USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 999 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00917 (180deg=-0.184) USER MOD Single : A 2 SER OG : rot 115:sc= 0.557 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.488 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.744 K(o=-0.74,f=-2.2!) USER MOD Single : A 12 CYS SG : rot 43:sc= -2.85! USER MOD Single : A 15 THR OG1 : rot 160:sc= -0.162 USER MOD Single : A 16 THR OG1 : rot 42:sc= 0.0593 USER MOD Single : A 17 GLN : amide:sc= 0.205 X(o=0.2,f=-0.14) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -2.36! C(o=-2.4!,f=-3.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -7.44! K(o=-7.4!,f=-0.74) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0.594 K(o=0.59,f=-0.96) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.145 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 154:sc= 1.19 (180deg=0.839) USER MOD Single : A 64 MET CE :methyl -137:sc= -0.29 (180deg=-1.93!) USER MOD Single : A 79 SER OG : rot 43:sc= 0.557 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.355 K(o=0.35,f=-1.3) USER MOD Single : A 84 MET CE :methyl -160:sc= -4.06! (180deg=-6.25!) USER MOD Single : A 89 GLN : amide:sc= -1.74 K(o=-1.7,f=-0.53) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -16:sc= -1.03! USER MOD Single : A 106 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0082) USER MOD Single : A 107 HIS : no HD1:sc= -0.876 K(o=-0.88,f=-3.2!) USER MOD Single : A 112 CYS SG : rot -45:sc= -1.23! USER MOD Single : A 116 LYS NZ :NH3+ 179:sc= 0.342 (180deg=0.335) USER MOD Single : A 118 HIS : no HE2:sc= -2.65! C(o=-0.45!,f=-11!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.444 12.390 -19.359 1.00 0.00 N ATOM 2 CA MET A 1 -5.615 11.304 -18.788 1.00 0.00 C ATOM 3 C MET A 1 -6.272 10.738 -17.533 1.00 0.00 C ATOM 4 O MET A 1 -6.219 9.533 -17.278 1.00 0.00 O ATOM 5 CB MET A 1 -4.210 11.825 -18.456 1.00 0.00 C ATOM 6 CG MET A 1 -3.303 10.788 -17.809 1.00 0.00 C ATOM 7 SD MET A 1 -1.716 11.472 -17.287 1.00 0.00 S ATOM 8 CE MET A 1 -0.952 10.027 -16.553 1.00 0.00 C ATOM 0 H1 MET A 1 -6.098 12.627 -20.311 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.434 12.077 -19.418 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.383 13.231 -18.750 1.00 0.00 H new ATOM 0 HA MET A 1 -5.530 10.509 -19.528 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.740 12.183 -19.372 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.300 12.682 -17.788 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.810 10.358 -16.945 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.129 9.975 -18.514 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.039 10.288 -16.182 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.567 9.671 -15.726 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.863 9.242 -17.304 1.00 0.00 H new ATOM 20 N SER A 2 -6.902 11.603 -16.754 1.00 0.00 N ATOM 21 CA SER A 2 -7.513 11.190 -15.505 1.00 0.00 C ATOM 22 C SER A 2 -8.973 11.636 -15.434 1.00 0.00 C ATOM 23 O SER A 2 -9.449 12.375 -16.299 1.00 0.00 O ATOM 24 CB SER A 2 -6.710 11.761 -14.337 1.00 0.00 C ATOM 25 OG SER A 2 -6.559 13.166 -14.456 1.00 0.00 O ATOM 0 H SER A 2 -7.003 12.596 -16.967 1.00 0.00 H new ATOM 0 HA SER A 2 -7.503 10.102 -15.447 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.211 11.525 -13.398 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.728 11.289 -14.302 1.00 0.00 H new ATOM 0 HG SER A 2 -7.030 13.609 -13.720 1.00 0.00 H new ATOM 31 N THR A 3 -9.678 11.179 -14.408 1.00 0.00 N ATOM 32 CA THR A 3 -11.079 11.520 -14.232 1.00 0.00 C ATOM 33 C THR A 3 -11.457 11.449 -12.754 1.00 0.00 C ATOM 34 O THR A 3 -10.983 10.562 -12.040 1.00 0.00 O ATOM 35 CB THR A 3 -11.990 10.573 -15.057 1.00 0.00 C ATOM 36 OG1 THR A 3 -13.353 11.025 -15.024 1.00 0.00 O ATOM 37 CG2 THR A 3 -11.920 9.143 -14.534 1.00 0.00 C ATOM 0 H THR A 3 -9.299 10.569 -13.684 1.00 0.00 H new ATOM 0 HA THR A 3 -11.227 12.538 -14.592 1.00 0.00 H new ATOM 0 HB THR A 3 -11.628 10.588 -16.085 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.912 10.417 -15.551 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.569 8.504 -15.133 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.894 8.781 -14.600 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.247 9.119 -13.494 1.00 0.00 H new ATOM 45 N THR A 4 -12.284 12.409 -12.313 1.00 0.00 N ATOM 46 CA THR A 4 -12.828 12.456 -10.947 1.00 0.00 C ATOM 47 C THR A 4 -11.780 12.063 -9.892 1.00 0.00 C ATOM 48 O THR A 4 -10.642 12.528 -9.938 1.00 0.00 O ATOM 49 CB THR A 4 -14.134 11.600 -10.831 1.00 0.00 C ATOM 50 OG1 THR A 4 -14.726 11.751 -9.530 1.00 0.00 O ATOM 51 CG2 THR A 4 -13.894 10.116 -11.112 1.00 0.00 C ATOM 0 H THR A 4 -12.597 13.182 -12.900 1.00 0.00 H new ATOM 0 HA THR A 4 -13.097 13.491 -10.738 1.00 0.00 H new ATOM 0 HB THR A 4 -14.816 11.975 -11.594 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.542 11.210 -9.477 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.833 9.571 -11.017 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.505 9.995 -12.123 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.172 9.722 -10.396 1.00 0.00 H new ATOM 59 N ALA A 5 -12.191 11.272 -8.920 1.00 0.00 N ATOM 60 CA ALA A 5 -11.284 10.720 -7.926 1.00 0.00 C ATOM 61 C ALA A 5 -10.159 9.929 -8.595 1.00 0.00 C ATOM 62 O ALA A 5 -10.399 8.896 -9.222 1.00 0.00 O ATOM 63 CB ALA A 5 -12.058 9.831 -6.965 1.00 0.00 C ATOM 0 H ALA A 5 -13.164 10.992 -8.795 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.833 11.542 -7.370 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -11.376 9.419 -6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -12.828 10.419 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -12.526 9.017 -7.519 1.00 0.00 H new ATOM 69 N TYR A 6 -8.935 10.416 -8.450 1.00 0.00 N ATOM 70 CA TYR A 6 -7.784 9.802 -9.097 1.00 0.00 C ATOM 71 C TYR A 6 -7.226 8.698 -8.213 1.00 0.00 C ATOM 72 O TYR A 6 -7.065 8.897 -7.015 1.00 0.00 O ATOM 73 CB TYR A 6 -6.706 10.853 -9.367 1.00 0.00 C ATOM 74 CG TYR A 6 -7.247 12.127 -9.974 1.00 0.00 C ATOM 75 CD1 TYR A 6 -7.837 12.126 -11.230 1.00 0.00 C ATOM 76 CD2 TYR A 6 -7.172 13.330 -9.285 1.00 0.00 C ATOM 77 CE1 TYR A 6 -8.337 13.291 -11.783 1.00 0.00 C ATOM 78 CE2 TYR A 6 -7.671 14.498 -9.831 1.00 0.00 C ATOM 79 CZ TYR A 6 -8.252 14.472 -11.080 1.00 0.00 C ATOM 80 OH TYR A 6 -8.749 15.633 -11.627 1.00 0.00 O ATOM 0 H TYR A 6 -8.713 11.238 -7.888 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.099 9.373 -10.048 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.200 11.092 -8.432 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.957 10.430 -10.036 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.907 11.202 -11.784 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.716 13.354 -8.306 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.792 13.274 -12.762 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.606 15.426 -9.282 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.611 16.375 -11.002 1.00 0.00 H new ATOM 90 N GLN A 7 -6.937 7.542 -8.798 1.00 0.00 N ATOM 91 CA GLN A 7 -6.460 6.399 -8.027 1.00 0.00 C ATOM 92 C GLN A 7 -4.961 6.177 -8.244 1.00 0.00 C ATOM 93 O GLN A 7 -4.550 5.535 -9.213 1.00 0.00 O ATOM 94 CB GLN A 7 -7.251 5.141 -8.404 1.00 0.00 C ATOM 95 CG GLN A 7 -6.945 3.937 -7.523 1.00 0.00 C ATOM 96 CD GLN A 7 -7.842 2.749 -7.809 1.00 0.00 C ATOM 97 OE1 GLN A 7 -8.153 1.963 -6.916 1.00 0.00 O ATOM 98 NE2 GLN A 7 -8.262 2.600 -9.057 1.00 0.00 N ATOM 0 H GLN A 7 -7.024 7.371 -9.800 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.617 6.609 -6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.317 5.362 -8.345 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.036 4.885 -9.441 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -5.905 3.643 -7.668 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.053 4.223 -6.477 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -7.984 3.272 -9.772 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.863 1.813 -9.302 1.00 0.00 H new ATOM 107 N PRO A 8 -4.130 6.742 -7.353 1.00 0.00 N ATOM 108 CA PRO A 8 -2.683 6.590 -7.402 1.00 0.00 C ATOM 109 C PRO A 8 -2.206 5.341 -6.665 1.00 0.00 C ATOM 110 O PRO A 8 -1.321 4.626 -7.142 1.00 0.00 O ATOM 111 CB PRO A 8 -2.164 7.854 -6.702 1.00 0.00 C ATOM 112 CG PRO A 8 -3.357 8.530 -6.092 1.00 0.00 C ATOM 113 CD PRO A 8 -4.527 7.594 -6.236 1.00 0.00 C ATOM 0 HA PRO A 8 -2.322 6.475 -8.424 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.430 7.599 -5.937 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.667 8.514 -7.413 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.174 8.757 -5.042 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.559 9.477 -6.592 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.696 7.016 -5.327 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.451 8.132 -6.447 1.00 0.00 H new ATOM 121 N ILE A 9 -2.801 5.087 -5.502 1.00 0.00 N ATOM 122 CA ILE A 9 -2.436 3.947 -4.671 1.00 0.00 C ATOM 123 C ILE A 9 -3.462 2.830 -4.864 1.00 0.00 C ATOM 124 O ILE A 9 -4.647 3.103 -5.047 1.00 0.00 O ATOM 125 CB ILE A 9 -2.347 4.323 -3.164 1.00 0.00 C ATOM 126 CG1 ILE A 9 -1.523 5.600 -2.945 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.723 3.185 -2.380 1.00 0.00 C ATOM 128 CD1 ILE A 9 -2.308 6.883 -3.110 1.00 0.00 C ATOM 0 H ILE A 9 -3.546 5.664 -5.112 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.447 3.611 -4.982 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.362 4.506 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.096 5.575 -1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.689 5.605 -3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.665 3.458 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.334 2.289 -2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.720 2.989 -2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.651 7.736 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.713 6.934 -4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.126 6.904 -2.390 1.00 0.00 H new ATOM 140 N ALA A 10 -3.008 1.584 -4.817 1.00 0.00 N ATOM 141 CA ALA A 10 -3.856 0.443 -5.144 1.00 0.00 C ATOM 142 C ALA A 10 -4.884 0.168 -4.050 1.00 0.00 C ATOM 143 O ALA A 10 -6.071 0.436 -4.223 1.00 0.00 O ATOM 144 CB ALA A 10 -2.996 -0.788 -5.381 1.00 0.00 C ATOM 0 H ALA A 10 -2.054 1.337 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.405 0.684 -6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.635 -1.637 -5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.311 -0.600 -6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.424 -1.011 -4.480 1.00 0.00 H new ATOM 150 N GLU A 11 -4.415 -0.366 -2.930 1.00 0.00 N ATOM 151 CA GLU A 11 -5.277 -0.707 -1.796 1.00 0.00 C ATOM 152 C GLU A 11 -6.011 0.521 -1.290 1.00 0.00 C ATOM 153 O GLU A 11 -7.233 0.495 -1.118 1.00 0.00 O ATOM 154 CB GLU A 11 -4.466 -1.325 -0.645 1.00 0.00 C ATOM 155 CG GLU A 11 -2.966 -1.427 -0.895 1.00 0.00 C ATOM 156 CD GLU A 11 -2.307 -0.083 -1.118 1.00 0.00 C ATOM 157 OE1 GLU A 11 -2.376 0.774 -0.217 1.00 0.00 O ATOM 158 OE2 GLU A 11 -1.756 0.121 -2.219 1.00 0.00 O ATOM 0 H GLU A 11 -3.429 -0.576 -2.778 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.002 -1.441 -2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.629 -0.731 0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.854 -2.323 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.495 -1.919 -0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.791 -2.059 -1.766 1.00 0.00 H new ATOM 165 N CYS A 12 -5.257 1.589 -1.060 1.00 0.00 N ATOM 166 CA CYS A 12 -5.819 2.843 -0.589 1.00 0.00 C ATOM 167 C CYS A 12 -6.931 3.326 -1.517 1.00 0.00 C ATOM 168 O CYS A 12 -8.014 3.696 -1.064 1.00 0.00 O ATOM 169 CB CYS A 12 -4.718 3.894 -0.485 1.00 0.00 C ATOM 170 SG CYS A 12 -3.351 3.429 0.604 1.00 0.00 S ATOM 0 H CYS A 12 -4.246 1.608 -1.194 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.253 2.681 0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.323 4.090 -1.482 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.154 4.826 -0.125 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.029 2.188 0.391 1.00 0.00 H new ATOM 176 N GLY A 13 -6.671 3.309 -2.816 1.00 0.00 N ATOM 177 CA GLY A 13 -7.697 3.657 -3.769 1.00 0.00 C ATOM 178 C GLY A 13 -7.569 5.068 -4.300 1.00 0.00 C ATOM 179 O GLY A 13 -6.464 5.560 -4.538 1.00 0.00 O ATOM 0 H GLY A 13 -5.770 3.061 -3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.659 2.957 -4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.674 3.540 -3.299 1.00 0.00 H new ATOM 183 N ALA A 14 -8.707 5.723 -4.466 1.00 0.00 N ATOM 184 CA ALA A 14 -8.763 7.007 -5.140 1.00 0.00 C ATOM 185 C ALA A 14 -8.702 8.173 -4.163 1.00 0.00 C ATOM 186 O ALA A 14 -9.107 8.063 -3.004 1.00 0.00 O ATOM 187 CB ALA A 14 -10.023 7.090 -5.985 1.00 0.00 C ATOM 0 H ALA A 14 -9.611 5.381 -4.139 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.886 7.082 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.060 8.056 -6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.016 6.293 -6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.898 6.981 -5.345 1.00 0.00 H new ATOM 193 N THR A 15 -8.179 9.287 -4.646 1.00 0.00 N ATOM 194 CA THR A 15 -8.085 10.505 -3.869 1.00 0.00 C ATOM 195 C THR A 15 -8.749 11.656 -4.620 1.00 0.00 C ATOM 196 O THR A 15 -8.604 11.778 -5.837 1.00 0.00 O ATOM 197 CB THR A 15 -6.615 10.862 -3.577 1.00 0.00 C ATOM 198 OG1 THR A 15 -5.924 9.707 -3.089 1.00 0.00 O ATOM 199 CG2 THR A 15 -6.521 11.985 -2.551 1.00 0.00 C ATOM 0 H THR A 15 -7.807 9.370 -5.592 1.00 0.00 H new ATOM 0 HA THR A 15 -8.598 10.342 -2.921 1.00 0.00 H new ATOM 0 HB THR A 15 -6.154 11.201 -4.505 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.959 9.829 -3.207 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.473 12.218 -2.362 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.027 12.871 -2.934 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.996 11.670 -1.622 1.00 0.00 H new ATOM 207 N THR A 16 -9.475 12.493 -3.893 1.00 0.00 N ATOM 208 CA THR A 16 -10.219 13.595 -4.489 1.00 0.00 C ATOM 209 C THR A 16 -9.364 14.855 -4.645 1.00 0.00 C ATOM 210 O THR A 16 -9.891 15.966 -4.737 1.00 0.00 O ATOM 211 CB THR A 16 -11.452 13.919 -3.630 1.00 0.00 C ATOM 212 OG1 THR A 16 -11.126 13.757 -2.240 1.00 0.00 O ATOM 213 CG2 THR A 16 -12.622 13.018 -3.992 1.00 0.00 C ATOM 0 H THR A 16 -9.565 12.429 -2.879 1.00 0.00 H new ATOM 0 HA THR A 16 -10.526 13.276 -5.485 1.00 0.00 H new ATOM 0 HB THR A 16 -11.744 14.951 -3.822 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.236 14.130 -2.067 1.00 0.00 H new ATOM 0 HG21 THR A 16 -13.481 13.269 -3.369 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.880 13.161 -5.041 1.00 0.00 H new ATOM 0 HG23 THR A 16 -12.345 11.977 -3.825 1.00 0.00 H new ATOM 221 N GLN A 17 -8.048 14.684 -4.698 1.00 0.00 N ATOM 222 CA GLN A 17 -7.146 15.820 -4.843 1.00 0.00 C ATOM 223 C GLN A 17 -6.417 15.748 -6.174 1.00 0.00 C ATOM 224 O GLN A 17 -6.078 14.662 -6.647 1.00 0.00 O ATOM 225 CB GLN A 17 -6.129 15.874 -3.705 1.00 0.00 C ATOM 226 CG GLN A 17 -6.734 15.652 -2.333 1.00 0.00 C ATOM 227 CD GLN A 17 -5.757 15.918 -1.206 1.00 0.00 C ATOM 228 OE1 GLN A 17 -6.153 16.206 -0.080 1.00 0.00 O ATOM 229 NE2 GLN A 17 -4.473 