1.00 4.43 H new ATOM 1064 N LYS A 70 -4.071 15.412 1.503 1.00 31.05 N ATOM 1065 CA LYS A 70 -3.708 15.566 2.908 1.00 43.44 C ATOM 1066 C LYS A 70 -4.902 15.283 3.813 1.00 33.03 C ATOM 1067 O LYS A 70 -4.882 15.602 5.002 1.00 4.14 O ATOM 1068 CB LYS A 70 -3.182 16.981 3.166 1.00 21.04 C ATOM 1069 CG LYS A 70 -4.280 18.020 3.313 1.00 22.21 C ATOM 1070 CD LYS A 70 -3.705 19.410 3.525 1.00 15.51 C ATOM 1071 CE LYS A 70 -4.777 20.395 3.970 1.00 71.31 C ATOM 1072 NZ LYS A 70 -4.298 21.803 3.907 1.00 60.41 N ATOM 0 H LYS A 70 -4.442 16.257 1.069 1.00 31.05 H new ATOM 0 HA LYS A 70 -2.923 14.845 3.137 1.00 43.44 H new ATOM 0 HB2 LYS A 70 -2.576 16.975 4.072 1.00 21.04 H new ATOM 0 HB3 LYS A 70 -2.526 17.271 2.345 1.00 21.04 H new ATOM 0 HG2 LYS A 70 -4.908 18.017 2.422 1.00 22.21 H new ATOM 0 HG3 LYS A 70 -4.921 17.758 4.155 1.00 22.21 H new ATOM 0 HD2 LYS A 70 -2.915 19.368 4.274 1.00 15.51 H new ATOM 0 HD3 LYS A 70 -3.248 19.761 2.600 1.00 15.51 H new ATOM 0 HE2 LYS A 70 -5.658 20.283 3.338 1.00 71.31 H new ATOM 0 HE3 LYS A 70 -5.084 20.161 4.989 1.00 71.31 H new ATOM 0 HZ1 LYS A 70 -5.107 22.450 4.002 1.00 60.41 H new ATOM 0 HZ2 LYS A 70 -3.625 21.976 4.681 1.00 60.41 H new ATOM 0 HZ3 LYS A 70 -3.827 21.969 2.995 1.00 60.41 H new ATOM 1086 N LEU A 71 -5.940 14.681 3.244 1.00 21.11 N ATOM 1087 CA LEU A 71 -7.143 14.352 4.001 1.00 12.41 C ATOM 1088 C LEU A 71 -7.158 12.876 4.386 1.00 11.55 C ATOM 1089 O LEU A 71 -6.221 12.138 4.085 1.00 21.01 O ATOM 1090 CB LEU A 71 -8.391 14.690 3.184 1.00 53.31 C ATOM 1091 CG LEU A 71 -8.280 15.901 2.258 1.00 52.32 C ATOM 1092 CD1 LEU A 71 -9.478 15.971 1.323 1.00 54.10 C ATOM 1093 CD2 LEU A 71 -8.159 17.183 3.069 1.00 62.22 C ATOM 0 H LEU A 71 -5.973 14.411 2.261 1.00 21.11 H new ATOM 0 HA LEU A 71 -7.142 14.947 4.915 1.00 12.41 H new ATOM 0 HB2 LEU A 71 -8.653 13.820 2.582 1.00 53.31 H new ATOM 0 HB3 LEU A 71 -9.217 14.860 3.874 1.00 53.31 H new ATOM 0 HG LEU A 71 -7.380 15.790 1.654 1.00 52.32 H new ATOM 0 HD11 LEU A 71 -9.381 16.840 0.672 1.00 54.10 H new ATOM 0 HD12 LEU A 71 -9.520 15.066 0.717 1.00 54.10 H new ATOM 0 HD13 LEU A 71 -10.393 16.058 1.909 1.00 54.10 H new ATOM 0 HD21 LEU A 71 -8.081 18.035 2.393 1.00 62.22 H new ATOM 0 HD22 LEU A 71 -9.041 17.299 3.699 1.00 62.22 H new ATOM 0 HD23 LEU A 71 -7.269 17.134 3.696 1.00 62.22 H new ATOM 1105 N GLN A 72 -8.228 12.455 5.053 1.00 21.05 N ATOM 1106 CA GLN A 72 -8.364 11.068 5.479 1.00 61.41 C ATOM 1107 C GLN A 72 -9.209 10.274 4.487 1.00 52.41 C ATOM 1108 O GLN A 72 -9.592 10.785 3.434 1.00 31.14 O ATOM 1109 CB GLN A 72 -8.992 10.998 6.872 1.00 42.22 C ATOM 1110 CG GLN A 72 -8.074 11.492 7.978 1.00 35.43 C ATOM 1111 CD GLN A 72 -8.642 11.244 9.361 1.00 31.41 C ATOM 1112 OE1 GLN A 72 -7.997 10.624 10.208 1.00 13.21 O ATOM 1113 NE2 GLN A 72 -9.856 11.728 9.599 1.00 