USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 967 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 MET CE :methyl 164:sc= -0.0574 (180deg=-0.55) USER MOD Set 1.2: A 144 MET CE :methyl 153:sc= -0.791 (180deg=-1.63) USER MOD Set 1.3: A 145 MET CE :methyl -135:sc= -0.196 (180deg=-0.643) USER MOD Set 2.1: A 107 HIS : no HD1:sc= -2.79! K(o=-6.3!,f=0.87) USER MOD Set 2.2: A 111 ASN : amide:sc= -3.53! C(o=-6.3!,f=-1.4!) USER MOD Set 3.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 8 GLN : amide:sc= 0 X(o=0,f=0.047) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -37:sc= 1.25 USER MOD Single : A 28 THR OG1 : rot -64:sc= 0.867 USER MOD Single : A 29 THR OG1 : rot 137:sc= 0.657 USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 0.451 (180deg=0.255) USER MOD Single : A 34 THR OG1 : rot 71:sc= 0.414 USER MOD Single : A 38 SER OG : rot 72:sc= 0.0637 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.5!) USER MOD Single : A 60 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.2) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 83:sc= 0.836 USER MOD Single : A 71 MET CE :methyl -173:sc= -0.572 (180deg=-0.801) USER MOD Single : A 72 MET CE :methyl 178:sc= 0 (180deg=-0.00789) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.224 X(o=0.22,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -74:sc= 0.986 USER MOD Single : A 110 THR OG1 : rot 70:sc= 1.21 USER MOD Single : A 115 LYS NZ :NH3+ -166:sc=-0.00216 (180deg=-0.25) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0294 USER MOD Single : A 124 MET CE :methyl -166:sc=-0.00012 (180deg=-0.216) USER MOD Single : A 135 GLN : amide:sc= -0.0145 X(o=-0.015,f=-0.24) USER MOD Single : A 137 ASN : amide:sc= 0.00479 K(o=0.0048,f=-5.7!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -11.965 15.375 0.969 1.00 0.00 N ATOM 59 CA THR A 5 -12.442 16.575 0.355 1.00 0.00 C ATOM 60 C THR A 5 -13.802 16.405 -0.230 1.00 0.00 C ATOM 61 O THR A 5 -14.201 15.261 -0.442 1.00 0.00 O ATOM 62 CB THR A 5 -11.503 17.295 -0.567 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.176 16.542 -1.726 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.169 17.594 0.139 1.00 0.00 C ATOM 0 HA THR A 5 -12.510 17.264 1.197 1.00 0.00 H new ATOM 0 HB THR A 5 -12.029 18.205 -0.854 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.564 17.059 -2.290 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.503 18.116 -0.548 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.352 18.219 1.013 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.706 16.659 0.453 1.00 0.00 H new ATOM 72 N GLU A 6 -14.614 17.435 -0.526 1.00 0.00 N ATOM 73 CA GLU A 6 -15.916 17.298 -1.100 1.00 0.00 C ATOM 74 C GLU A 6 -15.852 16.606 -2.418 1.00 0.00 C ATOM 75 O GLU A 6 -16.785 15.856 -2.702 1.00 0.00 O ATOM 76 CB GLU A 6 -16.625 18.650 -1.288 1.00 0.00 C ATOM 77 CG GLU A 6 -16.807 19.423 0.020 1.00 0.00 C ATOM 78 CD GLU A 6 -17.903 18.775 0.853 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.773 18.001 0.372 1.00 0.00 O ATOM 80 OE2 GLU A 6 -17.883 19.050 2.083 1.00 0.00 O ATOM 0 H GLU A 6 -14.351 18.406 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.492 16.701 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.051 19.260 -1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.602 18.481 -1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.871 19.435 0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.065 20.461 -0.193 1.00 0.00 H new ATOM 87 N GLU A 7 -14.839 16.769 -3.288 1.00 0.00 N ATOM 88 CA GLU A 7 -14.620 15.987 -4.465 1.00 0.00 C ATOM 89 C GLU A 7 -14.361 14.533 -4.265 1.00 0.00 C ATOM 90 O GLU A 7 -14.784 13.659 -5.020 1.00 0.00 O ATOM 91 CB GLU A 7 -13.428 16.645 -5.180 1.00 0.00 C ATOM 92 CG GLU A 7 -13.803 18.007 -5.767 1.00 0.00 C ATOM 93 CD GLU A 7 -12.643 18.858 -6.265 1.00 0.00 C ATOM 94 OE1 GLU A 7 -11.881 19.349 -5.391 1.00 0.00 O ATOM 95 OE2 GLU A 7 -12.593 19.187 -7.481 1.00 0.00 O ATOM 0 H GLU A 7 -14.130 17.491 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.547 15.988 -5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.604 16.766 -4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.075 15.990 -5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.493 17.847 -6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.343 18.572 -5.008 1.00 0.00 H new ATOM 102 N GLN A 8 -13.646 14.124 -3.202 1.00 0.00 N ATOM 103 CA GLN A 8 -13.428 12.723 -3.018 1.00 0.00 C ATOM 104 C GLN A 8 -14.627 12.042 -2.453 1.00 0.00 C ATOM 105 O GLN A 8 -14.831 10.906 -2.877 1.00 0.00 O ATOM 106 CB GLN A 8 -12.337 12.453 -1.967 1.00 0.00 C ATOM 107 CG GLN A 8 -10.969 12.973 -2.412 1.00 0.00 C ATOM 108 CD GLN A 8 -9.864 12.675 -1.408 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.671 13.370 -0.412 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.149 11.539 -1.628 1.00 0.00 N ATOM 0 H GLN A 8 -13.234 14.734 -2.496 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.165 12.354 -4.009 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.616 12.927 -1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.273 11.381 -1.778 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.711 12.525 -3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.029 14.050 -2.569 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.326 10.978 -2.461 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.436 11.248 -0.960 1.00 0.00 H new ATOM 119 N ILE A 9 -15.413 12.691 -1.575 1.00 0.00 N ATOM 120 CA ILE A 9 -16.612 12.141 -1.022 1.00 0.00 C ATOM 121 C ILE A 9 -17.679 12.028 -2.056 1.00 0.00 C ATOM 122 O ILE A 9 -18.363 11.012 -2.162 1.00 0.00 O ATOM 123 CB ILE A 9 -17.131 12.929 0.144 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.017 12.816 1.199 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.469 12.375 0.663 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.414 13.472 2.520 1.00 0.00 C ATOM 0 H ILE A 9 -15.207 13.631 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.345 11.148 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.347 13.964 -0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.785 11.765 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.109 13.285 0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.808 12.975 1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.213 12.415 -0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.335 11.342 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.599 13.369 3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.620 14.529 2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.307 12.986 2.914 1.00 0.00 H new ATOM 138 N ALA A 10 -17.758 13.061 -2.914 1.00 0.00 N ATOM 139 CA ALA A 10 -18.604 13.002 -4.066 1.00 0.00 C ATOM 140 C ALA A 10 -18.453 11.758 -4.872 1.00 0.00 C ATOM 141 O ALA A 10 -19.409 11.061 -5.209 1.00 0.00 O ATOM 142 CB ALA A 10 -18.275 14.254 -4.895 1.00 0.00 C ATOM 0 H ALA A 10 -17.239 13.933 -2.811 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.647 12.978 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.892 14.268 -5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.477 15.146 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.222 14.237 -5.178 1.00 0.00 H new ATOM 148 N GLU A 11 -17.206 11.431 -5.254 1.00 0.00 N ATOM 149 CA GLU A 11 -16.886 10.261 -6.011 1.00 0.00 C ATOM 150 C GLU A 11 -16.931 8.968 -5.271 1.00 0.00 C ATOM 151 O GLU A 11 -17.073 7.909 -5.880 1.00 0.00 O ATOM 152 CB GLU A 11 -15.516 10.261 -6.710 1.00 0.00 C ATOM 153 CG GLU A 11 -15.269 11.370 -7.734 1.00 0.00 C ATOM 154 CD GLU A 11 -14.070 11.153 -8.647 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.942 11.297 -8.104 1.00 0.00 O ATOM 156 OE2 GLU A 11 -14.258 10.724 -9.816 1.00 0.00 O ATOM 0 H GLU A 11 -16.391 12.002 -5.028 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.696 10.324 -6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.743 10.326 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.389 9.301 -7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.161 11.478 -8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.134 12.311 -7.201 1.00 0.00 H new ATOM 163 N PHE A 12 -16.862 9.007 -3.929 1.00 0.00 N ATOM 164 CA PHE A 12 -16.944 7.814 -3.145 1.00 0.00 C ATOM 165 C PHE A 12 -18.391 7.556 -2.904 1.00 0.00 C ATOM 166 O PHE A 12 -18.838 6.419 -2.761 1.00 0.00 O ATOM 167 CB PHE A 12 -16.197 7.972 -1.809 1.00 0.00 C ATOM 168 CG PHE A 12 -14.708 7.953 -1.802 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.974 8.138 -2.950 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.032 7.752 -0.621 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.613 8.315 -2.866 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.697 8.051 -0.489 1.00 0.00 C ATOM 173 CZ PHE A 12 -11.985 8.284 -1.643 1.00 0.00 C ATOM 0 H PHE A 12 -16.750 9.864 -3.387 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.477 6.981 -3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.515 8.915 -1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.538 7.177 -1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.464 8.144 -3.912 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.565 7.348 0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.035 8.479 -3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.226 8.101 0.482 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.918 8.445 -1.588 1.00 0.00 H new ATOM 183 N LYS A 13 -19.307 8.539 -2.968 1.00 0.00 N ATOM 184 CA LYS A 13 -20.711 8.482 -3.232 1.00 0.00 C ATOM 185 C LYS A 13 -21.067 7.973 -4.587 1.00 0.00 C ATOM 186 O LYS A 13 -21.902 7.070 -4.605 1.00 0.00 O ATOM 187 CB LYS A 13 -21.388 9.809 -2.850 1.00 0.00 C ATOM 188 CG LYS A 13 -22.877 9.679 -2.523 1.00 0.00 C ATOM 189 CD LYS A 13 -23.402 10.713 -1.525 1.00 0.00 C ATOM 190 CE LYS A 13 -24.685 10.326 -0.787 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.225 11.515 -0.092 1.00 0.00 N ATOM 0 H LYS A 13 -19.017 9.504 -2.812 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.126 7.713 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.873 10.232 -1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.268 10.516 -3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.448 9.764 -3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.062 8.682 -2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.624 10.907 -0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.578 11.648 -2.056 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -25.420 9.937 -1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -24.480 9.532 -0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.098 11.256 0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.523 11.867 0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.434 12.259 -0.788 1.00 0.00 H new ATOM 205 N GLU A 14 -20.484 8.357 -5.736 1.00 0.00 N ATOM 206 CA GLU A 14 -20.778 7.852 -7.042 1.00 0.00 C ATOM 207 C GLU A 14 -20.379 6.423 -7.181 1.00 0.00 C ATOM 208 O GLU A 14 -21.055 5.565 -7.745 1.00 0.00 O ATOM 209 CB GLU A 14 -19.961 8.544 -8.145 1.00 0.00 C ATOM 210 CG GLU A 14 -20.394 10.009 -8.235 1.00 0.00 C ATOM 211 CD GLU A 14 -21.806 10.188 -8.773 1.00 0.00 C ATOM 212 OE1 GLU A 14 -22.063 9.683 -9.898 1.00 0.00 O ATOM 213 OE2 GLU A 14 -22.602 11.003 -8.235 1.00 0.00 O ATOM 0 H GLU A 14 -19.756 9.071 -5.753 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.850 8.018 -7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.896 8.478 -7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.119 8.045 -9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.330 10.461 -7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.697 10.548 -8.877 1.00 0.00 H new ATOM 220 N ALA A 15 -19.258 6.010 -6.563 1.00 0.00 N ATOM 221 CA ALA A 15 -18.828 4.646 -6.536 1.00 0.00 C ATOM 222 C ALA A 15 -19.718 3.787 -5.705 1.00 0.00 C ATOM 223 O ALA A 15 -20.012 2.641 -6.039 1.00 0.00 O ATOM 224 CB ALA A 15 -17.419 4.535 -5.930 1.00 0.00 C ATOM 0 H ALA A 15 -18.632 6.644 -6.067 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.848 4.307 -7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.109 3.490 -5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.718 5.114 -6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.430 4.922 -4.911 1.00 0.00 H new ATOM 230 N PHE A 16 -20.245 4.302 -4.579 1.00 0.00 N ATOM 231 CA PHE A 16 -21.046 3.575 -3.644 1.00 0.00 C ATOM 232 C PHE A 16 -22.253 2.967 -4.270 1.00 0.00 C ATOM 233 O PHE A 16 -22.428 1.750 -4.239 1.00 0.00 O ATOM 234 CB PHE A 16 -21.401 4.497 -2.465 1.00 0.00 C ATOM 235 CG PHE A 16 -22.098 3.775 -1.364 1.00 0.00 C ATOM 236 CD1 PHE A 16 -21.358 3.087 -0.431 1.00 0.00 C ATOM 237 CD2 PHE A 16 -23.452 3.926 -1.175 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.962 2.697 0.741 1.00 0.00 C ATOM 239 CE2 PHE A 16 -24.060 3.457 -0.035 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.333 2.691 0.845 1.00 0.00 C ATOM 0 H PHE A 16 -20.105 5.275 -4.308 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.465 2.731 -3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.490 4.952 -2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.035 5.309 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -20.319 2.857 -0.616 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -24.045 4.419 -1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -21.357 2.394 1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -25.096 3.687 0.167 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.827 2.098 1.601 1.00 0.00 H new ATOM 250 N SER A 17 -23.065 3.785 -4.964 1.00 0.00 N ATOM 251 CA SER A 17 -24.253 3.485 -5.702 1.00 0.00 C ATOM 252 C SER A 17 -23.915 2.622 -6.869 1.00 0.00 C ATOM 253 O SER A 17 -24.716 1.763 -7.235 1.00 0.00 O ATOM 254 CB SER A 17 -25.150 4.690 -6.030 1.00 0.00 C ATOM 255 OG SER A 17 -24.456 5.659 -6.802 1.00 0.00 O ATOM 0 H SER A 17 -22.858 4.783 -5.011 1.00 0.00 H new ATOM 0 HA SER A 17 -24.905 2.915 -5.041 1.00 0.00 H new ATOM 0 HB2 SER A 17 -26.031 4.352 -6.575 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.503 5.145 -5.105 1.00 0.00 H new ATOM 0 HG SER A 17 -25.053 6.412 -6.996 1.00 0.00 H new ATOM 261 N LEU A 18 -22.776 2.821 -7.555 1.00 0.00 N ATOM 262 CA LEU A 18 -22.491 2.026 -8.709 1.00 0.00 C ATOM 263 C LEU A 18 -22.377 0.571 -8.408 1.00 0.00 C ATOM 264 O LEU A 18 -22.788 -0.328 -9.140 1.00 0.00 O ATOM 265 CB LEU A 18 -21.206 2.427 -9.454 1.00 0.00 C ATOM 266 CG LEU A 18 -21.135 2.076 -10.949 1.00 0.00 C ATOM 267 CD1 LEU A 18 -21.892 3.015 -11.904 1.00 0.00 C ATOM 268 CD2 LEU A 18 -19.650 2.090 -11.350 1.00 0.00 C ATOM 0 H LEU A 18 -22.067 3.515 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.355 2.220 -9.345 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -21.075 3.504 -9.351 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.361 1.954 -8.953 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.623 1.107 -11.053 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -21.769 2.667 -12.930 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -22.951 3.019 -11.646 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -21.493 4.025 -11.813 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.556 1.845 -12.408 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.234 3.081 -11.169 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -19.106 1.354 -10.758 1.00 0.00 H new