USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 781 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 37 TYR OH : rot 87:sc= 0.129 USER MOD Set 1.2: A 41 ASN : amide:sc= -1.51 K(o=-1.4,f=-0.13) USER MOD Set 2.1: A 33 TYR OH : rot 30:sc= 0.0509 USER MOD Set 2.2: A 82 LYS NZ :NH3+ 175:sc= 0.083 (180deg=0.0392) USER MOD Set 3.1: A 31 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.196) USER MOD Set 3.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 8 THR OG1 : rot 106:sc= 0.795 USER MOD Set 4.2: A 78 THR OG1 : rot 118:sc= -0.397 USER MOD Single : A 5 SER OG : rot -28:sc= 0.195 USER MOD Single : A 11 TYR OH : rot 130:sc= -0.697 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.435 K(o=-0.43,f=-4.4!) USER MOD Single : A 30 GLN : amide:sc= -4.33! C(o=-4.3!,f=-6.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.772 K(o=-0.77,f=-0.14) USER MOD Single : A 48 HIS : no HD1:sc= -7.44! C(o=-7.4!,f=-9.4!) USER MOD Single : A 60 ASN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -116:sc= -0.93 (180deg=-2.9!) USER MOD Single : A 75 ASN : amide:sc= -0.984 K(o=-0.98,f=-4.4!) USER MOD Single : A 84 MET CE :methyl 143:sc= -5.7! (180deg=-9.67!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.947 X(o=-0.95,f=-0.79) USER MOD Single : A 91 TYR OH : rot -35:sc= 0.384 USER MOD Single : A 93 GLN : amide:sc= -0.125 K(o=-0.13,f=-0.94) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -3:sc= 0.632 USER MOD Single : A 104 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.54) USER MOD Single : A 105 LYS NZ :NH3+ 174:sc= -11! (180deg=-11.8!) USER MOD Single : A 106 ASN : amide:sc= -0.808 K(o=-0.81,f=-5.2!) USER MOD Single : A 113 ASN : amide:sc= -0.0338 X(o=-0.034,f=0) USER MOD Single : A 114 ASN : amide:sc= -0.0158 K(o=-0.016,f=-1.3!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N SER A 5 9.572 -4.358 16.690 1.00 0.00 N ATOM 60 CA SER A 5 8.599 -5.027 15.826 1.00 0.00 C ATOM 61 C SER A 5 7.892 -4.025 14.915 1.00 0.00 C ATOM 62 O SER A 5 6.836 -3.496 15.262 1.00 0.00 O ATOM 63 CB SER A 5 7.567 -5.790 16.664 1.00 0.00 C ATOM 64 OG SER A 5 7.048 -4.982 17.708 1.00 0.00 O ATOM 0 HA SER A 5 9.142 -5.737 15.202 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.752 -6.126 16.023 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.028 -6.682 17.087 1.00 0.00 H new ATOM 0 HG SER A 5 7.714 -4.311 17.964 1.00 0.00 H new ATOM 70 N ARG A 6 8.476 -3.779 13.742 1.00 0.00 N ATOM 71 CA ARG A 6 7.889 -2.852 12.770 1.00 0.00 C ATOM 72 C ARG A 6 6.662 -3.491 12.108 1.00 0.00 C ATOM 73 O ARG A 6 6.076 -4.411 12.679 1.00 0.00 O ATOM 74 CB ARG A 6 8.928 -2.417 11.728 1.00 0.00 C ATOM 75 CG ARG A 6 9.813 -3.533 11.197 1.00 0.00 C ATOM 76 CD ARG A 6 9.032 -4.562 10.386 1.00 0.00 C ATOM 77 NE ARG A 6 8.561 -5.680 11.208 1.00 0.00 N ATOM 78 CZ ARG A 6 8.367 -6.923 10.755 1.00 0.00 C ATOM 79 NH1 ARG A 6 8.622 -7.233 9.487 1.00 0.00 N ATOM 80 NH2 ARG A 6 7.916 -7.862 11.580 1.00 0.00 N ATOM 0 H ARG A 6 9.352 -4.206 13.441 1.00 0.00 H new ATOM 0 HA ARG A 6 7.563 -1.954 13.295 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.407 -1.956 10.889 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.563 -1.649 12.169 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.598 -3.104 10.574 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.305 -4.031 12.033 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.178 -4.076 9.914 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.664 -4.945 9.585 1.00 0.00 H new ATOM 0 HE ARG A 6 8.368 -5.498 12.193 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.970 -6.519 8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.470 -8.185 9.154 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.719 -7.633 12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.766 -8.812 11.239 1.00 0.00 H new ATOM 94 N ILE A 7 6.243 -3.011 10.926 1.00 0.00 N ATOM 95 CA ILE A 7 5.059 -3.584 10.287 1.00 0.00 C ATOM 96 C ILE A 7 5.108 -3.614 8.755 1.00 0.00 C ATOM 97 O ILE A 7 6.038 -3.113 8.133 1.00 0.00 O ATOM 98 CB ILE A 7 3.776 -2.841 10.719 1.00 0.00 C ATOM 99 CG1 ILE A 7 3.609 -1.521 9.953 1.00 0.00 C ATOM 100 CG2 ILE A 7 3.766 -2.593 12.221 1.00 0.00 C ATOM 101 CD1 ILE A 7 2.301 -1.426 9.187 1.00 0.00 C ATOM 0 H ILE A 7 6.692 -2.253 10.412 1.00 0.00 H new ATOM 0 HA ILE A 7 5.046 -4.619 10.630 1.00 0.00 H new ATOM 0 HB ILE A 7 2.929 -3.482 10.473 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.669 -0.691 10.657 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.439 -1.408 9.255 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.851 -2.068 12.497 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.811 -3.546 12.747 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.629 -1.986 12.495 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.251 -0.468 8.670 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.247 -2.235 8.458 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.465 -1.507 9.882 1.00 0.00 H new ATOM 113 N THR A 8 4.053 -4.204 8.176 1.00 0.00 N ATOM 114 CA THR A 8 3.879 -4.317 6.725 1.00 0.00 C ATOM 115 C THR A 8 2.698 -3.435 6.310 1.00 0.00 C ATOM 116 O THR A 8 1.762 -3.266 7.096 1.00 0.00 O ATOM 117 CB THR A 8 3.622 -5.788 6.345 1.00 0.00 C ATOM 118 OG1 THR A 8 4.833 -6.521 6.371 1.00 0.00 O ATOM 119 CG2 THR A 8 3.012 -5.981 4.968 1.00 0.00 C ATOM 0 H THR A 8 3.290 -4.620 8.709 1.00 0.00 H new ATOM 0 HA THR A 8 4.779 -3.986 6.206 1.00 0.00 H new ATOM 0 HB THR A 8 2.906 -6.145 7.085 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.849 -7.099 7.162 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.864 -7.045 4.781 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.052 -5.468 4.920 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.681 -5.569 4.213 1.00 0.00 H new ATOM 127 N ALA A 9 2.724 -2.856 5.102 1.00 0.00 N ATOM 128 CA ALA A 9 1.622 -1.991 4.689 1.00 0.00 C ATOM 129 C ALA A 9 0.761 -2.598 3.597 1.00 0.00 C ATOM 130 O ALA A 9 1.221 -2.864 2.489 1.00 0.00 O ATOM 131 CB ALA A 9 2.119 -0.624 4.254 1.00 0.00 C ATOM 0 H ALA A 9 3.471 -2.968 4.417 1.00 0.00 H new ATOM 0 HA ALA A 9 0.994 -1.879 5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.272 -0.007 3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.640 -0.145 5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.803 -0.736 3.412 1.00 0.00 H new ATOM 137 N LEU A 10 -0.507 -2.779 3.932 1.00 0.00 N ATOM 138 CA LEU A 10 -1.499 -3.314 3.017 1.00 0.00 C ATOM 139 C LEU A 10 -2.526 -2.224 2.735 1.00 0.00 C ATOM 140 O LEU A 10 -3.376 -1.945 3.577 1.00 0.00 O ATOM 141 CB LEU A 10 -2.160 -4.531 3.663 1.00 0.00 C ATOM 142 CG LEU A 10 -2.840 -5.507 2.716 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.471 -6.938 3.080 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.339 -5.312 2.777 1.00 0.00 C ATOM 0 H LEU A 10 -0.878 -2.556 4.856 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.041 -3.625 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.402 -5.073 4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.900 -4.178 4.381 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.500 -5.316 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.965 -7.627 2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.391 -7.065 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.793 -7.149 4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.825 -6.012 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.688 -5.491 3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.585 -4.292 2.483 1.00 0.00 H new ATOM 156 N TYR A 11 -2.433 -1.586 1.567 1.00 0.00 N ATOM 157 CA TYR A 11 -3.355 -0.501 1.228 1.00 0.00 C ATOM 158 C TYR A 11 -4.199 -0.842 -0.003 1.00 0.00 C ATOM 159 O TYR A 11 -3.666 -1.291 -1.020 1.00 0.00 O ATOM 160 CB TYR A 11 -2.579 0.814 1.029 1.00 0.00 C ATOM 161 CG TYR A 11 -3.214 1.760 0.032 1.00 0.00 C ATOM 162 CD1 TYR A 11 -4.443 2.349 0.300 1.00 0.00 C ATOM 163 CD2 TYR A 11 -2.594 2.057 -1.174 1.00 0.00 C ATOM 164 CE1 TYR A 11 -5.037 3.204 -0.605 1.00 0.00 C ATOM 165 CE2 TYR A 11 -3.181 2.915 -2.083 1.00 0.00 C ATOM 166 CZ TYR A 11 -4.403 3.485 -1.793 1.00 0.00 C ATOM 167 OH TYR A 11 -4.998 4.332 -2.700 1.00 0.00 O ATOM 0 H TYR A 11 -1.740 -1.797 0.849 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.046 -0.370 2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.491 1.321 1.990 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.567 0.580 0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.942 2.134 1.233 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.638 1.610 -1.405 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -5.995 3.650 -0.382 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.686 3.139 -3.016 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.355 5.017 -2.979 1.00 0.00 H new ATOM 177 N GLU A 12 -5.526 -0.633 0.093 1.00 0.00 N ATOM 178 CA GLU A 12 -6.417 -0.937 -1.031 1.00 0.00 C ATOM 179 C GLU A 12 -7.635 -0.014 -1.098 1.00 0.00 C ATOM 180 O GLU A 12 -8.191 0.376 -0.072 1.00 0.00 O ATOM 181 CB GLU A 12 -6.884 -2.389 -0.957 1.00 0.00 C ATOM 182 CG GLU A 12 -6.875 -3.104 -2.298 1.00 0.00 C ATOM 183 CD GLU A 12 -5.676 -2.733 -3.148 1.00 0.00 C ATOM 184 OE1 GLU A 12 -4.623 -3.380 -2.997 1.00 0.00 O ATOM 185 OE2 GLU A 12 -5.789 -1.788 -3.957 1.00 0.00 O ATOM 0 H GLU A 12 -5.992 -0.263 0.921 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.836 -0.772 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.244 -2.932 -0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.894 -2.416 -0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.878 -4.181 -2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.789 -2.863 -2.841 1.00 0.00 H new ATOM 192 N ARG A 13 -8.055 0.301 -2.330 1.00 0.00 N ATOM 193 CA ARG A 13 -9.217 1.156 -2.570 1.00 0.00 C ATOM 194 C ARG A 13 -10.149 0.521 -3.606 1.00 0.00 C ATOM 195 O ARG A 13 -9.751 0.281 -4.746 1.00 0.00 O ATOM 196 CB ARG A 13 -8.779 2.559 -3.028 1.00 0.00 C ATOM 197 CG ARG A 13 -9.899 3.383 -3.646 1.00 0.00 C ATOM 198 CD ARG A 13 -9.830 3.372 -5.165 1.00 0.00 C ATOM 199 NE ARG A 13 -9.158 4.561 -5.689 1.00 0.00 N ATOM 200 CZ ARG A 13 -8.030 4.541 -6.405 1.00 0.00 C ATOM 201 NH1 ARG A 13 -7.437 3.393 -6.715 1.00 0.00 N ATOM 202 