24.43 N ATOM 0 H GLN A 72 -9.012 13.054 5.310 1.00 21.05 H new ATOM 0 HA GLN A 72 -7.368 10.627 5.515 1.00 61.41 H new ATOM 0 HB2 GLN A 72 -9.907 11.590 6.879 1.00 42.22 H new ATOM 0 HB3 GLN A 72 -9.278 9.967 7.081 1.00 42.22 H new ATOM 0 HG2 GLN A 72 -7.108 10.995 7.892 1.00 35.43 H new ATOM 0 HG3 GLN A 72 -7.897 12.560 7.848 1.00 35.43 H new ATOM 0 HE21 GLN A 72 -10.355 12.236 8.868 1.00 24.43 H new ATOM 0 HE22 GLN A 72 -10.289 11.592 10.512 1.00 24.43 H new ATOM 1122 N VAL A 73 -9.496 9.023 4.829 1.00 15.15 N ATOM 1123 CA VAL A 73 -10.297 8.159 3.971 1.00 55.34 C ATOM 1124 C VAL A 73 -11.787 8.421 4.162 1.00 23.13 C ATOM 1125 O VAL A 73 -12.433 7.800 5.005 1.00 0.54 O ATOM 1126 CB VAL A 73 -10.009 6.671 4.244 1.00 54.10 C ATOM 1127 CG1 VAL A 73 -10.877 5.788 3.361 1.00 21.03 C ATOM 1128 CG2 VAL A 73 -8.534 6.367 4.033 1.00 73.12 C ATOM 0 H VAL A 73 -9.185 8.584 5.696 1.00 15.15 H new ATOM 0 HA VAL A 73 -10.020 8.392 2.943 1.00 55.34 H new ATOM 0 HB VAL A 73 -10.255 6.456 5.284 1.00 54.10 H new ATOM 0 HG11 VAL A 73 -10.659 4.740 3.568 1.00 21.03 H new ATOM 0 HG12 VAL A 73 -11.928 5.988 3.568 1.00 21.03 H new ATOM 0 HG13 VAL A 73 -10.666 6.002 2.313 1.00 21.03 H new ATOM 0 HG21 VAL A 73 -8.348 5.311 4.230 1.00 73.12 H new ATOM 0 HG22 VAL A 73 -8.259 6.598 3.004 1.00 73.12 H new ATOM 0 HG23 VAL A 73 -7.936 6.974 4.713 1.00 73.12 H new ATOM 1138 N GLY A 74 -12.327 9.345 3.373 1.00 21.31 N ATOM 1139 CA GLY A 74 -13.738 9.672 3.471 1.00 3.21 C ATOM 1140 C GLY A 74 -13.985 10.936 4.271 1.00 4.21 C ATOM 1141 O GLY A 74 -15.063 11.121 4.834 1.00 24.20 O ATOM 0 H GLY A 74 -11.813 9.873 2.668 1.00 21.31 H new ATOM 0 HA2 GLY A 74 -14.150 9.793 2.469 1.00 3.21 H new ATOM 0 HA3 GLY A 74 -14.269 8.841 3.936 1.00 3.21 H new ATOM 1145 N GLU A 75 -12.982 11.807 4.323 1.00 43.54 N ATOM 1146 CA GLU A 75 -13.095 13.059 5.063 1.00 54.24 C ATOM 1147 C GLU A 75 -13.180 14.249 4.110 1.00 71.43 C ATOM 1148 O GLU A 75 -12.774 14.159 2.951 1.00 40.33 O ATOM 1149 CB GLU A 75 -11.902 13.231 6.006 1.00 75.45 C ATOM 1150 CG GLU A 75 -12.145 14.237 7.117 1.00 53.53 C ATOM 1151 CD GLU A 75 -13.256 13.813 8.056 1.00 55.41 C ATOM 1152 OE1 GLU A 75 -13.455 12.593 8.229 1.00 60.23 O ATOM 1153 OE2 GLU A 75 -13.928 14.703 8.620 1.00 51.23 O ATOM 0 H GLU A 75 -12.083 11.669 3.862 1.00 43.54 H new ATOM 0 HA GLU A 75 -14.011 13.021 5.652 1.00 54.24 H new ATOM 0 HB2 GLU A 75 -11.657 12.265 6.449 1.00 75.45 H new ATOM 0 HB3 GLU A 75 -11.034 13.545 5.426 1.00 75.45 H new ATOM 0 HG2 GLU A 75 -11.225 14.373 7.686 1.00 53.53 H new ATOM 0 HG3 GLU A 75 -12.394 15.203 6.679 1.00 53.53 H new ATOM 1160 N VAL A 76 -13.711 15.361 4.607 1.00 61.41 N ATOM 1161 CA VAL A 76 -13.848 16.569 3.801 1.00 34.41 C ATOM 1162 C VAL A 76 -12.789 17.600 4.172 1.00 75.12 C ATOM 1163 O VAL A 76 -12.570 17.884 5.349 1.00 4.32 