15.870 -1.509 1.00 0.00 N ATOM 0 H GLN A 17 -7.585 13.777 -4.643 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.750 16.727 -4.807 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.362 15.120 -3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.632 16.844 -3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.602 16.301 -2.215 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.092 14.625 -2.262 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.181 15.627 -2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.773 16.076 -0.796 1.00 0.00 H new ATOM 238 N SER A 18 -6.160 16.909 -6.752 1.00 0.00 N ATOM 239 CA SER A 18 -5.569 17.009 -8.083 1.00 0.00 C ATOM 240 C SER A 18 -4.175 16.378 -8.121 1.00 0.00 C ATOM 241 O SER A 18 -3.786 15.769 -9.118 1.00 0.00 O ATOM 242 CB SER A 18 -5.497 18.479 -8.508 1.00 0.00 C ATOM 243 OG SER A 18 -5.140 18.609 -9.875 1.00 0.00 O ATOM 0 H SER A 18 -6.354 17.810 -6.315 1.00 0.00 H new ATOM 0 HA SER A 18 -6.202 16.461 -8.781 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.462 18.956 -8.336 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.768 19.002 -7.889 1.00 0.00 H new ATOM 0 HG SER A 18 -5.104 19.559 -10.115 1.00 0.00 H new ATOM 249 N GLU A 19 -3.445 16.516 -7.018 1.00 0.00 N ATOM 250 CA GLU A 19 -2.084 15.994 -6.894 1.00 0.00 C ATOM 251 C GLU A 19 -2.019 14.512 -7.255 1.00 0.00 C ATOM 252 O GLU A 19 -1.037 14.046 -7.831 1.00 0.00 O ATOM 253 CB GLU A 19 -1.555 16.178 -5.464 1.00 0.00 C ATOM 254 CG GLU A 19 -1.587 17.609 -4.946 1.00 0.00 C ATOM 255 CD GLU A 19 -2.982 18.079 -4.590 1.00 0.00 C ATOM 256 OE1 GLU A 19 -3.444 17.785 -3.473 1.00 0.00 O ATOM 257 OE2 GLU A 19 -3.628 18.733 -5.435 1.00 0.00 O ATOM 0 H GLU A 19 -3.780 16.994 -6.182 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.464 16.558 -7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.141 15.551 -4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.528 15.815 -5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.948 17.685 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.168 18.273 -5.702 1.00 0.00 H new ATOM 264 N ALA A 20 -3.084 13.784 -6.937 1.00 0.00 N ATOM 265 CA ALA A 20 -3.112 12.338 -7.124 1.00 0.00 C ATOM 266 C ALA A 20 -2.943 11.961 -8.596 1.00 0.00 C ATOM 267 O ALA A 20 -2.413 10.898 -8.919 1.00 0.00 O ATOM 268 CB ALA A 20 -4.411 11.769 -6.576 1.00 0.00 C ATOM 0 H ALA A 20 -3.942 14.174 -6.547 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.273 11.909 -6.575 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.424 10.689 -6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.487 11.995 -5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.255 12.215 -7.103 1.00 0.00 H new ATOM 274 N ALA A 21 -3.360 12.863 -9.478 1.00 0.00 N ATOM 275 CA ALA A 21 -3.310 12.632 -10.919 1.00 0.00 C ATOM 276 C ALA A 21 -1.877 12.666 -11.450 1.00 0.00 C ATOM 277 O ALA A 21 -1.648 12.474 -12.644 1.00 0.00 O ATOM 278 CB ALA A 21 -4.166 13.657 -11.647 1.00 0.00 C ATOM 0 H ALA A 21 -3.741 13.772 -9.216 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.707 11.635 -11.107 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.120 13.473 -12.720 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.199 13.574 -11.309 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.794 14.659 -11.434 1.00 0.00 H new ATOM 284 N ALA A 22 -0.921 12.948 -10.572 1.00 0.00 N ATOM 285 CA ALA A 22 0.478 12.988 -10.963 1.00 0.00 C ATOM 286 C ALA A 22 1.359 12.185 -10.002 1.00 0.00 C ATOM 287 O ALA A 22 2.577 12.350 -9.994 1.00 0.00 O ATOM 288 CB ALA A 22 0.956 14.431 -11.041 1.00 0.00 C ATOM 0 H ALA A 22 -1.091 13.152 -9.587 1.00 0.00 H new ATOM 0 HA ALA A 22 0.563 12.527 -11.947 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.005 14.451 -11.335 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.362 14.972 -11.778 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.843 14.905 -10.066 1.00 0.00 H new ATOM 294 N TYR A 23 0.755 11.284 -9.226 1.00 0.00 N ATOM 295 CA TYR A 23 1.512 10.517 -8.227 1.00 0.00 C ATOM 296 C TYR A 23 1.092 9.065 -8.247 1.00 0.00 C ATOM 297 O TYR A 23 1.389 8.299 -7.328 1.00 0.00 O ATOM 298 CB TYR A 23 1.333 11.077 -6.813 1.00 0.00 C ATOM 299 CG TYR A 23 1.957 12.440 -6.605 1.00 0.00 C ATOM 300 CD1 TYR A 23 3.266 12.696 -6.995 1.00 0.00 C ATOM 301 CD2 TYR A 23 1.233 13.469 -6.025 1.00 0.00 C ATOM 302 CE1 TYR A 23 3.834 13.941 -6.809 1.00 0.00 C ATOM 303 CE2 TYR A 23 1.792 14.716 -5.837 1.00 0.00 C ATOM 304 CZ TYR A 23 3.093 14.947 -6.229 1.00 0.00 C ATOM 305 OH TYR A 23 3.653 16.191 -6.047 1.00 0.00 O ATOM 0 H TYR A 23 -0.241 11.067 -9.265 1.00 0.00 H new ATOM 0 HA TYR A 23 2.566 10.601 -8.494 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.268 11.139 -6.590 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.768 10.377 -6.099 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.848 11.909 -7.451 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.214 13.292 -5.715 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.853 14.125 -7.116 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.213 15.508 -5.385 1.00 0.00 H new ATOM 0 HH TYR A 23 2.998 16.786 -5.627 1.00 0.00 H new ATOM 315 N GLN A 24 0.401 8.701 -9.305 1.00 0.00 N ATOM 316 CA GLN A 24 -0.037 7.338 -9.512 1.00 0.00 C ATOM 317 C GLN A 24 1.172 6.417 -9.676 1.00 0.00 C ATOM 318 O GLN A 24 2.172 6.796 -10.293 1.00 0.00 O ATOM 319 CB GLN A 24 -0.966 7.266 -10.733 1.00 0.00 C ATOM 320 CG GLN A 24 -0.309 7.592 -12.075 1.00 0.00 C ATOM 321 CD GLN A 24 0.252 8.997 -12.177 1.00 0.00 C ATOM 322 OE1 GLN A 24 -0.448 9.930 -12.550 1.00 0.00 O ATOM 323 NE2 GLN A 24 1.530 9.151 -11.865 1.00 0.00 N ATOM 0 H GLN A 24 0.126 9.344 -10.048 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.598 7.002 -8.640 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.389 6.263 -10.788 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.797 7.954 -10.578 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.496 6.879 -12.253 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.043 7.449 -12.868 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.080 8.349 -11.558 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.964 10.072 -11.932 1.00 0.00 H new ATOM 332 N LYS A 25 1.060 5.206 -9.149 1.00 0.00 N ATOM 333 CA LYS A 25 2.175 4.268 -9.089 1.00 0.00 C ATOM 334 C LYS A 25 1.645 2.865 -8.860 1.00 0.00 C ATOM 335 O LYS A 25 0.474 2.680 -8.529 1.00 0.00 O ATOM 336 CB LYS A 25 3.135 4.618 -7.932 1.00 0.00 C ATOM 337 CG LYS A 25 4.039 5.820 -8.172 1.00 0.00 C ATOM 338 CD LYS A 25 5.151 5.504 -9.159 1.00 0.00 C ATOM 339 CE LYS A 25 6.091 6.688 -9.330 1.00 0.00 C ATOM 340 NZ LYS A 25 7.278 6.343 -10.156 1.00 0.00 N ATOM 0 H LYS A 25 0.193 4.845 -8.750 1.00 0.00 H new ATOM 0 HA LYS A 25 2.716 4.328 -10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.543 4.803 -7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.761 3.750 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.444 6.652 -8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.474 6.142 -7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.714 4.638 -8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.719 5.237 -10.124 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.553 7.514 -9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.420 7.034 -8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.892 7.178 -10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.807 5.573 -9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.967 6.037 -11.100 1.00 0.00 H new ATOM 354 N ARG A 26 2.501 1.876 -9.048 1.00 0.00 N ATOM 355 CA ARG A 26 2.117 0.495 -8.821 1.00 0.00 C ATOM 356 C ARG A 26 2.322 0.128 -7.362 1.00 0.00 C ATOM 357 O ARG A 26 3.361 -0.411 -6.979 1.00 0.00 O ATOM 358 CB ARG A 26 2.901 -0.460 -9.725 1.00 0.00 C ATOM 359 CG ARG A 26 2.319 -0.622 -11.123 1.00 0.00 C ATOM 360 CD ARG A 26 2.207 0.703 -11.853 1.00 0.00 C ATOM 361 NE ARG A 26 1.729 0.533 -13.224 1.00 0.00 N ATOM 362 CZ ARG A 26 0.752 1.256 -13.777 1.00 0.00 C ATOM 363 NH1 ARG A 26 0.091 2.162 -13.060 1.00 0.00 N ATOM 364 NH2 ARG A 26 0.431 1.057 -15.047 1.00 0.00 N ATOM 0 H ARG A 26 3.465 2.004 -9.357 1.00 0.00 H new ATOM 0 HA ARG A 26 1.060 0.395 -9.069 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.926 -0.100 -9.811 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.946 -1.439 -9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.947 -1.301 -11.700 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.333 -1.081 -11.053 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.527 1.360 -11.311 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.180 1.193 -11.866 1.00 0.00 H new ATOM 0 HE ARG A 26 2.171 -0.186 -13.796 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.329 2.309 -12.079 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.654 2.709 -13.491 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.929 0.356 -15.595 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.314 1.605 -15.477 1.00 0.00 H new ATOM 378 N TRP A 27 1.347 0.481 -6.548 1.00 0.00 N ATOM 379 CA TRP A 27 1.362 0.132 -5.137 1.00 0.00 C ATOM 380 C TRP A 27 0.746 -1.238 -4.932 1.00 0.00 C ATOM 381 O TRP A 27 -0.083 -1.662 -5.731 1.00 0.00 O ATOM 382 CB TRP A 27 0.610 1.182 -4.325 1.00 0.00 C ATOM 383 CG TRP A 27 1.527 2.059 -3.543 1.00 0.00 C ATOM 384 CD1 TRP A 27 2.259 1.686 -2.459 1.00 0.00 C ATOM 385 CD2 TRP A 27 1.812 3.442 -3.773 1.00 0.00 C ATOM 386 NE1 TRP A 27 2.996 2.753 -2.000 1.00 0.00 N ATOM 387 CE2 TRP A 27 2.733 3.845 -2.787 1.00 0.00 C ATOM 388 CE3 TRP A 27 1.378 4.384 -4.715 1.00 0.00 C ATOM 389 CZ2 TRP A 27 3.231 5.143 -2.721 1.00 0.00 C ATOM 390 CZ3 TRP A 27 1.872 5.673 -4.646 1.00 0.00 C ATOM 391 CH2 TRP A 27 2.791 6.042 -3.655 1.00 0.00 C ATOM 0 H TRP A 27 0.528 1.013 -6.840 1.00 0.00 H new ATOM 0 HA TRP A 27 2.396 0.104 -4.792 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.010 1.796 -4.997 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.081 0.685 -3.644 1.00 0.00 H new ATOM 0 HD1 TRP A 27 2.261 0.698 -2.023 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.634 2.735 -1.204 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.670 4.108 -5.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.940 5.431 -1.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.544 6.407 -5.367 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.160 7.057 -3.627 1.00 0.00 H new ATOM 402 N LEU A 28 1.154 -1.929 -3.873 1.00 0.00 N ATOM 403 CA LEU A 28 0.674 -3.280 -3.616 1.00 0.00 C ATOM 404 C LEU A 28 0.895 -3.658 -2.148 1.00 0.00 C ATOM 405 O LEU A 28 1.659 -3.009 -1.434 1.00 0.00 O ATOM 406 CB LEU A 28 1.429 -4.270 -4.524 1.00 0.00 C ATOM 407 CG LEU A 28 0.582 -5.266 -5.335 1.00 0.00 C ATOM 408 CD1 LEU A 28 -0.214 -6.192 -4.435 1.00 0.00 C ATOM 409 CD2 LEU A 28 -0.349 -4.545 -6.290 1.00 0.00 C ATOM 0 H LEU A 28 1.815 -1.576 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.394 -3.322 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.034 -3.693 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.118 -4.841 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 28 1.278 -5.872 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.799 -6.880 -5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.468 -6.759 -3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.885 -5.603 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.934 -5.275 -6.849 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.020 -3.898 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.237 -3.942 -6.984 1.00 0.00 H new ATOM 421 N VAL A 29 0.222 -4.713 -1.711 1.00 0.00 N ATOM 422 CA VAL A 29 0.428 -5.286 -0.388 1.00 0.00 C ATOM 423 C VAL A 29 0.720 -6.775 -0.537 1.00 0.00 C ATOM 424 O VAL A 29 0.090 -7.451 -1.343 1.00 0.00 O ATOM 425 CB VAL A 29 -0.809 -5.092 0.520 1.00 0.00 C ATOM 426 CG1 VAL A 29 -0.629 -5.793 1.857 1.00 0.00 C ATOM 427 CG2 VAL A 29 -1.078 -3.615 0.743 1.00 0.00 C ATOM 0 H VAL A 29 -0.484 -5.197 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 29 1.268 -4.773 0.081 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.664 -5.538 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.516 -5.637 2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.485 -6.861 1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.243 -5.384 2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.952 -3.497 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.213 -3.156 1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.263 -3.130 -0.216 1.00 0.00 H new ATOM 437 N ALA A 30 1.692 -7.276 0.201 1.00 0.00 N ATOM 438 CA ALA A 30 2.017 -8.693 0.154 1.00 0.00 C ATOM 439 C ALA A 30 1.666 -9.363 1.463 1.00 0.00 C ATOM 440 O ALA A 30 1.983 -8.846 2.532 1.00 0.00 O ATOM 441 CB ALA A 30 3.494 -8.894 -0.140 1.00 0.00 C ATOM 0 H ALA A 30 2.269 -6.728 0.838 1.00 0.00 H new ATOM 0 HA ALA A 30 1.431 -9.146 -0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.717 -9.961 -0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.738 -8.444 -1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.088 -8.422 0.642 1.00 0.00 H new ATOM 447 N ASN A 31 1.010 -10.509 1.382 1.00 0.00 N ATOM 448 CA ASN A 31 0.762 -11.312 2.577 1.00 0.00 C ATOM 449 C ASN A 31 2.024 -12.095 2.929 1.00 0.00 C ATOM 450 O ASN A 31 3.026 -11.987 2.222 1.00 0.00 O ATOM 451 CB ASN A 31 -0.439 -12.255 2.395 1.00 0.00 C ATOM 452 CG ASN A 31 -0.190 -13.427 1.453 1.00 0.00 C ATOM 453 OD1 ASN A 31 -0.760 -14.500 1.628 1.00 0.00 O ATOM 454 ND2 ASN A 31 0.647 -13.242 0.447 1.00 0.00 N ATOM 0 H ASN A 31 0.642 -10.904 0.516 1.00 0.00 H new ATOM 0 HA ASN A 31 0.511 -10.641 3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.728 -12.646 3.371 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.284 -11.677 2.019 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.833 -14.002 -0.208 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.107 -12.340 0.326 1.00 0.00 H new ATOM 461 N ASP A 32 1.968 -12.875 4.007 1.00 0.00 N ATOM 462 CA ASP A 32 3.128 -13.628 4.508 1.00 0.00 C ATOM 463 C ASP A 32 3.881 -14.362 3.388 1.00 0.00 C ATOM 464 O ASP A 32 5.111 -14.385 3.370 1.00 0.00 O ATOM 465 CB ASP A 32 2.674 -14.632 5.572 1.00 0.00 C ATOM 466 CG ASP A 32 3.830 -15.355 6.239 1.00 0.00 C ATOM 467 OD1 ASP A 32 4.325 -16.348 5.669 1.00 0.00 O ATOM 468 OD2 ASP A 32 4.236 -14.946 7.347 1.00 0.00 O ATOM 0 H ASP A 32 1.121 -13.006 4.560 1.00 0.00 H new ATOM 0 HA ASP A 32 3.819 -12.906 4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.093 -14.109 6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.011 -15.365 5.112 1.00 0.00 H new ATOM 473 N ALA A 33 3.137 -14.937 2.446 1.00 0.00 N ATOM 474 CA ALA A 33 3.726 -15.736 1.368 1.00 0.00 C ATOM 475 C ALA A 33 4.425 -14.884 0.303 1.00 0.00 C ATOM 476 O ALA A 33 5.055 -15.420 -0.606 1.00 0.00 O ATOM 477 CB ALA A 33 2.653 -16.598 0.713 1.00 0.00 C ATOM 0 H ALA A 33 2.120 -14.865 2.405 1.00 0.00 H new ATOM 0 HA ALA A 33 4.490 -16.365 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.099 -17.189 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.218 -17.265 1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.874 -15.958 0.300 1.00 0.00 H new ATOM 483 N GLY A 34 4.317 -13.567 0.411 1.00 0.00 N ATOM 484 CA GLY A 34 4.885 -12.694 -0.604 1.00 0.00 C ATOM 485 C GLY