NH2 ARG A 13 -7.492 5.682 -6.817 1.00 0.00 N ATOM 0 H ARG A 13 -7.600 -0.029 -3.181 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.762 1.258 -1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.373 3.099 -2.173 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.972 2.458 -3.754 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.862 2.989 -3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.837 4.410 -3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.300 2.479 -5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.839 3.315 -5.574 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.580 5.469 -5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.843 2.510 -6.406 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.576 3.395 -7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.939 6.569 -6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.631 5.672 -7.364 1.00 0.00 H new ATOM 397 N ILE A 27 -14.155 -3.950 -0.863 1.00 0.00 N ATOM 398 CA ILE A 27 -13.356 -3.467 0.264 1.00 0.00 C ATOM 399 C ILE A 27 -12.765 -4.648 1.049 1.00 0.00 C ATOM 400 O ILE A 27 -11.596 -4.985 0.871 1.00 0.00 O ATOM 401 CB ILE A 27 -14.162 -2.540 1.203 1.00 0.00 C ATOM 402 CG1 ILE A 27 -14.320 -1.143 0.579 1.00 0.00 C ATOM 403 CG2 ILE A 27 -13.501 -2.435 2.573 1.00 0.00 C ATOM 404 CD1 ILE A 27 -13.008 -0.422 0.312 1.00 0.00 C ATOM 0 HA ILE A 27 -12.542 -2.872 -0.151 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.151 -2.978 1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -14.866 -1.237 -0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.929 -0.529 1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -14.090 -1.777 3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -13.444 -3.425 3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.496 -2.028 2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.212 0.554 -0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.467 -0.292 1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -12.403 -1.011 -0.377 1.00 0.00 H new ATOM 416 N THR A 28 -13.581 -5.287 1.895 1.00 0.00 N ATOM 417 CA THR A 28 -13.134 -6.442 2.677 1.00 0.00 C ATOM 418 C THR A 28 -12.549 -7.522 1.761 1.00 0.00 C ATOM 419 O THR A 28 -11.604 -8.217 2.140 1.00 0.00 O ATOM 420 CB THR A 28 -14.295 -7.003 3.515 1.00 0.00 C ATOM 421 OG1 THR A 28 -13.925 -7.104 4.877 1.00 0.00 O ATOM 422 CG2 THR A 28 -14.767 -8.371 3.078 1.00 0.00 C ATOM 0 H THR A 28 -14.553 -5.023 2.055 1.00 0.00 H new ATOM 0 HA THR A 28 -12.347 -6.116 3.357 1.00 0.00 H new ATOM 0 HB THR A 28 -15.110 -6.295 3.366 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.677 -7.461 5.395 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.587 -8.695 3.719 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.111 -8.324 2.045 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.944 -9.082 3.155 1.00 0.00 H new ATOM 430 N ASN A 29 -13.109 -7.658 0.553 1.00 0.00 N ATOM 431 CA ASN A 29 -12.628 -8.652 -0.396 1.00 0.00 C ATOM 432 C ASN A 29 -11.210 -8.321 -0.863 1.00 0.00 C ATOM 433 O ASN A 29 -10.329 -9.178 -0.782 1.00 0.00 O ATOM 434 CB ASN A 29 -13.581 -8.793 -1.587 1.00 0.00 C ATOM 435 CG ASN A 29 -14.906 -9.423 -1.196 1.00 0.00 C ATOM 436 OD1 ASN A 29 -15.484 -9.092 -0.162 1.00 0.00 O ATOM 437 ND2 ASN A 29 -15.399 -10.335 -2.026 1.00 0.00 N ATOM 0 H ASN A 29 -13.890 -7.094 0.217 1.00 0.00 H new ATOM 0 HA ASN A 29 -12.598 -9.613 0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.763 -7.810 -2.021 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.107 -9.400 -2.359 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.288 -10.789 -1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -14.889 -10.582 -2.874 1.00 0.00 H new ATOM 444 N GLN A 30 -10.967 -7.079 -1.330 1.00 0.00 N ATOM 445 CA GLN A 30 -9.606 -6.718 -1.761 1.00 0.00 C ATOM 446 C GLN A 30 -8.638 -6.836 -0.583 1.00 0.00 C ATOM 447 O GLN A 30 -7.462 -7.151 -0.774 1.00 0.00 O ATOM 448 CB GLN A 30 -9.473 -5.316 -2.398 1.00 0.00 C ATOM 449 CG GLN A 30 -10.728 -4.460 -2.457 1.00 0.00 C ATOM 450 CD GLN A 30 -10.494 -3.084 -1.880 1.00 0.00 C ATOM 451 OE1 GLN A 30 -10.203 -2.135 -2.602 1.00 0.00 O ATOM 452 NE2 GLN A 30 -10.600 -2.979 -0.567 1.00 0.00 N ATOM 0 H GLN A 30 -11.664 -6.339 -1.416 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.357 -7.427 -2.550 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.713 -4.764 -1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.100 -5.440 -3.415 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.058 -4.369 -3.492 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.531 -4.953 -1.908 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.844 -3.796 -0.008 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.437 -2.080 -0.112 1.00 0.00 H new ATOM 461 N LYS A 31 -9.142 -6.616 0.642 1.00 0.00 N ATOM 462 CA LYS A 31 -8.318 -6.745 1.840 1.00 0.00 C ATOM 463 C LYS A 31 -7.737 -8.153 1.883 1.00 0.00 C ATOM 464 O LYS A 31 -6.522 -8.337 1.969 1.00 0.00 O ATOM 465 CB LYS A 31 -9.145 -6.483 3.102 1.00 0.00 C ATOM 466 CG LYS A 31 -9.831 -5.128 3.126 1.00 0.00 C ATOM 467 CD LYS A 31 -9.697 -4.473 4.486 1.00 0.00 C ATOM 468 CE LYS A 31 -11.039 -4.314 5.176 1.00 0.00 C ATOM 469 NZ LYS A 31 -11.426 -2.885 5.322 1.00 0.00 N ATOM 0 H LYS A 31 -10.110 -6.350 0.822 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.516 -6.008 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.901 -7.262 3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.494 -6.564 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.395 -4.483 2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.886 -5.246 2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.036 -5.071 5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.230 -3.495 4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.804 -4.840 4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.998 -4.781 6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.433 -2.822 5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.853 -2.445 6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.263 -2.388 4.423 1.00 0.00 H new ATOM 483 N LYS A 32 -8.629 -9.141 1.785 1.00 0.00 N ATOM 484 CA LYS A 32 -8.238 -10.547 1.775 1.00 0.00 C ATOM 485 C LYS A 32 -7.322 -10.856 0.585 1.00 0.00 C ATOM 486 O LYS A 32 -6.474 -11.743 0.671 1.00 0.00 O ATOM 487 CB LYS A 32 -9.474 -11.441 1.742 1.00 0.00 C ATOM 488 CG LYS A 32 -9.920 -11.878 3.126 1.00 0.00 C ATOM 489 CD LYS A 32 -11.249 -11.250 3.515 1.00 0.00 C ATOM 490 CE LYS A 32 -11.047 -9.991 4.345 1.00 0.00 C ATOM 491 NZ LYS A 32 -10.711 -10.302 5.763 1.00 0.00 N ATOM 0 H LYS A 32 -9.635 -8.988 1.711 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.682 -10.751 2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.290 -10.908 1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.263 -12.323 1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.009 -12.964 3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.160 -11.602 3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.816 -11.008 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.841 -11.969 4.081 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.248 -9.393 3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.953 -9.386 4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.582 -9.416 6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.484 -10.851 6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.832 -10.857 5.798 1.00 0.00 H new ATOM 505 N TYR A 33 -7.483 -10.107 -0.518 1.00 0.00 N ATOM 506 CA TYR A 33 -6.644 -10.300 -1.704 1.00 0.00 C ATOM 507 C TYR A 33 -5.181 -10.082 -1.344 1.00 0.00 C ATOM 508 O TYR A 33 -4.358 -11.002 -1.435 1.00 0.00 O ATOM 509 CB TYR A 33 -7.036 -9.333 -2.829 1.00 0.00 C ATOM 510 CG TYR A 33 -6.298 -9.610 -4.120 1.00 0.00 C ATOM 511 CD1 TYR A 33 -6.707 -10.632 -4.966 1.00 0.00 C ATOM 512 CD2 TYR A 33 -5.170 -8.875 -4.476 1.00 0.00 C ATOM 513 CE1 TYR A 33 -6.021 -10.908 -6.132 1.00 0.00 C ATOM 514 CE2 TYR A 33 -4.480 -9.151 -5.632 1.00 0.00 C ATOM 515 CZ TYR A 33 -4.907 -10.166 -6.461 1.00 0.00 C ATOM 516 OH TYR A 33 -4.217 -10.440 -7.619 1.00 0.00 O ATOM 0 H TYR A 33 -8.181 -9.369 -0.610 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.794 -11.320 -2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.109 -9.404 -3.006 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.832 -8.310 -2.511 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.575 -11.220 -4.708 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.832 -8.075 -3.833 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.356 -11.702 -6.783 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.605 -8.574 -5.890 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.835 -10.796 -8.291 1.00 0.00 H new ATOM 526 N LEU A 34 -4.869 -8.861 -0.903 1.00 0.00 N ATOM 527 CA LEU A 34 -3.516 -8.526 -0.496 1.00 0.00 C ATOM 528 C LEU A 34 -3.065 -9.523 0.562 1.00 0.00 C ATOM 529 O LEU A 34 -1.919 -9.960 0.568 1.00 0.00 O ATOM 530 CB LEU A 34 -3.457 -7.108 0.077 1.00 0.00 C ATOM 531 CG LEU A 34 -3.722 -5.953 -0.900 1.00 0.00 C ATOM 532 CD1 LEU A 34 -4.216 -6.455 -2.245 1.00 0.00 C ATOM 533 CD2 LEU A 34 -4.723 -4.986 -0.296 1.00 0.00 C ATOM 0 H LEU A 34 -5.537 -8.095 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.859 -8.571 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.182 -7.039 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.471 -6.961 0.517 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.778 -5.436 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.392 -5.607 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.466 -7.111 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.146 -7.007 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.907 -4.169 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.658 -5.509 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.324 -4.584 0.636 1.00 0.00 H new ATOM 545 N GLU A 35 -4.004 -9.900 1.440 1.00 0.00 N ATOM 546 CA GLU A 35 -3.733 -10.876 2.484 1.00 0.00 C ATOM 547 C GLU A 35 -3.135 -12.130 1.856 1.00 0.00 C ATOM 548 O GLU A 35 -2.038 -12.553 2.213 1.00 0.00 O ATOM 549 CB GLU A 35 -5.023 -11.231 3.230 1.00 0.00 C ATOM 550 CG GLU A 35 -5.002 -10.874 4.704 1.00 