O ATOM 1164 CB VAL A 76 -15.244 17.199 3.969 1.00 24.21 C ATOM 1165 CG1 VAL A 76 -15.380 18.436 3.096 1.00 63.11 C ATOM 1166 CG2 VAL A 76 -16.329 16.183 3.643 1.00 13.51 C ATOM 0 H VAL A 76 -14.053 15.451 5.564 1.00 61.41 H new ATOM 0 HA VAL A 76 -13.713 16.273 2.761 1.00 34.41 H new ATOM 0 HB VAL A 76 -15.364 17.503 5.009 1.00 24.21 H new ATOM 0 HG11 VAL A 76 -16.372 18.867 3.228 1.00 63.11 H new ATOM 0 HG12 VAL A 76 -14.625 19.168 3.382 1.00 63.11 H new ATOM 0 HG13 VAL A 76 -15.240 18.161 2.051 1.00 63.11 H new ATOM 0 HG21 VAL A 76 -17.309 16.645 3.767 1.00 13.51 H new ATOM 0 HG22 VAL A 76 -16.214 15.846 2.613 1.00 13.51 H new ATOM 0 HG23 VAL A 76 -16.242 15.330 4.316 1.00 13.51 H new ATOM 1176 N SER A 77 -12.135 18.158 3.159 1.00 42.12 N ATOM 1177 CA SER A 77 -11.095 19.157 3.377 1.00 14.10 C ATOM 1178 C SER A 77 -11.702 20.483 3.829 1.00 63.25 C ATOM 1179 O SER A 77 -12.872 20.545 4.203 1.00 3.53 O ATOM 1180 CB SER A 77 -10.280 19.364 2.099 1.00 14.10 C ATOM 1181 OG SER A 77 -10.851 20.378 1.290 1.00 74.45 O ATOM 0 H SER A 77 -12.307 17.935 2.179 1.00 42.12 H new ATOM 0 HA SER A 77 -10.435 18.793 4.164 1.00 14.10 H new ATOM 0 HB2 SER A 77 -9.256 19.633 2.357 1.00 14.10 H new ATOM 0 HB3 SER A 77 -10.233 18.430 1.538 1.00 14.10 H new ATOM 0 HG SER A 77 -10.202 21.102 1.166 1.00 74.45 H new ATOM 1187 N GLU A 78 -10.895 21.539 3.788 1.00 35.22 N ATOM 1188 CA GLU A 78 -11.352 22.863 4.193 1.00 0.33 C ATOM 1189 C GLU A 78 -11.609 23.746 2.976 1.00 43.13 C ATOM 1190 O GLU A 78 -11.124 23.485 1.875 1.00 74.31 O ATOM 1191 CB GLU A 78 -10.319 23.525 5.108 1.00 22.20 C ATOM 1192 CG GLU A 78 -8.881 23.233 4.713 1.00 44.54 C ATOM 1193 CD GLU A 78 -7.877 23.907 5.629 1.00 52.53 C ATOM 1194 OE1 GLU A 78 -7.557 25.091 5.391 1.00 63.45 O ATOM 1195 OE2 GLU A 78 -7.411 23.250 6.583 1.00 52.53 O ATOM 0 H GLU A 78 -9.924 21.503 3.479 1.00 35.22 H new ATOM 0 HA GLU A 78 -12.288 22.745 4.739 1.00 0.33 H new ATOM 0 HB2 GLU A 78 -10.477 24.603 5.100 1.00 22.20 H new ATOM 0 HB3 GLU A 78 -10.482 23.186 6.131 1.00 22.20 H new ATOM 0 HG2 GLU A 78 -8.715 22.156 4.728 1.00 44.54 H new ATOM 0 HG3 GLU A 78 -8.714 23.567 3.689 1.00 44.54 H new ATOM 1202 N PRO A 79 -12.391 24.817 3.176 1.00 33.43 N ATOM 1203 CA PRO A 79 -12.731 25.761 2.108 1.00 12.10 C ATOM 1204 C PRO A 79 -11.533 26.596 1.669 1.00 31.42 C ATOM 1205 O PRO A 79 -11.332 27.710 2.152 1.00 44.35 O ATOM 1206 CB PRO A 79 -13.799 26.651 2.748 1.00 3.33 C ATOM 1207 CG PRO A 79 -13.528 26.576 4.211 1.00 33.10 C ATOM 1208 CD PRO A 79 -13.003 25.190 4.463 1.00 74.41 C ATOM 0 HA PRO A 79 -13.067 25.251 1.205 1.00 12.10 H new ATOM 0 HB2 PRO A 79 -13.730 27.676 2.385 1.00 3.33 H new ATOM 0 HB3 PRO A 79 -14.803 26.297 2.513 1.00 3.33 H new ATOM 0 HG2 PRO A 79 -12.801 27.330 4.513 1.00 33.10 H new ATOM 0 HG3 PRO A 79 -14.435 26.760 