A 34 3.990 -12.595 -1.826 1.00 0.00 C ATOM 486 O GLY A 34 4.388 -12.080 -2.871 1.00 0.00 O ATOM 0 H GLY A 34 3.849 -13.086 1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.038 -11.700 -0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.864 -13.070 -0.900 1.00 0.00 H new ATOM 490 N GLN A 35 2.772 -13.095 -1.685 1.00 0.00 N ATOM 491 CA GLN A 35 1.799 -13.080 -2.765 1.00 0.00 C ATOM 492 C GLN A 35 1.048 -11.754 -2.797 1.00 0.00 C ATOM 493 O GLN A 35 0.776 -11.158 -1.747 1.00 0.00 O ATOM 494 CB GLN A 35 0.817 -14.245 -2.592 1.00 0.00 C ATOM 495 CG GLN A 35 -0.377 -14.202 -3.532 1.00 0.00 C ATOM 496 CD GLN A 35 -1.341 -15.348 -3.297 1.00 0.00 C ATOM 497 OE1 GLN A 35 -1.209 -16.416 -3.892 1.00 0.00 O ATOM 498 NE2 GLN A 35 -2.317 -15.133 -2.427 1.00 0.00 N ATOM 0 H GLN A 35 2.432 -13.521 -0.823 1.00 0.00 H new ATOM 0 HA GLN A 35 2.326 -13.193 -3.713 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.352 -15.182 -2.746 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.455 -14.250 -1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.903 -13.256 -3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.025 -14.233 -4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.390 -14.232 -1.955 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.995 -15.869 -2.229 1.00 0.00 H new ATOM 507 N TRP A 36 0.739 -11.306 -4.012 1.00 0.00 N ATOM 508 CA TRP A 36 -0.049 -10.099 -4.239 1.00 0.00 C ATOM 509 C TRP A 36 -1.371 -10.139 -3.481 1.00 0.00 C ATOM 510 O TRP A 36 -2.173 -11.062 -3.652 1.00 0.00 O ATOM 511 CB TRP A 36 -0.341 -9.937 -5.734 1.00 0.00 C ATOM 512 CG TRP A 36 0.617 -9.049 -6.464 1.00 0.00 C ATOM 513 CD1 TRP A 36 1.968 -8.979 -6.305 1.00 0.00 C ATOM 514 CD2 TRP A 36 0.286 -8.102 -7.488 1.00 0.00 C ATOM 515 NE1 TRP A 36 2.497 -8.038 -7.157 1.00 0.00 N ATOM 516 CE2 TRP A 36 1.485 -7.491 -7.895 1.00 0.00 C ATOM 517 CE3 TRP A 36 -0.910 -7.710 -8.098 1.00 0.00 C ATOM 518 CZ2 TRP A 36 1.525 -6.512 -8.880 1.00 0.00 C ATOM 519 CZ3 TRP A 36 -0.867 -6.737 -9.080 1.00 0.00 C ATOM 520 CH2 TRP A 36 0.345 -6.148 -9.461 1.00 0.00 C ATOM 0 H TRP A 36 1.030 -11.773 -4.871 1.00 0.00 H new ATOM 0 HA TRP A 36 0.536 -9.255 -3.874 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.331 -10.922 -6.201 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.348 -9.538 -5.853 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.541 -9.576 -5.611 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.484 -7.789 -7.227 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.849 -8.158 -7.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.458 -6.055 -9.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.783 -6.426 -9.561 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.346 -5.390 -10.230 1.00 0.00 H new ATOM 531 N LEU A 37 -1.585 -9.145 -2.635 1.00 0.00 N ATOM 532 CA LEU A 37 -2.860 -8.975 -1.973 1.00 0.00 C ATOM 533 C LEU A 37 -3.596 -7.815 -2.631 1.00 0.00 C ATOM 534 O LEU A 37 -3.033 -6.736 -2.807 1.00 0.00 O ATOM 535 CB LEU A 37 -2.654 -8.696 -0.482 1.00 0.00 C ATOM 536 CG LEU A 37 -3.898 -8.845 0.392 1.00 0.00 C ATOM 537 CD1 LEU A 37 -4.353 -10.298 0.423 1.00 0.00 C ATOM 538 CD2 LEU A 37 -3.617 -8.333 1.797 1.00 0.00 C ATOM 0 H LEU A 37 -0.886 -8.443 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.448 -9.888 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.884 -9.371 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.271 -7.682 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.703 -8.247 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.240 -10.388 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.589 -10.627 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.556 -10.920 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.511 -8.444 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.801 -8.907 2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.337 -7.281 1.752 1.00 0.00 H new ATOM 550 N ASN A 38 -4.851 -8.036 -2.977 1.00 0.00 N ATOM 551 CA ASN A 38 -5.612 -7.057 -3.741 1.00 0.00 C ATOM 552 C ASN A 38 -6.877 -6.639 -3.018 1.00 0.00 C ATOM 553 O ASN A 38 -7.279 -7.257 -2.028 1.00 0.00 O ATOM 554 CB ASN A 38 -5.994 -7.621 -5.113 1.00 0.00 C ATOM 555 CG ASN A 38 -4.984 -7.306 -6.197 1.00 0.00 C ATOM 556 OD1 ASN A 38 -3.788 -7.199 -5.945 1.00 0.00 O ATOM 557 ND2 ASN A 38 -5.469 -7.152 -7.418 1.00 0.00 N ATOM 0 H ASN A 38 -5.367 -8.884 -2.742 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.971 -6.184 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.106 -8.702 -5.034 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.965 -7.221 -5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.841 -6.936 -8.193 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.471 -7.249 -7.585 1.00 0.00 H new ATOM 564 N ARG A 39 -7.523 -5.605 -3.546 1.00 0.00 N ATOM 565 CA ARG A 39 -8.809 -5.158 -3.034 1.00 0.00 C ATOM 566 C ARG A 39 -9.868 -6.183 -3.417 1.00 0.00 C ATOM 567 O ARG A 39 -10.939 -6.247 -2.818 1.00 0.00 O ATOM 568 CB ARG A 39 -9.174 -3.787 -3.614 1.00 0.00 C ATOM 569 CG ARG A 39 -8.033 -2.781 -3.576 1.00 0.00 C ATOM 570 CD ARG A 39 -8.406 -1.486 -4.280 1.00 0.00 C ATOM 571 NE ARG A 39 -8.823 -0.441 -3.344 1.00 0.00 N ATOM 572 CZ ARG A 39 -9.691 0.525 -3.641 1.00 0.00 C ATOM 573 NH1 ARG A 39 -10.264 0.570 -4.840 1.00 0.00 N ATOM 574 NH2 ARG A 39 -9.983 1.454 -2.732 1.00 0.00 N ATOM 0 H ARG A 39 -7.173 -5.059 -4.333 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.754 -5.063 -1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.499 -3.915 -4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.021 -3.382 -3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.768 -2.570 -2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.151 -3.212 -4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.553 -1.132 -4.859 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.213 -1.680 -4.987 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.424 -0.453 -2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.040 -0.138 -5.539 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.928 1.312 -5.061 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.542 1.424 -1.813 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.647 2.195 -2.956 1.00 0.00 H new ATOM 588 N ASP A 40 -9.531 -6.992 -4.422 1.00 0.00 N ATOM 589 CA ASP A 40 -10.395 -8.072 -4.879 1.00 0.00 C ATOM 590 C ASP A 40 -10.427 -9.175 -3.831 1.00 0.00 C ATOM 591 O ASP A 40 -11.392 -9.931 -3.728 1.00 0.00 O ATOM 592 CB ASP A 40 -9.880 -8.656 -6.203 1.00 0.00 C ATOM 593 CG ASP A 40 -9.607 -7.603 -7.259 1.00 0.00 C ATOM 594 OD1 ASP A 40 -10.549 -7.206 -7.975 1.00 0.00 O ATOM 595 OD2 ASP A 40 -8.438 -7.173 -7.387 1.00 0.00 O ATOM 0 H ASP A 40 -8.654 -6.915 -4.938 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.397 -7.671 -5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.964 -9.216 -6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.613 -9.365 -6.588 1.00 0.00 H new ATOM 600 N LEU A 41 -9.355 -9.251 -3.052 1.00 0.00 N ATOM 601 CA LEU A 41 -9.207 -10.281 -2.037 1.00 0.00 C ATOM 602 C LEU A 41 -9.679 -9.767 -0.685 1.00 0.00 C ATOM 603 O LEU A 41 -10.434 -10.435 0.020 1.00 0.00 O ATOM 604 CB LEU A 41 -7.743 -10.725 -1.947 1.00 0.00 C ATOM 605 CG LEU A 41 -7.147 -11.287 -3.241 1.00 0.00 C ATOM 606 CD1 LEU A 41 -5.664 -11.583 -3.065 1.00 0.00 C ATOM 607 CD2 LEU A 41 -7.897 -12.539 -3.673 1.00 0.00 C ATOM 0 H LEU A 41 -8.569 -8.603 -3.107 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.821 -11.136 -2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.141 -9.873 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.658 -11.483 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.254 -10.536 -4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.260 -11.981 -3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.138 -10.664 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.531 -12.315 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.460 -12.925 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.823 -13.295 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.945 -12.294 -3.843 1.00 0.00 H new ATOM 619 N CYS A 42 -9.231 -8.575 -0.328 1.00 0.00 N ATOM 620 CA CYS A 42 -9.599 -7.979 0.943 1.00 0.00 C ATOM 621 C CYS A 42 -10.215 -6.599 0.739 1.00 0.00 C ATOM 622 O CYS A 42 -9.501 -5.610 0.559 1.00 0.00 O ATOM 623 CB CYS A 42 -8.374 -7.887 1.858 1.00 0.00 C ATOM 624 SG CYS A 42 -7.649 -9.490 2.282 1.00 0.00 S ATOM 0 H CYS A 42 -8.612 -8.002 -0.901 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.346 -8.616 1.417 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.615 -7.274 1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.657 -7.374 2.777 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.620 -9.310 3.055 1.00 0.00 H new ATOM 630 N PRO A 43 -11.556 -6.519 0.752 1.00 0.00 N ATOM 631 CA PRO A 43 -12.280 -5.253 0.595 1.00 0.00 C ATOM 632 C PRO A 43 -11.979 -4.286 1.737 1.00 0.00 C ATOM 633 O PRO A 43 -11.971 -3.069 1.551 1.00 0.00 O ATOM 634 CB PRO A 43 -13.760 -5.665 0.613 1.00 0.00 C ATOM 635 CG PRO A 43 -13.761 -7.130 0.335 1.00 0.00 C ATOM 636 CD PRO A 43 -12.475 -7.657 0.904 1.00 0.00 C ATOM 0 HA PRO A 43 -11.993 -4.729 -0.317 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.218 -5.447 1.578 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.330 -5.121 -0.140 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.621 -7.615 0.798 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.823 -7.324 -0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.586 -7.950 1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.124 -8.535 0.362 1.00 0.00 H new ATOM 644 N ARG A 44 -11.713 -4.844 2.915 1.00 0.00 N ATOM 645 CA ARG A 44 -11.347 -4.049 4.082 1.00 0.00 C ATOM 646 C ARG A 44 -10.069 -3.257 3.824 1.00 0.00 C ATOM 647 O ARG A 44 -9.882 -2.165 4.357 1.00 0.00 O ATOM 648 CB ARG A 44 -11.162 -4.954 5.300 1.00 0.00 C ATOM 649 CG ARG A 44 -12.462 -5.529 5.833 1.00 0.00 C ATOM 650 CD ARG A 44 -12.222 -6.498 6.980 1.00 0.00 C ATOM 651 NE ARG A 44 -13.469 -6.862 7.647 1.00 0.00 N ATOM 652 CZ ARG A 44 -13.768 -8.090 8.065 1.00 0.00 C ATOM 653 NH1 ARG A 44 -12.936 -9.102 7.837 1.00 0.00 N ATOM 654 NH2 ARG A 44 -14.909 -8.307 8.707 1.00 0.00 N ATOM 0 H ARG A 44 -11.745 -5.849 3.086 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.155 -3.344 4.279 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.494 -5.773 5.035 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.673 -4.387 6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.107 -4.718 6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.990 -6.041 5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.735 -7.397 6.602 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.541 -6.047 7.702 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.157 -6.126 7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.061 -8.940 7.338 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -13.173 -10.040 8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.553 -7.535 8.878 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -15.142 -9.246 9.029 1.00 0.00 H new ATOM 668 N LEU A 45 -9.202 -3.804 2.985 1.00 0.00 N ATOM 669 CA LEU A 45 -7.950 -3.145 2.644 1.00 0.00 C ATOM 670 C LEU A 45 -8.212 -1.956 1.728 1.00 0.00 C ATOM 671 O LEU A 45 -7.473 -0.979 1.741 1.00 0.00 O ATOM 672 CB LEU A 45 -7.002 -4.153 1.980 1.00 0.00 C ATOM 673 CG LEU A 45 -5.636 -3.610 1.557 1.00 0.00 C ATOM 674 CD1 LEU A 45 -4.845 -3.148 2.767 1.00 0.00 C ATOM 675 CD2 LEU A 45 -4.865 -4.669 0.784 1.00 0.00 C ATOM 0 H LEU A 45 -9.343 -4.704 2.527 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.479 -2.771 3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.844 -4.982 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.497 -4.562 1.099 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.792 -2.750 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.877 -2.765 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.394 -2.359 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.695 -3.987 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.895 -4.270 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.720 -5.546 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.427 -4.951 -0.106 1.00 0.00 H new ATOM 687 N ALA A 46 -9.290 -2.040 0.959 1.00 0.00 N ATOM 688 CA ALA A 46 -9.709 -0.948 0.095 1.00 0.00 C ATOM 689 C ALA A 46 -10.267 0.216 0.909 1.00 0.00 C ATOM 690 O ALA A 46 -10.438 1.319 0.393 1.00 0.00 O ATOM 691 CB ALA A 46 -10.750 -1.443 -0.894 1.00 0.00 C ATOM 0 H ALA A 46 -9.893 -2.861 0.918 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.836 -0.589 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.060 -0.620 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.323 -2.240 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.615 -1.824 -0.351 1.00 0.00 H new ATOM 697 N GLU A 47 -10.533 -0.034 2.189 1.00 0.00 N ATOM 698 CA GLU A 47 -11.120 0.972 3.072 1.00 0.00 C ATOM 699 C GLU A 47 -10.052 1.876 3.690 1.00 0.00 C ATOM 700 O GLU A 47 -10.137 2.233 4.863 1.00 0.00 O ATOM 701 CB GLU A 47 -11.920 0.286 4.182 1.00 0.00 C ATOM 702 CG GLU A 47 -13.155 -0.448 3.686 1.00 0.00 C ATOM 703 CD GLU A 47 -14.235 0.490 3.191 1.00 0.00 C ATOM 704 OE1 GLU A 47 -14.188 0.890 2.011 1.00 0.00 O ATOM 705 OE2 GLU A 47 -15.140 0.830 3.982 1.00 0.00 O ATOM 0 H GLU A 47 -10.350 -0.930 2.640 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.781 1.597 2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.272 -0.421 4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.223 1.035 4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.871 -1.125 2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.555 -1.062 4.492 1.00 0.00 H new ATOM 712 N VAL A 48 -9.044 2.234 2.911 1.00 0.00 N ATOM 713 CA VAL A 48 -8.043 3.200 3.354 1.00 0.00 C ATOM 714 C VAL A 48 -8.435 4.613 2.921 1.00 0.00 C ATOM 715 O VAL A 48 -8.788 4.837 1.765 1.00 0.00 O ATOM 716 CB VAL A 48 -6.640 2.865 2.793 1.00 0.00 C ATOM 717 CG1 VAL A 48 -5.644 3.975 3.111 1.00 0.00 C ATOM 718 CG2 VAL A 48 -6.146 1.534 3.339 1.00 0.00 C ATOM 0 H VAL A 48 -8.894 1.872 1.969 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.002 3.147 4.442 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.723 2.784 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.667 3.714 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.985 4.909 2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.568 4.097 4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.158 1.318 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.087 1.586 4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.838 0.743 3.051 1.00 0.00 H new ATOM 728 N SER A 49 -8.394 5.555 3.854 1.00 0.00 N ATOM 729 CA SER A 49 -8.659 6.949 3.540 1.00 0.00 C ATOM 730 C SER A 49 -7.365 7.617 3.088 1.00 0.00 C ATOM 731 O SER A 49 -6.392 7.701 3.848 1.00 0.00 O ATOM 732 CB SER A 49 -9.237 7.659 4.763 1.00 0.00 C ATOM 733 OG SER A 49 -10.362 6.959 5.268 1.00 0.00 O ATOM 0 H SER A 49 -8.179 5.377 4.835 1.00 0.00 H new ATOM 0 HA SER A 49 -9.390 7.012 2.734 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.474 7.737 5.538 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.526 8.676 4.496 1.00 0.00 H new ATOM 0 HG SER A 49 -10.715 7.430 6.052 