0.00 C ATOM 551 CD GLU A 35 -6.226 -11.376 5.443 1.00 0.00 C ATOM 552 OE1 GLU A 35 -7.335 -10.873 5.168 1.00 0.00 O ATOM 553 OE2 GLU A 35 -6.076 -12.275 6.297 1.00 0.00 O ATOM 0 H GLU A 35 -4.958 -9.538 1.441 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.027 -10.451 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.859 -10.718 2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.207 -12.301 3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.107 -11.294 5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.936 -9.791 4.811 1.00 0.00 H new ATOM 560 N ASP A 36 -3.867 -12.686 0.882 1.00 0.00 N ATOM 561 CA ASP A 36 -3.441 -13.871 0.138 1.00 0.00 C ATOM 562 C ASP A 36 -2.011 -13.701 -0.379 1.00 0.00 C ATOM 563 O ASP A 36 -1.241 -14.664 -0.443 1.00 0.00 O ATOM 564 CB ASP A 36 -4.403 -14.102 -1.033 1.00 0.00 C ATOM 565 CG ASP A 36 -4.726 -15.567 -1.269 1.00 0.00 C ATOM 566 OD1 ASP A 36 -3.845 -16.422 -1.041 1.00 0.00 O ATOM 567 OD2 ASP A 36 -5.866 -15.858 -1.686 1.00 0.00 O ATOM 0 H ASP A 36 -4.774 -12.323 0.589 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.459 -14.735 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.329 -13.559 -0.845 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.967 -13.683 -1.940 1.00 0.00 H new ATOM 572 N TYR A 37 -1.664 -12.460 -0.727 1.00 0.00 N ATOM 573 CA TYR A 37 -0.331 -12.134 -1.223 1.00 0.00 C ATOM 574 C TYR A 37 0.674 -12.097 -0.075 1.00 0.00 C ATOM 575 O TYR A 37 1.631 -12.867 -0.053 1.00 0.00 O ATOM 576 CB TYR A 37 -0.351 -10.781 -1.942 1.00 0.00 C ATOM 577 CG TYR A 37 1.025 -10.226 -2.235 1.00 0.00 C ATOM 578 CD1 TYR A 37 1.739 -9.557 -1.256 1.00 0.00 C ATOM 579 CD2 TYR A 37 1.611 -10.387 -3.480 1.00 0.00 C ATOM 580 CE1 TYR A 37 3.000 -9.061 -1.506 1.00 0.00 C ATOM 581 CE2 TYR A 37 2.873 -9.890 -3.742 1.00 0.00 C ATOM 582 CZ TYR A 37 3.563 -9.228 -2.751 1.00 0.00 C ATOM 583 OH TYR A 37 4.821 -8.736 -3.004 1.00 0.00 O ATOM 0 H TYR A 37 -2.295 -11.661 -0.673 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.028 -12.908 -1.928 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.897 -10.886 -2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.900 -10.064 -1.332 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.300 -9.421 -0.279 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.073 -10.909 -4.258 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.544 -8.544 -0.729 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.316 -10.020 -4.718 1.00 0.00 H new ATOM 0 HH TYR A 37 5.491 -9.402 -2.744 1.00 0.00 H new ATOM 593 N ALA A 38 0.454 -11.184 0.869 1.00 0.00 N ATOM 594 CA ALA A 38 1.335 -11.031 2.019 1.00 0.00 C ATOM 595 C ALA A 38 1.674 -12.376 2.663 1.00 0.00 C ATOM 596 O ALA A 38 2.779 -12.553 3.171 1.00 0.00 O ATOM 597 CB ALA A 38 0.704 -10.102 3.039 1.00 0.00 C ATOM 0 H ALA A 38 -0.334 -10.536 0.857 1.00 0.00 H new ATOM 0 HA ALA A 38 2.269 -10.596 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.371 -9.994 3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.535 -9.125 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.247 -10.518 3.370 1.00 0.00 H new ATOM 603 N ARG A 39 0.732 -13.328 2.633 1.00 0.00 N ATOM 604 CA ARG A 39 0.984 -14.652 3.214 1.00 0.00 C ATOM 605 C ARG A 39 1.823 -15.500 2.267 1.00 0.00 C ATOM 606 O ARG A 39 2.834 -16.071 2.678 1.00 0.00 O ATOM 607 CB ARG A 39 -0.312 -15.380 3.584 1.00 0.00 C ATOM 608 CG ARG A 39 -1.381 -15.357 2.513 1.00 0.00 C ATOM 609 CD ARG A 39 -2.741 -15.059 3.131 1.00 0.00 C ATOM 610 NE ARG A 39 -3.339 -16.237 3.759 1.00 0.00 N ATOM 611 CZ ARG A 39 -4.524 -16.234 4.376 1.00 0.00 C ATOM 612 NH1 ARG A 39 -5.253 -15.122 4.433 1.00 0.00 N ATOM 613 NH2 ARG A 39 -4.984 -17.349 4.934 1.00 0.00 N ATOM 0 H ARG A 39 -0.194 -13.210 2.221 1.00 0.00 H new ATOM 0 HA ARG A 39 1.540 -14.497 4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.075 -16.418 3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.717 -14.932 4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.140 -14.601 1.765 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.410 -16.317 1.998 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.634 -14.269 3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.413 -14.682 2.360 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.820 -17.114 3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.908 -14.263 4.004 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.157 -15.128 4.906 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.432 -18.206 4.891 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.889 -17.348 5.405 1.00 0.00 H new ATOM 627 N ARG A 40 1.428 -15.550 0.989 1.00 0.00 N ATOM 628 CA ARG A 40 2.193 -16.302 -0.008 1.00 0.00 C ATOM 629 C ARG A 40 3.607 -15.721 -0.133 1.00 0.00 C ATOM 630 O ARG A 40 4.519 -16.381 -0.634 1.00 0.00 O ATOM 631 CB ARG A 40 1.486 -16.281 -1.371 1.00 0.00 C ATOM 632 CG ARG A 40 1.352 -14.899 -1.976 1.00 0.00 C ATOM 633 CD ARG A 40 0.626 -14.934 -3.313 1.00 0.00 C ATOM 634 NE ARG A 40 1.148 -13.936 -4.250 1.00 0.00 N ATOM 635 CZ ARG A 40 0.424 -13.359 -5.216 1.00 0.00 C ATOM 636 NH1 ARG A 