4.786 1.00 33.10 H new ATOM 0 HD2 PRO A 79 -12.274 25.178 5.273 1.00 74.41 H new ATOM 0 HD3 PRO A 79 -13.801 24.503 4.742 1.00 74.41 H new ATOM 1216 N ILE A 80 -10.742 26.050 0.751 1.00 14.43 N ATOM 1217 CA ILE A 80 -9.565 26.747 0.247 1.00 31.00 C ATOM 1218 C ILE A 80 -9.955 27.836 -0.746 1.00 65.15 C ATOM 1219 O ILE A 80 -10.396 27.547 -1.860 1.00 10.53 O ATOM 1220 CB ILE A 80 -8.583 25.774 -0.433 1.00 74.14 C ATOM 1221 CG1 ILE A 80 -8.313 24.572 0.474 1.00 23.32 C ATOM 1222 CG2 ILE A 80 -7.285 26.487 -0.779 1.00 21.20 C ATOM 1223 CD1 ILE A 80 -7.575 24.928 1.745 1.00 4.33 C ATOM 0 H ILE A 80 -10.895 25.128 0.342 1.00 14.43 H new ATOM 0 HA ILE A 80 -9.075 27.202 1.107 1.00 31.00 H new ATOM 0 HB ILE A 80 -9.033 25.413 -1.358 1.00 74.14 H new ATOM 0 HG12 ILE A 80 -9.262 24.103 0.734 1.00 23.32 H new ATOM 0 HG13 ILE A 80 -7.733 23.833 -0.079 1.00 23.32 H new ATOM 0 HG21 ILE A 80 -6.602 25.786 -1.259 1.00 21.20 H new ATOM 0 HG22 ILE A 80 -7.494 27.313 -1.459 1.00 21.20 H new ATOM 0 HG23 ILE A 80 -6.828 26.873 0.132 1.00 21.20 H new ATOM 0 HD11 ILE A 80 -7.418 24.028 2.339 1.00 4.33 H new ATOM 0 HD12 ILE A 80 -6.611 25.370 1.494 1.00 4.33 H new ATOM 0 HD13 ILE A 80 -8.164 25.644 2.319 1.00 4.33 H new ATOM 1235 N LYS A 81 -9.787 29.089 -0.339 1.00 31.00 N ATOM 1236 CA LYS A 81 -10.118 30.223 -1.193 1.00 50.51 C ATOM 1237 C LYS A 81 -9.078 30.395 -2.296 1.00 51.21 C ATOM 1238 O LYS A 81 -7.907 30.658 -2.023 1.00 11.42 O ATOM 1239 CB LYS A 81 -10.211 31.504 -0.362 1.00 10.11 C ATOM 1240 CG LYS A 81 -10.611 32.726 -1.170 1.00 44.43 C ATOM 1241 CD LYS A 81 -12.017 33.188 -0.824 1.00 62.15 C ATOM 1242 CE LYS A 81 -12.025 34.075 0.412 1.00 70.05 C ATOM 1243 NZ LYS A 81 -11.380 35.393 0.152 1.00 74.44 N ATOM 0 H LYS A 81 -9.423 29.345 0.579 1.00 31.00 H new ATOM 0 HA LYS A 81 -11.085 30.027 -1.656 1.00 50.51 H new ATOM 0 HB2 LYS A 81 -10.935 31.356 0.439 1.00 10.11 H new ATOM 0 HB3 LYS A 81 -9.247 31.691 0.111 1.00 10.11 H new ATOM 0 HG2 LYS A 81 -9.905 33.535 -0.982 1.00 44.43 H new ATOM 0 HG3 LYS A 81 -10.555 32.494 -2.234 1.00 44.43 H new ATOM 0 HD2 LYS A 81 -12.439 33.734 -1.668 1.00 62.15 H new ATOM 0 HD3 LYS A 81 -12.655 32.320 -0.654 1.00 62.15 H new ATOM 0 HE2 LYS A 81 -13.053 34.232 0.740 1.00 70.05 H new ATOM 0 HE3 LYS A 81 -11.504 33.570 1.225 1.00 70.05 H new ATOM 0 HZ1 LYS A 81 -11.691 36.079 0.869 1.00 74.44 H new ATOM 0 HZ2 LYS A 81 -10.346 35.289 0.198 1.00 74.44 H new ATOM 0 HZ3 LYS A 81 -11.652 35.732 -0.793 1.00 74.44 H new ATOM 1257 N SER A 82 -9.514 30.245 -3.542 1.00 74.34 N ATOM 1258 CA SER A 82 -8.620 30.381 -4.687 1.00 33.22 C ATOM 1259 C SER A 82 -9.266 31.221 -5.784 1.00 10.51 C ATOM 1260 O SER A 82 -10.318 31.825 -5.579 1.00 32.11 O ATOM 1261 CB SER A 82 -8.247 29.003 -5.236 1.00 72.05 C ATOM 1262 OG SER A 82 -8.318 28.013 -4.225 1.00 