1.00 0.00 H new ATOM 739 N VAL A 50 -7.349 8.073 1.845 1.00 0.00 N ATOM 740 CA VAL A 50 -6.128 8.587 1.247 1.00 0.00 C ATOM 741 C VAL A 50 -6.083 10.105 1.297 1.00 0.00 C ATOM 742 O VAL A 50 -7.110 10.777 1.174 1.00 0.00 O ATOM 743 CB VAL A 50 -5.982 8.152 -0.224 1.00 0.00 C ATOM 744 CG1 VAL A 50 -4.513 8.062 -0.611 1.00 0.00 C ATOM 745 CG2 VAL A 50 -6.703 6.841 -0.488 1.00 0.00 C ATOM 0 H VAL A 50 -8.165 8.097 1.233 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.308 8.171 1.832 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.452 8.911 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.430 7.753 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.042 9.037 -0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.013 7.331 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.580 6.563 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.283 6.061 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.764 6.958 -0.266 1.00 0.00 H new ATOM 755 N GLU A 51 -4.889 10.634 1.489 1.00 0.00 N ATOM 756 CA GLU A 51 -4.656 12.064 1.438 1.00 0.00 C ATOM 757 C GLU A 51 -3.242 12.315 0.930 1.00 0.00 C ATOM 758 O GLU A 51 -2.331 11.546 1.216 1.00 0.00 O ATOM 759 CB GLU A 51 -4.847 12.678 2.824 1.00 0.00 C ATOM 760 CG GLU A 51 -4.716 14.191 2.864 1.00 0.00 C ATOM 761 CD GLU A 51 -4.986 14.751 4.246 1.00 0.00 C ATOM 762 OE1 GLU A 51 -4.980 13.970 5.222 1.00 0.00 O ATOM 763 OE2 GLU A 51 -5.214 15.973 4.366 1.00 0.00 O ATOM 0 H GLU A 51 -4.053 10.083 1.685 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.371 12.531 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.833 12.401 3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.114 12.244 3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.713 14.476 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.412 14.634 2.152 1.00 0.00 H new ATOM 770 N LEU A 52 -3.068 13.368 0.155 1.00 0.00 N ATOM 771 CA LEU A 52 -1.758 13.706 -0.384 1.00 0.00 C ATOM 772 C LEU A 52 -1.386 15.118 0.013 1.00 0.00 C ATOM 773 O LEU A 52 -2.173 16.047 -0.143 1.00 0.00 O ATOM 774 CB LEU A 52 -1.724 13.567 -1.915 1.00 0.00 C ATOM 775 CG LEU A 52 -1.635 12.135 -2.461 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.955 11.395 -2.314 1.00 0.00 C ATOM 777 CD2 LEU A 52 -1.206 12.156 -3.917 1.00 0.00 C ATOM 0 H LEU A 52 -3.815 14.006 -0.118 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.034 13.006 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.621 14.034 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.871 14.132 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.888 11.601 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.852 10.385 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.228 11.344 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.732 11.925 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.146 11.135 -4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.934 12.717 -4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.229 12.632 -4.002 1.00 0.00 H new ATOM 789 N ARG A 53 -0.195 15.262 0.550 1.00 0.00 N ATOM 790 CA ARG A 53 0.334 16.562 0.897 1.00 0.00 C ATOM 791 C ARG A 53 1.596 16.780 0.085 1.00 0.00 C ATOM 792 O ARG A 53 2.202 15.810 -0.370 1.00 0.00 O ATOM 793 CB ARG A 53 0.646 16.625 2.396 1.00 0.00 C ATOM 794 CG ARG A 53 0.639 18.030 2.977 1.00 0.00 C ATOM 795 CD ARG A 53 -0.775 18.490 3.320 1.00 0.00 C ATOM 796 NE ARG A 53 -1.633 18.620 2.139 1.00 0.00 N ATOM 797 CZ ARG A 53 -2.946 18.382 2.142 1.00 0.00 C ATOM 798 NH1 ARG A 53 -3.547 17.971 3.254 1.00 0.00 N ATOM 799 NH2 ARG A 53 -3.659 18.554 1.036 1.00 0.00 N ATOM 0 H ARG A 53 0.432 14.485 0.758 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.396 17.341 0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.083 16.019 2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.624 16.177 2.571 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.258 18.056 3.874 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.084 18.722 2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.225 17.780 4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.725 19.450 3.834 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.200 18.910 1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.004 17.837 4.107 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.551 17.790 3.254 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.204 18.869 0.179 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.662 18.371 1.042 1.00 0.00 H new ATOM 813 N MET A 54 1.983 18.029 -0.120 1.00 0.00 N ATOM 814 CA MET A 54 3.199 18.325 -0.870 1.00 0.00 C ATOM 815 C MET A 54 4.421 17.704 -0.198 1.00 0.00 C ATOM 816 O MET A 54 4.964 18.248 0.767 1.00 0.00 O ATOM 817 CB MET A 54 3.391 19.835 -1.040 1.00 0.00 C ATOM 818 CG MET A 54 2.759 20.393 -2.309 1.00 0.00 C ATOM 819 SD MET A 54 0.988 20.066 -2.425 1.00 0.00 S ATOM 820 CE MET A 54 0.610 20.824 -4.003 1.00 0.00 C ATOM 0 H MET A 54 1.480 18.849 0.218 1.00 0.00 H new ATOM 0 HA MET A 54 3.090 17.883 -1.860 1.00 0.00 H new ATOM 0 HB2 MET A 54 2.964 20.346 -0.177 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.458 20.058 -1.047 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.926 21.469 -2.347 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.259 19.962 -3.176 1.00 0.00 H new ATOM 0 HE1 MET A 54 -0.452 20.706 -4.218 1.00 0.00 H new ATOM 0 HE2 MET A 54 0.857 21.885 -3.965 1.00 0.00 H new ATOM 0 HE3 MET A 54 1.195 20.343 -4.787 1.00 0.00 H new ATOM 830 N GLY A 55 4.828 16.546 -0.703 1.00 0.00 N ATOM 831 CA GLY A 55 5.984 15.861 -0.170 1.00 0.00 C ATOM 832 C GLY A 55 5.631 14.635 0.657 1.00 0.00 C ATOM 833 O GLY A 55 6.507 13.822 0.964 1.00 0.00 O ATOM 0 H GLY A 55 4.371 16.068 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.631 15.560 -0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.555 16.554 0.447 1.00 0.00 H new ATOM 837 N TYR A 56 4.355 14.466 1.007 1.00 0.00 N ATOM 838 CA TYR A 56 3.970 13.390 1.913 1.00 0.00 C ATOM 839 C TYR A 56 2.684 12.705 1.476 1.00 0.00 C ATOM 840 O TYR A 56 1.722 13.352 1.065 1.00 0.00 O ATOM 841 CB TYR A 56 3.803 13.920 3.338 1.00 0.00 C ATOM 842 CG TYR A 56 5.107 14.282 4.008 1.00 0.00 C ATOM 843 CD1 TYR A 56 5.868 13.311 4.648 1.00 0.00 C ATOM 844 CD2 TYR A 56 5.579 15.588 4.003 1.00 0.00 C ATOM 845 CE1 TYR A 56 7.062 13.631 5.261 1.00 0.00 C ATOM 846 CE2 TYR A 56 6.772 15.916 4.614 1.00 0.00 C ATOM 847 CZ TYR A 56 7.510 14.935 5.240 1.00 0.00 C ATOM 848 OH TYR A 56 8.695 15.263 5.857 1.00 0.00 O ATOM 0 H TYR A 56 3.585 15.050 0.682 1.00 0.00 H new ATOM 0 HA TYR A 56 4.773 12.653 1.886 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.160 14.800 3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.293 13.167 3.939 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.519 12.289 4.666 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.003 16.359 3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.642 12.865 5.754 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.126 16.936 4.602 1.00 0.00 H new ATOM 0 HH TYR A 56 8.866 16.222 5.748 1.00 0.00 H new ATOM 858 N LEU A 57 2.685 11.390 1.575 1.00 0.00 N ATOM 859 CA LEU A 57 1.498 10.597 1.338 1.00 0.00 C ATOM 860 C LEU A 57 0.832 10.314 2.676 1.00 0.00 C ATOM 861 O LEU A 57 1.366 9.576 3.507 1.00 0.00 O ATOM 862 CB LEU A 57 1.860 9.289 0.626 1.00 0.00 C ATOM 863 CG LEU A 57 0.674 8.417 0.212 1.00 0.00 C ATOM 864 CD1 LEU A 57 -0.218 9.155 -0.776 1.00 0.00 C ATOM 865 CD2 LEU A 57 1.161 7.106 -0.384 1.00 0.00 C ATOM 0 H LEU A 57 3.509 10.843 1.822 1.00 0.00 H new ATOM 0 HA LEU A 57 0.810 11.144 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.441 9.529 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.507 8.706 1.281 1.00 0.00 H new ATOM 0 HG LEU A 57 0.085 8.194 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.055 8.517 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.596 10.067 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.358 9.411 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.304 6.497 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.774 7.311 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.755 6.569 0.355 1.00 0.00 H new ATOM 877 N VAL A 58 -0.317 10.925 2.888 1.00 0.00 N ATOM 878 CA VAL A 58 -0.994 10.853 4.167 1.00 0.00 C ATOM 879 C VAL A 58 -2.060 9.764 4.158 1.00 0.00 C ATOM 880 O VAL A 58 -3.184 9.978 3.703 1.00 0.00 O ATOM 881 CB VAL A 58 -1.655 12.200 4.528 1.00 0.00 C ATOM 882 CG1 VAL A 58 -2.327 12.126 5.890 1.00 0.00 C ATOM 883 CG2 VAL A 58 -0.635 13.328 4.491 1.00 0.00 C ATOM 0 H VAL A 58 -0.804 11.481 2.185 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.238 10.615 4.916 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.423 12.410 3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.786 13.087 6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.094 11.352 5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.583 11.886 6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.123 14.268 4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.160 13.123 5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.210 13.402 3.490 1.00 0.00 H new ATOM 893 N LEU A 59 -1.699 8.593 4.642 1.00 0.00 N ATOM 894 CA LEU A 59 -2.660 7.517 4.793 1.00 0.00 C ATOM 895 C LEU A 59 -3.331 7.616 6.151 1.00 0.00 C ATOM 896 O LEU A 59 -2.762 8.168 7.087 1.00 0.00 O ATOM 897 CB LEU A 59 -1.975 6.156 4.644 1.00 0.00 C ATOM 898 CG LEU A 59 -1.971 5.565 3.230 1.00 0.00 C ATOM 899 CD1 LEU A 59 -1.429 6.561 2.218 1.00 0.00 C ATOM 900 CD2 LEU A 59 -1.153 4.282 3.204 1.00 0.00 C ATOM 0 H LEU A 59 -0.750 8.362 4.937 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.414 7.610 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.943 6.251 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.465 5.448 5.312 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.000 5.337 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.439 6.112 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.052 7.456 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.407 6.830 2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.156 3.869 2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.128 4.498 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.589 3.559 3.893 1.00 0.00 H new ATOM 912 N LYS A 60 -4.553 7.130 6.237 1.00 0.00 N ATOM 913 CA LYS A 60 -5.257 7.016 7.505 1.00 0.00 C ATOM 914 C LYS A 60 -6.372 5.999 7.337 1.00 0.00 C ATOM 915 O LYS A 60 -6.966 5.915 6.264 1.00 0.00 O ATOM 916 CB LYS A 60 -5.808 8.378 7.944 1.00 0.00 C ATOM 917 CG LYS A 60 -6.840 8.959 6.992 1.00 0.00 C ATOM 918 CD LYS A 60 -7.363 10.306 7.466 1.00 0.00 C ATOM 919 CE LYS A 60 -6.380 11.434 7.183 1.00 0.00 C ATOM 920 NZ LYS A 60 -6.248 11.709 5.726 1.00 0.00 N ATOM 0 H LYS A 60 -5.088 6.802 5.433 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.573 6.683 8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.256 8.276 8.932 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.980 9.080 8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.397 9.071 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.672 8.263 6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.311 10.520 6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.563 10.260 8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.710 12.339 7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.404 11.175 7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.955 12.697 5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.533 11.074 5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.163 11.548 5.258 1.00 0.00 H new ATOM 934 N ALA A 61 -6.649 5.196 8.352 1.00 0.00 N ATOM 935 CA ALA A 61 -7.620 4.120 8.151 1.00 0.00 C ATOM 936 C ALA A 61 -8.666 4.037 9.251 1.00 0.00 C ATOM 937 O ALA A 61 -8.403 4.360 10.396 1.00 0.00 O ATOM 938 CB ALA A 61 -6.901 2.787 8.009 1.00 0.00 C ATOM 0 H ALA A 61 -6.240 5.257 9.284 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.157 4.354 7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.633 1.993 7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.228 2.826 7.152 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.326 2.586 8.913 1.00 0.00 H new ATOM 944 N PRO A 62 -9.892 3.627 8.908 1.00 0.00 N ATOM 945 CA PRO A 62 -10.895 3.276 9.908 1.00 0.00 C ATOM 946 C PRO A 62 -10.377 2.165 10.815 1.00 0.00 C ATOM 947 O PRO A 62 -10.301 1.001 10.412 1.00 0.00 O ATOM 948 CB PRO A 62 -12.090 2.796 9.080 1.00 0.00 C ATOM 949 CG PRO A 62 -11.898 3.410 7.738 1.00 0.00 C ATOM 950 CD PRO A 62 -10.411 3.507 7.537 1.00 0.00 C ATOM 0 HA PRO A 62 -11.151 4.108 10.564 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.115 1.708 9.017 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.033 3.111 9.527 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.358 2.800 6.960 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.364 4.394 7.689 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.015 2.626 7.032 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.143 4.370 6.928 1.00 0.00 H new ATOM 958 N GLY A 63 -9.964 2.540 12.016 1.00 0.00 N ATOM 959 CA GLY A 63 -9.400 1.579 12.940 1.00 0.00 C ATOM 960 C GLY A 63 -7.906 1.764 13.121 1.00 0.00 C ATOM 961 O GLY A 63 -7.296 1.109 13.961 1.00 0.00 O ATOM 0 H GLY A 63 -10.010 3.496 12.368 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.895 1.673 13.906 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.598 0.570 12.578 1.00 0.00 H new ATOM 965 N MET A 64 -7.314 2.654 12.326 1.00 0.00 N ATOM 966 CA MET A 64 -5.886 2.952 12.429 1.00 0.00 C ATOM 967 C MET A 64 -5.628 4.439 12.244 1.00 0.00 C ATOM 968 O MET A 64 -6.366 5.133 11.554 1.00 0.00 O ATOM 969 CB MET A 64 -5.066 2.165 11.398 1.00 0.00 C ATOM 970 CG MET A 64 -4.853 0.708 11.762 1.00 0.00 C ATOM 971 SD MET A 64 -4.130 0.511 13.405 1.00 0.00 S ATOM 972 CE MET A 64 -2.534 1.292 13.178 1.00 0.00 C ATOM 0 H MET A 64 -7.802 3.182 11.602 1.00 0.00 H new ATOM 0 HA MET A 64 -5.571 2.650 13.428 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.569 2.218 10.432 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.095 2.645 11.279 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.807 0.183 11.722 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.201 0.243 11.022 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.762 0.687 13.653 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.321 1.381 12.113 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.547 2.284 13.629 1.00 0.00 H new ATOM 982 N LEU A 65 -4.563 4.924 12.847 1.00 0.00 N ATOM 983 CA LEU A 65 -4.215 6.334 12.760 1.00 0.00 C ATOM 984 C LEU A 65 -3.740 6.702 11.347 1.00 0.00 C ATOM 985 O LEU A 65 -4.077 6.027 10.354 1.00 0.00 O ATOM 986 CB LEU A 65 -3.129 6.669 13.801 1.00 0.00 C ATOM 987 CG LEU A 65 -3.602 6.740 15.262 1.00 0.00 C ATOM 988 CD1 LEU A 65 -4.800 7.667 15.388 1.00 0.00 C ATOM 989 CD2 LEU A 65 -3.927 5.358 15.810 1.00 0.00 C ATOM 0 H LEU A 65 -3.919 4.364 13.405 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.107 6.923 12.973 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.341 5.919 13.730 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.682 7.627 13.537 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.785 7.145 15.859 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.122 7.706 16.429 