ATOM 280 N PHE A 19 -21.845 0.250 -7.215 1.00 0.00 N ATOM 281 CA PHE A 19 -21.514 -1.057 -6.737 1.00 0.00 C ATOM 282 C PHE A 19 -22.739 -1.773 -6.282 1.00 0.00 C ATOM 283 O PHE A 19 -22.840 -2.998 -6.237 1.00 0.00 O ATOM 284 CB PHE A 19 -20.554 -0.897 -5.546 1.00 0.00 C ATOM 285 CG PHE A 19 -19.171 -0.419 -5.829 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.764 0.088 -7.041 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.255 -0.450 -4.804 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.532 0.680 -7.187 1.00 0.00 C ATOM 289 CE2 PHE A 19 -17.043 0.187 -4.926 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.673 0.767 -6.117 1.00 0.00 C ATOM 0 H PHE A 19 -21.628 0.970 -6.526 1.00 0.00 H new ATOM 0 HA PHE A 19 -21.053 -1.634 -7.538 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -21.010 -0.204 -4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.479 -1.862 -5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.424 0.020 -7.893 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.490 -0.981 -3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.237 1.079 -8.147 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.375 0.232 -4.079 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.727 1.280 -6.210 1.00 0.00 H new ATOM 300 N ASP A 20 -23.784 -1.015 -5.904 1.00 0.00 N ATOM 301 CA ASP A 20 -24.930 -1.587 -5.267 1.00 0.00 C ATOM 302 C ASP A 20 -25.832 -2.177 -6.295 1.00 0.00 C ATOM 303 O ASP A 20 -26.244 -1.454 -7.201 1.00 0.00 O ATOM 304 CB ASP A 20 -25.635 -0.626 -4.295 1.00 0.00 C ATOM 305 CG ASP A 20 -26.479 -1.342 -3.250 1.00 0.00 C ATOM 306 OD1 ASP A 20 -27.549 -1.930 -3.562 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.063 -1.387 -2.061 1.00 0.00 O ATOM 0 H ASP A 20 -23.836 -0.005 -6.040 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.592 -2.396 -4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.886 -0.015 -3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -26.271 0.053 -4.863 1.00 0.00 H new ATOM 312 N LYS A 21 -26.087 -3.491 -6.160 1.00 0.00 N ATOM 313 CA LYS A 21 -26.893 -4.312 -7.010 1.00 0.00 C ATOM 314 C LYS A 21 -28.345 -4.126 -6.733 1.00 0.00 C ATOM 315 O LYS A 21 -29.132 -4.026 -7.672 1.00 0.00 O ATOM 316 CB LYS A 21 -26.550 -5.804 -6.871 1.00 0.00 C ATOM 317 CG LYS A 21 -27.251 -6.710 -7.885 1.00 0.00 C ATOM 318 CD LYS A 21 -26.873 -6.557 -9.360 1.00 0.00 C ATOM 319 CE LYS A 21 -27.566 -7.564 -10.281 1.00 0.00 C ATOM 320 NZ LYS A 21 -26.965 -7.546 -11.633 1.00 0.00 N ATOM 0 H LYS A 21 -25.693 -4.025 -5.386 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.673 -3.994 -8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.472 -5.928 -6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.813 -6.133 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.062 -7.744 -7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -28.325 -6.545 -7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -27.123 -5.548 -9.687 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.793 -6.667 -9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -27.486 -8.565 -9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -28.628 -7.330 -10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -27.452 -8.237 -12.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -27.063 -6.596 -12.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -25.957 -7.793 -11.568 1.00 0.00 H new ATOM 334 N ASP A 22 -28.719 -3.984 -5.449 1.00 0.00 N ATOM 335 CA ASP A 22 -30.103 -3.849 -5.114 1.00 0.00 C ATOM 336 C ASP A 22 -30.636 -2.470 -5.299 1.00 0.00 C ATOM 337 O ASP A 22 -31.781 -2.399 -5.742 1.00 0.00 O ATOM 338 CB ASP A 22 -30.439 -4.268 -3.673 1.00 0.00 C ATOM 339 CG ASP A 22 -29.705 -5.490 -3.139 1.00 0.00 C ATOM 340 OD1 ASP A 22 -29.917 -6.680 -3.491 1.00 0.00 O ATOM 341 OD2 ASP A 22 -28.808 -5.273 -2.280 1.00 0.00 O ATOM 0 H ASP A 22 -28.078 -3.963 -4.656 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.580 -4.530 -5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.228 -3.426 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.510 -4.459 -3.613 1.00 0.00 H new ATOM 346 N GLY A 23 -29.700 -1.513 -5.163 1.00 0.00 N ATOM 347 CA GLY A 23 -29.966 -0.108 -5.202 1.00 0.00 C ATOM 348 C GLY A 23 -30.393 0.432 -3.880 1.00 0.00 C ATOM 349 O GLY A 23 -31.074 1.456 -3.906 1.00 0.00 O ATOM 0 H GLY A 23 -28.713 -1.729 -5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -29.071 0.418 -5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.744 0.090 -5.940 1.00 0.00 H new ATOM 353 N ASP A 24 -29.966 -0.086 -2.715 1.00 0.00 N ATOM 354 CA ASP A 24 -30.313 0.449 -1.436 1.00 0.00 C ATOM 355 C ASP A 24 -29.265 1.415 -1.002 1.00 0.00 C ATOM 356 O ASP A 24 -28.761 2.209 -1.795 1.00 0.00 O ATOM 357 CB ASP A 24 -30.726 -0.741 -0.554 1.00 0.00 C ATOM 358 CG ASP A 24 -29.512 -1.494 -0.028 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.687 -1.959 -0.859 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.274 -1.528 1.209 1.00 0.00 O ATOM 0 H ASP A 24 -29.359 -0.904 -2.662 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.190 1.096 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.325 -0.384 0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.356 -1.420 -1.129 1.00 0.00 H new ATOM 365 N GLY A 25 -28.900 1.469 0.291 1.00 0.00 N ATOM 366 CA GLY A 25 -27.843 2.217 0.898 1.00 0.00 C ATOM 367 C GLY A 25 -26.928 1.361 1.704 1.00 0.00 C ATOM 368 O GLY A 25 -26.176 1.829 2.557 1.00 0.00 O ATOM 0 H GLY A 25 -29.407 0.924 0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.270 2.726 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.270 2.990 1.537 1.00 0.00 H new ATOM 372 N THR A 26 -26.910 0.033 1.490 1.00 0.00 N ATOM 373 CA THR A 26 -26.000 -0.866 2.128 1.00 0.00 C ATOM 374 C THR A 26 -25.262 -1.720 1.154 1.00 0.00 C ATOM 375 O THR A 26 -25.792 -2.362 0.249 1.00 0.00 O ATOM 376 CB THR A 26 -26.618 -1.808 3.118 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.494 -2.771 2.550 1.00 0.00 O ATOM 378 CG2 THR A 26 -27.524 -1.041 4.097 1.00 0.00 C ATOM 0 H THR A 26 -27.553 -0.431 0.849 1.00 0.00 H new ATOM 0 HA THR A 26 -25.336 -0.180 2.655 1.00 0.00 H new ATOM 0 HB THR A 26 -25.758 -2.294 3.577 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.999 -2.362 1.817 1.00 0.00 H new ATOM 0 HG21 THR A 26 -27.964 -1.739 4.808 1.00 0.00 H new ATOM 0 HG22 THR A 26 -26.933 -0.300 4.635 1.00 0.00 H new ATOM 0 HG23 THR A 26 -28.317 -0.540 3.542 1.00 0.00 H new ATOM 386 N ILE A 27 -23.934 -1.874 1.300 1.00 0.00 N ATOM 387 CA ILE A 27 -23.210 -2.773 0.456 1.00 0.00 C ATOM 388 C ILE A 27 -23.072 -4.058 1.198 1.00 0.00 C ATOM 389 O ILE A 27 -22.775 -4.113 2.390 1.00 0.00 O ATOM 390 CB ILE A 27 -22.008 -2.311 -0.314 1.00 0.00 C ATOM 391 CG1 ILE A 27 -22.218 -0.888 -0.858 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.654 -3.221 -1.502 1.00 0.00 C ATOM 393 CD1 ILE A 27 -20.983 -0.357 -1.584 1.00 0.00 C ATOM 0 H ILE A 27 -23.368 -1.384 1.992 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.816 -2.889 -0.443 1.00 0.00 H new ATOM 0 HB ILE A 27 -21.185 -2.341 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -23.068 -0.884 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -22.468 -0.220 -0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.776 -2.827 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.442 -4.227 -1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.493 -3.255 -2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -21.181 0.651 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -20.138 -0.334 -0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -20.747 -1.009 -2.426 1.00 0.00 H new ATOM 405 N THR A 28 -23.304 -5.175 0.485 1.00 0.00 N ATOM 406 CA THR A 28 -23.039 -6.485 0.992 1.00 0.00 C ATOM 407 C THR A 28 -21.686 -7.000 0.639 1.00 0.00 C ATOM 408 O THR A 28 -20.856 -6.383 -0.026 1.00 0.00 O ATOM 409 CB THR A 28 -24.056 -7.481 0.517 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.279 -7.565 -0.882 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.438 -7.049 1.039 1.00 0.00 C ATOM 0 H THR A 28 -23.683 -5.168 -0.462 1.00 0.00 H new ATOM 0 HA THR A 28 -23.093 -6.374 2.075 1.00 0.00 H new ATOM 0 HB THR A 28 -23.652 -8.429 0.871 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.647 -6.716 -1.206 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.192 -7.761 0.704 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.423 -7.022 2.129 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.679 -6.058 0.654 1.00 0.00 H new ATOM 419 N THR A 29 -21.392 -8.250 1.038 1.00 0.00 N ATOM 420 CA THR A 29 -20.254 -8.999 0.603 1.00 0.00 C ATOM 421 C THR A 29 -20.178 -9.250 -0.863 1.00 0.00 C ATOM 422 O THR A 29 -19.109 -9.190 -1.470 1.00 0.00 O ATOM 423 CB THR A 29 -20.259 -10.344 1.266 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.557 -10.887 1.068 1.00 0.00 O ATOM 425 CG2 THR A 29 -20.003 -10.281 2.781 1.00 0.00 C ATOM 0 H THR A 29 -21.977 -8.764 1.697 1.00 0.00 H new ATOM 0 HA THR A 29 -19.399 -8.380 0.875 1.00 0.00 H new ATOM 0 HB THR A 29 -19.458 -10.942 0.831 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.482 -11.834 0.826 1.00 0.00 H new ATOM 0 HG21 THR A 29 -20.020 -11.289 3.195 1.00 0.00 H new ATOM 0 HG22 THR A 29 -19.029 -9.829 2.967 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.778 -9.680 3.256 1.00 0.00 H new ATOM 433 N LYS A 30 -21.324 -9.472 -1.531 1.00 0.00 N ATOM 434 CA LYS A 30 -21.496 -10.043 -2.831 1.00 0.00 C ATOM 435 C LYS A 30 -21.241 -8.986 -3.849 1.00 0.00 C ATOM 436 O LYS A 30 -20.698 -9.205 -4.931 1.00 0.00 O ATOM 437 CB LYS A 30 -22.853 -10.735 -3.046 1.00 0.00 C ATOM 438 CG LYS A 30 -23.082 -11.967 -2.169 1.00 0.00 C ATOM 439 CD LYS A 30 -24.347 -12.753 -2.522 1.00 0.00 C ATOM 440 CE LYS A 30 -24.435 -14.211 -2.067 1.00 0.00 C ATOM 441 NZ LYS A 30 -24.151 -14.394 -0.626 1.00 0.00 N ATOM 0 H LYS A 30 -22.222 -9.225 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.772 -10.851 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.648 -10.015 -2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.935 -11.029 -4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.219 -12.628 -2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.140 -11.653 -1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.200 -12.220 -2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.461 -12.734 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.433 -14.592 -2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -23.732 -14.808 -2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -24.076 -15.409 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -23.255 -13.923 -0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -24.922 -13.978 -0.065 1.00 0.00 H new ATOM 455 N GLU A 31 -21.731 -7.769 -3.552 1.00 0.00 N ATOM 456 CA GLU A 31 -21.690 -6.524 -4.255 1.00 0.00 C ATOM 457 C GLU A 31 -20.274 -6.070 -4.343 1.00 0.00 C ATOM 458 O GLU A 31 -19.825 -5.813 -5.459 1.00 0.00 O ATOM 459 CB GLU A 31 -22.679 -5.624 -3.495 1.00 0.00 C ATOM 460 CG GLU A 31 -24.135 -6.036 -3.719 1.00 0.00 C ATOM 461 CD GLU A 31 -25.114 -5.139 -2.974 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.989 -5.079 -1.721 1.00 0.00 O ATOM 463 OE2 GLU A 31 -26.053 -4.608 -3.623 1.00 0.00 O ATOM 0 H GLU A 31 -22.237 -7.647 -2.675 1.00 0.00 H new ATOM 0 HA GLU A 31 -22.004 -6.546 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.454 -5.661 -2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.544 -4.590 -3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.358 -6.006 -4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.272 -7.067 -3.394 1.00 0.00 H new ATOM 470 N LEU A 32 -19.530 -5.989 -3.226 1.00 0.00 N ATOM 471 CA LEU A 32 -18.177 -5.525 -3.264 1.00 0.00 C ATOM 472 C LEU A 32 -17.158 -6.451 -3.834 1.00 0.00 C ATOM 473 O LEU A 32 -16.260 -5.959 -4.516 1.00 0.00 O ATOM 474 CB LEU A 32 -17.823 -5.041 -1.848 1.00 0.00 C ATOM 475 CG LEU A 32 -16.429 -4.421 -1.656 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.282 -3.167 -2.534 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.185 -3.930 -0.220 1.00 0.00 C ATOM 0 H LEU A 32 -19.864 -6.244 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.136 -4.714 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.567 -4.305 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.915 -5.887 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.724 -5.212 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.291 -2.736 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.411 -3.439 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.040 -2.436 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.185 -3.503 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.924 -3.170 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.273 -4.768 0.471 1.00 0.00 H new ATOM 489 N GLY A 33 -17.297 -7.779 -3.677 1.00 0.00 N ATOM 490 CA GLY A 33 -16.439 -8.767 -4.254 1.00 0.00 C ATOM 491 C GLY A 33 -16.499 -8.840 -5.741 1.00 0.00 C ATOM 492 O GLY A 33 -15.489 -9.136 -6.379 1.00 0.00 O ATOM 0 H GLY A 33 -18.048 -8.185 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.412 -8.559 -3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.700 -9.742 -3.843 1.00 0.00 H new ATOM 496 N THR A 34 -17.594 -8.378 -6.371 1.00 0.00 N ATOM 497 CA THR A 34 -17.766 -8.323 -7.789 1.00 0.00 C ATOM 498 C THR A 34 -16.938 -7.232 -8.376 1.00 0.00 C ATOM 499 O THR A 34 -16.383 -7.423 -9.457 1.00 0.00 O ATOM 500 CB THR A 34 -19.176 -8.139 -8.267 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.033 -9.203 -7.883 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.220 -8.186 -9.804 1.00 0.00 C ATOM 0 H THR A 34 -18.404 -8.023 -5.862 1.00 0.00 H new ATOM 0 HA THR A 34 -17.447 -9.309 -8.127 1.00 0.00 H new ATOM 0 HB THR A 34 -19.499 -7.191 -7.837 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.196 -9.160 -6.918 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.247 -8.052 -10.143 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.597 -7.389 -10.210 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.847 -9.150 -10.149 1.00 0.00 H new ATOM 510 N VAL A 35 -16.743 -6.107 -7.665 1.00 0.00 N ATOM 511 CA VAL A 35 -15.867 -5.039 -8.035 1.00 0.00 C ATOM 512 C VAL A 35 -14.460 -5.459 -7.782 1.00 0.00 C ATOM 513 O VAL A 35 -13.662 -5.370 -8.714 1.00 0.00 O ATOM 514 CB VAL A 35 -16.185 -3.722 -7.392 1.00 0.00 C ATOM 515 CG1 VAL A 35 -15.419 -2.586 -8.092 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.715 -3.612 -7.501 1.00 0.00 C ATOM 0 H VAL A 35 -17.224 -5.934 -6.782 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.015 -4.852 -9.099 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.874 -3.647 -6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.660 -1.636 -7.614 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.347 -2.769 -8.016 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.706 -2.547 -9.143 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.045 -2.674 -7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.008 -3.637 -8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.178 -4.447 -6.975 1.00 0.00 H new ATOM 526 N MET A 36 -14.145 -6.030 -6.606 1.00 0.00 N ATOM 527 CA MET A 36 -12.857 -6.601 -6.356 1.00 0.00 C ATOM 528 C MET A 36 -12.354 -7.635 -7.303 1.00 0.00 C ATOM 529 O MET A 36 -11.149 -7.732 -7.529 1.00 0.00 O