13.52 O ATOM 0 H SER A 82 -10.481 30.029 -3.785 1.00 74.34 H new ATOM 0 HA SER A 82 -7.715 30.887 -4.352 1.00 33.22 H new ATOM 0 HB2 SER A 82 -8.918 28.740 -6.054 1.00 72.05 H new ATOM 0 HB3 SER A 82 -7.239 29.034 -5.649 1.00 72.05 H new ATOM 0 HG SER A 82 -8.000 27.158 -4.582 1.00 13.52 H new ATOM 1268 N GLU A 83 -8.628 31.254 -6.949 1.00 62.41 N ATOM 1269 CA GLU A 83 -9.139 32.021 -8.079 1.00 72.23 C ATOM 1270 C GLU A 83 -10.530 31.536 -8.481 1.00 22.31 C ATOM 1271 O GLU A 83 -11.316 32.282 -9.063 1.00 1.44 O ATOM 1272 CB GLU A 83 -8.186 31.913 -9.271 1.00 1.42 C ATOM 1273 CG GLU A 83 -7.899 30.482 -9.694 1.00 3.12 C ATOM 1274 CD GLU A 83 -6.725 30.381 -10.649 1.00 21.43 C ATOM 1275 OE1 GLU A 83 -6.638 31.217 -11.572 1.00 65.43 O ATOM 1276 OE2 GLU A 83 -5.895 29.464 -10.473 1.00 3.23 O ATOM 0 H GLU A 83 -7.756 30.759 -7.135 1.00 62.41 H new ATOM 0 HA GLU A 83 -9.210 33.065 -7.774 1.00 72.23 H new ATOM 0 HB2 GLU A 83 -8.612 32.454 -10.116 1.00 1.42 H new ATOM 0 HB3 GLU A 83 -7.246 32.404 -9.019 1.00 1.42 H new ATOM 0 HG2 GLU A 83 -7.696 29.879 -8.809 1.00 3.12 H new ATOM 0 HG3 GLU A 83 -8.786 30.062 -10.169 1.00 3.12 H new ATOM 1283 N PHE A 84 -10.825 30.278 -8.167 1.00 25.00 N ATOM 1284 CA PHE A 84 -12.118 29.691 -8.496 1.00 12.54 C ATOM 1285 C PHE A 84 -13.071 29.774 -7.306 1.00 72.15 C ATOM 1286 O PHE A 84 -14.289 29.705 -7.466 1.00 23.30 O ATOM 1287 CB PHE A 84 -11.947 28.234 -8.926 1.00 30.30 C ATOM 1288 CG PHE A 84 -10.843 28.029 -9.923 1.00 25.42 C ATOM 1289 CD1 PHE A 84 -10.817 28.750 -11.106 1.00 33.13 C ATOM 1290 CD2 PHE A 84 -9.829 27.116 -9.678 1.00 33.12 C ATOM 1291 CE1 PHE A 84 -9.803 28.563 -12.026 1.00 42.41 C ATOM 1292 CE2 PHE A 84 -8.812 26.924 -10.593 1.00 42.43 C ATOM 1293 CZ PHE A 84 -8.798 27.650 -11.768 1.00 71.05 C ATOM 0 H PHE A 84 -10.186 29.646 -7.685 1.00 25.00 H new ATOM 0 HA PHE A 84 -12.546 30.258 -9.323 1.00 12.54 H new ATOM 0 HB2 PHE A 84 -11.748 27.624 -8.045 1.00 30.30 H new ATOM 0 HB3 PHE A 84 -12.884 27.878 -9.355 1.00 30.30 H new ATOM 0 HD1 PHE A 84 -11.598 29.467 -11.311 1.00 33.13 H new ATOM 0 HD2 PHE A 84 -9.834 26.547 -8.760 1.00 33.12 H new ATOM 0 HE1 PHE A 84 -9.796 29.130 -12.945 1.00 42.41 H new ATOM 0 HE2 PHE A 84 -8.030 26.208 -10.390 1.00 42.43 H new ATOM 0 HZ PHE A 84 -8.003 27.504 -12.484 1.00 71.05 H new ATOM 1303 N GLY A 85 -12.506 29.921 -6.112 1.00 25.40 N ATOM 1304 CA GLY A 85 -13.319 30.009 -4.913 1.00 5.34 C ATOM 1305 C GLY A 85 -12.927 28.980 -3.870 1.00 11.20 C ATOM 1306 O GLY A 85 -11.785 28.524 -3.836 1.00 4.22 O ATOM 0 H GLY A 85 -11.500 29.981 -5.953 1.00 25.40 H new ATOM 0 HA2 GLY A 85 -13.225 31.008 -4.487 1.00 5.34 H new ATOM 0 HA3 GLY A 85 -14.367 29.872 -5.178 1.00 5.34 H new ATOM 1310 N TYR A 86 -13.878 28.614 -3.017 1.00 43.13 N ATOM 1311 CA TYR A 86 -13.626 27.635 -1.966 1.00 53.32 C