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.522 8.668 15.057 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.616 7.293 14.769 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.258 5.446 16.845 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.719 4.907 15.213 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.037 4.730 15.766 1.00 0.00 H new ATOM 1001 N ARG A 66 -3.007 7.807 11.258 1.00 0.00 N ATOM 1002 CA ARG A 66 -2.378 8.224 10.018 1.00 0.00 C ATOM 1003 C ARG A 66 -1.082 7.448 9.785 1.00 0.00 C ATOM 1004 O ARG A 66 -0.396 7.059 10.732 1.00 0.00 O ATOM 1005 CB ARG A 66 -2.046 9.722 10.061 1.00 0.00 C ATOM 1006 CG ARG A 66 -3.252 10.646 9.978 1.00 0.00 C ATOM 1007 CD ARG A 66 -2.844 12.108 10.134 1.00 0.00 C ATOM 1008 NE ARG A 66 -1.762 12.486 9.219 1.00 0.00 N ATOM 1009 CZ ARG A 66 -1.437 13.746 8.918 1.00 0.00 C ATOM 1010 NH1 ARG A 66 -2.118 14.762 9.432 1.00 0.00 N ATOM 1011 NH2 ARG A 66 -0.428 13.991 8.092 1.00 0.00 N ATOM 0 H ARG A 66 -2.835 8.435 12.043 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.079 8.023 9.208 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.507 9.934 10.984 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.371 9.954 9.237 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.754 10.507 9.020 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.969 10.382 10.755 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.709 12.745 9.952 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.527 12.286 11.161 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.222 11.738 8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.899 14.585 10.064 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.861 15.720 9.195 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.099 13.217 7.687 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.179 14.953 7.862 1.00 0.00 H new ATOM 1025 N LEU A 67 -0.755 7.239 8.528 1.00 0.00 N ATOM 1026 CA LEU A 67 0.522 6.673 8.139 1.00 0.00 C ATOM 1027 C LEU A 67 1.225 7.653 7.217 1.00 0.00 C ATOM 1028 O LEU A 67 0.804 7.861 6.078 1.00 0.00 O ATOM 1029 CB LEU A 67 0.334 5.323 7.445 1.00 0.00 C ATOM 1030 CG LEU A 67 1.619 4.661 6.937 1.00 0.00 C ATOM 1031 CD1 LEU A 67 2.553 4.330 8.093 1.00 0.00 C ATOM 1032 CD2 LEU A 67 1.288 3.409 6.146 1.00 0.00 C ATOM 0 H LEU A 67 -1.369 7.457 7.743 1.00 0.00 H new ATOM 0 HA LEU A 67 1.128 6.501 9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.156 4.641 8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.343 5.458 6.601 1.00 0.00 H new ATOM 0 HG LEU A 67 2.130 5.365 6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.458 3.861 7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.816 5.246 8.622 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.054 3.646 8.779 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.210 2.949 5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.754 2.706 6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.662 3.672 5.293 1.00 0.00 H new ATOM 1044 N ASP A 68 2.265 8.286 7.727 1.00 0.00 N ATOM 1045 CA ASP A 68 2.964 9.331 6.994 1.00 0.00 C ATOM 1046 C ASP A 68 4.122 8.754 6.188 1.00 0.00 C ATOM 1047 O ASP A 68 5.144 8.351 6.749 1.00 0.00 O ATOM 1048 CB ASP A 68 3.481 10.389 7.968 1.00 0.00 C ATOM 1049 CG ASP A 68 4.078 11.590 7.267 1.00 0.00 C ATOM 1050 OD1 ASP A 68 3.322 12.321 6.591 1.00 0.00 O ATOM 1051 OD2 ASP A 68 5.293 11.823 7.416 1.00 0.00 O ATOM 0 H ASP A 68 2.648 8.094 8.653 1.00 0.00 H new ATOM 0 HA ASP A 68 2.262 9.790 6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.662 10.718 8.608 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.234 9.942 8.617 1.00 0.00 H new ATOM 1056 N ILE A 69 3.944 8.694 4.876 1.00 0.00 N ATOM 1057 CA ILE A 69 4.972 8.182 3.982 1.00 0.00 C ATOM 1058 C ILE A 69 5.465 9.286 3.048 1.00 0.00 C ATOM 1059 O ILE A 69 4.689 9.822 2.261 1.00 0.00 O ATOM 1060 CB ILE A 69 4.444 7.006 3.128 1.00 0.00 C ATOM 1061 CG1 ILE A 69 3.873 5.904 4.026 1.00 0.00 C ATOM 1062 CG2 ILE A 69 5.554 6.451 2.240 1.00 0.00 C ATOM 1063 CD1 ILE A 69 3.238 4.767 3.253 1.00 0.00 C ATOM 0 H ILE A 69 3.091 8.996 4.405 1.00 0.00 H new ATOM 0 HA ILE A 69 5.793 7.826 4.604 1.00 0.00 H new ATOM 0 HB ILE A 69 3.643 7.377 2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.671 5.506 4.653 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.130 6.339 4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.165 5.624 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.916 7.236 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.375 6.096 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.855 4.022 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.418 5.152 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.984 4.307 2.605 1.00 0.00 H new ATOM 1075 N PRO A 70 6.749 9.661 3.142 1.00 0.00 N ATOM 1076 CA PRO A 70 7.355 10.645 2.236 1.00 0.00 C ATOM 1077 C PRO A 70 7.193 10.246 0.769 1.00 0.00 C ATOM 1078 O PRO A 70 7.462 9.104 0.397 1.00 0.00 O ATOM 1079 CB PRO A 70 8.834 10.637 2.637 1.00 0.00 C ATOM 1080 CG PRO A 70 8.842 10.154 4.046 1.00 0.00 C ATOM 1081 CD PRO A 70 7.709 9.171 4.147 1.00 0.00 C ATOM 0 HA PRO A 70 6.887 11.626 2.321 1.00 0.00 H new ATOM 0 HB2 PRO A 70 9.416 9.980 1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.271 11.632 2.557 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.793 9.682 4.292 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.706 10.980 4.744 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.037 8.155 3.929 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.275 9.158 5.147 1.00 0.00 H new ATOM 1089 N LEU A 71 6.747 11.188 -0.056 1.00 0.00 N ATOM 1090 CA LEU A 71 6.519 10.916 -1.472 1.00 0.00 C ATOM 1091 C LEU A 71 7.834 10.696 -2.205 1.00 0.00 C ATOM 1092 O LEU A 71 7.913 9.888 -3.131 1.00 0.00 O ATOM 1093 CB LEU A 71 5.744 12.062 -2.129 1.00 0.00 C ATOM 1094 CG LEU A 71 4.269 12.160 -1.740 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.628 13.375 -2.393 1.00 0.00 C ATOM 1096 CD2 LEU A 71 3.530 10.893 -2.140 1.00 0.00 C ATOM 0 H LEU A 71 6.537 12.144 0.230 1.00 0.00 H new ATOM 0 HA LEU A 71 5.925 10.004 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.233 13.002 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.811 11.950 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 71 4.203 12.273 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.578 13.431 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.142 14.278 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.704 13.288 -3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.481 10.979 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.604 10.754 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.975 10.037 -1.632 1.00 0.00 H new ATOM 1108 N ASP A 72 8.863 11.416 -1.789 1.00 0.00 N ATOM 1109 CA ASP A 72 10.174 11.290 -2.403 1.00 0.00 C ATOM 1110 C ASP A 72 10.954 10.146 -1.772 1.00 0.00 C ATOM 1111 O ASP A 72 11.512 10.282 -0.681 1.00 0.00 O ATOM 1112 CB ASP A 72 10.955 12.598 -2.276 1.00 0.00 C ATOM 1113 CG ASP A 72 12.365 12.492 -2.827 1.00 0.00 C ATOM 1114 OD1 ASP A 72 12.519 12.260 -4.044 1.00 0.00 O ATOM 1115 OD2 ASP A 72 13.325 12.663 -2.047 1.00 0.00 O ATOM 0 H ASP A 72 8.815 12.094 -1.028 1.00 0.00 H new ATOM 0 HA ASP A 72 10.034 11.071 -3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.421 13.388 -2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.000 12.890 -1.227 1.00 0.00 H new ATOM 1120 N VAL A 73 10.965 9.012 -2.452 1.00 0.00 N ATOM 1121 CA VAL A 73 11.705 7.852 -1.989 1.00 0.00 C ATOM 1122 C VAL A 73 12.996 7.718 -2.786 1.00 0.00 C ATOM 1123 O VAL A 73 12.975 7.705 -4.020 1.00 0.00 O ATOM 1124 CB VAL A 73 10.873 6.558 -2.121 1.00 0.00 C ATOM 1125 CG1 VAL A 73 11.645 5.360 -1.581 1.00 0.00 C ATOM 1126 CG2 VAL A 73 9.541 6.708 -1.399 1.00 0.00 C ATOM 0 H VAL A 73 10.467 8.870 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 73 11.934 7.997 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 73 10.676 6.384 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.039 4.460 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.571 5.241 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.878 5.522 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.966 5.788 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.720 6.908 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.982 7.536 -1.835 1.00 0.00 H new ATOM 1136 N ILE A 74 14.114 7.648 -2.082 1.00 0.00 N ATOM 1137 CA ILE A 74 15.419 7.575 -2.726 1.00 0.00 C ATOM 1138 C ILE A 74 15.725 6.147 -3.169 1.00 0.00 C ATOM 1139 O ILE A 74 15.094 5.191 -2.713 1.00 0.00 O ATOM 1140 CB ILE A 74 16.532 8.110 -1.789 1.00 0.00 C ATOM 1141 CG1 ILE A 74 17.898 8.146 -2.490 1.00 0.00 C ATOM 1142 CG2 ILE A 74 16.604 7.287 -0.509 1.00 0.00 C ATOM 1143 CD1 ILE A 74 18.998 8.761 -1.648 1.00 0.00 C ATOM 0 H ILE A 74 14.146 7.640 -1.063 1.00 0.00 H new ATOM 0 HA ILE A 74 15.392 8.209 -3.613 1.00 0.00 H new ATOM 0 HB ILE A 74 16.272 9.135 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.185 7.130 -2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.805 8.709 -3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.392 7.681 0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.649 7.342 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 74 16.823 6.248 -0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 74 19.933 8.752 -2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 74 18.734 9.789 -1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.119 8.185 -0.731 1.00 0.00 H new ATOM 1155 N GLU A 75 16.691 6.023 -4.058 1.00 0.00 N ATOM 1156 CA GLU A 75 17.075 4.738 -4.623 1.00 0.00 C ATOM 1157 C GLU A 75 18.566 4.512 -4.398 1.00 0.00 C ATOM 1158 O GLU A 75 19.313 4.197 -5.325 1.00 0.00 O ATOM 1159 CB GLU A 75 16.758 4.700 -6.120 1.00 0.00 C ATOM 1160 CG GLU A 75 15.305 5.003 -6.449 1.00 0.00 C ATOM 1161 CD GLU A 75 15.038 5.000 -7.940 1.00 0.00 C ATOM 1162 OE1 GLU A 75 15.614 5.846 -8.651 1.00 0.00 O ATOM 1163 OE2 GLU A 75 14.255 4.148 -8.407 1.00 0.00 O ATOM 0 H GLU A 75 17.235 6.810 -4.412 1.00 0.00 H new ATOM 0 HA GLU A 75 16.510 3.947 -4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 75 17.395 5.420 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 75 17.011 3.714 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 75 14.664 4.265 -5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 75 15.037 5.976 -6.037 1.00 0.00 H new ATOM 1170 N ASP A 76 18.984 4.686 -3.156 1.00 0.00 N ATOM 1171 CA ASP A 76 20.392 4.592 -2.792 1.00 0.00 C ATOM 1172 C ASP A 76 20.774 3.147 -2.478 1.00 0.00 C ATOM 1173 O ASP A 76 21.186 2.401 -3.369 1.00 0.00 O ATOM 1174 CB ASP A 76 20.685 5.506 -1.595 1.00 0.00 C ATOM 1175 CG ASP A 76 22.143 5.499 -1.182 1.00 0.00 C ATOM 1176 OD1 ASP A 76 22.985 6.032 -1.935 1.00 0.00 O ATOM 1177 OD2 ASP A 76 22.448 4.978 -0.087 1.00 0.00 O ATOM 0 H ASP A 76 18.363 4.895 -2.374 1.00 0.00 H new ATOM 0 HA ASP A 76 20.996 4.921 -3.638 1.00 0.00 H new ATOM 0 HB2 ASP A 76 20.389 6.525 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 76 20.073 5.194 -0.749 1.00 0.00 H new ATOM 1182 N ASP A 77 20.630 2.752 -1.221 1.00 0.00 N ATOM 1183 CA ASP A 77 20.926 1.378 -0.809 1.00 0.00 C ATOM 1184 C ASP A 77 19.877 0.857 0.171 1.00 0.00 C ATOM 1185 O ASP A 77 19.678 -0.350 0.309 1.00 0.00 O ATOM 1186 CB ASP A 77 22.318 1.295 -0.177 1.00 0.00 C ATOM 1187 CG ASP A 77 22.705 -0.125 0.188 1.00 0.00 C ATOM 1188 OD1 ASP A 77 23.024 -0.910 -0.728 1.00 0.00 O ATOM 1189 OD2 ASP A 77 22.697 -0.464 1.394 1.00 0.00 O ATOM 0 H ASP A 77 20.311 3.359 -0.466 1.00 0.00 H new ATOM 0 HA ASP A 77 20.903 0.752 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 77 23.054 1.702 -0.871 1.00 0.00 H new ATOM 0 HB3 ASP A 77 22.345 1.917 0.718 1.00 0.00 H new ATOM 1194 N ASP A 78 19.190 1.780 0.832 1.00 0.00 N ATOM 1195 CA ASP A 78 18.170 1.444 1.814 1.00 0.00 C ATOM 1196 C ASP A 78 16.888 0.966 1.139 1.00 0.00 C ATOM 1197 O ASP A 78 15.927 0.580 1.809 1.00 0.00 O ATOM 1198 CB ASP A 78 17.882 2.661 2.696 1.00 0.00 C ATOM 1199 CG ASP A 78 17.533 3.897 1.889 1.00 0.00 C ATOM 1200 OD1 ASP A 78 18.425 4.421 1.181 1.00 0.00 O ATOM 1201 OD2 ASP A 78 16.371 4.341 1.949 1.00 0.00 O ATOM 0 H ASP A 78 19.325 2.783 0.702 1.00 0.00 H new ATOM 0 HA ASP A 78 18.545 0.629 2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.059 2.429 3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 78 18.754 2.870 3.316 1.00 0.00 H new ATOM 1206 N SER A 79 16.882 0.995 -0.187 1.00 0.00 N ATOM 1207 CA SER A 79 15.761 0.502 -0.964 1.00 0.00 C ATOM 1208 C SER A 79 15.717 -1.026 -0.924 1.00 0.00 C ATOM 1209 O SER A 79 16.420 -1.697 -1.683 1.00 0.00 O ATOM 1210 CB SER A 79 15.883 0.995 -2.407 1.00 0.00 C ATOM 1211 OG SER A 79 17.146 0.642 -2.953 1.00 0.00 O ATOM 0 H SER A 79 17.651 1.360 -0.749 1.00 0.00 H new ATOM 0 HA SER A 79 14.834 0.881 -0.535 1.00 0.00 H new ATOM 0 HB2 SER A 79 15.086 0.564 -3.013 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.757 2.077 -2.439 1.00 0.00 H new ATOM 0 HG SER A 79 17.365 -0.280 -2.702 1.00 0.00 H new ATOM 1217 N VAL A 80 14.915 -1.565 -0.018 1.00 0.00 N ATOM 1218 CA VAL A 80 14.795 -3.008 0.132 1.00 0.00 C ATOM 1219 C VAL A 80 14.043 -3.610 -1.047 1.00 0.00 C ATOM 1220 O VAL A 80 12.855 -3.348 -1.240 1.00 0.00 O ATOM 1221 CB VAL A 80 14.077 -3.386 1.446 1.00 0.00 C ATOM 1222 CG1 VAL A 80 13.974 -4.897 1.592 1.00 0.00 C ATOM 1223 CG2 VAL A 80 14.796 -2.781 2.641 1.00 0.00 C ATOM 0 H VAL A 80 14.337 -1.024 0.625 1.00 0.00 H new ATOM 0 HA VAL A 80 15.806 -3.413 0.163 1.00 0.00 H new ATOM 0 HB VAL A 80 13.066 -2.979 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 80 13.465 -5.139 2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.409 -5.306 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.974 -5.331 1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.275 -3.058 3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 80 15.819 -3.155 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.810 -1.695 2.546 1.00 0.00 H new ATOM 1233 N ARG A 81 14.744 -4.400 -1.842 1.00 0.00 N ATOM 1234 CA ARG A 81 14.132 -5.088 -2.964 1.00 0.00 C ATOM 1235 C ARG A 81 13.575 -6.427 -2.507 1.00 0.00 C ATOM 1236 O ARG A 81 14.321 -7.340 -2.141 1.00 0.00 O ATOM 1237 CB ARG A 81 15.137 -5.279 -4.102 1.00 0.00 C ATOM 1238 CG ARG A 81 15.544 -3.976 -4.769 1.00 0.00 C ATOM 1239 CD ARG A 81 16.606 -4.189 -5.837 1.00 0.00 C ATOM 1240 NE ARG A 81 16.139 -5.042 -6.935 1.00 0.00 N ATOM 1241 CZ ARG A 81 16.149 -4.675 -8.217 1.00 0.00 C ATOM 1242 NH1 ARG A 81 16.498 -3.440 -8.560 1.00 0.00 N ATOM 1243 NH2 ARG A 81 15.799 -5.540 -9.157 1.00 0.00 N ATOM 0 H ARG A 81 15.742 -4.581 -1.730 1.00 0.00 H new ATOM 0 HA ARG A 81 13.313 -4.477 -3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 81 16.027 -5.773 -3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.706 -5.943 -4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.667 -3.509 -5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.922 -3.285 -4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.912 -3.223 -6.238 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.488 -4.639 -5.382 1.00 0.00 H new ATOM 0 HE ARG A 81 15.786 -5.971 -6.704 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.760 -2.766 -7.841 