40 -0.857 -13.673 -5.385 1.00 0.00 N ATOM 637 NH2 ARG A 40 0.986 -12.464 -6.020 1.00 0.00 N ATOM 0 H ARG A 40 0.595 -15.086 0.626 1.00 0.00 H new ATOM 0 HA ARG A 40 2.263 -17.339 0.322 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.036 -16.918 -2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.492 -16.715 -1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.811 -14.251 -1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.342 -14.464 -2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.722 -15.927 -3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.438 -14.758 -3.152 1.00 0.00 H new ATOM 0 HE ARG A 40 2.127 -13.663 -4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.298 -14.361 -4.775 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.398 -13.226 -6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.968 -12.217 -5.901 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.435 -12.023 -6.757 1.00 0.00 H new ATOM 651 N ASN A 41 3.772 -14.477 0.337 1.00 0.00 N ATOM 652 CA ASN A 41 5.054 -13.787 0.297 1.00 0.00 C ATOM 653 C ASN A 41 5.811 -13.951 1.619 1.00 0.00 C ATOM 654 O ASN A 41 7.019 -14.193 1.622 1.00 0.00 O ATOM 655 CB ASN A 41 4.826 -12.304 -0.013 1.00 0.00 C ATOM 656 CG ASN A 41 4.970 -11.997 -1.491 1.00 0.00 C ATOM 657 OD1 ASN A 41 5.954 -11.393 -1.917 1.00 0.00 O ATOM 658 ND2 ASN A 41 3.985 -12.411 -2.281 1.00 0.00 N ATOM 0 H ASN A 41 3.019 -13.928 0.753 1.00 0.00 H new ATOM 0 HA ASN A 41 5.666 -14.230 -0.489 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.830 -12.014 0.321 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.539 -11.703 0.552 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.026 -12.231 -3.284 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.188 -12.908 -1.884 1.00 0.00 H new ATOM 665 N GLY A 42 5.089 -13.832 2.736 1.00 0.00 N ATOM 666 CA GLY A 42 5.699 -13.982 4.053 1.00 0.00 C ATOM 667 C GLY A 42 5.923 -12.658 4.773 1.00 0.00 C ATOM 668 O GLY A 42 7.029 -12.388 5.239 1.00 0.00 O ATOM 0 H GLY A 42 4.089 -13.634 2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.063 -14.618 4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.655 -14.495 3.946 1.00 0.00 H new ATOM 672 N PHE A 43 4.880 -11.829 4.855 1.00 0.00 N ATOM 673 CA PHE A 43 4.980 -10.523 5.513 1.00 0.00 C ATOM 674 C PHE A 43 4.221 -10.491 6.842 1.00 0.00 C ATOM 675 O PHE A 43 3.119 -11.026 6.951 1.00 0.00 O ATOM 676 CB PHE A 43 4.444 -9.433 4.582 1.00 0.00 C ATOM 677 CG PHE A 43 5.242 -9.284 3.321 1.00 0.00 C ATOM 678 CD1 PHE A 43 6.590 -8.972 3.360 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.641 -9.472 2.096 1.00 0.00 C ATOM 680 CE1 PHE A 43 7.319 -8.852 2.193 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.356 -9.353 0.929 1.00 0.00 C ATOM 682 CZ PHE A 43 6.700 -9.044 0.973 1.00 0.00 C ATOM 0 H PHE A 43 3.957 -12.038 4.475 1.00 0.00 H new ATOM 0 HA PHE A 43 6.032 -10.341 5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.410 -9.661 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.437 -8.482 5.114 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.077 -8.821 4.312 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.590 -9.717 2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.370 -8.609 2.234 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.866 -9.501 -0.022 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.266 -8.953 0.058 1.00 0.00 H new ATOM 692 N GLU A 44 4.830 -9.865 7.852 1.00 0.00 N ATOM 693 CA GLU A 44 4.240 -9.758 9.176 1.00 0.00 C ATOM 694 C GLU A 44 3.578 -8.413 9.404 1.00 0.00 C ATOM 695 O GLU A 44 3.728 -7.487 8.613 1.00 0.00 O ATOM 696 CB GLU A 44 5.321 -9.931 10.226 1.00 0.00 C ATOM 697 CG GLU A 44 5.631 -11.367 10.559 1.00 0.00 C ATOM 698 CD GLU A 44 5.513 -12.312 9.376 1.00 0.00 C ATOM 699 OE1 GLU A 44 4.403 -12.833 9.142 1.00 0.00 O ATOM 700 OE2 GLU A 44 6.531 -12.537 8.689 1.00 0.00 O ATOM 0 H GLU A 44 5.744 -9.421 7.769 1.00 0.00 H new ATOM 0 HA GLU A 44 3.481 -10.536 9.252 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.232 -9.445 9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.014 -9.416 11.136 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.643 -11.427 10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.956 -11.701 11.347 1.00 0.00 H new ATOM 707 N ASN A 45 2.874 -8.318 10.530 1.00 0.00 N ATOM 708 CA ASN A 45 2.203 -7.091 10.936 1.00 0.00 C ATOM 709 C ASN A 45 1.426 -6.448 9.785 1.00 0.00 C ATOM 710 O ASN A 45 1.307 -5.223 9.711 1.00 0.00 O ATOM 711 CB ASN A 45 3.241 -6.118 11.474 1.00 0.00 C ATOM 712 CG ASN A 45 3.833 -6.563 12.798 1.00 0.00 C ATOM 713 OD1 ASN A 45 3.147 -6.598 13.818 1.00 0.00 O ATOM 714 ND2 ASN A 45 5.115 -6.913 12.780 1.00 0.00 N ATOM 0 H ASN A 45 2.754 -9.091 11.185 1.00 0.00 H new ATOM 0 HA ASN A 45 1.477 -7.339 11.710 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.041 -6.006 10.743 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.783 -5.137 11.597 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.570 -7.227 13.637 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.644 -6.867 11.909 1.00 0.00 H new ATOM 721 