ATOM 1312 C TYR A 86 -13.630 26.218 -2.530 1.00 61.44 C ATOM 1313 O TYR A 86 -14.618 25.773 -3.115 1.00 61.44 O ATOM 1314 CB TYR A 86 -14.677 27.760 -0.862 1.00 65.11 C ATOM 1315 CG TYR A 86 -14.617 29.073 -0.114 1.00 24.30 C ATOM 1316 CD1 TYR A 86 -13.457 29.467 0.544 1.00 51.55 C ATOM 1317 CD2 TYR A 86 -15.718 29.918 -0.063 1.00 31.33 C ATOM 1318 CE1 TYR A 86 -13.397 30.666 1.229 1.00 25.41 C ATOM 1319 CE2 TYR A 86 -15.666 31.118 0.619 1.00 11.31 C ATOM 1320 CZ TYR A 86 -14.503 31.488 1.263 1.00 34.30 C ATOM 1321 OH TYR A 86 -14.449 32.681 1.945 1.00 51.25 O ATOM 0 H TYR A 86 -14.830 28.980 -3.033 1.00 43.13 H new ATOM 0 HA TYR A 86 -12.641 27.836 -1.545 1.00 53.32 H new ATOM 0 HB2 TYR A 86 -15.668 27.647 -1.301 1.00 65.11 H new ATOM 0 HB3 TYR A 86 -14.547 26.942 -0.154 1.00 65.11 H new ATOM 0 HD1 TYR A 86 -12.589 28.825 0.519 1.00 51.55 H new ATOM 0 HD2 TYR A 86 -16.630 29.632 -0.565 1.00 31.33 H new ATOM 0 HE1 TYR A 86 -12.488 30.957 1.735 1.00 25.41 H new ATOM 0 HE2 TYR A 86 -16.531 31.764 0.648 1.00 11.31 H new ATOM 0 HH TYR A 86 -15.311 33.140 1.869 1.00 51.25 H new ATOM 1331 N HIS A 87 -12.519 25.513 -2.348 1.00 64.41 N ATOM 1332 CA HIS A 87 -12.393 24.144 -2.837 1.00 44.43 C ATOM 1333 C HIS A 87 -12.636 23.141 -1.713 1.00 51.32 C ATOM 1334 O HIS A 87 -11.952 23.165 -0.689 1.00 23.02 O ATOM 1335 CB HIS A 87 -11.006 23.922 -3.443 1.00 72.44 C ATOM 1336 CG HIS A 87 -10.801 24.633 -4.745 1.00 2.42 C ATOM 1337 ND1 HIS A 87 -10.998 24.033 -5.971 1.00 12.43 N ATOM 1338 CD2 HIS A 87 -10.416 25.904 -5.008 1.00 73.02 C ATOM 1339 CE1 HIS A 87 -10.741 24.903 -6.931 1.00 62.32 C ATOM 1340 NE2 HIS A 87 -10.385 26.047 -6.374 1.00 34.31 N ATOM 0 H HIS A 87 -11.693 25.866 -1.866 1.00 64.41 H new ATOM 0 HA HIS A 87 -13.148 23.989 -3.608 1.00 44.43 H new ATOM 0 HB2 HIS A 87 -10.250 24.257 -2.733 1.00 72.44 H new ATOM 0 HB3 HIS A 87 -10.851 22.854 -3.593 1.00 72.44 H new ATOM 0 HD1 HIS A 87 -11.296 23.068 -6.114 1.00 12.43 H new ATOM 0 HD2 HIS A 87 -10.177 26.664 -4.279 1.00 73.02 H new ATOM 0 HE1 HIS A 87 -10.810 24.712 -7.992 1.00 62.32 H new ATOM 1348 N ILE A 88 -13.613 22.263 -1.911 1.00 13.10 N ATOM 1349 CA ILE A 88 -13.946 21.253 -0.914 1.00 43.13 C ATOM 1350 C ILE A 88 -13.588 19.855 -1.409 1.00 70.21 C ATOM 1351 O ILE A 88 -14.428 19.151 -1.971 1.00 45.33 O ATOM 1352 CB ILE A 88 -15.442 21.290 -0.552 1.00 50.53 C ATOM 1353 CG1 ILE A 88 -15.820 22.664 0.004 1.00 3.24 C ATOM 1354 CG2 ILE A 88 -15.771 20.196 0.453 1.00 52.22 C ATOM 1355 CD1 ILE A 88 -15.129 22.999 1.308 1.00 70.33 C ATOM 0 H ILE A 88 -14.188 22.230 -2.753 1.00 13.10 H new ATOM 0 HA ILE A 88 -13.360 21.483 -0.024 1.00 43.13 H new ATOM 0 HB ILE A 88 -16.025 21.112 -1.456 1.00 50.53 H new ATOM 0 HG12 ILE A 88 -15.573 23.426 -0.735 1.00 3.24 H new ATOM 0 HG13 ILE A 88 -16.899 22.702 0.154 1.00 3.24 