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.504 -3.166 -9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.522 -6.487 -8.900 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.807 -5.259 -10.137 1.00 0.00 H new ATOM 1257 N TYR A 82 12.262 -6.516 -2.501 1.00 0.00 N ATOM 1258 CA TYR A 82 11.563 -7.706 -2.066 1.00 0.00 C ATOM 1259 C TYR A 82 11.102 -8.492 -3.287 1.00 0.00 C ATOM 1260 O TYR A 82 10.551 -7.918 -4.227 1.00 0.00 O ATOM 1261 CB TYR A 82 10.362 -7.307 -1.199 1.00 0.00 C ATOM 1262 CG TYR A 82 9.777 -8.442 -0.389 1.00 0.00 C ATOM 1263 CD1 TYR A 82 8.842 -9.311 -0.937 1.00 0.00 C ATOM 1264 CD2 TYR A 82 10.159 -8.639 0.930 1.00 0.00 C ATOM 1265 CE1 TYR A 82 8.308 -10.346 -0.192 1.00 0.00 C ATOM 1266 CE2 TYR A 82 9.632 -9.670 1.679 1.00 0.00 C ATOM 1267 CZ TYR A 82 8.707 -10.521 1.115 1.00 0.00 C ATOM 1268 OH TYR A 82 8.180 -11.548 1.865 1.00 0.00 O ATOM 0 H TYR A 82 11.646 -5.760 -2.800 1.00 0.00 H new ATOM 0 HA TYR A 82 12.229 -8.332 -1.472 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.667 -6.511 -0.520 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.584 -6.896 -1.843 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.527 -9.176 -1.961 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.882 -7.973 1.378 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.582 -11.014 -0.632 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.943 -9.810 2.704 1.00 0.00 H new ATOM 0 HH TYR A 82 8.569 -11.530 2.764 1.00 0.00 H new ATOM 1278 N GLN A 83 11.352 -9.791 -3.287 1.00 0.00 N ATOM 1279 CA GLN A 83 10.904 -10.638 -4.379 1.00 0.00 C ATOM 1280 C GLN A 83 9.425 -10.949 -4.230 1.00 0.00 C ATOM 1281 O GLN A 83 9.023 -11.754 -3.389 1.00 0.00 O ATOM 1282 CB GLN A 83 11.733 -11.925 -4.450 1.00 0.00 C ATOM 1283 CG GLN A 83 13.205 -11.661 -4.716 1.00 0.00 C ATOM 1284 CD GLN A 83 13.429 -10.784 -5.936 1.00 0.00 C ATOM 1285 OE1 GLN A 83 12.669 -10.831 -6.906 1.00 0.00 O ATOM 1286 NE2 GLN A 83 14.473 -9.972 -5.893 1.00 0.00 N ATOM 0 H GLN A 83 11.859 -10.279 -2.549 1.00 0.00 H new ATOM 0 HA GLN A 83 11.049 -10.100 -5.316 1.00 0.00 H new ATOM 0 HB2 GLN A 83 11.630 -12.471 -3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 83 11.335 -12.566 -5.237 1.00 0.00 H new ATOM 0 HG2 GLN A 83 13.648 -11.183 -3.843 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.721 -12.611 -4.856 1.00 0.00 H new ATOM 0 HE21 GLN A 83 15.078 -9.963 -5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 83 14.672 -9.356 -6.681 1.00 0.00 H new ATOM 1295 N MET A 84 8.627 -10.290 -5.051 1.00 0.00 N ATOM 1296 CA MET A 84 7.187 -10.407 -4.996 1.00 0.00 C ATOM 1297 C MET A 84 6.761 -11.599 -5.832 1.00 0.00 C ATOM 1298 O MET A 84 7.386 -11.897 -6.853 1.00 0.00 O ATOM 1299 CB MET A 84 6.552 -9.128 -5.542 1.00 0.00 C ATOM 1300 CG MET A 84 5.089 -8.952 -5.182 1.00 0.00 C ATOM 1301 SD MET A 84 4.839 -8.671 -3.421 1.00 0.00 S ATOM 1302 CE MET A 84 3.136 -8.116 -3.397 1.00 0.00 C ATOM 0 H MET A 84 8.964 -9.657 -5.776 1.00 0.00 H new ATOM 0 HA MET A 84 6.861 -10.550 -3.966 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.111 -8.271 -5.168 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.650 -9.123 -6.628 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.679 -8.112 -5.742 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.534 -9.839 -5.487 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.942 -7.576 -2.470 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.956 -7.456 -4.246 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.472 -8.978 -3.461 1.00 0.00 H new ATOM 1312 N LEU A 85 5.709 -12.279 -5.421 1.00 0.00 N ATOM 1313 CA LEU A 85 5.280 -13.461 -6.123 1.00 0.00 C ATOM 1314 C LEU A 85 3.821 -13.342 -6.516 1.00 0.00 C ATOM 1315 O LEU A 85 2.911 -13.650 -5.742 1.00 0.00 O ATOM 1316 CB LEU A 85 5.507 -14.713 -5.282 1.00 0.00 C ATOM 1317 CG LEU A 85 5.309 -16.028 -6.034 1.00 0.00 C ATOM 1318 CD1 LEU A 85 6.376 -16.199 -7.106 1.00 0.00 C ATOM 1319 CD2 LEU A 85 5.324 -17.200 -5.073 1.00 0.00 C ATOM 0 H LEU A 85 5.142 -12.032 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 85 5.879 -13.552 -7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.521 -14.687 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.827 -14.691 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 85 4.335 -15.999 -6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.217 -17.141 -7.630 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.314 -15.374 -7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.362 -16.204 -6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.181 -18.127 -5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.281 -17.232 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.520 -17.085 -4.346 1.00 0.00 H new ATOM 1331 N VAL A 86 3.612 -12.843 -7.712 1.00 0.00 N ATOM 1332 CA VAL A 86 2.276 -12.732 -8.281 1.00 0.00 C ATOM 1333 C VAL A 86 1.836 -14.083 -8.818 1.00 0.00 C ATOM 1334 O VAL A 86 2.008 -14.374 -10.003 1.00 0.00 O ATOM 1335 CB VAL A 86 2.217 -11.705 -9.429 1.00 0.00 C ATOM 1336 CG1 VAL A 86 0.782 -11.313 -9.733 1.00 0.00 C ATOM 1337 CG2 VAL A 86 3.039 -10.482 -9.103 1.00 0.00 C ATOM 0 H VAL A 86 4.356 -12.502 -8.321 1.00 0.00 H new ATOM 0 HA VAL A 86 1.613 -12.395 -7.485 1.00 0.00 H new ATOM 0 HB VAL A 86 2.640 -12.175 -10.317 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.768 -10.588 -10.546 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.217 -12.198 -10.026 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.330 -10.871 -8.845 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.980 -9.773 -9.929 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.653 -10.015 -8.197 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.078 -10.773 -8.947 1.00 0.00 H new ATOM 1347 N GLY A 87 1.308 -14.918 -7.937 1.00 0.00 N ATOM 1348 CA GLY A 87 0.953 -16.269 -8.321 1.00 0.00 C ATOM 1349 C GLY A 87 2.187 -17.129 -8.486 1.00 0.00 C ATOM 1350 O GLY A 87 2.495 -17.955 -7.630 1.00 0.00 O ATOM 0 H GLY A 87 1.119 -14.685 -6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.300 -16.706 -7.566 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.392 -16.250 -9.255 1.00 0.00 H new ATOM 1354 N GLU A 88 2.900 -16.918 -9.582 1.00 0.00 N ATOM 1355 CA GLU A 88 4.163 -17.594 -9.820 1.00 0.00 C ATOM 1356 C GLU A 88 5.153 -16.624 -10.471 1.00 0.00 C ATOM 1357 O GLU A 88 6.273 -16.995 -10.824 1.00 0.00 O ATOM 1358 CB GLU A 88 3.952 -18.823 -10.714 1.00 0.00 C ATOM 1359 CG GLU A 88 5.139 -19.774 -10.742 1.00 0.00 C ATOM 1360 CD GLU A 88 5.359 -20.484 -9.419 1.00 0.00 C ATOM 1361 OE1 GLU A 88 5.763 -19.828 -8.437 1.00 0.00 O ATOM 1362 OE2 GLU A 88 5.128 -21.711 -9.355 1.00 0.00 O ATOM 0 H GLU A 88 2.621 -16.278 -10.326 1.00 0.00 H new ATOM 0 HA GLU A 88 4.570 -17.931 -8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.072 -19.365 -10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.742 -18.489 -11.730 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.985 -20.516 -11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.038 -19.217 -11.003 1.00 0.00 H new ATOM 1369 N GLN A 89 4.746 -15.365 -10.603 1.00 0.00 N ATOM 1370 CA GLN A 89 5.579 -14.376 -11.265 1.00 0.00 C ATOM 1371 C GLN A 89 6.458 -13.667 -10.248 1.00 0.00 C ATOM 1372 O GLN A 89 5.965 -12.904 -9.416 1.00 0.00 O ATOM 1373 CB GLN A 89 4.724 -13.354 -12.025 1.00 0.00 C ATOM 1374 CG GLN A 89 5.539 -12.483 -12.971 1.00 0.00 C ATOM 1375 CD GLN A 89 4.694 -11.555 -13.830 1.00 0.00 C ATOM 1376 OE1 GLN A 89 5.033 -11.298 -14.984 1.00 0.00 O ATOM 1377 NE2 GLN A 89 3.621 -11.012 -13.275 1.00 0.00 N ATOM 0 H GLN A 89 3.852 -15.011 -10.263 1.00 0.00 H new ATOM 0 HA GLN A 89 6.212 -14.894 -11.986 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.958 -13.881 -12.594 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.207 -12.717 -11.308 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.240 -11.886 -12.388 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.132 -13.125 -13.621 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.369 -11.248 -12.315 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.047 -10.358 -13.807 1.00 0.00 H new ATOM 1386 N THR A 90 7.753 -13.938 -10.304 1.00 0.00 N ATOM 1387 CA THR A 90 8.701 -13.314 -9.401 1.00 0.00 C ATOM 1388 C THR A 90 9.124 -11.953 -9.943 1.00 0.00 C ATOM 1389 O THR A 90 9.732 -11.860 -11.011 1.00 0.00 O ATOM 1390 CB THR A 90 9.937 -14.209 -9.204 1.00 0.00 C ATOM 1391 OG1 THR A 90 9.509 -15.549 -8.916 1.00 0.00 O ATOM 1392 CG2 THR A 90 10.810 -13.697 -8.068 1.00 0.00 C ATOM 0 H THR A 90 8.170 -14.589 -10.969 1.00 0.00 H new ATOM 0 HA THR A 90 8.215 -13.178 -8.435 1.00 0.00 H new ATOM 0 HB THR A 90 10.527 -14.192 -10.120 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.293 -16.123 -8.791 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.676 -14.349 -7.952 1.00 0.00 H new ATOM 0 HG22 THR A 90 11.146 -12.685 -8.295 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.235 -13.689 -7.142 1.00 0.00 H new ATOM 1400 N VAL A 91 8.768 -10.906 -9.221 1.00 0.00 N ATOM 1401 CA VAL A 91 9.061 -9.547 -9.647 1.00 0.00 C ATOM 1402 C VAL A 91 9.609 -8.721 -8.491 1.00 0.00 C ATOM 1403 O VAL A 91 9.208 -8.899 -7.343 1.00 0.00 O ATOM 1404 CB VAL A 91 7.813 -8.860 -10.245 1.00 0.00 C ATOM 1405 CG1 VAL A 91 7.613 -9.290 -11.690 1.00 0.00 C ATOM 1406 CG2 VAL A 91 6.567 -9.186 -9.429 1.00 0.00 C ATOM 0 H VAL A 91 8.273 -10.970 -8.332 1.00 0.00 H new ATOM 0 HA VAL A 91 9.821 -9.608 -10.426 1.00 0.00 H new ATOM 0 HB VAL A 91 7.974 -7.782 -10.213 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.730 -8.798 -12.097 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.488 -9.010 -12.277 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.478 -10.371 -11.733 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.703 -8.690 -9.871 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.405 -10.264 -9.427 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.701 -8.837 -8.405 1.00 0.00 H new ATOM 1416 N ASP A 92 10.537 -7.826 -8.801 1.00 0.00 N ATOM 1417 CA ASP A 92 11.197 -7.013 -7.782 1.00 0.00 C ATOM 1418 C ASP A 92 10.333 -5.827 -7.370 1.00 0.00 C ATOM 1419 O ASP A 92 9.985 -4.976 -8.193 1.00 0.00 O ATOM 1420 CB ASP A 92 12.546 -6.499 -8.292 1.00 0.00 C ATOM 1421 CG ASP A 92 13.588 -7.589 -8.440 1.00 0.00 C ATOM 1422 OD1 ASP A 92 13.513 -8.368 -9.412 1.00 0.00 O ATOM 1423 OD2 ASP A 92 14.514 -7.648 -7.607 1.00 0.00 O ATOM 0 H ASP A 92 10.853 -7.642 -9.753 1.00 0.00 H new ATOM 0 HA ASP A 92 11.354 -7.651 -6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.400 -6.013 -9.257 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.920 -5.740 -7.605 1.00 0.00 H new ATOM 1428 N VAL A 93 9.990 -5.777 -6.093 1.00 0.00 N ATOM 1429 CA VAL A 93 9.256 -4.653 -5.530 1.00 0.00 C ATOM 1430 C VAL A 93 10.052 -4.041 -4.381 1.00 0.00 C ATOM 1431 O VAL A 93 10.872 -4.713 -3.768 1.00 0.00 O ATOM 1432 CB VAL A 93 7.851 -5.061 -5.028 1.00 0.00 C ATOM 1433 CG1 VAL A 93 6.983 -5.547 -6.181 1.00 0.00 C ATOM 1434 CG2 VAL A 93 7.948 -6.125 -3.944 1.00 0.00 C ATOM 0 H VAL A 93 10.211 -6.510 -5.419 1.00 0.00 H new ATOM 0 HA VAL A 93 9.121 -3.921 -6.326 1.00 0.00 H new ATOM 0 HB VAL A 93 7.380 -4.178 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.000 -5.828 -5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.875 -4.750 -6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.452 -6.412 -6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.947 -6.394 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.446 -7.008 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.521 -5.736 -3.102 1.00 0.00 H new ATOM 1444 N VAL A 94 9.839 -2.766 -4.113 1.00 0.00 N ATOM 1445 CA VAL A 94 10.538 -2.095 -3.028 1.00 0.00 C ATOM 1446 C VAL A 94 9.681 -2.070 -1.772 1.00 0.00 C ATOM 1447 O VAL A 94 8.518 -1.670 -1.812 1.00 0.00 O ATOM 1448 CB VAL A 94 10.952 -0.659 -3.421 1.00 0.00 C ATOM 1449 CG1 VAL A 94 11.374 0.150 -2.200 1.00 0.00 C ATOM 1450 CG2 VAL A 94 12.079 -0.704 -4.443 1.00 0.00 C ATOM 0 H VAL A 94 9.189 -2.173 -4.630 1.00 0.00 H new ATOM 0 HA VAL A 94 11.446 -2.662 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 94 10.087 -0.165 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.659 1.155 -2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.543 0.209 -1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.222 -0.335 -1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.365 0.312 -4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.938 -1.220 -4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.742 -1.236 -5.333 1.00 0.00 H new ATOM 1460 N ASP A 95 10.258 -2.523 -0.671 1.00 0.00 N ATOM 1461 CA ASP A 95 9.573 -2.528 0.614 1.00 0.00 C ATOM 1462 C ASP A 95 9.443 -1.110 1.147 1.00 0.00 C ATOM 1463 O ASP A 95 10.426 -0.368 1.204 1.00 0.00 O ATOM 1464 CB ASP A 95 10.332 -3.402 1.617 1.00 0.00 C ATOM 1465 CG ASP A 95 9.629 -3.528 2.959 1.00 0.00 C ATOM 1466 OD1 ASP A 95 8.462 -3.104 3.079 1.00 0.00 O ATOM 1467 OD2 ASP A 95 10.245 -4.069 3.900 1.00 0.00 O ATOM 0 H ASP A 95 11.207 -2.895 -0.641 1.00 0.00 H new ATOM 0 HA ASP A 95 8.575 -2.942 0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.468 -4.396 1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.326 -2.983 1.774 1.00 0.00 H new ATOM 1472 N GLU A 96 8.228 -0.745 1.524 1.00 0.00 N ATOM 1473 CA GLU A 96 7.948 0.588 2.029 1.00 0.00 C ATOM 1474 C GLU A 96 8.306 0.667 3.513 1.00 0.00 C ATOM 1475 O GLU A 96 8.499 1.751 4.065 1.00 0.00 O ATOM 1476 CB GLU A 96 6.470 0.929 1.830 1.00 0.00 C ATOM 1477 CG GLU A 96 6.198 2.418 1.686 1.00 0.00 C ATOM 1478 CD GLU A 96 6.231 2.882 0.243 1.00 0.00 C ATOM 1479 OE1 GLU A 96 5.197 2.761 -0.450 1.00 0.00 O ATOM 1480 OE2 GLU A 96 7.284 3.378 -0.213 1.00 0.00 O ATOM 0 H GLU A 96 7.415 -1.359 1.489 1.00 0.00 H new ATOM 0 HA GLU A 96 8.552 1.308 1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.105 0.415 0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.901 0.545 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.223 2.648 2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.938 2.976 2.260 1.00 0.00 H new ATOM 1487 N GLY A 97 8.388 -0.493 4.158 1.00 0.00 N ATOM 1488 CA GLY A 97 8.757 -0.534 5.557 1.00 0.00 C ATOM 1489 C GLY A 97 7.709 -1.205 6.423 1.00 0.00 C ATOM 1490 O GLY A 97 6.520 -1.235 6.084 1.00 0.00 O ATOM 0 H GLY A 97 8.205 -1.403 3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.703 -1.065 5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.920 0.483 5.915 1.00 0.00 H new ATOM 1494 N GLU A 98 8.142 -1.713 7.571 1.00 0.00 N ATOM 1495 CA GLU A 98 7.254 -2.435 8.465 1.00 0.00 C ATOM 1496 C GLU A 98 6.384 -1.483 9.277 1.00 0.00 C ATOM 1497 O GLU A 98 5.490 -1.918 9.999 1.00 0.00 O ATOM 1498 CB GLU A 98 8.043 -3.364 9.388 1.00 0.00 C ATOM 1499 CG GLU A 98 8.703 -4.513 8.648 1.00 0.00 C ATOM 1500 CD GLU A 98 9.298 -5.552 9.575 1.00 0.00 C ATOM 1501 OE1 GLU A 98 8.528 -6.353 10.152 1.00 0.00 O ATOM 1502 OE2 GLU A 98 10.535 -5.581 9.724 1.00 0.00 O ATOM 0 H GLU A 98 9.104 -1.636 7.902 1.00 0.00 H new ATOM 0 HA GLU A 98 6.594 -3.044 7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.808 -2.787 9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.374 -3.766 10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.968 -4.991 8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.488 -4.119 8.002 1.00 0.00 H new ATOM 1509 N LEU A 99 6.634 -0.183 9.151 1.00 0.00 N ATOM 1510 CA LEU A 99 5.753 0.806 9.755 1.00 0.00 C ATOM 1511 C LEU A 99 4.417 0.780 9.025 1.00 0.00 C ATOM 1512 O LEU A 99 3.352 0.868 9.637 1.00 0.00 O ATOM 1513 CB LEU A 99 6.364 2.220 9.723 1.00 0.00 C ATOM 1514 CG LEU A 99 6.637 2.817 8.334 1.00 0.00 C ATOM 1515 CD1 LEU A 99 6.739 4.331 8.423 1.00 0.00 C ATOM 1516 CD2 LEU A 99 7.918 2.250 7.741 1.00 0.00 C ATOM 0 H LEU A 99 7.429 0.205 8.643 1.00 0.00 H new ATOM 0 HA LEU A 99 5.610 0.552 10.805 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.694 2.893 10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.303 2.199 10.276 1.00 0.00 H new ATOM 0 HG LEU A 99 5.805 2.550 7.682 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.933 4.742 7.432 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.803 4.737 8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.554 4.602 9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.089 2.688 6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.757 2.487 8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.827 1.168 7.645 1.00 0.00 H new ATOM 1528 N ALA A 100 4.490 0.616 7.707 1.00 0.00 N ATOM 1529 CA ALA A 100 3.301 0.465 6.888 1.00 0.00 C ATOM 1530 C ALA A 100 2.712 -0.923 7.088 1.00 0.00 C ATOM 1531 O ALA A 100 1.494 -1.097 7.107 1.00 0.00 O ATOM 1532 CB ALA A 100 3.636 0.703 5.422 1.00 0.00 C ATOM 0 H ALA A 100 5.366 0.585 7.186 1.00 0.00 H new ATOM 0 HA ALA A 100 2.561 1.205 7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.735 0.587 4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.028 1.712 5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.385 -0.019 5.098 1.00 0.00 H new ATOM 1538 N ALA A 101 3.593 -1.907 7.252 1.00 0.00 N ATOM 1539 CA ALA A 101 3.170 -3.279 7.511 1.00 0.00 C ATOM 1540 C ALA A 101 2.336 -3.371 8.786 1.00 0.00 C ATOM 1541 O ALA A 101 1.232 -3.895 8.764 1.00 0.00 O ATOM 1542 CB ALA A 101 4.377 -4.199 7.599 1.00 0.00 C ATOM 0 H ALA A 101 4.604 -1.779 7.210 1.00 0.00 H new ATOM 0 HA ALA A 101 2.544 -3.599 6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.044 -5.219 7.793 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.927 -4.169 6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.027 -3.870 8.409 1.00 0.00 H new ATOM 1548 N ALA A 102 2.862 -2.842 9.886 1.00 0.00 N ATOM 1549 CA ALA A 102 2.162 -2.875 11.169 1.00 0.00 C ATOM 1550 C ALA A 102 0.855 -2.088 11.102 1.00 0.00 C ATOM 1551 O ALA A 102 -0.176 -2.504 11.647 1.00 0.00 O ATOM 1552 CB ALA A 102 3.056 -2.325 12.271 1.00 0.00 C ATOM 0 H ALA A 102 3.773 -2.384 9.916 1.00 0.00 H new ATOM 0 HA ALA A 102 1.919 -3.913 11.397 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.523 -2.355 13.221 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.960 -2.930 12.343 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.327 -1.295 12.040 1.00 0.00 H new ATOM 1558 N TRP A 103 0.902 -0.952 10.420 1.00 0.00 N ATOM 1559 CA TRP A 103 -0.275 -0.117 10.229 1.00 0.00 C ATOM 1560 C TRP A 103 -1.393 -0.912 9.549 1.00 0.00 C ATOM 1561 O TRP A 103 -2.575 -0.741 9.864 1.00 0.00 O ATOM 1562 CB TRP A 103 0.106 1.112 9.392 1.00 0.00 C ATOM 1563 CG TRP A 103 -1.008 2.092 9.174 1.00 0.00 C ATOM 1564 CD1 TRP A 103 -1.452 3.044 10.049 1.00 0.00 C ATOM 1565 CD2 TRP A 103 -1.800 2.236 7.991 1.00 0.00 C ATOM 1566 NE1 TRP A 103 -2.479 3.762 9.483 1.00 0.00 N ATOM 1567 CE2 TRP A 103 -2.710 3.284 8.220 1.00 0.00 C ATOM 1568 CE3 TRP A 103 -1.829 1.574 6.758 1.00 0.00 C ATOM 1569 CZ2 TRP A 103 -3.636 3.685 7.262 1.00 0.00 C ATOM 1570 CZ3 TRP A 103 -2.749 1.976 5.810 1.00 0.00 C ATOM 1571 CH2 TRP A 103 -3.641 3.022 6.067 1.00 0.00 C ATOM 0 H TRP A 103 1.750 -0.586 9.987 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.644 0.214 11.200 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.933 1.626 9.882 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.470 0.775 8.422 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -1.054 3.208 11.040 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -2.986 4.526 9.930 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -1.145 0.764 6.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -4.327 4.492 7.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -2.780 1.474 4.854 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -4.349 3.312 5.305 1.00 0.00 H new ATOM 1582 N ILE A 104 -1.020 -1.804 8.639 1.00 0.00 N ATOM 1583 CA ILE A 104 -2.009 -2.586 7.920 1.00 0.00 C ATOM 1584 C ILE A 104 -2.240 -3.954 8.573 1.00 0.00 C ATOM 1585 O ILE A 104 -3.299 -4.547 8.408 1.00 0.00 O ATOM 1586 CB ILE A 104 -1.648 -2.741 6.421 1.00 0.00 C ATOM 1587 CG1 ILE A 104 -2.918 -2.658 5.577 1.00 0.00 C ATOM 1588 CG2 ILE A 104 -0.927 -4.053 6.145 1.00 0.00 C ATOM 1589 CD1 ILE A 104 -3.688 -1.370 5.776 1.00 0.00 C ATOM 0 H ILE A 104 -0.051 -2.000 8.386 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.945 -2.030 7.976 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.971 -1.930 6.154 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.653 -2.755 4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.564 -3.501 5.822 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.692 -4.122 5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.004 -4.090 6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.568 -4.887 6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.578 -1.377 5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.983 -1.280 6.821 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -3.058 -0.524 5.503 1.00 0.00 H new ATOM 1601 N SER A 105 -1.283 -4.450 9.344 1.00 0.00 N ATOM 1602 CA SER A 105 -1.489 -5.700 10.061 1.00 0.00 C ATOM 1603 C SER A 105 -2.564 -5.499 11.123 1.00 0.00 C ATOM 1604 O SER A 105 -3.177 -6.451 11.604 1.00 0.00 O ATOM 1605 CB SER A 105 -0.185 -6.202 10.690 1.00 0.00 C ATOM 1606 OG SER A 105 0.328 -5.281 11.633 1.00 0.00 O ATOM 0 H SER A 105 -0.372 -4.015 9.488 1.00 0.00 H new ATOM 0 HA SER A 105 -1.819 -6.462 9.355 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.361 -7.161 11.177 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.555 -6.372 9.908 1.00 0.00 H new ATOM 0 HG SER A 105 -0.103 -4.410 11.507 1.00 0.00 H new ATOM 1612 N ASN A 106 -2.781 -4.241 11.480 1.00 0.00 N ATOM 1613 CA ASN A 106 -3.871 -3.871 12.369 1.00 0.00 C ATOM 1614 C ASN A 106 -5.164 -3.608 11.587 1.00 0.00 C ATOM 1615 O ASN A 106 -6.231 -4.094 11.959 1.00 0.00 O ATOM 1616 CB ASN A 106 -3.485 -2.639 13.190 1.00 0.00 C ATOM 1617 CG ASN A 106 -2.589 -2.967 14.368 1.00 0.00 C ATOM 1618 OD1 ASN A 106 -3.067 -3.212 15.477 1.00 0.00 O ATOM 1619 ND2 ASN A 106 -1.285 -2.978 14.141 1.00 0.00 N ATOM 0 H ASN A 106 -2.212 -3.455 11.165 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.055 -4.706 13.045 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.978 -1.923 12.543 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.391 -2.154 13.554 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.637 -3.195 14.899 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.928 -2.770 13.209 1.00 0.00 H new ATOM 1626 N HIS A 107 -5.068 -2.847 10.495 1.00 0.00 N ATOM 1627 CA HIS A 107 -6.252 -2.502 9.697 1.00 0.00 C ATOM 1628 C HIS A 107 -6.731 -3.684 8.849 1.00 0.00 C ATOM 1629 O HIS A 107 -7.920 -3.988 8.824 1.00 0.00 O ATOM 1630 CB HIS A 107 -5.975 -1.283 8.804 1.00 0.00 C ATOM 1631 CG HIS A 107 -7.063 -0.993 7.806 1.00 0.00 C ATOM 1632 ND1 HIS A 107 -8.301 -0.488 8.150 1.00 0.00 N ATOM 1633 CD2 HIS A 107 -7.090 -1.156 6.461 1.00 0.00 C ATOM 1634 CE1 HIS A 107 -9.035 -0.358 7.059 1.00 0.00 C ATOM 1635 NE2 HIS A 107 -8.326 -0.755 6.023 1.00 0.00 N ATOM 0 H HIS A 107 -4.192 -2.460 10.143 1.00 0.00 H new ATOM 0 HA HIS A 107 -7.049 -2.250 10.397 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.834 -0.407 9.437 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.039 -1.443 8.269 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -6.286 -1.533 5.847 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.049 0.013 7.023 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -8.644 -0.763 5.054 1.00 0.00 H new ATOM 1644 N ALA A 108 -5.813 -4.324 8.140 1.00 0.00 N ATOM 1645 CA ALA A 108 -6.143 -5.489 7.333 1.00 0.00 C ATOM 1646 C ALA A 108 -6.326 -6.699 8.238 1.00 0.00 C ATOM 1647 O ALA A 108 -7.192 -7.542 8.002 1.00 0.00 O ATOM 1648 CB ALA A 108 -5.065 -5.758 6.293 1.00 0.00 C ATOM 0 H ALA A 108 -4.830 -4.055 8.107 1.00 0.00 H new ATOM 0 HA ALA A 108 -7.074 -5.294 6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.338 -6.634 5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.970 -4.894 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.114 -5.939 6.793 1.00 0.00 H new ATOM 1654 N GLY A 109 -5.489 -6.780 9.267 1.00 0.00 N ATOM 1655 CA GLY A 109 -5.657 -7.802 10.288 1.00 0.00 C ATOM 1656 C GLY A 109 -4.725 -8.980 10.115 1.00 0.00 C ATOM 1657 O GLY A 109 -4.434 -9.695 11.073 1.00 0.00 O ATOM 0 H GLY A 109 -4.696 -6.156 9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.490 -7.357 11.269 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -6.687 -8.157 10.270 1.00 0.00 H new ATOM 1661 N VAL A 110 -4.258 -9.190 8.896 1.00 0.00 N ATOM 1662 CA VAL A 110 -3.367 -10.303 8.605 1.00 0.00 C ATOM 1663 C VAL A 110 -1.929 -9.817 8.459 1.00 0.00 C ATOM 1664 O VAL A 110 -1.696 -8.628 8.231 1.00 0.00 O ATOM 1665 CB VAL A 110 -3.796 -11.052 7.320 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -5.167 -11.676 7.505 1.00 0.00 C ATOM 1667 CG2 VAL A 110 -3.791 -10.121 6.115 1.00 0.00 C ATOM 0 H VAL A 110 -4.480 -8.605 8.091 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.429 -10.996 9.444 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.073 -11.846 7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.455 -12.199 6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -5.136 -12.383 8.334 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.896 -10.895 7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.096 -10.674 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.486 -9.299 6.287 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.787 -9.723 5.967 1.00 0.00 H new ATOM 1677 N PRO A 111 -0.947 -10.720 8.613 1.00 0.00 N ATOM 1678 CA PRO A 111 0.467 -10.384 8.426 1.00 0.00 C ATOM 1679 C PRO A 111 0.780 -10.035 6.974 1.00 0.00 C ATOM 1680 O PRO A 111 1.067 -10.911 6.155 1.00 0.00 O ATOM 1681 CB PRO A 111 1.207 -11.657 8.851 1.00 0.00 C ATOM 1682 CG PRO A 111 0.206 -12.749 8.694 1.00 0.00 C ATOM 1683 CD PRO A 111 -1.131 -12.134 8.993 1.00 0.00 C ATOM 0 HA PRO A 111 0.759 -9.507 9.003 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.084 -11.832 8.228 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.557 -11.586 9.881 1.00 0.00 H new ATOM 0 HG2 PRO A 111 0.230 -13.157 7.684 1.00 0.00 H new ATOM 0 HG3 PRO A 111 0.417 -13.573 9.376 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -1.928 -12.605 8.417 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.395 -12.237 10.046 1.00 0.00 H new ATOM 1691 N CYS A 112 0.667 -8.756 6.648 1.00 0.00 N ATOM 1692 CA CYS A 112 0.929 -8.280 5.301 1.00 0.00 C ATOM 1693 C CYS A 112 1.786 -7.016 5.325 1.00 0.00 C ATOM 1694 O CYS A 112 1.827 -6.304 6.329 1.00 0.00 O ATOM 1695 CB CYS A 112 -0.390 -8.047 4.559 1.00 0.00 C ATOM 1696 SG CYS A 112 -1.669 -7.235 5.547 1.00 0.00 S ATOM 0 H CYS A 112 0.393 -8.025 7.305 1.00 0.00 H new ATOM 0 HA CYS A 112 1.492 -9.044 4.764 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -0.193 -7.442 3.674 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -0.772 -9.007 4.211 1.00 0.00 H new ATOM 0 HG CYS A 112 -1.717 -7.779 6.727 1.00 0.00 H new ATOM 1702 N ARG A 113 2.474 -6.750 4.222 1.00 0.00 N ATOM 1703 CA ARG A 113 3.394 -5.624 4.138 1.00 0.00 C ATOM 1704 C ARG A 113 3.153 -4.836 2.850 1.00 0.00 C ATOM 1705 O ARG A 113 2.946 -5.426 1.790 1.00 0.00 O ATOM 1706 CB ARG A 113 4.834 -6.149 4.181 1.00 0.00 C ATOM 1707 CG ARG A 113 5.901 -5.064 4.213 1.00 0.00 C ATOM 1708 CD ARG A 113 7.299 -5.665 4.237 1.00 0.00 C ATOM 1709 NE ARG A 113 7.520 -6.517 5.406 1.00 0.00 N ATOM 1710 CZ ARG A 113 8.720 -6.754 5.943 1.00 0.00 C ATOM 1711 NH1 ARG A 113 9.799 -6.129 5.489 1.00 0.00 N ATOM 1712 NH2 ARG A 113 8.839 -7.590 6.967 1.00 0.00 N ATOM 0 H ARG A 113 2.411 -7.304 3.368 1.00 0.00 H new ATOM 0 HA ARG A 113 3.227 -4.955 4.982 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.951 -6.781 5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 113 5.003 -6.781 3.309 1.00 0.00 H new ATOM 0 HG2 ARG A 113 5.794 -4.420 3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 113 5.758 -4.436 5.092 1.00 0.00 H new ATOM 0 HD2 ARG A 113 7.456 -6.249 3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 113 8.037 -4.863 4.231 1.00 0.00 H new ATOM 0 HE ARG A 113 6.707 -6.957 5.838 1.00 0.00 H new ATOM 0 HH11 ARG A 113 9.717 -5.460 4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 113 10.711 -6.317 5.906 1.00 0.00 H new ATOM 0 HH21 ARG A 113 8.013 -8.053 7.346 1.00 0.00 H new ATOM 0 HH22 ARG A 113 9.756 -7.769 7.375 1.00 0.00 H new ATOM 1726 N ILE A 114 3.167 -3.510 2.946 1.00 0.00 N ATOM 1727 CA ILE A 114 2.987 -2.655 1.773 1.00 0.00 C ATOM 1728 C ILE A 114 4.277 -2.608 0.959 1.00 0.00 C ATOM 1729 O ILE A 114 5.354 -2.346 1.497 1.00 0.00 O ATOM 1730 CB ILE A 114 2.561 -1.209 2.156 1.00 0.00 C ATOM 1731 CG1 ILE A 114 1.087 -1.146 2.582 1.00 0.00 C ATOM 1732 CG2 ILE A 114 2.800 -0.244 1.003 1.00 0.00 C ATOM 1733 CD1 ILE A 114 0.782 -1.845 3.886 1.00 0.00 C ATOM 0 H ILE A 114 3.301 -3.003 3.821 1.00 0.00 H new ATOM 0 HA ILE A 114 2.184 -3.090 1.178 1.00 0.00 H new ATOM 0 HB ILE A 114 3.178 -0.912 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 114 0.791 -0.100 2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.475 -1.588 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.493 0.759 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.859 -0.239 0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 114 2.219 -0.561 0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.281 -1.751 4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.043 -2.900 3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 114 1.363 -1.389 4.688 1.00 0.00 H new ATOM 1745 N LEU A 115 4.158 -2.866 -0.335 1.00 0.00 N ATOM 1746 CA LEU A 115 5.308 -2.907 -1.224 1.00 0.00 C ATOM 1747 C LEU A 115 5.035 -2.082 -2.478 1.00 0.00 C ATOM 1748 O LEU A 115 3.916 -2.062 -2.989 1.00 0.00 O ATOM 1749 CB LEU A 115 5.628 -4.355 -1.612 1.00 0.00 C ATOM 1750 CG LEU A 115 5.894 -5.306 -0.439 1.00 0.00 C ATOM 1751 CD1 LEU A 115 6.112 -6.721 -0.938 1.00 0.00 C ATOM 1752 CD2 LEU A 115 7.098 -4.850 0.365 1.00 0.00 C ATOM 0 H LEU A 115 3.267 -3.052 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 115 6.166 -2.484 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.796 -4.749 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.502 -4.354 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 115 5.018 -5.291 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.299 -7.381 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 115 5.224 -7.059 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.970 -6.742 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.266 -5.541 1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.978 -4.831 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.915 -3.850 0.759 1.00 0.00 H new ATOM 1764 N LYS A 116 6.055 -1.401 -2.969 1.00 0.00 N ATOM 1765 CA LYS A 116 5.911 -0.571 -4.154 1.00 0.00 C ATOM 1766 C LYS A 116 6.604 -1.231 -5.339 1.00 0.00 C ATOM 1767 O LYS A 116 7.808 -1.482 -5.293 1.00 0.00 O ATOM 1768 CB LYS A 116 6.524 0.810 -3.913 1.00 0.00 C ATOM 1769 CG LYS A 116 5.983 1.895 -4.834 1.00 0.00 C ATOM 1770 CD LYS A 116 6.919 3.096 -4.918 1.00 0.00 C ATOM 1771 CE LYS A 116 7.435 3.526 -3.550 1.00 0.00 C ATOM 1772 NZ LYS A 116 6.345 3.897 -2.612 1.00 0.00 N ATOM 0 H LYS A 116 6.992 -1.406 -2.566 1.00 0.00 H new ATOM 0 HA LYS A 116 4.849 -0.458 -4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 116 6.342 1.102 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.604 0.744 -4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 116 5.834 1.482 -5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 116 5.007 2.221 -4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 116 7.764 2.851 -5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 116 6.395 3.930 -5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 116 8.020 2.715 -3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.108 4.375 -3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 6.753 4.164 -1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 5.811 4.700 -3.