ATOM 530 CB MET A 36 -12.641 -6.943 -4.872 1.00 0.00 C ATOM 531 CG MET A 36 -12.402 -5.709 -4.000 1.00 0.00 C ATOM 532 SD MET A 36 -12.700 -6.081 -2.245 1.00 0.00 S ATOM 533 CE MET A 36 -12.284 -4.408 -1.676 1.00 0.00 C ATOM 0 H MET A 36 -14.791 -6.097 -5.819 1.00 0.00 H new ATOM 0 HA MET A 36 -12.186 -5.778 -6.601 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.512 -7.481 -4.499 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.788 -7.616 -4.781 1.00 0.00 H new ATOM 0 HG2 MET A 36 -11.378 -5.359 -4.132 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.059 -4.900 -4.320 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.388 -4.356 -0.592 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.256 -4.174 -1.954 1.00 0.00 H new ATOM 0 HE3 MET A 36 -12.958 -3.688 -2.140 1.00 0.00 H new ATOM 543 N ARG A 37 -13.232 -8.469 -7.887 1.00 0.00 N ATOM 544 CA ARG A 37 -12.853 -9.354 -8.944 1.00 0.00 C ATOM 545 C ARG A 37 -12.575 -8.599 -10.198 1.00 0.00 C ATOM 546 O ARG A 37 -11.533 -8.833 -10.807 1.00 0.00 O ATOM 547 CB ARG A 37 -13.824 -10.539 -9.078 1.00 0.00 C ATOM 548 CG ARG A 37 -13.611 -11.514 -7.919 1.00 0.00 C ATOM 549 CD ARG A 37 -14.821 -12.432 -7.733 1.00 0.00 C ATOM 550 NE ARG A 37 -14.576 -13.240 -6.506 1.00 0.00 N ATOM 551 CZ ARG A 37 -15.138 -14.459 -6.258 1.00 0.00 C ATOM 552 NH1 ARG A 37 -16.127 -14.943 -7.065 1.00 0.00 N ATOM 553 NH2 ARG A 37 -14.662 -15.268 -5.267 1.00 0.00 N ATOM 0 H ARG A 37 -14.215 -8.530 -7.623 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.905 -9.828 -8.691 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -14.853 -10.180 -9.079 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.663 -11.048 -10.028 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.721 -12.115 -8.106 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.431 -10.956 -7.000 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.736 -11.848 -7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.950 -13.079 -8.601 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.945 -12.856 -5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.451 -14.393 -7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.542 -15.855 -6.873 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.873 -14.965 -4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.096 -16.175 -5.097 1.00 0.00 H new ATOM 567 N SER A 38 -13.311 -7.534 -10.564 1.00 0.00 N ATOM 568 CA SER A 38 -13.013 -6.740 -11.715 1.00 0.00 C ATOM 569 C SER A 38 -11.833 -5.834 -11.648 1.00 0.00 C ATOM 570 O SER A 38 -11.166 -5.588 -12.652 1.00 0.00 O ATOM 571 CB SER A 38 -14.148 -5.780 -12.112 1.00 0.00 C ATOM 572 OG SER A 38 -15.355 -6.480 -12.373 1.00 0.00 O ATOM 0 H SER A 38 -14.132 -7.218 -10.048 1.00 0.00 H new ATOM 0 HA SER A 38 -12.829 -7.549 -12.422 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.311 -5.057 -11.312 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.855 -5.215 -12.997 1.00 0.00 H new ATOM 0 HG SER A 38 -15.734 -6.804 -11.529 1.00 0.00 H new ATOM 578 N LEU A 39 -11.386 -5.514 -10.420 1.00 0.00 N ATOM 579 CA LEU A 39 -10.185 -4.753 -10.259 1.00 0.00 C ATOM 580 C LEU A 39 -8.952 -5.578 -10.118 1.00 0.00 C ATOM 581 O LEU A 39 -7.843 -5.047 -10.156 1.00 0.00 O ATOM 582 CB LEU A 39 -10.226 -3.896 -8.983 1.00 0.00 C ATOM 583 CG LEU A 39 -11.316 -2.814 -8.896 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.183 -2.030 -7.580 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.399 -1.767 -10.019 1.00 0.00 C ATOM 0 H LEU A 39 -11.848 -5.778 -9.550 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.142 -4.159 -11.172 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.346 -4.565 -8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.257 -3.409 -8.872 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.224 -3.411 -8.980 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.960 -1.267 -7.531 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.291 -2.713 -6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.204 -1.553 -7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.216 -1.076 -9.813 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.461 -1.214 -10.071 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.578 -2.267 -10.971 1.00 0.00 H new ATOM 597 N GLY A 40 -9.194 -6.900 -10.151 1.00 0.00 N ATOM 598 CA GLY A 40 -8.089 -7.779 -10.383 1.00 0.00 C ATOM 599 C GLY A 40 -7.715 -8.781 -9.345 1.00 0.00 C ATOM 600 O GLY A 40 -6.852 -9.650 -9.454 1.00 0.00 O ATOM 0 H GLY A 40 -10.103 -7.344 -10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.294 -8.325 -11.304 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.212 -7.159 -10.568 1.00 0.00 H new ATOM 604 N GLN A 41 -8.527 -8.816 -8.273 1.00 0.00 N ATOM 605 CA GLN A 41 -8.287 -9.613 -7.110 1.00 0.00 C ATOM 606 C GLN A 41 -9.084 -10.864 -7.251 1.00 0.00 C ATOM 607 O GLN A 41 -9.587 -11.150 -8.336 1.00 0.00 O ATOM 608 CB GLN A 41 -8.656 -8.837 -5.834 1.00 0.00 C ATOM 609 CG GLN A 41 -8.146 -7.397 -5.758 1.00 0.00 C ATOM 610 CD GLN A 41 -6.655 -7.154 -5.944 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.166 -6.594 -6.924 1.00 0.00 O ATOM 612 NE2 GLN A 41 -5.857 -7.771 -5.032 1.00 0.00 N ATOM 0 H GLN A 41 -9.385 -8.267 -8.214 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.230 -9.862 -7.022 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.742 -8.823 -5.742 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.270 -9.385 -4.974 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.675 -6.815 -6.513 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.431 -6.993 -4.787 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.271 -8.233 -4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.845 -7.772 -5.158 1.00 0.00 H new ATOM 621 N ASN A 42 -9.128 -11.666 -6.172 1.00 0.00 N ATOM 622 CA ASN A 42 -10.023 -12.770 -6.019 1.00 0.00 C ATOM 623 C ASN A 42 -10.148 -13.177 -4.591 1.00 0.00 C ATOM 624 O ASN A 42 -9.669 -14.242 -4.202 1.00 0.00 O ATOM 625 CB ASN A 42 -9.555 -13.970 -6.859 1.00 0.00 C ATOM 626 CG ASN A 42 -10.619 -15.032 -7.099 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.810 -14.860 -6.843 1.00 0.00 O ATOM 628 ND2 ASN A 42 -10.101 -16.226 -7.492 1.00 0.00 N ATOM 0 H ASN A 42 -8.511 -11.538 -5.370 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.002 -12.445 -6.372 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.201 -13.605 -7.823 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.703 -14.434 -6.362 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.709 -17.039 -7.588 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.104 -16.309 -7.691 1.00 0.00 H new ATOM 635 N PRO A 43 -10.781 -12.383 -3.780 1.00 0.00 N ATOM 636 CA PRO A 43 -11.240 -12.837 -2.499 1.00 0.00 C ATOM 637 C PRO A 43 -12.517 -13.577 -2.705 1.00 0.00 C ATOM 638 O PRO A 43 -13.317 -13.403 -3.623 1.00 0.00 O ATOM 639 CB PRO A 43 -11.558 -11.603 -1.658 1.00 0.00 C ATOM 640 CG PRO A 43 -12.026 -10.618 -2.742 1.00 0.00 C ATOM 641 CD PRO A 43 -11.166 -10.992 -3.960 1.00 0.00 C ATOM 0 HA PRO A 43 -10.492 -13.467 -2.017 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.333 -11.798 -0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.685 -11.237 -1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.090 -10.728 -2.952 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.866 -9.583 -2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.726 -10.861 -4.886 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.287 -10.351 -4.026 1.00 0.00 H new ATOM 649 N THR A 44 -12.845 -14.422 -1.712 1.00 0.00 N ATOM 650 CA THR A 44 -14.104 -15.048 -1.451 1.00 0.00 C ATOM 651 C THR A 44 -14.866 -14.162 -0.525 1.00 0.00 C ATOM 652 O THR A 44 -14.396 -13.289 0.203 1.00 0.00 O ATOM 653 CB THR A 44 -14.079 -16.363 -0.731 1.00 0.00 C ATOM 654 OG1 THR A 44 -13.318 -16.355 0.468 1.00 0.00 O ATOM 655 CG2 THR A 44 -13.360 -17.361 -1.655 1.00 0.00 C ATOM 0 H THR A 44 -12.150 -14.695 -1.017 1.00 0.00 H new ATOM 0 HA THR A 44 -14.521 -15.215 -2.444 1.00 0.00 H new ATOM 0 HB THR A 44 -15.112 -16.608 -0.483 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.349 -17.243 0.881 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.317 -18.337 -1.172 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.906 -17.445 -2.595 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.348 -17.009 -1.853 1.00 0.00 H new ATOM 663 N GLU A 45 -16.181 -14.433 -0.447 1.00 0.00 N ATOM 664 CA GLU A 45 -17.111 -13.770 0.415 1.00 0.00 C ATOM 665 C GLU A 45 -16.692 -13.747 1.844 1.00 0.00 C ATOM 666 O GLU A 45 -17.089 -12.803 2.525 1.00 0.00 O ATOM 667 CB GLU A 45 -18.557 -14.287 0.347 1.00 0.00 C ATOM 668 CG GLU A 45 -19.375 -13.677 -0.794 1.00 0.00 C ATOM 669 CD GLU A 45 -20.800 -14.185 -0.633 1.00 0.00 C ATOM 670 OE1 GLU A 45 -21.461 -13.735 0.341 1.00 0.00 O ATOM 671 OE2 GLU A 45 -21.263 -14.982 -1.492 1.00 0.00 O ATOM 0 H GLU A 45 -16.620 -15.156 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.099 -12.758 0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.541 -15.371 0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.055 -14.074 1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.346 -12.588 -0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.967 -13.970 -1.762 1.00 0.00 H new ATOM 678 N ALA A 46 -16.021 -14.833 2.270 1.00 0.00 N ATOM 679 CA ALA A 46 -15.543 -15.089 3.593 1.00 0.00 C ATOM 680 C ALA A 46 -14.414 -14.209 4.007 1.00 0.00 C ATOM 681 O ALA A 46 -14.365 -13.621 5.086 1.00 0.00 O ATOM 682 CB ALA A 46 -15.200 -16.573 3.808 1.00 0.00 C ATOM 0 H ALA A 46 -15.795 -15.596 1.632 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.377 -14.837 4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.841 -16.720 4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.091 -17.180 3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.424 -16.873 3.103 1.00 0.00 H new ATOM 688 N GLU A 47 -13.482 -13.992 3.062 1.00 0.00 N ATOM 689 CA GLU A 47 -12.298 -13.198 3.184 1.00 0.00 C ATOM 690 C GLU A 47 -12.828 -11.810 3.078 1.00 0.00 C ATOM 691 O GLU A 47 -12.221 -10.920 3.672 1.00 0.00 O ATOM 692 CB GLU A 47 -11.278 -13.557 2.090 1.00 0.00 C ATOM 693 CG GLU A 47 -10.661 -14.956 2.149 1.00 0.00 C ATOM 694 CD GLU A 47 -9.318 -14.905 1.435 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.253 -14.827 0.180 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.346 -14.653 2.197 1.00 0.00 O ATOM 0 H GLU A 47 -13.565 -14.408 2.134 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.743 -13.351 4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.765 -13.442 1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.469 -12.828 2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.531 -15.272 3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.319 -15.684 1.673 1.00 0.00 H new ATOM 703 N LEU A 48 -13.867 -11.468 2.294 1.00 0.00 N ATOM 704 CA LEU A 48 -14.522 -10.199 2.345 1.00 0.00 C ATOM 705 C LEU A 48 -15.168 -9.931 3.661 1.00 0.00 C ATOM 706 O LEU A 48 -14.853 -8.900 4.253 1.00 0.00 O ATOM 707 CB LEU A 48 -15.552 -10.002 1.220 1.00 0.00 C ATOM 708 CG LEU A 48 -14.856 -9.756 -0.129 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.788 -10.105 -1.302 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.291 -8.328 -0.214 1.00 0.00 C ATOM 0 H LEU A 48 -14.265 -12.100 1.599 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.719 -9.476 2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.190 -10.883 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.199 -9.158 1.458 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.000 -10.427 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.271 -9.922 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.071 -11.156 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.683 -9.485 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.805 -8.186 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.103 -7.609 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.564 -8.176 0.584 1.00 0.00 H new ATOM 722 N GLN A 49 -16.005 -10.828 4.213 1.00 0.00 N ATOM 723 CA GLN A 49 -16.764 -10.601 5.404 1.00 0.00 C ATOM 724 C GLN A 49 -15.900 -10.380 6.598 1.00 0.00 C ATOM 725 O GLN A 49 -16.232 -9.543 7.436 1.00 0.00 O ATOM 726 CB GLN A 49 -17.799 -11.727 5.567 1.00 0.00 C ATOM 727 CG GLN A 49 -18.808 -11.548 6.703 1.00 0.00 C ATOM 728 CD GLN A 49 -19.798 -12.703 6.722 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.563 -13.801 7.224 1.00 0.00 O ATOM 730 NE2 GLN A 49 -20.984 -12.519 6.081 1.00 0.00 N ATOM 0 H GLN A 49 -16.159 -11.753 3.811 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.315 -9.665 5.310 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -18.349 -11.827 4.631 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.266 -12.664 5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.284 -11.494 7.657 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -19.342 -10.606 6.579 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -21.200 -11.617 5.657 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -21.657 -13.283 6.024 1.00 0.00 H new ATOM 739 N ASP A 50 -14.644 -10.852 6.509 1.00 0.00 N ATOM 740 CA ASP A 50 -13.672 -10.620 7.532 1.00 0.00 C ATOM 741 C ASP A 50 -13.383 -9.159 7.581 1.00 0.00 C ATOM 742 O ASP A 50 -13.630 -8.542 8.616 1.00 0.00 O ATOM 743 CB ASP A 50 -12.400 -11.460 7.327 1.00 0.00 C ATOM 744 CG ASP A 50 -11.334 -11.369 8.410 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.657 -11.508 9.620 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.136 -11.254 8.039 1.00 0.00 O ATOM 0 H ASP A 50 -14.299 -11.400 5.721 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.074 -10.941 8.493 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.695 -12.505 7.228 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.948 -11.166 6.380 1.00 0.00 H new ATOM 751 N MET A 51 -12.816 -8.545 6.528 1.00 0.00 N ATOM 752 CA MET A 51 -12.389 -7.180 6.516 1.00 0.00 C ATOM 753 C MET A 51 -13.541 -6.236 6.568 1.00 0.00 C ATOM 754 O MET A 51 -13.409 -5.034 6.795 1.00 0.00 O ATOM 755 CB MET A 51 -11.435 -6.971 5.328 1.00 0.00 C ATOM 756 CG MET A 51 -12.093 -7.107 3.954 1.00 0.00 C ATOM 757 SD MET A 51 -10.949 -6.590 2.639 1.00 0.00 S ATOM 758 CE MET A 51 -11.211 -4.804 2.435 1.00 0.00 C ATOM 0 H MET A 51 -12.647 -9.023 5.643 1.00 0.00 H new ATOM 0 HA MET A 51 -11.828 -6.950 7.422 1.00 0.00 H new ATOM 0 HB2 MET A 51 -10.989 -5.979 5.407 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.622 -7.693 5.400 1.00 0.00 H new ATOM 0 HG2 MET A 51 -12.398 -8.141 3.792 1.00 0.00 H new ATOM 0 HG3 MET A 51 -12.997 -6.499 3.916 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.550 -4.426 1.655 1.00 0.00 H new ATOM 0 HE2 MET A 51 -12.248 -4.618 2.154 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.992 -4.295 3.374 1.00 0.00 H new ATOM 768 N ILE A 52 -14.774 -6.734 6.366 1.00 0.00 N ATOM 769 CA ILE A 52 -15.966 -5.955 6.497 1.00 0.00 C ATOM 770 C ILE A 52 -16.252 -5.668 7.931 1.00 0.00 C ATOM 771 O ILE A 52 -16.302 -4.531 8.399 1.00 0.00 O ATOM 772 CB ILE A 52 -17.113 -6.653 5.827 1.00 0.00 C ATOM 773 CG1 ILE A 52 -16.950 -6.599 4.299 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.417 -5.999 6.314 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.109 -7.241 3.538 1.00 0.00 C ATOM 0 H ILE A 52 -14.947 -7.705 6.104 