H new ATOM 0 HG21 ILE A 88 -16.832 20.235 0.699 1.00 52.22 H new ATOM 0 HG22 ILE A 88 -15.534 19.223 0.022 1.00 52.22 H new ATOM 0 HG23 ILE A 88 -15.183 20.345 1.359 1.00 52.22 H new ATOM 0 HD11 ILE A 88 -15.444 23.987 1.643 1.00 70.33 H new ATOM 0 HD12 ILE A 88 -15.395 22.258 2.062 1.00 70.33 H new ATOM 0 HD13 ILE A 88 -14.049 22.993 1.159 1.00 70.33 H new ATOM 1367 N ILE A 89 -12.338 19.459 -1.193 1.00 13.20 N ATOM 1368 CA ILE A 89 -11.871 18.144 -1.613 1.00 62.13 C ATOM 1369 C ILE A 89 -12.244 17.076 -0.591 1.00 70.45 C ATOM 1370 O ILE A 89 -11.977 17.220 0.602 1.00 42.41 O ATOM 1371 CB ILE A 89 -10.346 18.129 -1.821 1.00 65.12 C ATOM 1372 CG1 ILE A 89 -9.905 19.357 -2.621 1.00 72.12 C ATOM 1373 CG2 ILE A 89 -9.919 16.850 -2.527 1.00 11.32 C ATOM 1374 CD1 ILE A 89 -9.263 20.433 -1.773 1.00 73.45 C ATOM 0 H ILE A 89 -11.631 20.030 -0.730 1.00 13.20 H new ATOM 0 HA ILE A 89 -12.361 17.923 -2.561 1.00 62.13 H new ATOM 0 HB ILE A 89 -9.862 18.161 -0.845 1.00 65.12 H new ATOM 0 HG12 ILE A 89 -9.200 19.045 -3.392 1.00 72.12 H new ATOM 0 HG13 ILE A 89 -10.771 19.777 -3.132 1.00 72.12 H new ATOM 0 HG21 ILE A 89 -8.838 16.855 -2.667 1.00 11.32 H new ATOM 0 HG22 ILE A 89 -10.203 15.989 -1.923 1.00 11.32 H new ATOM 0 HG23 ILE A 89 -10.410 16.789 -3.498 1.00 11.32 H new ATOM 0 HD11 ILE A 89 -8.976 21.272 -2.406 1.00 73.45 H new ATOM 0 HD12 ILE A 89 -9.972 20.774 -1.019 1.00 73.45 H new ATOM 0 HD13 ILE A 89 -8.377 20.029 -1.282 1.00 73.45 H new ATOM 1386 N LYS A 90 -12.862 15.999 -1.068 1.00 4.40 N ATOM 1387 CA LYS A 90 -13.269 14.903 -0.198 1.00 31.12 C ATOM 1388 C LYS A 90 -12.800 13.562 -0.754 1.00 50.34 C ATOM 1389 O LYS A 90 -13.150 13.188 -1.873 1.00 72.13 O ATOM 1390 CB LYS A 90 -14.791 14.894 -0.033 1.00 61.35 C ATOM 1391 CG LYS A 90 -15.299 13.776 0.861 1.00 12.14 C ATOM 1392 CD LYS A 90 -16.772 13.492 0.616 1.00 10.50 C ATOM 1393 CE LYS A 90 -17.163 12.108 1.112 1.00 3.34 C ATOM 1394 NZ LYS A 90 -18.489 11.684 0.583 1.00 45.13 N ATOM 0 H LYS A 90 -13.091 15.863 -2.053 1.00 4.40 H new ATOM 0 HA LYS A 90 -12.804 15.055 0.776 1.00 31.12 H new ATOM 0 HB2 LYS A 90 -15.109 15.851 0.380 1.00 61.35 H new ATOM 0 HB3 LYS A 90 -15.254 14.801 -1.015 1.00 61.35 H new ATOM 0 HG2 LYS A 90 -14.718 12.872 0.680 1.00 12.14 H new ATOM 0 HG3 LYS A 90 -15.149 14.048 1.906 1.00 12.14 H new ATOM 0 HD2 LYS A 90 -17.378 14.245 1.120 1.00 10.50 H new ATOM 0 HD3 LYS A 90 -16.987 13.572 -0.450 1.00 10.50 H new ATOM 0 HE2 LYS A 90 -16.404 11.386 0.811 1.00 3.34 H new ATOM 0 HE3 LYS A 90 -17.189 12.107 2.202 1.00 3.34 H new ATOM 0 HZ1 LYS A 90 -18.712 10.729 0.930 1.00 45.13 H new ATOM 0 HZ2 LYS A 90 -19.220 12.349 0.906 1.00 45.13 H new ATOM 0 HZ3 LYS A 90 -18.462 11.677 -0.457 1.00 45.13 H new ATOM 1408 N ARG A 91 -12.006 12.845 0.034 1.00 71.25 N ATOM 1409 CA ARG A 91 -11.489 