N ILE A 46 0.910 -7.286 8.891 1.00 0.00 N ATOM 722 CA ILE A 46 0.152 -6.834 7.740 1.00 0.00 C ATOM 723 C ILE A 46 -1.036 -5.982 8.151 1.00 0.00 C ATOM 724 O ILE A 46 -2.112 -6.490 8.476 1.00 0.00 O ATOM 725 CB ILE A 46 -0.337 -8.029 6.911 1.00 0.00 C ATOM 726 CG1 ILE A 46 0.854 -8.851 6.432 1.00 0.00 C ATOM 727 CG2 ILE A 46 -1.178 -7.562 5.735 1.00 0.00 C ATOM 728 CD1 ILE A 46 0.495 -10.282 6.097 1.00 0.00 C ATOM 0 H ILE A 46 1.009 -8.300 8.949 1.00 0.00 H new ATOM 0 HA ILE A 46 0.821 -6.222 7.134 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.966 -8.658 7.541 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.284 -8.375 5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.624 -8.848 7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.514 -8.426 5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.044 -7.012 6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.580 -6.912 5.096 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.387 -10.812 5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.092 -10.773 6.983 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.253 -10.293 5.304 1.00 0.00 H new ATOM 740 N ARG A 47 -0.822 -4.679 8.121 1.00 0.00 N ATOM 741 CA ARG A 47 -1.862 -3.720 8.474 1.00 0.00 C ATOM 742 C ARG A 47 -2.694 -3.366 7.255 1.00 0.00 C ATOM 743 O ARG A 47 -2.156 -3.047 6.195 1.00 0.00 O ATOM 744 CB ARG A 47 -1.266 -2.467 9.102 1.00 0.00 C ATOM 745 CG ARG A 47 -2.071 -1.972 10.288 1.00 0.00 C ATOM 746 CD ARG A 47 -2.465 -0.520 10.124 1.00 0.00 C ATOM 747 NE ARG A 47 -3.366 -0.069 11.185 1.00 0.00 N ATOM 748 CZ ARG A 47 -2.961 0.469 12.338 1.00 0.00 C ATOM 749 NH1 ARG A 47 -1.666 0.630 12.596 1.00 0.00 N ATOM 750 NH2 ARG A 47 -3.859 0.846 13.241 1.00 0.00 N ATOM 0 H ARG A 47 0.067 -4.255 7.855 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.513 -4.186 9.214 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.245 -2.675 9.422 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.210 -1.679 8.351 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.967 -2.583 10.401 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.487 -2.091 11.201 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.569 0.100 10.123 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.948 -0.383 9.157 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.369 -0.172 11.034 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.969 0.341 11.909 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.370 1.042 13.481 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.854 0.724 13.052 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.554 1.257 14.123 1.00 0.00 H new ATOM 764 N HIS A 48 -4.011 -3.448 7.412 1.00 0.00 N ATOM 765 CA HIS A 48 -4.925 -3.164 6.314 1.00 0.00 C ATOM 766 C HIS A 48 -5.412 -1.718 6.337 1.00 0.00 C ATOM 767 O HIS A 48 -6.143 -1.311 7.240 1.00 0.00 O ATOM 768 CB HIS A 48 -6.124 -4.123 6.350 1.00 0.00 C ATOM 769 CG HIS A 48 -5.785 -5.534 5.992 1.00 0.00 C ATOM 770 ND1 HIS A 48 -6.263 -6.161 4.862 1.00 0.00 N ATOM 771 CD2 HIS A 48 -5.021 -6.444 6.631 1.00 0.00 C ATOM 772 CE1 HIS A 48 -5.810 -7.401 4.823 1.00 0.00 C ATOM 773 NE2 HIS A 48 -5.051 -7.598 5.886 1.00 0.00 N ATOM 0 H HIS A 48 -4.467 -3.708 8.286 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.372 -3.314 5.387 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.559 -4.107 7.349 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.888 -3.759 5.664 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.485 -6.293 7.557 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.023 -8.129 4.054 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.566 -8.465 6.116 1.00 0.00 H new ATOM 782 N PHE A 49 -5.016 -0.956 5.316 1.00 0.00 N ATOM 783 CA PHE A 49 -5.421 0.438 5.184 1.00 0.00 C ATOM 784 C PHE A 49 -6.567 0.526 4.188 1.00 0.00 C ATOM 785 O PHE A 49 -6.387 0.434 2.968 1.00 0.00 O ATOM 786 CB PHE A 49 -4.220 1.312 4.794 1.00 0.00 C ATOM 787 CG PHE A 49 -3.050 1.110 5.712 1.00 0.00 C ATOM 788 CD1 PHE A 49 -2.985 1.799 6.906 1.00 0.00 C ATOM 789 CD2 PHE A 49 -2.029 0.223 5.396 1.00 0.00 C ATOM 790 CE1 PHE A 49 -1.929 1.617 7.771 1.00 0.00 C ATOM 791 CE2 PHE A 49 -0.969 0.037 6.262 1.00 0.00 C ATOM 792 CZ PHE A 49 -0.920 0.735 7.449 1.00 0.00 C ATOM 0 H PHE A 49 -4.411 -1.287 4.565 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.779 0.822 6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.921 1.081 3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.516 2.361 4.810 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.773 2.490 7.166 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.064 -0.325 4.466 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.892 2.165 8.701 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.179 -0.655 6.009 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.091 0.591 8.127 1.00 0.00 H new ATOM 802 N THR A 50 -7.757 0.621 4.767 1.00 0.00 N ATOM 803 CA THR A 50 -9.020 0.637 4.042 1.00 0.00 C ATOM 804 C THR A 50 -9.337 1.951 3.339 1.00 0.00 C ATOM 805 O THR A 50 -8.867 3.023 3.724 1.00 0.00 O ATOM 806 CB THR A 50 -10.134 0.278 5.023 