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.822 -4.996 5.999 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.139 -7.710 6.090 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -16.854 -5.559 3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.023 -7.101 4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.268 -6.489 5.841 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.494 -6.103 7.396 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.414 -4.941 6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.926 -7.166 2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.192 -8.291 3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.037 -6.725 3.785 1.00 0.00 H new ATOM 787 N ASN A 53 -16.326 -6.765 8.706 1.00 0.00 N ATOM 788 CA ASN A 53 -16.553 -6.824 10.116 1.00 0.00 C ATOM 789 C ASN A 53 -15.595 -5.964 10.865 1.00 0.00 C ATOM 790 O ASN A 53 -16.012 -5.292 11.807 1.00 0.00 O ATOM 791 CB ASN A 53 -16.511 -8.231 10.737 1.00 0.00 C ATOM 792 CG ASN A 53 -17.682 -8.970 10.104 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.789 -8.454 9.959 1.00 0.00 O ATOM 794 ND2 ASN A 53 -17.533 -10.311 9.934 1.00 0.00 N ATOM 0 H ASN A 53 -16.216 -7.697 8.305 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.575 -6.459 10.215 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.566 -8.730 10.523 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.610 -8.188 11.822 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.338 -10.886 9.687 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.616 -10.741 10.054 1.00 0.00 H new ATOM 801 N GLU A 54 -14.300 -5.808 10.536 1.00 0.00 N ATOM 802 CA GLU A 54 -13.360 -5.031 11.283 1.00 0.00 C ATOM 803 C GLU A 54 -13.778 -3.602 11.226 1.00 0.00 C ATOM 804 O GLU A 54 -13.918 -2.926 12.244 1.00 0.00 O ATOM 805 CB GLU A 54 -11.964 -5.249 10.675 1.00 0.00 C ATOM 806 CG GLU A 54 -11.453 -6.691 10.650 1.00 0.00 C ATOM 807 CD GLU A 54 -10.950 -7.195 11.995 1.00 0.00 C ATOM 808 OE1 GLU A 54 -11.525 -6.791 13.041 1.00 0.00 O ATOM 809 OE2 GLU A 54 -9.986 -8.003 12.054 1.00 0.00 O ATOM 0 H GLU A 54 -13.889 -6.244 9.710 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.327 -5.331 12.330 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.973 -4.872 9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.250 -4.643 11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.256 -7.344 10.306 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.646 -6.767 9.921 1.00 0.00 H new ATOM 816 N VAL A 55 -14.108 -3.137 10.008 1.00 0.00 N ATOM 817 CA VAL A 55 -14.313 -1.761 9.680 1.00 0.00 C ATOM 818 C VAL A 55 -15.692 -1.212 9.811 1.00 0.00 C ATOM 819 O VAL A 55 -15.959 -0.029 9.605 1.00 0.00 O ATOM 820 CB VAL A 55 -13.540 -1.529 8.416 1.00 0.00 C ATOM 821 CG1 VAL A 55 -14.427 -2.000 7.251 1.00 0.00 C ATOM 822 CG2 VAL A 55 -13.163 -0.047 8.251 1.00 0.00 C ATOM 0 H VAL A 55 -14.239 -3.756 9.208 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.918 -1.109 10.459 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.603 -2.085 8.440 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.901 -1.848 6.309 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.656 -3.059 7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -15.354 -1.427 7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.604 0.085 7.325 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.069 0.557 8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.548 0.268 9.094 1.00 0.00 H new ATOM 832 N ASP A 56 -16.639 -2.095 10.172 1.00 0.00 N ATOM 833 CA ASP A 56 -17.986 -1.816 10.565 1.00 0.00 C ATOM 834 C ASP A 56 -18.005 -1.002 11.813 1.00 0.00 C ATOM 835 O ASP A 56 -17.495 -1.341 12.880 1.00 0.00 O ATOM 836 CB ASP A 56 -18.934 -3.024 10.641 1.00 0.00 C ATOM 837 CG ASP A 56 -20.350 -2.604 10.275 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.875 -1.694 10.971 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.977 -3.209 9.364 1.00 0.00 O ATOM 0 H ASP A 56 -16.442 -3.096 10.190 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.405 -1.234 9.744 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.592 -3.807 9.964 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.920 -3.444 11.647 1.00 0.00 H new ATOM 844 N ALA A 57 -18.609 0.199 11.789 1.00 0.00 N ATOM 845 CA ALA A 57 -18.819 1.149 12.837 1.00 0.00 C ATOM 846 C ALA A 57 -19.921 0.722 13.744 1.00 0.00 C ATOM 847 O ALA A 57 -19.723 0.497 14.937 1.00 0.00 O ATOM 848 CB ALA A 57 -19.093 2.522 12.200 1.00 0.00 C ATOM 0 H ALA A 57 -19.001 0.546 10.914 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.927 1.217 13.460 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.256 3.261 12.984 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -18.237 2.819 11.594 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.980 2.460 11.570 1.00 0.00 H new ATOM 854 N ASP A 58 -21.093 0.545 13.109 1.00 0.00 N ATOM 855 CA ASP A 58 -22.270 0.023 13.732 1.00 0.00 C ATOM 856 C ASP A 58 -22.234 -1.393 14.194 1.00 0.00 C ATOM 857 O ASP A 58 -22.828 -1.793 15.193 1.00 0.00 O ATOM 858 CB ASP A 58 -23.569 0.513 13.070 1.00 0.00 C ATOM 859 CG ASP A 58 -23.758 -0.386 11.857 1.00 0.00 C ATOM 860 OD1 ASP A 58 -24.358 -1.487 11.983 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.460 0.079 10.725 1.00 0.00 O ATOM 0 H ASP A 58 -21.226 0.774 12.124 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.274 0.495 14.715 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.414 0.435 13.754 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.492 1.560 12.777 1.00 0.00 H new ATOM 866 N GLY A 59 -21.483 -2.222 13.447 1.00 0.00 N ATOM 867 CA GLY A 59 -21.155 -3.576 13.772 1.00 0.00 C ATOM 868 C GLY A 59 -21.787 -4.481 12.771 1.00 0.00 C ATOM 869 O GLY A 59 -21.514 -5.680 12.799 1.00 0.00 O ATOM 0 H GLY A 59 -21.079 -1.927 12.558 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -20.073 -3.712 13.773 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.507 -3.819 14.775 1.00 0.00 H new ATOM 873 N ASN A 60 -22.766 -4.031 11.967 1.00 0.00 N ATOM 874 CA ASN A 60 -23.725 -4.948 11.434 1.00 0.00 C ATOM 875 C ASN A 60 -23.237 -5.949 10.444 1.00 0.00 C ATOM 876 O ASN A 60 -23.786 -7.029 10.233 1.00 0.00 O ATOM 877 CB ASN A 60 -25.102 -4.468 10.943 1.00 0.00 C ATOM 878 CG ASN A 60 -24.990 -3.427 9.839 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.922 -3.011 9.392 1.00 0.00 O ATOM 880 ND2 ASN A 60 -26.171 -2.876 9.447 1.00 0.00 N ATOM 0 H ASN A 60 -22.893 -3.057 11.691 1.00 0.00 H new ATOM 0 HA ASN A 60 -23.890 -5.399 12.412 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -25.673 -5.322 10.578 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -25.658 -4.047 11.781 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -26.178 -2.109 8.775 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -27.050 -3.230 9.825 1.00 0.00 H new ATOM 887 N GLY A 61 -22.076 -5.702 9.811 1.00 0.00 N ATOM 888 CA GLY A 61 -21.513 -6.535 8.794 1.00 0.00 C ATOM 889 C GLY A 61 -21.917 -6.105 7.426 1.00 0.00 C ATOM 890 O GLY A 61 -21.456 -6.713 6.461 1.00 0.00 O ATOM 0 H GLY A 61 -21.504 -4.884 10.018 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.426 -6.517 8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -21.827 -7.566 8.956 1.00 0.00 H new ATOM 894 N THR A 62 -22.708 -5.063 7.114 1.00 0.00 N ATOM 895 CA THR A 62 -22.952 -4.450 5.845 1.00 0.00 C ATOM 896 C THR A 62 -22.390 -3.070 5.859 1.00 0.00 C ATOM 897 O THR A 62 -22.333 -2.384 6.878 1.00 0.00 O ATOM 898 CB THR A 62 -24.338 -4.443 5.271 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.291 -4.137 6.278 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.578 -5.923 4.928 1.00 0.00 C ATOM 0 H THR A 62 -23.241 -4.595 7.847 1.00 0.00 H new ATOM 0 HA THR A 62 -22.447 -5.125 5.154 1.00 0.00 H new ATOM 0 HB THR A 62 -24.429 -3.733 4.449 1.00 0.00 H new ATOM 0 HG1 THR A 62 -26.190 -4.135 5.888 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.572 -6.040 4.496 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.829 -6.256 4.210 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.503 -6.523 5.835 1.00 0.00 H new ATOM 908 N ILE A 63 -22.000 -2.560 4.677 1.00 0.00 N ATOM 909 CA ILE A 63 -21.156 -1.411 4.568 1.00 0.00 C ATOM 910 C ILE A 63 -22.060 -0.259 4.296 1.00 0.00 C ATOM 911 O ILE A 63 -22.718 -0.253 3.257 1.00 0.00 O ATOM 912 CB ILE A 63 -20.103 -1.557 3.509 1.00 0.00 C ATOM 913 CG1 ILE A 63 -19.623 -3.004 3.304 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.917 -0.683 3.949 1.00 0.00 C ATOM 915 CD1 ILE A 63 -18.483 -3.232 2.313 1.00 0.00 C ATOM 0 H ILE A 63 -22.277 -2.954 3.778 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.593 -1.266 5.490 1.00 0.00 H new ATOM 0 HB ILE A 63 -20.528 -1.251 2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -19.311 -3.396 4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.476 -3.599 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.119 -0.753 3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.241 0.354 4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.548 -1.029 4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -18.247 -4.295 2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.785 -2.885 1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.602 -2.679 2.638 1.00 0.00 H new ATOM 927 N ASP A 64 -22.117 0.730 5.206 1.00 0.00 N ATOM 928 CA ASP A 64 -22.809 1.973 5.057 1.00 0.00 C ATOM 929 C ASP A 64 -21.834 2.962 4.517 1.00 0.00 C ATOM 930 O ASP A 64 -20.625 2.740 4.465 1.00 0.00 O ATOM 931 CB ASP A 64 -23.437 2.410 6.391 1.00 0.00 C ATOM 932 CG ASP A 64 -24.292 1.306 6.995 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.724 0.325 7.547 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.548 1.394 7.045 1.00 0.00 O ATOM 0 H ASP A 64 -21.647 0.655 6.108 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.643 1.883 4.361 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.649 2.686 7.092 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.048 3.299 6.233 1.00 0.00 H new ATOM 939 N PHE A 65 -22.284 4.164 4.116 1.00 0.00 N ATOM 940 CA PHE A 65 -21.435 5.179 3.571 1.00 0.00 C ATOM 941 C PHE A 65 -20.422 5.798 4.471 1.00 0.00 C ATOM 942 O PHE A 65 -19.293 5.907 3.994 1.00 0.00 O ATOM 943 CB PHE A 65 -22.357 6.250 2.965 1.00 0.00 C ATOM 944 CG PHE A 65 -21.626 7.284 2.181 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.796 6.895 1.156 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.757 8.622 2.469 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.242 7.849 0.335 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.274 9.609 1.643 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.575 9.167 0.544 1.00 0.00 C ATOM 0 H PHE A 65 -23.265 4.438 4.172 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.800 4.680 2.839 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.089 5.765 2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.912 6.737 3.767 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.581 5.849 0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.260 8.909 3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.561 7.570 -0.456 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.432 10.658 1.843 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.271 9.894 -0.195 1.00 0.00 H new ATOM 959 N PRO A 66 -20.555 6.079 5.733 1.00 0.00 N ATOM 960 CA PRO A 66 -19.455 6.616 6.481 1.00 0.00 C ATOM 961 C PRO A 66 -18.416 5.580 6.742 1.00 0.00 C ATOM 962 O PRO A 66 -17.355 6.027 7.173 1.00 0.00 O ATOM 963 CB PRO A 66 -20.045 7.104 7.802 1.00 0.00 C ATOM 964 CG PRO A 66 -21.336 6.275 7.893 1.00 0.00 C ATOM 965 CD PRO A 66 -21.822 6.206 6.437 1.00 0.00 C ATOM 0 HA PRO A 66 -18.967 7.418 5.926 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.377 6.915 8.643 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.247 8.175 7.789 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.147 5.282 8.301 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.073 6.750 8.540 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.480 5.355 6.261 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.371 7.100 6.142 1.00 0.00 H new ATOM 973 N GLU A 67 -18.656 4.286 6.463 1.00 0.00 N ATOM 974 CA GLU A 67 -17.695 3.243 6.648 1.00 0.00 C ATOM 975 C GLU A 67 -17.064 2.919 5.337 1.00 0.00 C ATOM 976 O GLU A 67 -15.939 2.425 5.300 1.00 0.00 O ATOM 977 CB GLU A 67 -18.283 1.916 7.157 1.00 0.00 C ATOM 978 CG GLU A 67 -19.319 2.113 8.266 1.00 0.00 C ATOM 979 CD GLU A 67 -20.222 0.933 8.595 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.583 0.104 7.718 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.732 0.924 9.747 1.00 0.00 O ATOM 0 H GLU A 67 -19.548 3.955 6.097 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.001 3.629 7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.745 1.386 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.476 1.285 7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.790 2.397 9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.953 2.956 7.990 1.00 0.00 H new ATOM 988 N PHE A 68 -17.743 3.280 4.234 1.00 0.00 N ATOM 989 CA PHE A 68 -17.086 3.268 2.963 1.00 0.00 C ATOM 990 C PHE A 68 -16.165 4.439 2.914 1.00 0.00 C ATOM 991 O PHE A 68 -15.079 4.430 2.337 1.00 0.00 O ATOM 992 CB PHE A 68 -18.157 3.229 1.859 1.00 0.00 C ATOM 993 CG PHE A 68 -17.677 3.111 0.454 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.402 4.233 -0.293 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.540 1.871 -0.124 1.00 0.00 C ATOM 996 CE1 PHE A 68 -17.015 4.084 -1.605 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.158 1.729 -1.437 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.805 2.844 -2.160 1.00 0.00 C ATOM 0 H PHE A 68 -18.720 3.573 4.218 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.468 2.384 2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.821 2.389 2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.757 4.136 1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.489 5.217 0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.737 0.989 0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.873 4.964 -2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -17.135 0.752 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.371 2.748 -3.144 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.496 5.595 3.516 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.606 6.714 3.496 1.00 0.00 C ATOM 1010 C LEU A 69 -14.454 6.471 4.410 1.00 0.00 C ATOM 1011 O LEU A 69 -13.328 6.777 4.019 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.285 8.001 3.994 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.477 8.506 3.164 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.835 9.925 3.637 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -17.174 8.582 1.659 1.00 0.00 C ATOM 0 H LEU A 69 -17.372 5.755 4.013 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.289 6.833 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.625 7.835 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.535 8.791 4.032 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.292 7.797 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.679 10.299 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.102 9.900 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.978 10.583 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -18.054 