11.547 -0.381 1.00 1.10 C ATOM 1410 C ARG A 91 -12.606 10.509 -0.437 1.00 53.43 C ATOM 1411 O ARG A 91 -13.547 10.551 0.355 1.00 11.53 O ATOM 1412 CB ARG A 91 -10.392 11.080 0.579 1.00 53.33 C ATOM 1413 CG ARG A 91 -9.833 9.707 0.243 1.00 34.01 C ATOM 1414 CD ARG A 91 -8.401 9.555 0.730 1.00 64.02 C ATOM 1415 NE ARG A 91 -8.028 8.153 0.905 1.00 41.42 N ATOM 1416 CZ ARG A 91 -6.771 7.730 0.967 1.00 12.14 C ATOM 1417 NH1 ARG A 91 -5.771 8.595 0.872 1.00 63.02 N ATOM 1418 NH2 ARG A 91 -6.512 6.438 1.129 1.00 53.24 N ATOM 0 H ARG A 91 -11.707 13.141 0.963 1.00 71.25 H new ATOM 0 HA ARG A 91 -11.067 11.655 -1.380 1.00 1.10 H new ATOM 0 HB2 ARG A 91 -9.579 11.806 0.569 1.00 53.33 H new ATOM 0 HB3 ARG A 91 -10.792 11.062 1.593 1.00 53.33 H new ATOM 0 HG2 ARG A 91 -10.457 8.938 0.698 1.00 34.01 H new ATOM 0 HG3 ARG A 91 -9.870 9.551 -0.835 1.00 34.01 H new ATOM 0 HD2 ARG A 91 -7.724 10.024 0.016 1.00 64.02 H new ATOM 0 HD3 ARG A 91 -8.282 10.083 1.676 1.00 64.02 H new ATOM 0 HE ARG A 91 -8.774 7.462 0.984 1.00 41.42 H new ATOM 0 HH11 ARG A 91 -5.966 9.589 0.751 1.00 63.02 H new ATOM 0 HH12 ARG A 91 -4.806 8.267 0.920 1.00 63.02 H new ATOM 0 HH21 ARG A 91 -7.279 5.770 1.206 1.00 53.24 H new ATOM 0 HH22 ARG A 91 -5.546 6.114 1.177 1.00 53.24 H new ATOM 1432 N PHE A 92 -12.496 9.578 -1.378 1.00 51.15 N ATOM 1433 CA PHE A 92 -13.497 8.530 -1.539 1.00 53.13 C ATOM 1434 C PHE A 92 -12.867 7.149 -1.396 1.00 25.02 C ATOM 1435 O PHE A 92 -13.509 6.205 -0.936 1.00 53.12 O ATOM 1436 CB PHE A 92 -14.180 8.652 -2.904 1.00 10.21 C ATOM 1437 CG PHE A 92 -15.369 9.570 -2.899 1.00 51.53 C ATOM 1438 CD1 PHE A 92 -15.248 10.881 -2.467 1.00 42.32 C ATOM 1439 CD2 PHE A 92 -16.608 9.122 -3.327 1.00 50.42 C ATOM 1440 CE1 PHE A 92 -16.341 11.727 -2.461 1.00 5.11 C ATOM 1441 CE2 PHE A 92 -17.705 9.964 -3.324 1.00 33.14 C ATOM 1442 CZ PHE A 92 -17.570 11.268 -2.891 1.00 10.32 C ATOM 0 H PHE A 92 -11.723 9.528 -2.041 1.00 51.15 H new ATOM 0 HA PHE A 92 -14.243 8.653 -0.754 1.00 53.13 H new ATOM 0 HB2 PHE A 92 -13.455 9.013 -3.633 1.00 10.21 H new ATOM 0 HB3 PHE A 92 -14.497 7.662 -3.233 1.00 10.21 H new ATOM 0 HD1 PHE A 92 -14.289 11.246 -2.131 1.00 42.32 H new ATOM 0 HD2 PHE A 92 -16.719 8.103 -3.667 1.00 50.42 H new ATOM 0 HE1 PHE A 92 -16.234 12.746 -2.120 1.00 5.11 H new ATOM 0 HE2 PHE A 92 -18.666 9.602 -3.660 1.00 33.14 H new ATOM 0 HZ PHE A 92 -18.425 11.928 -2.889 1.00 10.32 H new ATOM 1452 N GLY A 93 -11.603 7.037 -1.793 1.00 45.13 N ATOM 1453 CA GLY A 93 -10.905 5.767 -1.701 1.00 53.41 C ATOM 1454 C GLY A 93 -10.981 5.164 -0.313 1.00 62.20 C ATOM 1455 O GLY A 93 -11.638 4.143 -0.108 1.00 42.50 O ATOM 0 H GLY A 93 -11.050 7.803 -2.177 1.00 45.13 H new ATOM 0 HA2 GLY A 93 -11.331 5.069 -2.421 1.00 53.41 H new ATOM 0 HA3 GLY A 93 -9.860 5.910 -1.975 1.00 53.41 H new TER 1459 GLY A 93