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 5.706 3.086 -2.484 1.00 0.00 H new ATOM 1786 N VAL A 117 5.855 -1.515 -6.393 1.00 0.00 N ATOM 1787 CA VAL A 117 6.433 -2.117 -7.588 1.00 0.00 C ATOM 1788 C VAL A 117 7.407 -1.144 -8.245 1.00 0.00 C ATOM 1789 O VAL A 117 7.021 -0.062 -8.692 1.00 0.00 O ATOM 1790 CB VAL A 117 5.349 -2.531 -8.606 1.00 0.00 C ATOM 1791 CG1 VAL A 117 5.975 -3.180 -9.830 1.00 0.00 C ATOM 1792 CG2 VAL A 117 4.342 -3.469 -7.965 1.00 0.00 C ATOM 0 H VAL A 117 4.852 -1.340 -6.447 1.00 0.00 H new ATOM 0 HA VAL A 117 6.963 -3.017 -7.277 1.00 0.00 H new ATOM 0 HB VAL A 117 4.826 -1.630 -8.927 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.191 -3.463 -10.533 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.654 -2.474 -10.309 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.529 -4.069 -9.527 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.587 -3.749 -8.699 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.853 -4.364 -7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.862 -2.968 -7.124 1.00 0.00 H new ATOM 1802 N HIS A 118 8.676 -1.529 -8.287 1.00 0.00 N ATOM 1803 CA HIS A 118 9.714 -0.667 -8.826 1.00 0.00 C ATOM 1804 C HIS A 118 9.652 -0.687 -10.353 1.00 0.00 C ATOM 1805 O HIS A 118 9.531 -1.756 -10.956 1.00 0.00 O ATOM 1806 CB HIS A 118 11.090 -1.128 -8.322 1.00 0.00 C ATOM 1807 CG HIS A 118 12.116 -0.035 -8.252 1.00 0.00 C ATOM 1808 ND1 HIS A 118 13.402 -0.181 -8.707 1.00 0.00 N ATOM 1809 CD2 HIS A 118 12.045 1.219 -7.740 1.00 0.00 C ATOM 1810 CE1 HIS A 118 14.079 0.924 -8.480 1.00 0.00 C ATOM 1811 NE2 HIS A 118 13.280 1.794 -7.896 1.00 0.00 N ATOM 0 H HIS A 118 9.009 -2.434 -7.953 1.00 0.00 H new ATOM 0 HA HIS A 118 9.555 0.357 -8.487 1.00 0.00 H new ATOM 0 HB2 HIS A 118 10.974 -1.566 -7.331 1.00 0.00 H new ATOM 0 HB3 HIS A 118 11.459 -1.917 -8.978 1.00 0.00 H new ATOM 0 HD1 HIS A 118 13.776 -1.018 -9.153 1.00 0.00 H new ATOM 0 HD2 HIS A 118 11.177 1.679 -7.292 1.00 0.00 H new ATOM 0 HE1 HIS A 118 15.116 1.090 -8.730 1.00 0.00 H new ATOM 1820 N PRO A 119 9.714 0.499 -10.990 1.00 0.00 N ATOM 1821 CA PRO A 119 9.598 0.644 -12.453 1.00 0.00 C ATOM 1822 C PRO A 119 10.635 -0.151 -13.254 1.00 0.00 C ATOM 1823 O PRO A 119 10.576 -0.170 -14.484 1.00 0.00 O ATOM 1824 CB PRO A 119 9.776 2.149 -12.700 1.00 0.00 C ATOM 1825 CG PRO A 119 10.317 2.713 -11.430 1.00 0.00 C ATOM 1826 CD PRO A 119 9.854 1.805 -10.329 1.00 0.00 C ATOM 0 HA PRO A 119 8.642 0.245 -12.792 1.00 0.00 H new ATOM 0 HB2 PRO A 119 10.459 2.330 -13.530 1.00 0.00 H new ATOM 0 HB3 PRO A 119 8.827 2.616 -12.961 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.405 2.762 -11.460 1.00 0.00 H new ATOM 0 HG3 PRO A 119 9.956 3.729 -11.272 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.575 1.765 -9.513 1.00 0.00 H new ATOM 0 HD3 PRO A 119 8.909 2.142 -9.903 1.00 0.00 H new ATOM 1834 N ASP A 120 11.587 -0.791 -12.571 1.00 0.00 N ATOM 1835 CA ASP A 120 12.521 -1.705 -13.235 1.00 0.00 C ATOM 1836 C ASP A 120 11.738 -2.758 -13.997 1.00 0.00 C ATOM 1837 O ASP A 120 12.040 -3.076 -15.146 1.00 0.00 O ATOM 1838 CB ASP A 120 13.435 -2.423 -12.232 1.00 0.00 C ATOM 1839 CG ASP A 120 14.376 -1.504 -11.487 1.00 0.00 C ATOM 1840 OD1 ASP A 120 14.863 -0.520 -12.080 1.00 0.00 O ATOM 1841 OD2 ASP A 120 14.620 -1.760 -10.290 1.00 0.00 O ATOM 0 H ASP A 120 11.732 -0.695 -11.566 1.00 0.00 H new ATOM 0 HA ASP A 120 13.140 -1.108 -13.905 1.00 0.00 H new ATOM 0 HB2 ASP A 120 12.816 -2.955 -11.509 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.021 -3.173 -12.763 1.00 0.00 H new ATOM 1846 N MET A 121 10.717 -3.281 -13.335 1.00 0.00 N ATOM 1847 CA MET A 121 9.872 -4.306 -13.920 1.00 0.00 C ATOM 1848 C MET A 121 8.657 -3.682 -14.586 1.00 0.00 C ATOM 1849 O MET A 121 8.430 -3.877 -15.780 1.00 0.00 O ATOM 1850 CB MET A 121 9.423 -5.310 -12.854 1.00 0.00 C ATOM 1851 CG MET A 121 10.558 -6.137 -12.271 1.00 0.00 C ATOM 1852 SD MET A 121 11.334 -7.210 -13.495 1.00 0.00 S ATOM 1853 CE MET A 121 12.531 -8.075 -12.480 1.00 0.00 C ATOM 0 H MET A 121 10.454 -3.009 -12.388 1.00 0.00 H new ATOM 0 HA MET A 121 10.455 -4.833 -14.675 1.00 0.00 H new ATOM 0 HB2 MET A 121 8.927 -4.771 -12.047 1.00 0.00 H new ATOM 0 HB3 MET A 121 8.683 -5.982 -13.290 1.00 0.00 H new ATOM 0 HG2 MET A 121 11.310 -5.470 -11.850 1.00 0.00 H new ATOM 0 HG3 MET A 121 10.176 -6.745 -11.451 1.00 0.00 H new ATOM 0 HE1 MET A 121 13.091 -8.777 -13.097 1.00 0.00 H new ATOM 0 HE2 MET A 121 13.218 -7.355 -12.034 1.00 0.00 H new ATOM 0 HE3 MET A 121 12.013 -8.619 -11.690 1.00 0.00 H new ATOM 1863 N ALA A 122 7.897 -2.918 -13.800 1.00 0.00 N ATOM 1864 CA ALA A 122 6.633 -2.330 -14.251 1.00 0.00 C ATOM 1865 C ALA A 122 5.650 -3.425 -14.661 1.00 0.00 C ATOM 1866 O ALA A 122 5.925 -4.610 -14.462 1.00 0.00 O ATOM 1867 CB ALA A 122 6.865 -1.349 -15.393 1.00 0.00 C ATOM 0 H ALA A 122 8.138 -2.689 -12.836 1.00 0.00 H new ATOM 0 HA ALA A 122 6.198 -1.775 -13.420 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.911 -0.927 -15.709 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.523 -0.548 -15.056 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.327 -1.870 -16.232 1.00 0.00 H new ATOM 1873 N GLU A 123 4.506 -3.026 -15.221 1.00 0.00 N ATOM 1874 CA GLU A 123 3.487 -3.982 -15.655 1.00 0.00 C ATOM 1875 C GLU A 123 3.057 -4.846 -14.462 1.00 0.00 C ATOM 1876 O GLU A 123 2.944 -4.338 -13.344 1.00 0.00 O ATOM 1877 CB GLU A 123 4.052 -4.847 -16.798 1.00 0.00 C ATOM 1878 CG GLU A 123 3.078 -5.109 -17.944 1.00 0.00 C ATOM 1879 CD GLU A 123 1.938 -6.034 -17.571 1.00 0.00 C ATOM 1880 OE1 GLU A 123 2.209 -7.193 -17.189 1.00 0.00 O ATOM 1881 OE2 GLU A 123 0.765 -5.616 -17.668 1.00 0.00 O ATOM 0 H GLU A 123 4.263 -2.049 -15.384 1.00 0.00 H new ATOM 0 HA GLU A 123 2.609 -3.454 -16.027 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.940 -4.359 -17.199 1.00 0.00 H new ATOM 0 HB3 GLU A 123 4.373 -5.804 -16.386 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.667 -4.159 -18.285 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.625 -5.539 -18.783 1.00 0.00 H new ATOM 1888 N VAL A 124 2.822 -6.132 -14.713 1.00 0.00 N ATOM 1889 CA VAL A 124 2.484 -7.103 -13.674 1.00 0.00 C ATOM 1890 C VAL A 124 1.078 -6.881 -13.128 1.00 0.00 C ATOM 1891 O VAL A 124 0.785 -5.864 -12.500 1.00 0.00 O ATOM 1892 CB VAL A 124 3.494 -7.098 -12.504 1.00 0.00 C ATOM 1893 CG1 VAL A 124 3.137 -8.164 -11.491 1.00 0.00 C ATOM 1894 CG2 VAL A 124 4.913 -7.300 -13.009 1.00 0.00 C ATOM 0 H VAL A 124 2.861 -6.533 -15.650 1.00 0.00 H new ATOM 0 HA VAL A 124 2.529 -8.078 -14.159 1.00 0.00 H new ATOM 0 HB VAL A 124 3.443 -6.124 -12.017 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.859 -8.146 -10.674 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.139 -7.972 -11.097 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.156 -9.143 -11.971 1.00 0.00 H new ATOM 0 HG21 VAL A 124 5.604 -7.292 -12.166 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.982 -8.257 -13.526 1.00 0.00 H new ATOM 0 HG23 VAL A 124 5.172 -6.496 -13.698 1.00 0.00 H new ATOM 1904 N ARG A 125 0.207 -7.839 -13.384 1.00 0.00 N ATOM 1905 CA ARG A 125 -1.131 -7.822 -12.828 1.00 0.00 C ATOM 1906 C ARG A 125 -1.394 -9.109 -12.067 1.00 0.00 C ATOM 1907 O ARG A 125 -0.812 -10.151 -12.378 1.00 0.00 O ATOM 1908 CB ARG A 125 -2.183 -7.645 -13.925 1.00 0.00 C ATOM 1909 CG ARG A 125 -2.133 -6.292 -14.619 1.00 0.00 C ATOM 1910 CD ARG A 125 -3.243 -6.158 -15.650 1.00 0.00 C ATOM 1911 NE ARG A 125 -3.112 -7.139 -16.728 1.00 0.00 N ATOM 1912 CZ ARG A 125 -4.135 -7.594 -17.453 1.00 0.00 C ATOM 1913 NH1 ARG A 125 -5.368 -7.174 -17.210 1.00 0.00 N ATOM 1914 NH2 ARG A 125 -3.925 -8.469 -18.426 1.00 0.00 N ATOM 0 H ARG A 125 0.405 -8.644 -13.978 1.00 0.00 H new ATOM 0 HA ARG A 125 -1.202 -6.975 -12.146 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -2.051 -8.429 -14.671 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -3.173 -7.782 -13.490 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.224 -5.497 -13.878 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.165 -6.166 -15.105 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -4.209 -6.284 -15.161 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.227 -5.153 -16.071 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.180 -7.497 -16.938 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -5.539 -6.499 -16.465 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -6.146 -7.526 -17.768 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.979 -8.796 -18.622 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -4.709 -8.815 -18.979 1.00 0.00 H new ATOM 1928 N TRP A 126 -2.239 -9.007 -11.045 1.00 0.00 N ATOM 1929 CA TRP A 126 -2.727 -10.159 -10.292 1.00 0.00 C ATOM 1930 C TRP A 126 -3.141 -11.278 -11.252 1.00 0.00 C ATOM 1931 O TRP A 126 -3.691 -10.998 -12.321 1.00 0.00 O ATOM 1932 CB TRP A 126 -3.927 -9.722 -9.432 1.00 0.00 C ATOM 1933 CG TRP A 126 -4.165 -10.586 -8.230 1.00 0.00 C ATOM 1934 CD1 TRP A 126 -3.557 -10.474 -7.016 1.00 0.00 C ATOM 1935 CD2 TRP A 126 -5.071 -11.690 -8.126 1.00 0.00 C ATOM 1936 NE1 TRP A 126 -4.012 -11.452 -6.167 1.00 0.00 N ATOM 1937 CE2 TRP A 126 -4.944 -12.211 -6.825 1.00 0.00 C ATOM 1938 CE3 TRP A 126 -5.971 -12.294 -9.008 1.00 0.00 C ATOM 1939 CZ2 TRP A 126 -5.683 -13.306 -6.387 1.00 0.00 C ATOM 1940 CZ3 TRP A 126 -6.705 -13.379 -8.572 1.00 0.00 C ATOM 1941 CH2 TRP A 126 -6.556 -13.876 -7.273 1.00 0.00 C ATOM 0 H TRP A 126 -2.607 -8.116 -10.713 1.00 0.00 H new ATOM 0 HA TRP A 126 -1.935 -10.538 -9.646 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.769 -8.695 -9.103 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -4.824 -9.724 -10.051 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -2.823 -9.724 -6.759 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -3.706 -11.591 -5.204 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.090 -11.918 -10.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -5.571 -13.692 -5.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -7.405 -13.852 -9.245 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -7.143 -14.728 -6.963 1.00 0.00 H new ATOM 1952 N PRO A 127 -2.873 -12.555 -10.887 1.00 0.00 N ATOM 1953 CA PRO A 127 -3.145 -13.718 -11.739 1.00 0.00 C ATOM 1954 C PRO A 127 -4.488 -13.625 -12.456 1.00 0.00 C ATOM 1955 O PRO A 127 -5.543 -13.515 -11.833 1.00 0.00 O ATOM 1956 CB PRO A 127 -3.126 -14.904 -10.756 1.00 0.00 C ATOM 1957 CG PRO A 127 -2.997 -14.295 -9.397 1.00 0.00 C ATOM 1958 CD PRO A 127 -2.306 -12.984 -9.608 1.00 0.00 C ATOM 0 HA PRO A 127 -2.413 -13.808 -12.542 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -4.039 -15.495 -10.836 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -2.293 -15.575 -10.966 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -3.975 -14.153 -8.936 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.422 -14.939 -8.732 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -2.518 -12.275 -8.807 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -1.223 -13.095 -9.657 1.00 0.00 H new ATOM 1966 N SER A 128 -4.435 -13.690 -13.773 1.00 0.00 N ATOM 1967 CA SER A 128 -5.603 -13.475 -14.601 1.00 0.00 C ATOM 1968 C SER A 128 -6.265 -14.801 -14.925 1.00 0.00 C ATOM 1969 O SER A 128 -6.679 -15.053 -16.055 1.00 0.00 O ATOM 1970 CB SER A 128 -5.197 -12.751 -15.885 1.00 0.00 C ATOM 1971 OG SER A 128 -4.465 -11.568 -15.598 1.00 0.00 O ATOM 0 H SER A 128 -3.583 -13.893 -14.296 1.00 0.00 H new ATOM 0 HA SER A 128 -6.319 -12.857 -14.059 1.00 0.00 H new ATOM 0 HB2 SER A 128 -4.593 -13.414 -16.504 1.00 0.00 H new ATOM 0 HB3 SER A 128 -6.088 -12.500 -16.461 1.00 0.00 H new ATOM 0 HG SER A 128 -4.216 -11.126 -16.436 1.00 0.00 H new ATOM 1977 N LEU A 129 -6.376 -15.639 -13.909 1.00 0.00 N ATOM 1978 CA LEU A 129 -7.039 -16.932 -14.038 1.00 0.00 C ATOM 1979 C LEU A 129 -8.560 -16.770 -14.035 1.00 0.00 C ATOM 1980 O LEU A 129 -9.289 -17.709 -13.720 1.00 0.00 O ATOM 1981 CB LEU A 129 -6.628 -17.870 -12.895 1.00 0.00 C ATOM 1982 CG LEU A 129 -7.141 -17.473 -11.505 1.00 0.00 C ATOM 1983 CD1 LEU A 129 -7.354 -18.708 -10.645 1.00 0.00 C ATOM 1984 CD2 LEU A 129 -6.169 -16.531 -10.817 1.00 0.00 C ATOM 0 H LEU A 129 -6.013 -15.447 -12.975 1.00 0.00 H new ATOM 0 HA LEU A 129 -6.729 -17.366 -14.989 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -6.987 -18.874 -13.124 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -5.540 -17.920 -12.862 1.00 0.00 H new ATOM 0 HG LEU A 129 -8.093 -16.958 -11.634 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -7.718 -18.409 -9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -8.087 -19.360 -11.120 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -6.410 -19.242 -10.535 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -6.555 -16.264 -9.833 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -5.203 -17.023 -10.706 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -6.050 -15.629 -11.417 1.00 0.00 H new ATOM 1996 N GLU A 130 -9.025 -15.586 -14.410 1.00 0.00 N ATOM 1997 CA GLU A 130 -10.446 -15.272 -14.390 1.00 0.00 C ATOM 1998 C GLU A 130 -11.193 -16.076 -15.454 1.00 0.00 C ATOM 1999 O GLU A 130 -11.245 -15.641 -16.623 1.00 0.00 O ATOM 2000 CB GLU A 130 -10.672 -13.759 -14.569 1.00 0.00 C ATOM 2001 CG GLU A 130 -9.860 -13.125 -15.693 1.00 0.00 C ATOM 2002 CD GLU A 130 -10.117 -11.638 -15.843 1.00 0.00 C ATOM 2003 OE1 GLU A 130 -11.206 -11.260 -16.323 1.00 0.00 O ATOM 2004 OE2 GLU A 130 -9.226 -10.835 -15.493 1.00 0.00 O ATOM 0 H GLU A 130 -8.432 -14.822 -14.734 1.00 0.00 H new ATOM 0 HA GLU A 130 -10.848 -15.555 -13.417 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -11.731 -13.583 -14.759 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -10.428 -13.255 -13.634 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.799 -13.288 -15.504 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -10.097 -13.626 -16.632 1.00 0.00 H new TER 2011 GLU A 130