8.945 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.341 9.264 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.911 7.590 1.290 1.00 0.00 H new ATOM 1027 N THR A 70 -14.658 5.892 5.606 1.00 0.00 N ATOM 1028 CA THR A 70 -13.584 5.308 6.348 1.00 0.00 C ATOM 1029 C THR A 70 -12.801 4.247 5.653 1.00 0.00 C ATOM 1030 O THR A 70 -11.584 4.327 5.806 1.00 0.00 O ATOM 1031 CB THR A 70 -14.091 4.825 7.675 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.745 5.888 8.352 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.012 4.399 8.684 1.00 0.00 C ATOM 0 H THR A 70 -15.569 5.828 6.061 1.00 0.00 H new ATOM 0 HA THR A 70 -12.859 6.112 6.477 1.00 0.00 H new ATOM 0 HB THR A 70 -14.714 3.971 7.408 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.667 5.964 8.029 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.488 4.068 9.607 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.425 3.582 8.265 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.358 5.245 8.896 1.00 0.00 H new ATOM 1041 N MET A 71 -13.360 3.353 4.818 1.00 0.00 N ATOM 1042 CA MET A 71 -12.577 2.369 4.136 1.00 0.00 C ATOM 1043 C MET A 71 -11.729 3.024 3.101 1.00 0.00 C ATOM 1044 O MET A 71 -10.525 2.795 2.997 1.00 0.00 O ATOM 1045 CB MET A 71 -13.437 1.244 3.535 1.00 0.00 C ATOM 1046 CG MET A 71 -12.698 0.138 2.780 1.00 0.00 C ATOM 1047 SD MET A 71 -13.443 -1.485 2.438 1.00 0.00 S ATOM 1048 CE MET A 71 -15.019 -1.421 3.338 1.00 0.00 C ATOM 0 H MET A 71 -14.359 3.312 4.614 1.00 0.00 H new ATOM 0 HA MET A 71 -11.929 1.891 4.870 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.005 0.783 4.343 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.159 1.695 2.855 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.411 0.558 1.816 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.777 -0.053 3.331 1.00 0.00 H new ATOM 0 HE1 MET A 71 -15.498 -2.399 3.303 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.834 -1.144 4.376 1.00 0.00 H new ATOM 0 HE3 MET A 71 -15.672 -0.681 2.876 1.00 0.00 H new ATOM 1058 N MET A 72 -12.392 3.751 2.184 1.00 0.00 N ATOM 1059 CA MET A 72 -11.775 4.201 0.974 1.00 0.00 C ATOM 1060 C MET A 72 -10.847 5.325 1.282 1.00 0.00 C ATOM 1061 O MET A 72 -9.876 5.402 0.531 1.00 0.00 O ATOM 1062 CB MET A 72 -12.794 4.567 -0.118 1.00 0.00 C ATOM 1063 CG MET A 72 -13.750 3.429 -0.483 1.00 0.00 C ATOM 1064 SD MET A 72 -13.065 1.746 -0.546 1.00 0.00 S ATOM 1065 CE MET A 72 -12.902 1.734 -2.355 1.00 0.00 C ATOM 0 H MET A 72 -13.368 4.030 2.283 1.00 0.00 H new ATOM 0 HA MET A 72 -11.201 3.374 0.557 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.377 5.425 0.216 1.00 0.00 H new ATOM 0 HB3 MET A 72 -12.256 4.877 -1.014 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.568 3.433 0.237 1.00 0.00 H new ATOM 0 HG3 MET A 72 -14.183 3.653 -1.458 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.455 0.792 -2.674 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.887 1.841 -2.810 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.266 2.562 -2.669 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.972 6.204 2.292 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.987 7.049 2.893 1.00 0.00 C ATOM 1077 C ALA A 73 -8.714 6.352 3.230 1.00 0.00 C ATOM 1078 O ALA A 73 -7.577 6.721 2.940 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.532 7.991 3.979 1.00 0.00 C ATOM 0 H ALA A 73 -11.879 6.335 2.740 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.695 7.738 2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.717 8.594 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.289 8.645 3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.976 7.402 4.782 1.00 0.00 H new ATOM 1234 N GLU A 83 3.229 1.464 -7.938 1.00 0.00 N ATOM 1235 CA GLU A 83 4.559 1.956 -8.124 1.00 0.00 C ATOM 1236 C GLU A 83 5.154 2.708 -6.983 1.00 0.00 C ATOM 1237 O GLU A 83 6.323 2.552 -6.634 1.00 0.00 O ATOM 1238 CB GLU A 83 4.793 2.802 -9.387 1.00 0.00 C ATOM 1239 CG GLU A 83 4.703 1.983 -10.677 1.00 0.00 C ATOM 1240 CD GLU A 83 5.888 1.044 -10.851 1.00 0.00 C ATOM 1241 OE1 GLU A 83 7.052 1.524 -10.818 1.00 0.00 O ATOM 1242 OE2 GLU A 83 5.635 -0.142 -11.195 1.00 0.00 O ATOM 0 HA GLU A 83 5.069 0.998 -8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.058 3.606 -9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.775 3.270 -9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.780 1.403 -10.672 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.650 2.659 -11.530 1.00 0.00 H new ATOM 1249 N GLU A 84 4.374 3.463 -6.189 1.00 0.00 N ATOM 1250 CA GLU A 84 4.802 4.085 -4.975 1.00 0.00 C ATOM 1251 C GLU A 84 5.200 3.119 -3.912 1.00 0.00 C ATOM 1252 O GLU A 84 6.106 3.431 -3.141 1.00 0.00 O ATOM 1253 CB GLU A 84 3.675 4.947 -4.381 1.00 0.00 C ATOM 1254 CG GLU A 84 4.117 5.917 -3.284 1.00 0.00 C ATOM 1255 CD GLU A 84 4.394 7.312 -3.827 1.00 0.00 C ATOM 1256 OE1 GLU A 84 5.131 7.536 -4.824 1.00 0.00 O ATOM 1257 OE2 GLU A 84 3.767 8.260 -3.284 1.00 0.00 O ATOM 0 H GLU A 84 3.395 3.649 -6.405 1.00 0.00 H new ATOM 0 HA GLU A 84 5.671 4.679 -5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.211 5.518 -5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.908 4.287 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.343 5.974 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.015 5.532 -2.801 1.00 0.00 H new ATOM 1264 N ILE A 85 4.514 1.964 -3.856 1.00 0.00 N ATOM 1265 CA ILE A 85 4.726 0.889 -2.936 1.00 0.00 C ATOM 1266 C ILE A 85 6.030 0.238 -3.243 1.00 0.00 C ATOM 1267 O ILE A 85 6.904 0.032 -2.402 1.00 0.00 O ATOM 1268 CB ILE A 85 3.572 -0.069 -2.967 1.00 0.00 C ATOM 1269 CG1 ILE A 85 2.161 0.469 -2.675 1.00 0.00 C ATOM 1270 CG2 ILE A 85 3.776 -1.380 -2.189 1.00 0.00 C ATOM 1271 CD1 ILE A 85 1.669 1.799 -3.244 1.00 0.00 C ATOM 0 H ILE A 85 3.752 1.767 -4.505 1.00 0.00 H new ATOM 0 HA ILE A 85 4.775 1.269 -1.916 1.00 0.00 H new ATOM 0 HB ILE A 85 3.595 -0.272 -4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.458 -0.295 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.068 0.537 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.883 -1.998 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.631 -1.917 -2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.959 -1.155 -1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.647 1.982 -2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.314 2.605 -2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.694 1.760 -4.333 1.00 0.00 H new ATOM 1283 N ARG A 86 6.233 -0.023 -4.547 1.00 0.00 N ATOM 1284 CA ARG A 86 7.476 -0.594 -4.964 1.00 0.00 C ATOM 1285 C ARG A 86 8.663 0.259 -4.674 1.00 0.00 C ATOM 1286 O ARG A 86 9.638 -0.251 -4.125 1.00 0.00 O ATOM 1287 CB ARG A 86 7.515 -1.019 -6.441 1.00 0.00 C ATOM 1288 CG ARG A 86 7.036 -2.449 -6.700 1.00 0.00 C ATOM 1289 CD ARG A 86 6.964 -2.864 -8.171 1.00 0.00 C ATOM 1290 NE ARG A 86 5.980 -1.928 -8.783 1.00 0.00 N ATOM 1291 CZ ARG A 86 4.651 -2.212 -8.915 1.00 0.00 C ATOM 1292 NH1 ARG A 86 4.061 -3.313 -8.364 1.00 0.00 N ATOM 1293 NH2 ARG A 86 3.826 -1.385 -9.620 1.00 0.00 N ATOM 0 H ARG A 86 5.560 0.154 -5.292 1.00 0.00 H new ATOM 0 HA ARG A 86 7.537 -1.493 -4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.899 -0.332 -7.021 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.536 -0.919 -6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.702 -3.137 -6.179 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.047 -2.568 -6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.939 -2.784 -8.653 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.642 -3.900 -8.274 1.00 0.00 H new ATOM 0 HE ARG A 86 6.317 -1.027 -9.122 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.619 -3.973 -7.822 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.063 -3.476 -8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.200 -0.542 -10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.835 -1.609 -9.711 1.00 0.00 H new ATOM 1307 N GLU A 87 8.680 1.540 -5.085 1.00 0.00 N ATOM 1308 CA GLU A 87 9.790 2.360 -4.710 1.00 0.00 C ATOM 1309 C GLU A 87 9.993 2.547 -3.246 1.00 0.00 C ATOM 1310 O GLU A 87 11.122 2.733 -2.796 1.00 0.00 O ATOM 1311 CB GLU A 87 9.846 3.689 -5.482 1.00 0.00 C ATOM 1312 CG GLU A 87 8.615 4.549 -5.189 1.00 0.00 C ATOM 1313 CD GLU A 87 8.932 5.891 -5.833 1.00 0.00 C ATOM 1314 OE1 GLU A 87 9.649 6.723 -5.217 1.00 0.00 O ATOM 1315 OE2 GLU A 87 8.539 6.135 -7.005 1.00 0.00 O ATOM 0 H GLU A 87 7.962 1.992 -5.651 1.00 0.00 H new ATOM 0 HA GLU A 87 10.650 1.767 -5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.749 4.235 -5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.908 3.489 -6.552 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.712 4.108 -5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.448 4.652 -4.117 1.00 0.00 H new ATOM 1322 N ALA A 88 8.948 2.414 -2.409 1.00 0.00 N ATOM 1323 CA ALA A 88 9.042 2.615 -0.996 1.00 0.00 C ATOM 1324 C ALA A 88 9.474 1.356 -0.328 1.00 0.00 C ATOM 1325 O ALA A 88 10.193 1.425 0.669 1.00 0.00 O ATOM 1326 CB ALA A 88 7.801 3.301 -0.399 1.00 0.00 C ATOM 0 H ALA A 88 8.012 2.160 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 88 9.827 3.343 -0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.935 3.424 0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.667 4.278 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.920 2.687 -0.586 1.00 0.00 H new ATOM 1332 N PHE A 89 9.197 0.186 -0.931 1.00 0.00 N ATOM 1333 CA PHE A 89 9.787 -1.083 -0.639 1.00 0.00 C ATOM 1334 C PHE A 89 11.264 -1.109 -0.830 1.00 0.00 C ATOM 1335 O PHE A 89 12.017 -1.513 0.055 1.00 0.00 O ATOM 1336 CB PHE A 89 9.089 -2.223 -1.400 1.00 0.00 C ATOM 1337 CG PHE A 89 9.680 -3.580 -1.229 1.00 0.00 C ATOM 1338 CD1 PHE A 89 9.437 -4.197 -0.025 1.00 0.00 C ATOM 1339 CD2 PHE A 89 10.560 -4.177 -2.102 1.00 0.00 C ATOM 1340 CE1 PHE A 89 9.915 -5.471 0.173 1.00 0.00 C ATOM 1341 CE2 PHE A 89 11.166 -5.382 -1.837 1.00 0.00 C ATOM 1342 CZ PHE A 89 10.766 -6.078 -0.720 1.00 0.00 C ATOM 0 H PHE A 89 8.507 0.124 -1.680 1.00 0.00 H new ATOM 0 HA PHE A 89 9.626 -1.249 0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.047 -2.260 -1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 89 9.091 -1.979 -2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.881 -3.691 0.751 1.00 0.00 H new ATOM 0 HD2 PHE A 89 10.784 -3.678 -3.034 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.612 -6.012 1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.935 -5.772 -2.488 1.00 0.00 H new ATOM 0 HZ PHE A 89 11.115 -7.085 -0.547 1.00 0.00 H new ATOM 1352 N ARG A 90 11.826 -0.612 -1.946 1.00 0.00 N ATOM 1353 CA ARG A 90 13.217 -0.540 -2.269 1.00 0.00 C ATOM 1354 C ARG A 90 13.881 0.727 -1.852 1.00 0.00 C ATOM 1355 O ARG A 90 15.014 0.991 -2.251 1.00 0.00 O ATOM 1356 CB ARG A 90 13.622 -0.846 -3.721 1.00 0.00 C ATOM 1357 CG ARG A 90 12.824 -0.262 -4.888 1.00 0.00 C ATOM 1358 CD ARG A 90 13.556 -0.402 -6.225 1.00 0.00 C ATOM 1359 NE ARG A 90 14.724 0.514 -6.355 1.00 0.00 N ATOM 1360 CZ ARG A 90 14.634 1.759 -6.908 1.00 0.00 C ATOM 1361 NH1 ARG A 90 13.437 2.312 -7.261 1.00 0.00 N ATOM 1362 NH2 ARG A 90 15.837 2.375 -7.102 1.00 0.00 N ATOM 0 H ARG A 90 11.249 -0.224 -2.692 1.00 0.00 H new ATOM 0 HA ARG A 90 13.581 -1.370 -1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.655 -0.520 -3.843 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.614 -1.930 -3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.859 -0.764 -4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.623 0.792 -4.696 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.896 -1.431 -6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.856 -0.205 -7.037 1.00 0.00 H new ATOM 0 HE ARG A 90 15.632 0.197 -6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.572 1.792 -7.114 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.408 3.245 -7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.701 1.901 -6.839 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.872 3.309 -7.510 1.00 0.00 H new ATOM 1376 N VAL A 91 13.221 1.546 -1.013 1.00 0.00 N ATOM 1377 CA VAL A 91 13.776 2.554 -0.164 1.00 0.00 C ATOM 1378 C VAL A 91 14.012 1.805 1.103 1.00 0.00 C ATOM 1379 O VAL A 91 15.103 1.988 1.641 1.00 0.00 O ATOM 1380 CB VAL A 91 12.847 3.707 0.077 1.00 0.00 C ATOM 1381 CG1 VAL A 91 13.027 4.533 1.362 1.00 0.00 C ATOM 1382 CG2 VAL A 91 13.068 4.653 -1.115 1.00 0.00 C ATOM 0 H VAL A 91 12.206 1.496 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 91 14.664 3.013 -0.600 1.00 0.00 H new ATOM 0 HB VAL A 91 11.853 3.274 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 91 12.282 5.328 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.902 3.887 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.025 4.971 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.422 5.525 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.109 4.974 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.830 4.132 -2.042 1.00 0.00 H new ATOM 1392 N PHE A 92 13.077 0.998 1.634 1.00 0.00 N ATOM 1393 CA PHE A 92 13.144 0.270 2.863 1.00 0.00 C ATOM 1394 C PHE A 92 14.186 -0.795 2.838 1.00 0.00 C ATOM 1395 O PHE A 92 15.002 -0.934 3.748 1.00 0.00 O ATOM 1396 CB PHE A 92 11.782 -0.240 3.361 1.00 0.00 C ATOM 1397 CG PHE A 92 10.730 0.771 3.663 1.00 0.00 C ATOM 1398 CD1 PHE A 92 11.023 2.088 3.932 1.00 0.00 C ATOM 1399 CD2 PHE A 92 9.417 0.379 3.552 1.00 0.00 C ATOM 1400 CE1 PHE A 92 9.998 2.978 4.149 1.00 0.00 C ATOM 1401 CE2 PHE A 92 8.395 1.270 3.780 1.00 0.00 C ATOM 1402 CZ PHE A 92 8.685 2.572 4.117 1.00 0.00 C ATOM 0 H PHE A 92 12.190 0.842 1.155 1.00 0.00 H new ATOM 0 HA PHE A 92 13.460 0.997 3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 92 11.385 -0.923 2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.953 -0.825 4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 92 12.050 2.420 3.972 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.186 -0.641 3.283 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.228 4.014 4.348 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.367 0.949 3.695 1.00 0.00 H new ATOM 0 HZ PHE A 92 7.892 3.266 4.353 1.00 0.00 H new ATOM 1412 N ASP A 93 14.306 -1.528 1.717 1.00 0.00 N ATOM 1413 CA ASP A 93 15.400 -2.434 1.551 1.00 0.00 C ATOM 1414 C ASP A 93 16.711 -1.740 1.415 1.00 0.00 C ATOM 1415 O ASP A 93 16.813 -0.828 0.596 1.00 0.00 O ATOM 1416 CB ASP A 93 15.267 -3.323 0.303 1.00 0.00 C ATOM 1417 CG ASP A 93 16.223 -4.507 0.277 1.00 0.00 C ATOM 1418 OD1 ASP A 93 16.994 -4.704 1.254 1.00 0.00 O ATOM 1419 OD2 ASP A 93 16.342 -5.125 -0.815 1.00 0.00 O ATOM 0 H ASP A 93 13.654 -1.495 0.933 1.00 0.00 H new ATOM 0 HA ASP A 93 15.367 -3.036 2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 93 14.244 -3.695 0.243 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.437 -2.713 -0.584 1.00 0.00 H new ATOM 1424 N LYS A 94 17.670 -1.889 2.346 1.00 0.00 N ATOM 1425 CA LYS A 94 18.810 -1.025 2.341 1.00 0.00 C ATOM 1426 C LYS A 94 19.679 -1.195 1.142 1.00 0.00 C ATOM 1427 O LYS A 94 19.861 -0.362 0.256 1.00 0.00 O ATOM 1428 CB LYS A 94 19.524 -1.086 3.702 1.00 0.00 C ATOM 1429 CG LYS A 94 20.758 -0.200 3.889 1.00 0.00 C ATOM 1430 CD LYS A 94 20.363 1.252 4.165 1.00 0.00 C ATOM 1431 CE LYS A 94 21.493 2.209 4.548 1.00 0.00 C ATOM 1432 NZ LYS A 94 21.117 3.601 4.885 1.00 0.00 N ATOM 0 H LYS A 94 17.659 -2.590 3.086 1.00 0.00 H new ATOM 0 HA LYS A 94 18.470 0.004 2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 94 18.801 -0.824 4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 94 19.821 -2.119 3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.359 -0.579 4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.380 -0.246 2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 94 19.870 1.646 3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 94 19.625 1.258 4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.019 1.785 5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.203 2.242 3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 21.972 4.143 5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 20.646 4.041 4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 20.469 3.598 5.698 1.00 0.00 H new ATOM 1446 N ASP A 95 20.340 -2.349 0.942 1.00 0.00 N ATOM 1447 CA ASP A 95 21.127 -2.719 -0.194 1.00 0.00 C ATOM 1448 C ASP A 95 20.299 -2.654 -1.431 1.00 0.00 C ATOM 1449 O ASP A 95 20.751 -2.021 -2.383 1.00 0.00 O ATOM 1450 CB ASP A 95 21.748 -4.116 -0.033 1.00 0.00 C ATOM 1451 CG ASP A 95 20.746 -5.220 0.275 1.00 0.00 C ATOM 1452 OD1 ASP A 95 20.198 -5.268 1.409 1.00 0.00 O ATOM 1453 OD2 ASP A 95 20.520 -6.092 -0.606 1.00 0.00 O ATOM 0 H ASP A 95 20.321 -3.091 1.642 1.00 0.00 H new ATOM 0 HA ASP A 95 21.949 -2.008 -0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 95 22.280 -4.371 -0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 95 22.488 -4.081 0.766 1.00 0.00 H new ATOM 1458 N GLY A 96 19.070 -3.200 -1.401 1.00 0.00 N ATOM 1459 CA GLY A 96 18.190 -3.198 -2.528 1.00 0.00 C ATOM 1460 C GLY A 96 17.934 -4.392 -3.383 1.00 0.00 C ATOM 1461 O GLY A 96 16.979 -4.433 -4.157 1.00 0.00 O ATOM 0 H GLY A 96 18.679 -3.653 -0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.218 -2.875 -2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.551 -2.416 -3.196 1.00 0.00 H new ATOM 1465 N ASN A 97 18.680 -5.476 -3.105 1.00 0.00 N ATOM 1466 CA ASN A 97 18.707 -6.664 -3.899 1.00 0.00 C ATOM 1467 C ASN A 97 17.552 -7.583 -3.697 1.00 0.00 C ATOM 1468 O ASN A 97 17.303 -8.443 -4.540 1.00 0.00 O ATOM 1469 CB ASN A 97 20.062 -7.345 -3.641 1.00 0.00 C ATOM 1470 CG ASN A 97 21.246 -6.507 -4.103 1.00 0.00 C ATOM 1471 OD1 ASN A 97 21.290 -6.269 -5.309 1.00 0.00 O ATOM 1472 ND2 ASN A 97 22.093 -6.039 -3.148 1.00 0.00 N ATOM 0 H ASN A 97 19.292 -5.526 -2.290 1.00 0.00 H new ATOM 0 HA ASN A 97 18.601 -6.385 -4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 97 20.163 -7.550 -2.575 1.00 0.00 H new ATOM 0 HB3 ASN A 97 20.083 -8.307 -4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 97 22.863 -5.422 -3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 97 21.959 -6.305 -2.172 1.00 0.00 H new ATOM 1479 N GLY A 98 16.692 -7.496 -2.666 1.00 0.00 N ATOM 1480 CA GLY A 98 15.612 -8.428 -2.570 1.00 0.00 C ATOM 1481 C GLY A 98 14.801 -8.053 -1.377 1.00 0.00 C ATOM 1482 O GLY A 98 13.645 -7.651 -1.500 1.00 0.00 O ATOM 0 H GLY A 98 16.740 -6.802 -1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.001 -8.401 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.991 -9.445 -2.472 1.00 0.00 H new ATOM 1486 N TYR A 99 15.368 -8.376 -0.202 1.00 0.00 N ATOM 1487 CA TYR A 99 14.487 -8.524 0.915 1.00 0.00 C ATOM 1488 C TYR A 99 14.718 -7.478 1.951 1.00 0.00 C ATOM 1489 O TYR A 99 15.845 -7.124 2.292 1.00 0.00 O ATOM 1490 CB TYR A 99 14.525 -9.862 1.672 1.00 0.00 C ATOM 1491 CG TYR A 99 14.664 -11.013 0.736 1.00 0.00 C ATOM 1492 CD1 TYR A 99 15.860 -11.410 0.185 1.00 0.00 C ATOM 1493 CD2 TYR A 99 13.548 -11.694 0.311 1.00 0.00 C ATOM 1494 CE1 TYR A 99 15.972 -12.346 -0.816 1.00 0.00 C ATOM 1495 CE2 TYR A 99 13.605 -12.645 -0.681 1.00 0.00 C ATOM 1496 CZ TYR A 99 14.822 -12.972 -1.233 1.00 0.00 C ATOM 1497 OH TYR A 99 14.795 -14.035 -2.160 1.00 0.00 O ATOM 0 H TYR A 99 16.362 -8.526 -0.028 1.00 0.00 H new ATOM 0 HA TYR A 99 13.519 -8.445 0.420 1.00 0.00 H new ATOM 0 HB2 TYR A 99 15.358 -9.860 2.375 1.00 0.00 H new ATOM 0 HB3 TYR A 99 13.613 -9.976 2.258 1.00 0.00 H new ATOM 0 HD1 TYR A 99 16.766 -10.959 0.561 1.00 0.00 H new ATOM 0 HD2 TYR A 99 12.596 -11.475 0.771 1.00 0.00 H new ATOM 0 HE1 TYR A 99 16.929 -12.581 -1.258 1.00 0.00 H new ATOM 0 HE2 TYR A 99 12.703 -13.130 -1.023 1.00 0.00 H new ATOM 0 HH TYR A 99 13.869 -14.321 -2.303 1.00 0.00 H new ATOM 1507 N ILE A 100 13.706 -7.022 2.710 1.00 0.00 N ATOM 1508 CA ILE A 100 13.956 -6.186 3.843 1.00 0.00 C ATOM 1509 C ILE A 100 14.136 -7.064 5.032 1.00 0.00 C ATOM 1510 O ILE A 100 13.182 -7.680 5.506 1.00 0.00 O ATOM 1511 CB ILE A 100 12.900 -5.167 4.154 1.00 0.00 C ATOM 1512 CG1 ILE A 100 12.288 -4.519 2.901 1.00 0.00 C ATOM 1513 CG2 ILE A 100 13.416 -4.061 5.089 1.00 0.00 C ATOM 1514 CD1 ILE A 100 11.022 -3.705 3.159 1.00 0.00 C ATOM 0 H ILE A 100 12.722 -7.230 2.541 1.00 0.00 H new ATOM 0 HA ILE A 100 14.844 -5.606 3.593 1.00 0.00 H new ATOM 0 HB ILE A 100 12.116 -5.731 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 100 13.034 -3.870 2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 100 12.059 -5.302 2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 100 12.616 -3.347 5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 100 13.746 -4.504 6.029 1.00 0.00 H new ATOM 0 HG23 ILE A 100 14.253 -3.547 4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 100 10.661 -3.286 2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 100 10.255 -4.351 3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 100 11.245 -2.896 3.855 1.00 0.00 H new ATOM 1526 N SER A 101 15.348 -7.292 5.569 1.00 0.00 N ATOM 1527 CA SER A 101 15.599 -8.035 6.766 1.00 0.00 C ATOM 1528 C SER A 101 14.942 -7.406 7.945 1.00 0.00 C ATOM 1529 O SER A 101 14.855 -6.179 7.963 1.00 0.00 O ATOM 1530 CB SER A 101 17.064 -8.367 7.097 1.00 0.00 C ATOM 1531 OG SER A 101 17.761 -7.167 7.397 1.00 0.00 O ATOM 0 H SER A 101 16.203 -6.936 5.142 1.00 0.00 H new ATOM 0 HA SER A 101 15.151 -9.002 6.539 1.00 0.00 H new ATOM 0 HB2 SER A 101 17.111 -9.050 7.945 1.00 0.00 H new ATOM 0 HB3 SER A 101 17.534 -8.873 6.253 1.00 0.00 H new ATOM 0 HG SER A 101 17.924 -6.668 6.570 1.00 0.00 H new ATOM 1537 N ALA A 102 14.496 -8.158 8.967 1.00 0.00 N ATOM 1538 CA ALA A 102 14.104 -7.670 10.253 1.00 0.00 C ATOM 1539 C ALA A 102 14.831 -6.475 10.767 1.00 0.00 C ATOM 1540 O ALA A 102 14.245 -5.514 11.263 1.00 0.00 O ATOM 1541 CB ALA A 102 14.229 -8.821 11.266 1.00 0.00 C ATOM 0 H ALA A 102 14.404 -9.171 8.890 1.00 0.00 H new ATOM 0 HA ALA A 102 13.079 -7.321 10.126 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.934 -8.469 12.255 1.00 0.00 H new ATOM 0 HB2 ALA A 102 13.580 -9.643 10.965 1.00 0.00 H new ATOM 0 HB3 ALA A 102 15.262 -9.168 11.297 1.00 0.00 H new ATOM 1547 N ALA A 103 16.166 -6.464 10.608 1.00 0.00 N ATOM 1548 CA ALA A 103 17.041 -5.382 10.939 1.00 0.00 C ATOM 1549 C ALA A 103 16.881 -4.129 10.149 1.00 0.00 C ATOM 1550 O ALA A 103 16.719 -3.013 10.638 1.00 0.00 O ATOM 1551 CB ALA A 103 18.535 -5.738 10.866 1.00 0.00 C ATOM 0 H ALA A 103 16.667 -7.264 10.223 1.00 0.00 H new ATOM 0 HA ALA A 103 16.721 -5.196 11.964 1.00 0.00 H new ATOM 0 HB1 ALA A 103 19.131 -4.864 11.131 1.00 0.00 H new ATOM 0 HB2 ALA A 103 18.750 -6.549 11.562 1.00 0.00 H new ATOM 0 HB3 ALA A 103 18.785 -6.054 9.853 1.00 0.00 H new ATOM 1557 N GLU A 104 16.847 -4.307 8.816 1.00 0.00 N ATOM 1558 CA GLU A 104 16.590 -3.185 7.967 1.00 0.00 C ATOM 1559 C GLU A 104 15.234 -2.625 8.228 1.00 0.00 C ATOM 1560 O GLU A 104 15.025 -1.451 8.530 1.00 0.00 O ATOM 1561 CB GLU A 104 16.665 -3.598 6.488 1.00 0.00 C ATOM 1562 CG GLU A 104 18.107 -4.007 6.181 1.00 0.00 C ATOM 1563 CD GLU A 104 18.172 -4.837 4.907 1.00 0.00 C ATOM 1564 OE1 GLU A 104 17.861 -6.057 4.855 1.00 0.00 O ATOM 1565 OE2 GLU A 104 18.526 -4.199 3.880 1.00 0.00 O ATOM 0 H GLU A 104 16.992 -5.196 8.338 1.00 0.00 H new ATOM 0 HA GLU A 104 17.348 -2.432 8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.984 -4.426 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.359 -2.772 5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.727 -3.117 6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.513 -4.580 7.015 1.00 0.00 H new ATOM 1572 N LEU A 105 14.156 -3.427 8.291 1.00 0.00 N ATOM 1573 CA LEU A 105 12.797 -3.078 8.565 1.00 0.00 C ATOM 1574 C LEU A 105 12.638 -2.373 9.868 1.00 0.00 C ATOM 1575 O LEU A 105 11.800 -1.487 10.032 1.00 0.00 O ATOM 1576 CB LEU A 105 11.867 -4.300 8.476 1.00 0.00 C ATOM 1577 CG LEU A 105 10.365 -3.966 8.445 1.00 0.00 C ATOM 1578 CD1 LEU A 105 9.928 -3.113 7.242 1.00 0.00 C ATOM 1579 CD2 LEU A 105 9.539 -5.257 8.317 1.00 0.00 C ATOM 0 H LEU A 105 14.251 -4.430 8.132 1.00 0.00 H new ATOM 0 HA LEU A 105 12.499 -2.375 7.787 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.118 -4.865 7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.063 -4.951 9.328 1.00 0.00 H new ATOM 0 HG LEU A 105 10.195 -3.416 9.371 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.856 -2.925 7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.464 -2.164 7.255 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.154 -3.645 6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.478 -5.009 8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.810 -5.772 7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.743 -5.906 9.169 1.00 0.00 H new ATOM 1591 N ARG A 106 13.435 -2.746 10.885 1.00 0.00 N ATOM 1592 CA ARG A 106 13.235 -2.063 12.126 1.00 0.00 C ATOM 1593 C ARG A 106 13.674 -0.642 12.031 1.00 0.00 C ATOM 1594 O ARG A 106 12.952 0.291 12.377 1.00 0.00 O ATOM 1595 CB ARG A 106 14.077 -2.702 13.242 1.00 0.00 C ATOM 1596 CG ARG A 106 13.997 -1.999 14.599 1.00 0.00 C ATOM 1597 CD ARG A 106 14.468 -2.860 15.773 1.00 0.00 C ATOM 1598 NE ARG A 106 14.585 -1.947 16.944 1.00 0.00 N ATOM 1599 CZ ARG A 106 15.690 -2.022 17.743 1.00 0.00 C ATOM 1600 NH1 ARG A 106 16.512 -3.111 17.757 1.00 0.00 N ATOM 1601 NH2 ARG A 106 15.957 -0.963 18.562 1.00 0.00 N ATOM 0 H ARG A 106 14.162 -3.461 10.861 1.00 0.00 H new ATOM 0 HA ARG A 106 12.170 -2.128 12.349 1.00 0.00 H new ATOM 0 HB2 ARG A 106 13.760 -3.737 13.367 1.00 0.00 H new ATOM 0 HB3 ARG A 106 15.119 -2.724 12.922 1.00 0.00 H new ATOM 0 HG2 ARG A 106 14.599 -1.091 14.563 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.967 -1.691 14.777 1.00 0.00 H new ATOM 0 HD2 ARG A 106 13.758 -3.662 15.975 1.00 0.00 H new ATOM 0 HD3 ARG A 106 15.426 -3.330 15.550 1.00 0.00 H new ATOM 0 HE ARG A 106 13.847 -1.273 17.147 1.00 0.00 H new ATOM 0 HH11 ARG A 106 16.311 -3.910 17.155 1.00 0.00 H new ATOM 0 HH12 ARG A 106 17.328 -3.126 18.369 1.00 0.00 H new ATOM 0 HH21 ARG A 106 15.340 -0.151 18.563 1.00 0.00 H new ATOM 0 HH22 ARG A 106 16.774 -0.984 19.173 1.00 0.00 H new ATOM 1615 N HIS A 107 14.935 -0.520 11.579 1.00 0.00 N ATOM 1616 CA HIS A 107 15.495 0.789 11.447 1.00 0.00 C ATOM 1617 C HIS A 107 14.676 1.722 10.624 1.00 0.00 C ATOM 1618 O HIS A 107 14.478 2.855 11.059 1.00 0.00 O ATOM 1619 CB HIS A 107 16.895 0.693 10.817 1.00 0.00 C ATOM 1620 CG HIS A 107 17.607 1.986 10.547 1.00 0.00 C ATOM 1621 ND1 HIS A 107 17.748 3.005 11.467 1.00 0.00 N ATOM 1622 CD2 HIS A 107 18.297 2.384 9.445 1.00 0.00 C ATOM 1623 CE1 HIS A 107 18.484 3.969 10.852 1.00 0.00 C ATOM 1624 NE2 HIS A 107 18.850 3.634 9.629 1.00 0.00 N ATOM 0 H HIS A 107 15.546 -1.293 11.314 1.00 0.00 H new ATOM 0 HA HIS A 107 15.531 1.197 12.457 1.00 0.00 H new ATOM 0 HB2 HIS A 107 17.522 0.091 11.474 1.00 0.00 H new ATOM 0 HB3 HIS A 107 16.807 0.151 9.875 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.399 1.798 8.544 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.742 4.910 11.316 1.00 0.00 H new ATOM 0 HE2 HIS A 107 19.412 4.175 8.972 1.00 0.00 H new ATOM 1632 N VAL A 108 14.135 1.432 9.427 1.00 0.00 N ATOM 1633 CA VAL A 108 13.437 2.378 8.613 1.00 0.00 C ATOM 1634 C VAL A 108 12.031 2.613 9.046 1.00 0.00 C ATOM 1635 O VAL A 108 11.473 3.680 8.796 1.00 0.00 O ATOM 1636 CB VAL A 108 13.489 2.201 7.124 1.00 0.00 C ATOM 1637 CG1 VAL A 108 14.770 2.792 6.513 1.00 0.00 C ATOM 1638 CG2 VAL A 108 13.388 0.707 6.773 1.00 0.00 C ATOM 0 H VAL A 108 14.186 0.502 9.010 1.00 0.00 H new ATOM 0 HA VAL A 108 14.039 3.267 8.802 1.00 0.00 H new ATOM 0 HB VAL A 108 12.643 2.742 6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.762 2.640 5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 108 14.817 3.859 6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 108 15.640 2.296 6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.426 0.584 5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.219 0.169 7.229 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.447 0.307 7.150 1.00 0.00 H new ATOM 1648 N MET A 109 11.364 1.664 9.727 1.00 0.00 N ATOM 1649 CA MET A 109 10.055 1.897 10.254 1.00 0.00 C ATOM 1650 C MET A 109 10.094 2.630 11.551 1.00 0.00 C ATOM 1651 O MET A 109 9.302 3.528 11.831 1.00 0.00 O ATOM 1652 CB MET A 109 9.288 0.573 10.413 1.00 0.00 C ATOM 1653 CG MET A 109 9.003 -0.173 9.108 1.00 0.00 C ATOM 1654 SD MET A 109 8.093 0.857 7.919 1.00 0.00 S ATOM 1655 CE MET A 109 7.335 -0.499 6.978 1.00 0.00 C ATOM 0 H MET A 109 11.733 0.732 9.913 1.00 0.00 H new ATOM 0 HA MET A 109 9.530 2.527 9.536 1.00 0.00 H new ATOM 0 HB2 MET A 109 9.858 -0.083 11.071 1.00 0.00 H new ATOM 0 HB3 MET A 109 8.340 0.778 10.911 1.00 0.00 H new ATOM 0 HG2 MET A 109 9.944 -0.496 8.662 1.00 0.00 H new ATOM 0 HG3 MET A 109 8.427 -1.073 9.323 1.00 0.00 H new ATOM 0 HE1 MET A 109 6.513 -0.110 6.377 1.00 0.00 H new ATOM 0 HE2 MET A 109 8.081 -0.950 6.324 1.00 0.00 H new ATOM 0 HE3 MET A 109 6.955 -1.252 7.668 1.00 0.00 H new ATOM 1665 N THR A 110 11.173 2.474 12.339 1.00 0.00 N ATOM 1666 CA THR A 110 11.530 3.405 13.363 1.00 0.00 C ATOM 1667 C THR A 110 11.890 4.792 12.954 1.00 0.00 C ATOM 1668 O THR A 110 11.390 5.716 13.594 1.00 0.00 O ATOM 1669 CB THR A 110 12.754 3.005 14.132 1.00 0.00 C ATOM 1670 OG1 THR A 110 12.570 1.697 14.653 1.00 0.00 O ATOM 1671 CG2 THR A 110 13.061 3.912 15.336 1.00 0.00 C ATOM 0 H THR A 110 11.812 1.682 12.262 1.00 0.00 H new ATOM 0 HA THR A 110 10.592 3.390 13.918 1.00 0.00 H new ATOM 0 HB THR A 110 13.581 3.077 13.426 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.581 1.048 13.919 1.00 0.00 H new ATOM 0 HG21 THR A 110 13.960 3.557 15.839 1.00 0.00 H new ATOM 0 HG22 THR A 110 13.218 4.934 14.991 1.00 0.00 H new ATOM 0 HG23 THR A 110 12.223 3.889 16.032 1.00 0.00 H new ATOM 1679 N ASN A 111 12.549 5.089 11.820 1.00 0.00 N ATOM 1680 CA ASN A 111 12.717 6.412 11.305 1.00 0.00 C ATOM 1681 C ASN A 111 11.514 7.098 10.756 1.00 0.00 C ATOM 1682 O ASN A 111 11.517 8.321 10.623 1.00 0.00 O ATOM 1683 CB ASN A 111 13.764 6.318 10.182 1.00 0.00 C ATOM 1684 CG ASN A 111 15.137 5.907 10.693 1.00 0.00 C ATOM 1685 OD1 ASN A 111 15.353 5.976 11.902 1.00 0.00 O ATOM 1686 ND2 ASN A 111 16.041 5.461 9.780 1.00 0.00 N ATOM 0 H ASN A 111 12.984 4.375 11.236 1.00 0.00 H new ATOM 0 HA ASN A 111 13.001 7.023 12.162 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.428 5.598 9.436 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.841 7.283 9.681 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.966 5.157 10.084 1.00 0.00 H new ATOM 0 HD22 ASN A 111 15.794 5.430 8.791 1.00 0.00 H new ATOM 1693 N LEU A 112 10.504 6.291 10.385 1.00 0.00 N ATOM 1694 CA LEU A 112 9.277 6.760 9.821 1.00 0.00 C ATOM 1695 C LEU A 112 8.369 7.359 10.840 1.00 0.00 C ATOM 1696 O LEU A 112 7.875 8.485 10.821 1.00 0.00 O ATOM 1697 CB LEU A 112 8.448 5.761 8.996 1.00 0.00 C ATOM 1698 CG LEU A 112 7.352 6.259 8.039 1.00 0.00 C ATOM 1699 CD1 LEU A 112 8.028 7.024 6.889 1.00 0.00 C ATOM 1700 CD2 LEU A 112 6.383 5.177 7.535 1.00 0.00 C ATOM 0 H LEU A 112 10.543 5.276 10.481 1.00 0.00 H new ATOM 0 HA LEU A 112 9.652 7.505 9.120 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.149 5.173 8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.974 5.077 9.700 1.00 0.00 H new ATOM 0 HG LEU A 112 6.699 6.922 8.606 1.00 0.00 H new ATOM 0 HD11 LEU A 112 7.268 7.387 6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.585 7.870 7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.711 6.358 6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 112 5.649 5.628 6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.941 4.411 6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.871 4.723 8.384 1.00 0.00 H new ATOM 1712 N GLY A 113 8.097 6.691 11.975 1.00 0.00 N ATOM 1713 CA GLY A 113 7.415 7.270 13.091 1.00 0.00 C ATOM 1714 C GLY A 113 7.096 6.527 14.342 1.00 0.00 C ATOM 1715 O GLY A 113 7.486 7.074 15.372 1.00 0.00 O ATOM 0 H GLY A 113 8.360 5.716 12.121 1.00 0.00 H new ATOM 0 HA2 GLY A 113 8.003 8.137 13.392 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.466 7.645 12.708 1.00 0.00 H new ATOM 1719 N GLU A 114 6.454 5.346 14.382 1.00 0.00 N ATOM 1720 CA GLU A 114 6.337 4.507 15.534 1.00 0.00 C ATOM 1721 C GLU A 114 7.628 3.808 15.788 1.00 0.00 C ATOM 1722 O GLU A 114 8.289 3.344 14.860 1.00 0.00 O ATOM 1723 CB GLU A 114 5.212 3.484 15.306 1.00 0.00 C ATOM 1724 CG GLU A 114 3.817 4.106 15.223 1.00 0.00 C ATOM 1725 CD GLU A 114 2.743 3.037 15.075 1.00 0.00 C ATOM 1726 OE1 GLU A 114 2.715 2.404 13.986 1.00 0.00 O ATOM 1727 OE2 GLU A 114 1.891 2.870 15.988 1.00 0.00 O ATOM 0 H GLU A 114 5.990 4.955 13.562 1.00 0.00 H new ATOM 0 HA GLU A 114 6.096 5.116 16.405 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.412 2.939 14.384 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.227 2.755 16.117 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.625 4.695 16.120 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.771 4.790 14.376 1.00 0.00 H new ATOM 1734 N LYS A 115 8.090 3.765 17.050 1.00 0.00 N ATOM 1735 CA LYS A 115 9.351 3.184 17.395 1.00 0.00 C ATOM 1736 C LYS A 115 9.094 1.735 17.626 1.00 0.00 C ATOM 1737 O LYS A 115 8.234 1.342 18.412 1.00 0.00 O ATOM 1738 CB LYS A 115 9.938 3.890 18.629 1.00 0.00 C ATOM 1739 CG LYS A 115 10.270 5.375 18.476 1.00 0.00 C ATOM 1740 CD LYS A 115 11.239 5.915 19.530 1.00 0.00 C ATOM 1741 CE LYS A 115 11.419 7.426 19.691 1.00 0.00 C ATOM 1742 NZ LYS A 115 11.496 7.955 18.311 1.00 0.00 N ATOM 0 H LYS A 115 7.578 4.141 17.848 1.00 0.00 H new ATOM 0 HA LYS A 115 10.093 3.303 16.605 1.00 0.00 H new ATOM 0 HB2 LYS A 115 9.231 3.782 19.451 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.848 3.366 18.920 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.698 5.540 17.487 1.00 0.00 H new ATOM 0 HG3 LYS A 115 9.344 5.949 18.522 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.923 5.520 20.496 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.220 5.491 19.318 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.584 7.866 20.236 1.00 0.00 H new ATOM 0 HE3 LYS A 115 12.324 7.657 20.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 11.852 8.932 18.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.141 7.364 17.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.549 7.941 17.881 1.00 0.00 H new ATOM 1756 N LEU A 116 9.873 0.839 16.994 1.00 0.00 N ATOM 1757 CA LEU A 116 9.658 -0.572 17.089 1.00 0.00 C ATOM 1758 C LEU A 116 10.843 -1.163 17.771 1.00 0.00 C ATOM 1759 O LEU A 116 11.969 -0.752 17.493 1.00 0.00 O ATOM 1760 CB LEU A 116 9.597 -1.112 15.650 1.00 0.00 C ATOM 1761 CG LEU A 116 8.582 -0.536 14.648 1.00 0.00 C ATOM 1762 CD1 LEU A 116 8.672 -1.212 13.269 1.00 0.00 C ATOM 1763 CD2 LEU A 116 7.106 -0.699 15.051 1.00 0.00 C ATOM 0 H LEU A 116 10.666 1.098 16.407 1.00 0.00 H new ATOM 0 HA LEU A 116 8.746 -0.812 17.636 1.00 0.00 H new ATOM 0 HB2 LEU A 116 10.588 -0.984 15.215 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.413 -2.184 15.715 1.00 0.00 H new ATOM 0 HG LEU A 116 8.858 0.518 14.629 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.935 -0.770 12.598 1.00 0.00 H new ATOM 0 HD12 LEU A 116 9.671 -1.067 12.857 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.474 -2.279 13.373 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.469 -0.262 14.282 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.873 -1.758 15.157 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.930 -0.192 16.000 1.00 0.00 H new ATOM 1775 N THR A 117 10.622 -2.177 18.626 1.00 0.00 N ATOM 1776 CA THR A 117 11.661 -2.860 19.333 1.00 0.00 C ATOM 1777 C THR A 117 11.927 -4.070 18.504 1.00 0.00 C ATOM 1778 O THR A 117 11.344 -4.209 17.430 1.00 0.00 O ATOM 1779 CB THR A 117 11.244 -3.237 20.723 1.00 0.00 C ATOM 1780 OG1 THR A 117 9.938 -3.791 20.680 1.00 0.00 O ATOM 1781 CG2 THR A 117 11.136 -1.973 21.593 1.00 0.00 C ATOM 0 H THR A 117 9.689 -2.534 18.832 1.00 0.00 H new ATOM 0 HA THR A 117 12.544 -2.234 19.465 1.00 0.00 H new ATOM 0 HB THR A 117 11.975 -3.938 21.125 1.00 0.00 H new ATOM 0 HG1 THR A 117 9.659 -4.042 21.585 1.00 0.00 H new ATOM 0 HG21 THR A 117 10.833 -2.251 22.602 1.00 0.00 H new ATOM 0 HG22 THR A 117 12.104 -1.473 21.630 1.00 0.00 H new ATOM 0 HG23 THR A 117 10.395 -1.298 21.164 1.00 0.00 H new ATOM 1789 N ASP A 118 12.773 -5.025 18.929 1.00 0.00 N ATOM 1790 CA ASP A 118 13.035 -6.155 18.094 1.00 0.00 C ATOM 1791 C ASP A 118 11.914 -7.098 17.820 1.00 0.00 C ATOM 1792 O ASP A 118 11.683 -7.567 16.707 1.00 0.00 O ATOM 1793 CB ASP A 118 14.247 -6.950 18.608 1.00 0.00 C ATOM 1794 CG ASP A 118 15.531 -6.134 18.547 1.00 0.00 C ATOM 1795 OD1 ASP A 118 16.070 -5.750 17.475 1.00 0.00 O ATOM 1796 OD2 ASP A 118 16.031 -5.772 19.645 1.00 0.00 O ATOM 0 H ASP A 118 13.263 -5.018 19.824 1.00 0.00 H new ATOM 0 HA ASP A 118 13.228 -5.684 17.130 1.00 0.00 H new ATOM 0 HB2 ASP A 118 14.065 -7.264 19.636 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.365 -7.856 18.014 1.00 0.00 H new ATOM 1801 N GLU A 119 11.184 -7.325 18.927 1.00 0.00 N ATOM 1802 CA GLU A 119 10.116 -8.276 18.936 1.00 0.00 C ATOM 1803 C GLU A 119 8.886 -7.723 18.303 1.00 0.00 C ATOM 1804 O GLU A 119 8.093 -8.498 17.771 1.00 0.00 O ATOM 1805 CB GLU A 119 9.798 -8.765 20.359 1.00 0.00 C ATOM 1806 CG GLU A 119 10.992 -9.451 21.025 1.00 0.00 C ATOM 1807 CD GLU A 119 10.507 -10.007 22.356 1.00 0.00 C ATOM 1808 OE1 GLU A 119 9.815 -11.059 22.304 1.00 0.00 O ATOM 1809 OE2 GLU A 119 10.851 -9.387 23.398 1.00 0.00 O ATOM 0 H GLU A 119 11.334 -6.849 19.817 1.00 0.00 H new ATOM 0 HA GLU A 119 10.455 -9.129 18.349 1.00 0.00 H new ATOM 0 HB2 GLU A 119 9.484 -7.918 20.969 1.00 0.00 H new ATOM 0 HB3 GLU A 119 8.959 -9.460 20.322 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.379 -10.250 20.392 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.806 -8.743 21.178 1.00 0.00 H new ATOM 1816 N GLU A 120 8.700 -6.391 18.316 1.00 0.00 N ATOM 1817 CA GLU A 120 7.660 -5.696 17.624 1.00 0.00 C ATOM 1818 C GLU A 120 7.890 -5.830 16.158 1.00 0.00 C ATOM 1819 O GLU A 120 7.028 -6.154 15.343 1.00 0.00 O ATOM 1820 CB GLU A 120 7.463 -4.231 18.049 1.00 0.00 C ATOM 1821 CG GLU A 120 6.209 -3.617 17.421 1.00 0.00 C ATOM 1822 CD GLU A 120 4.877 -4.168 17.911 1.00 0.00 C ATOM 1823 OE1 GLU A 120 4.584 -5.368 17.664 1.00 0.00 O ATOM 1824 OE2 GLU A 120 4.082 -3.340 18.431 1.00 0.00 O ATOM 0 H GLU A 120 9.311 -5.764 18.840 1.00 0.00 H new ATOM 0 HA GLU A 120 6.717 -6.167 17.903 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.389 -4.175 19.135 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.337 -3.648 17.758 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.224 -2.543 17.604 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.262 -3.757 16.341 1.00 0.00 H new ATOM 1831 N VAL A 121 9.122 -5.786 15.619 1.00 0.00 N ATOM 1832 CA VAL A 121 9.497 -6.006 14.257 1.00 0.00 C ATOM 1833 C VAL A 121 9.300 -7.439 13.900 1.00 0.00 C ATOM 1834 O VAL A 121 8.605 -7.722 12.925 1.00 0.00 O ATOM 1835 CB VAL A 121 10.871 -5.479 13.966 1.00 0.00 C ATOM 1836 CG1 VAL A 121 11.319 -5.810 12.532 1.00 0.00 C ATOM 1837 CG2 VAL A 121 10.645 -3.959 14.033 1.00 0.00 C ATOM 0 H VAL A 121 9.935 -5.575 16.198 1.00 0.00 H new ATOM 0 HA VAL A 121 8.841 -5.431 13.604 1.00 0.00 H new ATOM 0 HB VAL A 121 11.622 -5.889 14.642 1.00 0.00 H new ATOM 0 HG11 VAL A 121 12.319 -5.411 12.362 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.332 -6.891 12.395 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.624 -5.363 11.821 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.584 -3.442 13.836 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.907 -3.668 13.286 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.283 -3.688 15.025 1.00 0.00 H new ATOM 1847 N ASP A 122 9.898 -8.435 14.578 1.00 0.00 N ATOM 1848 CA ASP A 122 9.636 -9.831 14.411 1.00 0.00 C ATOM 1849 C ASP A 122 8.206 -10.215 14.243 1.00 0.00 C ATOM 1850 O ASP A 122 7.810 -11.059 13.441 1.00 0.00 O ATOM 1851 CB ASP A 122 10.239 -10.647 15.567 1.00 0.00 C ATOM 1852 CG ASP A 122 11.754 -10.708 15.442 1.00 0.00 C ATOM 1853 OD1 ASP A 122 12.411 -10.049 14.592 1.00 0.00 O ATOM 1854 OD2 ASP A 122 12.357 -11.496 16.219 1.00 0.00 O ATOM 0 H ASP A 122 10.609 -8.253 15.287 1.00 0.00 H new ATOM 0 HA ASP A 122 10.119 -10.067 13.463 1.00 0.00 H new ATOM 0 HB2 ASP A 122 9.965 -10.196 16.520 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.827 -11.656 15.562 1.00 0.00 H new ATOM 1859 N GLU A 123 7.276 -9.649 15.032 1.00 0.00 N ATOM 1860 CA GLU A 123 5.882 -9.967 15.048 1.00 0.00 C ATOM 1861 C GLU A 123 5.100 -9.503 13.868 1.00 0.00 C ATOM 1862 O GLU A 123 4.177 -10.211 13.465 1.00 0.00 O ATOM 1863 CB GLU A 123 5.249 -9.416 16.337 1.00 0.00 C ATOM 1864 CG GLU A 123 3.953 -10.088 16.795 1.00 0.00 C ATOM 1865 CD GLU A 123 3.479 -9.559 18.141 1.00 0.00 C ATOM 1866 OE1 GLU A 123 3.884 -10.097 19.205 1.00 0.00 O ATOM 1867 OE2 GLU A 123 2.551 -8.707 18.150 1.00 0.00 O ATOM 0 H GLU A 123 7.515 -8.920 15.704 1.00 0.00 H new ATOM 0 HA GLU A 123 5.835 -11.055 15.006 1.00 0.00 H new ATOM 0 HB2 GLU A 123 5.981 -9.500 17.141 1.00 0.00 H new ATOM 0 HB3 GLU A 123 5.052 -8.353 16.195 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.177 -9.924 16.048 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.108 -11.165 16.863 1.00 0.00 H new ATOM 1874 N MET A 124 5.517 -8.355 13.306 1.00 0.00 N ATOM 1875 CA MET A 124 5.049 -7.749 12.098 1.00 0.00 C ATOM 1876 C MET A 124 5.364 -8.610 10.924 1.00 0.00 C ATOM 1877 O MET A 124 4.522 -8.901 10.076 1.00 0.00 O ATOM 1878 CB MET A 124 5.693 -6.370 11.877 1.00 0.00 C ATOM 1879 CG MET A 124 4.787 -5.436 11.072 1.00 0.00 C ATOM 1880 SD MET A 124 5.578 -3.835 10.729 1.00 0.00 S ATOM 1881 CE MET A 124 5.440 -3.123 12.393 1.00 0.00 C ATOM 0 H MET A 124 6.253 -7.799 13.741 1.00 0.00 H new ATOM 0 HA MET A 124 3.970 -7.631 12.196 1.00 0.00 H new ATOM 0 HB2 MET A 124 5.916 -5.915 12.842 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.642 -6.493 11.355 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.519 -5.916 10.131 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.860 -5.271 11.621 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.640 -2.052 12.348 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.434 -3.289 12.777 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.164 -3.600 13.054 1.00 0.00 H new ATOM 1891 N ILE A 125 6.633 -9.052 10.852 1.00 0.00 N ATOM 1892 CA ILE A 125 7.175 -10.011 9.940 1.00 0.00 C ATOM 1893 C ILE A 125 6.562 -11.368 10.008 1.00 0.00 C ATOM 1894 O ILE A 125 5.903 -11.776 9.054 1.00 0.00 O ATOM 1895 CB ILE A 125 8.658 -10.139 10.124 1.00 0.00 C ATOM 1896 CG1 ILE A 125 9.419 -8.863 9.727 1.00 0.00 C ATOM 1897 CG2 ILE A 125 9.241 -11.296 9.296 1.00 0.00 C ATOM 1898 CD1 ILE A 125 10.849 -8.821 10.263 1.00 0.00 C ATOM 0 H ILE A 125 7.345 -8.703 11.494 1.00 0.00 H new ATOM 0 HA ILE A 125 6.932 -9.613 8.955 1.00 0.00 H new ATOM 0 HB ILE A 125 8.791 -10.327 11.189 1.00 0.00 H new ATOM 0 HG12 ILE A 125 9.443 -8.786 8.640 1.00 0.00 H new ATOM 0 HG13 ILE A 125 8.874 -7.994 10.096 1.00 0.00 H new ATOM 0 HG21 ILE A 125 10.317 -11.353 9.458 1.00 0.00 H new ATOM 0 HG22 ILE A 125 8.777 -12.233 9.603 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.042 -11.123 8.238 1.00 0.00 H new ATOM 0 HD11 ILE A 125 11.329 -7.895 9.947 1.00 0.00 H new ATOM 0 HD12 ILE A 125 10.831 -8.867 11.352 1.00 0.00 H new ATOM 0 HD13 ILE A 125 11.409 -9.671 9.873 1.00 0.00 H new ATOM 1910 N ARG A 126 6.566 -12.066 11.158 1.00 0.00 N ATOM 1911 CA ARG A 126 6.202 -13.425 11.416 1.00 0.00 C ATOM 1912 C ARG A 126 4.861 -13.814 10.897 1.00 0.00 C ATOM 1913 O ARG A 126 4.634 -14.876 10.319 1.00 0.00 O ATOM 1914 CB ARG A 126 6.418 -13.763 12.900 1.00 0.00 C ATOM 1915 CG ARG A 126 6.454 -15.266 13.182 1.00 0.00 C ATOM 1916 CD ARG A 126 7.446 -15.838 14.197 1.00 0.00 C ATOM 1917 NE ARG A 126 7.586 -17.314 14.051 1.00 0.00 N ATOM 1918 CZ ARG A 126 8.565 -18.012 14.696 1.00 0.00 C ATOM 1919 NH1 ARG A 126 9.141 -17.493 15.819 1.00 0.00 N ATOM 1920 NH2 ARG A 126 8.968 -19.265 14.334 1.00 0.00 N ATOM 0 H ARG A 126 6.866 -11.611 12.020 1.00 0.00 H new ATOM 0 HA ARG A 126 6.877 -14.052 10.833 1.00 0.00 H new ATOM 0 HB2 ARG A 126 7.354 -13.316 13.234 1.00 0.00 H new ATOM 0 HB3 ARG A 126 5.620 -13.310 13.488 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.455 -15.557 13.508 1.00 0.00 H new ATOM 0 HG3 ARG A 126 6.639 -15.768 12.232 1.00 0.00 H new ATOM 0 HD2 ARG A 126 8.419 -15.364 14.064 1.00 0.00 H new ATOM 0 HD3 ARG A 126 7.112 -15.601 15.207 1.00 0.00 H new ATOM 0 HE ARG A 126 6.931 -17.817 13.452 1.00 0.00 H new ATOM 0 HH11 ARG A 126 8.839 -16.586 16.174 1.00 0.00 H new ATOM 0 HH12 ARG A 126 9.873 -18.012 16.303 1.00 0.00 H new ATOM 0 HH21 ARG A 126 8.530 -19.732 13.540 1.00 0.00 H new ATOM 0 HH22 ARG A 126 9.707 -19.734 14.858 1.00 0.00 H new ATOM 1934 N GLU A 127 3.826 -12.965 11.034 1.00 0.00 N ATOM 1935 CA GLU A 127 2.486 -13.247 10.624 1.00 0.00 C ATOM 1936 C GLU A 127 2.413 -13.314 9.137 1.00 0.00 C ATOM 1937 O GLU A 127 1.633 -14.045 8.529 1.00 0.00 O ATOM 1938 CB GLU A 127 1.418 -12.302 11.199 1.00 0.00 C ATOM 1939 CG GLU A 127 1.229 -12.523 12.701 1.00 0.00 C ATOM 1940 CD GLU A 127 0.320 -13.731 12.878 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -0.803 -13.575 12.329 1.00 0.00 O ATOM 1942 OE2 GLU A 127 0.651 -14.827 13.403 1.00 0.00 O ATOM 0 H GLU A 127 3.929 -12.039 11.450 1.00 0.00 H new ATOM 0 HA GLU A 127 2.240 -14.219 11.051 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.708 -11.268 11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.471 -12.464 10.684 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.190 -12.692 13.187 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.788 -11.641 13.165 1.00 0.00 H new ATOM 1949 N ALA A 128 3.289 -12.601 8.407 1.00 0.00 N ATOM 1950 CA ALA A 128 3.297 -12.588 6.977 1.00 0.00 C ATOM 1951 C ALA A 128 4.344 -13.411 6.309 1.00 0.00 C ATOM 1952 O ALA A 128 4.420 -13.468 5.083 1.00 0.00 O ATOM 1953 CB ALA A 128 3.388 -11.125 6.512 1.00 0.00 C ATOM 0 H ALA A 128 4.013 -12.016 8.824 1.00 0.00 H new ATOM 0 HA ALA A 128 2.367 -13.067 6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.396 -11.089 5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.528 -10.570 6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.305 -10.677 6.896 1.00 0.00 H new ATOM 1959 N ASP A 129 5.214 -14.115 7.055 1.00 0.00 N ATOM 1960 CA ASP A 129 6.491 -14.561 6.591 1.00 0.00 C ATOM 1961 C ASP A 129 6.233 -15.980 6.218 1.00 0.00 C ATOM 1962 O ASP A 129 6.017 -16.915 6.987 1.00 0.00 O ATOM 1963 CB ASP A 129 7.738 -14.303 7.454 1.00 0.00 C ATOM 1964 CG ASP A 129 9.019 -14.992 7.005 1.00 0.00 C ATOM 1965 OD1 ASP A 129 9.038 -15.471 5.840 1.00 0.00 O ATOM 1966 OD2 ASP A 129 10.018 -15.059 7.770 1.00 0.00 O ATOM 0 H ASP A 129 5.020 -14.384 8.020 1.00 0.00 H new ATOM 0 HA ASP A 129 6.826 -13.941 5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.919 -13.228 7.483 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.519 -14.617 8.475 1.00 0.00 H new ATOM 1971 N ILE A 130 6.265 -16.363 4.929 1.00 0.00 N ATOM 1972 CA ILE A 130 6.069 -17.677 4.401 1.00 0.00 C ATOM 1973 C ILE A 130 7.288 -18.523 4.533 1.00 0.00 C ATOM 1974 O ILE A 130 7.159 -19.658 4.990 1.00 0.00 O ATOM 1975 CB ILE A 130 5.563 -17.578 2.992 1.00 0.00 C ATOM 1976 CG1 ILE A 130 4.056 -17.320 3.153 1.00 0.00 C ATOM 1977 CG2 ILE A 130 5.912 -18.796 2.120 1.00 0.00 C ATOM 1978 CD1 ILE A 130 3.446 -16.743 1.876 1.00 0.00 C ATOM 0 H ILE A 130 6.446 -15.686 4.188 1.00 0.00 H new ATOM 0 HA ILE A 130 5.310 -18.189 4.992 1.00 0.00 H new ATOM 0 HB ILE A 130 6.047 -16.775 2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 130 3.552 -18.252 3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 130 3.890 -16.630 3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 130 5.513 -18.651 1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 130 6.995 -18.907 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 130 5.476 -19.694 2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.380 -16.573 2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.933 -15.798 1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 130 3.589 -17.445 1.055 1.00 0.00 H new ATOM 1990 N ASP A 131 8.530 -18.107 4.225 1.00 0.00 N ATOM 1991 CA ASP A 131 9.701 -18.910 4.395 1.00 0.00 C ATOM 1992 C ASP A 131 10.045 -19.313 5.788 1.00 0.00 C ATOM 1993 O ASP A 131 10.718 -20.322 5.991 1.00 0.00 O ATOM 1994 CB ASP A 131 10.973 -18.211 3.888 1.00 0.00 C ATOM 1995 CG ASP A 131 10.797 -17.382 2.623 1.00 0.00 C ATOM 1996 OD1 ASP A 131 10.093 -16.361 2.845 1.00 0.00 O ATOM 1997 OD2 ASP A 131 11.339 -17.706 1.533 1.00 0.00 O ATOM 0 H ASP A 131 8.725 -17.181 3.845 1.00 0.00 H new ATOM 0 HA ASP A 131 9.418 -19.792 3.820 1.00 0.00 H new ATOM 0 HB2 ASP A 131 11.352 -17.563 4.678 1.00 0.00 H new ATOM 0 HB3 ASP A 131 11.735 -18.968 3.704 1.00 0.00 H new ATOM 2002 N GLY A 132 9.795 -18.339 6.681 1.00 0.00 N ATOM 2003 CA GLY A 132 10.300 -18.415 8.016 1.00 0.00 C ATOM 2004 C GLY A 132 11.672 -17.835 7.981 1.00 0.00 C ATOM 2005 O GLY A 132 12.535 -18.242 8.756 1.00 0.00 O ATOM 0 H GLY A 132 9.246 -17.503 6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 132 9.662 -17.861 8.705 1.00 0.00 H new ATOM 0 HA3 GLY A 132 10.324 -19.448 8.364 1.00 0.00 H new ATOM 2009 N ASP A 133 12.037 -16.875 7.112 1.00 0.00 N ATOM 2010 CA ASP A 133 13.408 -16.546 6.870 1.00 0.00 C ATOM 2011 C ASP A 133 13.767 -15.379 7.724 1.00 0.00 C ATOM 2012 O ASP A 133 14.950 -15.190 8.003 1.00 0.00 O ATOM 2013 CB ASP A 133 13.805 -16.385 5.393 1.00 0.00 C ATOM 2014 CG ASP A 133 13.099 -15.224 4.708 1.00 0.00 C ATOM 2015 OD1 ASP A 133 11.904 -14.963 5.013 1.00 0.00 O ATOM 2016 OD2 ASP A 133 13.574 -14.620 3.709 1.00 0.00 O ATOM 0 H ASP A 133 11.373 -16.321 6.571 1.00 0.00 H new ATOM 0 HA ASP A 133 14.010 -17.408 7.156 1.00 0.00 H new ATOM 0 HB2 ASP A 133 14.883 -16.237 5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 133 13.577 -17.307 4.859 1.00 0.00 H new ATOM 2021 N GLY A 134 12.816 -14.578 8.237 1.00 0.00 N ATOM 2022 CA GLY A 134 13.098 -13.456 9.078 1.00 0.00 C ATOM 2023 C GLY A 134 13.233 -12.178 8.324 1.00 0.00 C ATOM 2024 O GLY A 134 13.479 -11.111 8.885 1.00 0.00 O ATOM 0 H GLY A 134 11.821 -14.715 8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 134 12.302 -13.353 9.815 1.00 0.00 H new ATOM 0 HA3 GLY A 134 14.020 -13.645 9.628 1.00 0.00 H new ATOM 2028 N GLN A 135 13.121 -12.332 6.993 1.00 0.00 N ATOM 2029 CA GLN A 135 13.030 -11.244 6.069 1.00 0.00 C ATOM 2030 C GLN A 135 11.668 -11.129 5.476 1.00 0.00 C ATOM 2031 O GLN A 135 10.938 -12.115 5.389 1.00 0.00 O ATOM 2032 CB GLN A 135 14.076 -11.332 4.945 1.00 0.00 C ATOM 2033 CG GLN A 135 15.538 -11.544 5.342 1.00 0.00 C ATOM 2034 CD GLN A 135 16.561 -11.642 4.219 1.00 0.00 C ATOM 2035 OE1 GLN A 135 17.387 -10.762 3.985 1.00 0.00 O ATOM 2036 NE2 GLN A 135 16.467 -12.794 3.502 1.00 0.00 N ATOM 0 H GLN A 135 13.093 -13.247 6.543 1.00 0.00 H new ATOM 0 HA GLN A 135 13.236 -10.347 6.653 1.00 0.00 H new ATOM 0 HB2 GLN A 135 13.788 -12.149 4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 135 14.018 -10.413 4.362 1.00 0.00 H new ATOM 0 HG2 GLN A 135 15.832 -10.722 5.995 1.00 0.00 H new ATOM 0 HG3 GLN A 135 15.598 -12.458 5.933 1.00 0.00 H new ATOM 0 HE21 GLN A 135 15.760 -13.489 3.743 1.00 0.00 H new ATOM 0 HE22 GLN A 135 17.103 -12.963 2.723 1.00 0.00 H new ATOM 2045 N VAL A 136 11.240 -9.922 5.064 1.00 0.00 N ATOM 2046 CA VAL A 136 10.059 -9.510 4.371 1.00 0.00 C ATOM 2047 C VAL A 136 10.274 -9.182 2.934 1.00 0.00 C ATOM 2048 O VAL A 136 11.072 -8.296 2.630 1.00 0.00 O ATOM 2049 CB VAL A 136 9.344 -8.486 5.203 1.00 0.00 C ATOM 2050 CG1 VAL A 136 8.825 -7.298 4.376 1.00 0.00 C ATOM 2051 CG2 VAL A 136 8.154 -9.171 5.897 1.00 0.00 C ATOM 0 H VAL A 136 11.824 -9.107 5.252 1.00 0.00 H new ATOM 0 HA VAL A 136 9.379 -10.356 4.269 1.00 0.00 H new ATOM 0 HB VAL A 136 10.057 -8.087 5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 136 8.317 -6.592 5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 136 9.663 -6.801 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.126 -7.658 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 136 7.620 -8.443 6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 136 7.479 -9.578 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 136 8.519 -9.979 6.532 1.00 0.00 H new ATOM 2061 N ASN A 137 9.634 -9.891 1.987 1.00 0.00 N ATOM 2062 CA ASN A 137 9.815 -9.701 0.581 1.00 0.00 C ATOM 2063 C ASN A 137 8.716 -8.818 0.099 1.00 0.00 C ATOM 2064 O ASN A 137 7.920 -8.379 0.928 1.00 0.00 O ATOM 2065 CB ASN A 137 9.951 -11.040 -0.162 1.00 0.00 C ATOM 2066 CG ASN A 137 8.727 -11.860 -0.543 1.00 0.00 C ATOM 2067 OD1 ASN A 137 7.852 -11.444 -1.301 1.00 0.00 O ATOM 2068 ND2 ASN A 137 8.781 -13.173 -0.191 1.00 0.00 N ATOM 0 H ASN A 137 8.963 -10.626 2.210 1.00 0.00 H new ATOM 0 HA ASN A 137 10.759 -9.201 0.366 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.498 -10.838 -1.083 1.00 0.00 H new ATOM 0 HB3 ASN A 137 10.585 -11.681 0.451 1.00 0.00 H new ATOM 0 HD21 ASN A 137 8.090 -13.828 -0.557 1.00 0.00 H new ATOM 0 HD22 ASN A 137 9.513 -13.503 0.439 1.00 0.00 H new ATOM 2075 N TYR A 138 8.730 -8.560 -1.221 1.00 0.00 N ATOM 2076 CA TYR A 138 7.791 -7.670 -1.831 1.00 0.00 C ATOM 2077 C TYR A 138 6.383 -8.153 -1.771 1.00 0.00 C ATOM 2078 O TYR A 138 5.548 -7.369 -1.322 1.00 0.00 O ATOM 2079 CB TYR A 138 8.085 -7.234 -3.276 1.00 0.00 C ATOM 2080 CG TYR A 138 7.123 -6.259 -3.861 1.00 0.00 C ATOM 2081 CD1 TYR A 138 7.024 -4.941 -3.479 1.00 0.00 C ATOM 2082 CD2 TYR A 138 6.114 -6.917 -4.524 1.00 0.00 C ATOM 2083 CE1 TYR A 138 5.963 -4.210 -3.959 1.00 0.00 C ATOM 2084 CE2 TYR A 138 5.078 -6.145 -4.993 1.00 0.00 C ATOM 2085 CZ TYR A 138 4.988 -4.798 -4.730 1.00 0.00 C ATOM 2086 OH TYR A 138 4.005 -4.005 -5.358 1.00 0.00 O ATOM 0 H TYR A 138 9.399 -8.972 -1.872 1.00 0.00 H new ATOM 0 HA TYR A 138 7.921 -6.789 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 138 9.083 -6.797 -3.309 1.00 0.00 H new ATOM 0 HB3 TYR A 138 8.105 -8.122 -3.908 1.00 0.00 H new ATOM 0 HD1 TYR A 138 7.757 -4.495 -2.823 1.00 0.00 H new ATOM 0 HD2 TYR A 138 6.134 -7.987 -4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 138 5.894 -3.157 -3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.308 -6.612 -5.589 1.00 0.00 H new ATOM 0 HH TYR A 138 3.395 -4.581 -5.864 1.00 0.00 H new ATOM 2096 N GLU A 139 6.031 -9.407 -2.105 1.00 0.00 N ATOM 2097 CA GLU A 139 4.722 -9.957 -1.931 1.00 0.00 C ATOM 2098 C GLU A 139 4.429 -10.142 -0.482 1.00 0.00 C ATOM 2099 O GLU A 139 3.270 -10.045 -0.080 1.00 0.00 O ATOM 2100 CB GLU A 139 4.689 -11.270 -2.731 1.00 0.00 C ATOM 2101 CG GLU A 139 4.490 -10.980 -4.220 1.00 0.00 C ATOM 2102 CD GLU A 139 4.600 -12.289 -4.989 1.00 0.00 C ATOM 2103 OE1 GLU A 139 3.569 -12.992 -5.158 1.00 0.00 O ATOM 2104 OE2 GLU A 139 5.733 -12.635 -5.420 1.00 0.00 O ATOM 0 H GLU A 139 6.690 -10.069 -2.516 1.00 0.00 H new ATOM 0 HA GLU A 139 3.941 -9.292 -2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 139 5.619 -11.818 -2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.882 -11.906 -2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 139 3.515 -10.523 -4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 139 5.240 -10.271 -4.571 1.00 0.00 H new ATOM 2111 N GLU A 140 5.360 -10.400 0.453 1.00 0.00 N ATOM 2112 CA GLU A 140 5.061 -10.505 1.848 1.00 0.00 C ATOM 2113 C GLU A 140 4.780 -9.131 2.351 1.00 0.00 C ATOM 2114 O GLU A 140 3.853 -8.999 3.149 1.00 0.00 O ATOM 2115 CB GLU A 140 6.138 -11.210 2.690 1.00 0.00 C ATOM 2116 CG GLU A 140 6.365 -12.657 2.248 1.00 0.00 C ATOM 2117 CD GLU A 140 7.511 -13.233 3.067 1.00 0.00 C ATOM 2118 OE1 GLU A 140 8.438 -12.466 3.441 1.00 0.00 O ATOM 2119 OE2 GLU A 140 7.714 -14.463 3.252 1.00 0.00 O ATOM 0 H GLU A 140 6.346 -10.539 0.234 1.00 0.00 H new ATOM 0 HA GLU A 140 4.192 -11.153 1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.075 -10.658 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 140 5.843 -11.195 3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.460 -13.246 2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.601 -12.697 1.185 1.00 0.00 H new ATOM 2126 N PHE A 141 5.494 -8.041 2.017 1.00 0.00 N ATOM 2127 CA PHE A 141 5.414 -6.648 2.331 1.00 0.00 C ATOM 2128 C PHE A 141 4.060 -6.173 1.932 1.00 0.00 C ATOM 2129 O PHE A 141 3.281 -5.630 2.714 1.00 0.00 O ATOM 2130 CB PHE A 141 6.559 -5.825 1.718 1.00 0.00 C ATOM 2131 CG PHE A 141 6.544 -4.348 1.915 1.00 0.00 C ATOM 2132 CD1 PHE A 141 7.052 -3.829 3.082 1.00 0.00 C ATOM 2133 CD2 PHE A 141 6.043 -3.487 0.967 1.00 0.00 C ATOM 2134 CE1 PHE A 141 6.954 -2.474 3.294 1.00 0.00 C ATOM 2135 CE2 PHE A 141 5.985 -2.129 1.171 1.00 0.00 C ATOM 2136 CZ PHE A 141 6.450 -1.606 2.354 1.00 0.00 C ATOM 0 H PHE A 141 6.291 -8.180 1.396 1.00 0.00 H new ATOM 0 HA PHE A 141 5.545 -6.503 3.403 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.497 -6.206 2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.572 -6.018 0.645 1.00 0.00 H new ATOM 0 HD1 PHE A 141 7.517 -4.471 3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 141 5.684 -3.891 0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 141 7.287 -2.074 4.240 1.00 0.00 H new ATOM 0 HE2 PHE A 141 5.578 -1.480 0.410 1.00 0.00 H new ATOM 0 HZ PHE A 141 6.420 -0.543 2.540 1.00 0.00 H new ATOM 2146 N VAL A 142 3.608 -6.447 0.695 1.00 0.00 N ATOM 2147 CA VAL A 142 2.320 -6.027 0.239 1.00 0.00 C ATOM 2148 C VAL A 142 1.103 -6.629 0.853 1.00 0.00 C ATOM 2149 O VAL A 142 0.144 -5.939 1.194 1.00 0.00 O ATOM 2150 CB VAL A 142 2.017 -5.823 -1.216 1.00 0.00 C ATOM 2151 CG1 VAL A 142 2.756 -4.548 -1.659 1.00 0.00 C ATOM 2152 CG2 VAL A 142 2.350 -6.982 -2.171 1.00 0.00 C ATOM 0 H VAL A 142 4.145 -6.968 0.001 1.00 0.00 H new ATOM 0 HA VAL A 142 2.526 -5.042 0.658 1.00 0.00 H new ATOM 0 HB VAL A 142 0.932 -5.749 -1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 142 2.561 -4.363 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.404 -3.700 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 142 3.827 -4.676 -1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.082 -6.703 -3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.417 -7.198 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.787 -7.868 -1.878 1.00 0.00 H new ATOM 2162 N GLN A 143 1.282 -7.912 1.215 1.00 0.00 N ATOM 2163 CA GLN A 143 0.486 -8.536 2.226 1.00 0.00 C ATOM 2164 C GLN A 143 0.464 -8.113 3.655 1.00 0.00 C ATOM 2165 O GLN A 143 -0.594 -8.085 4.282 1.00 0.00 O ATOM 2166 CB GLN A 143 0.531 -10.064 2.059 1.00 0.00 C ATOM 2167 CG GLN A 143 -0.618 -10.891 2.641 1.00 0.00 C ATOM 2168 CD GLN A 143 -0.398 -12.393 2.531 1.00 0.00 C ATOM 2169 OE1 GLN A 143 0.070 -13.012 3.485 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -1.002 -13.030 1.492 1.00 0.00 N ATOM 0 H GLN A 143 1.986 -8.523 0.802 1.00 0.00 H new ATOM 0 HA GLN A 143 -0.473 -8.077 1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 143 0.590 -10.280 0.992 1.00 0.00 H new ATOM 0 HB3 GLN A 143 1.458 -10.421 2.508 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -0.751 -10.627 3.690 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -1.542 -10.628 2.126 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -1.381 -12.490 0.714 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -1.076 -14.047 1.491 1.00 0.00 H new ATOM 2179 N MET A 144 1.671 -7.837 4.181 1.00 0.00 N ATOM 2180 CA MET A 144 1.860 -7.271 5.480 1.00 0.00 C ATOM 2181 C MET A 144 1.286 -5.908 5.664 1.00 0.00 C ATOM 2182 O MET A 144 0.527 -5.683 6.605 1.00 0.00 O ATOM 2183 CB MET A 144 3.372 -7.311 5.756 1.00 0.00 C ATOM 2184 CG MET A 144 3.848 -6.869 7.141 1.00 0.00 C ATOM 2185 SD MET A 144 5.632 -6.925 7.491 1.00 0.00 S ATOM 2186 CE MET A 144 6.054 -5.587 6.338 1.00 0.00 C ATOM 0 H MET A 144 2.545 -8.014 3.685 1.00 0.00 H new ATOM 0 HA MET A 144 1.301 -7.862 6.206 1.00 0.00 H new ATOM 0 HB2 MET A 144 3.717 -8.332 5.591 1.00 0.00 H new ATOM 0 HB3 MET A 144 3.866 -6.684 5.014 1.00 0.00 H new ATOM 0 HG2 MET A 144 3.509 -5.845 7.299 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.343 -7.490 7.881 1.00 0.00 H new ATOM 0 HE1 MET A 144 6.965 -5.091 6.674 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.212 -6.001 5.342 1.00 0.00 H new ATOM 0 HE3 MET A 144 5.238 -4.865 6.305 1.00 0.00 H new ATOM 2196 N MET A 145 1.567 -4.978 4.733 1.00 0.00 N ATOM 2197 CA MET A 145 1.061 -3.654 4.924 1.00 0.00 C ATOM 2198 C MET A 145 -0.421 -3.525 4.838 1.00 0.00 C ATOM 2199 O MET A 145 -0.931 -2.577 5.433 1.00 0.00 O ATOM 2200 CB MET A 145 1.780 -2.806 3.862 1.00 0.00 C ATOM 2201 CG MET A 145 3.245 -2.551 4.222 1.00 0.00 C ATOM 2202 SD MET A 145 3.540 -1.121 5.306 1.00 0.00 S ATOM 2203 CE MET A 145 3.707 -2.006 6.883 1.00 0.00 C ATOM 0 H MET A 145 2.117 -5.129 3.887 1.00 0.00 H new ATOM 0 HA MET A 145 1.261 -3.322 5.943 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.727 -3.312 2.898 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.264 -1.853 3.750 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.643 -3.442 4.707 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.810 -2.410 3.300 1.00 0.00 H new ATOM 0 HE1 MET A 145 3.134 -1.489 7.653 1.00 0.00 H new ATOM 0 HE2 MET A 145 3.330 -3.023 6.771 1.00 0.00 H new ATOM 0 HE3 MET A 145 4.757 -2.039 7.173 1.00 0.00 H new