1.00 0.00 C ATOM 807 OG1 THR A 50 -11.362 0.051 4.353 1.00 0.00 O ATOM 808 CG2 THR A 50 -10.369 1.340 6.079 1.00 0.00 C ATOM 0 H THR A 50 -7.873 0.691 5.778 1.00 0.00 H new ATOM 0 HA THR A 50 -8.937 -0.094 3.237 1.00 0.00 H new ATOM 0 HB THR A 50 -9.791 -0.632 5.514 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.054 -0.178 5.008 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.173 1.022 6.743 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.457 1.486 6.658 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.646 2.277 5.597 1.00 0.00 H new ATOM 816 N ASP A 51 -10.158 1.826 2.293 1.00 0.00 N ATOM 817 CA ASP A 51 -10.590 2.958 1.488 1.00 0.00 C ATOM 818 C ASP A 51 -12.069 3.250 1.699 1.00 0.00 C ATOM 819 O ASP A 51 -12.876 2.339 1.885 1.00 0.00 O ATOM 820 CB ASP A 51 -10.327 2.669 0.004 1.00 0.00 C ATOM 821 CG ASP A 51 -11.442 3.153 -0.913 1.00 0.00 C ATOM 822 OD1 ASP A 51 -11.519 4.373 -1.170 1.00 0.00 O ATOM 823 OD2 ASP A 51 -12.241 2.311 -1.371 1.00 0.00 O ATOM 0 H ASP A 51 -10.540 0.932 1.984 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.021 3.834 1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.392 3.145 -0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.195 1.596 -0.132 1.00 0.00 H new ATOM 828 N ASP A 52 -12.414 4.529 1.637 1.00 0.00 N ATOM 829 CA ASP A 52 -13.792 4.957 1.791 1.00 0.00 C ATOM 830 C ASP A 52 -13.950 6.395 1.310 1.00 0.00 C ATOM 831 O ASP A 52 -13.473 7.329 1.956 1.00 0.00 O ATOM 832 CB ASP A 52 -14.229 4.828 3.248 1.00 0.00 C ATOM 833 CG ASP A 52 -15.649 5.309 3.473 1.00 0.00 C ATOM 834 OD1 ASP A 52 -16.588 4.560 3.137 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.820 6.436 3.982 1.00 0.00 O ATOM 0 H ASP A 52 -11.753 5.289 1.480 1.00 0.00 H new ATOM 0 HA ASP A 52 -14.430 4.315 1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.149 3.786 3.557 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.550 5.401 3.880 1.00 0.00 H new ATOM 840 N GLY A 53 -14.618 6.560 0.170 1.00 0.00 N ATOM 841 CA GLY A 53 -14.830 7.885 -0.394 1.00 0.00 C ATOM 842 C GLY A 53 -13.550 8.704 -0.483 1.00 0.00 C ATOM 843 O GLY A 53 -13.475 9.800 0.074 1.00 0.00 O ATOM 0 H GLY A 53 -15.018 5.797 -0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.261 7.785 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.557 8.422 0.216 1.00 0.00 H new ATOM 847 N PHE A 54 -12.542 8.174 -1.185 1.00 0.00 N ATOM 848 CA PHE A 54 -11.265 8.865 -1.343 1.00 0.00 C ATOM 849 C PHE A 54 -11.374 9.987 -2.371 1.00 0.00 C ATOM 850 O PHE A 54 -12.419 10.183 -2.995 1.00 0.00 O ATOM 851 CB PHE A 54 -10.164 7.885 -1.784 1.00 0.00 C ATOM 852 CG PHE A 54 -9.505 7.131 -0.661 1.00 0.00 C ATOM 853 CD1 PHE A 54 -9.367 7.701 0.594 1.00 0.00 C ATOM 854 CD2 PHE A 54 -9.025 5.844 -0.861 1.00 0.00 C ATOM 855 CE1 PHE A 54 -8.769 7.005 1.621 1.00 0.00 C ATOM 856 CE2 PHE A 54 -8.429 5.147 0.172 1.00 0.00 C ATOM 857 CZ PHE A 54 -8.303 5.730 1.415 1.00 0.00 C ATOM 0 H PHE A 54 -12.590 7.268 -1.652 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.003 9.291 -0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.594 7.167 -2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.400 8.440 -2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -9.732 8.702 0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.118 5.383 -1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.666 7.464 2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.062 4.145 0.006 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.839 5.185 2.224 1.00 0.00 H new ATOM 935 N ASN A 60 -2.278 11.411 0.867 1.00 0.00 N ATOM 936 CA ASN A 60 -2.914 12.085 2.008 1.00 0.00 C ATOM 937 C ASN A 60 -4.396 11.716 2.091 1.00 0.00 C ATOM 938 O ASN A 60 -5.254 12.381 1.511 1.00 0.00 O ATOM 939 CB ASN A 60 -2.730 13.608 1.924 1.00 0.00 C ATOM 940 CG ASN A 60 -1.279 14.058 2.089 1.00 0.00 C ATOM 941 OD1 ASN A 60 -0.965 15.229 1.879 1.00 0.00 O ATOM 942 ND2 ASN A 60 -0.384 13.144 2.469 1.00 0.00 N ATOM 0 HA ASN A 60 -2.425 11.743 2.920 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.103 13.958 0.962 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.339 14.082 2.694 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.593 13.408 2.593 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.677 12.181 2.635 1.00 0.00 H new ATOM 949 N ARG A 61 -4.668 10.624 2.805 1.00 0.00 N ATOM 950 CA ARG A 61 -6.026 10.095 2.977 1.00 0.00 C ATOM 951 C ARG A 61 -6.195 9.541 4.391 1.00 0.00 C ATOM 952 O ARG A 61 -5.222 9.398 5.115 1.00 0.00 O ATOM 953 CB ARG A 61 -6.276 8.975 1.952 1.00 0.00 C ATOM 954 CG ARG A 61 -5.295 8.968 0.781 1.00 0.00 C ATOM 955 CD ARG A 61 -5.697 9.961 -0.297 1.00 0.00 C ATOM 956 NE ARG A 61 -6.493 9.341 -1.354 1.00 0.00 N ATOM 957 CZ ARG A 61 -5.985 8.576 -2.322 1.00 0.00 C ATOM 958 NH1 ARG A 61 -4.687 8.286 -2.345 1.00 0.00 N ATOM 959 NH2 ARG A 61 -6.778 8.092 -3.268 1.00 0.00 N ATOM 0 H ARG A 61 -3.952 10.077 3.283 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.745 10.899 2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.223 8.013 2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.289 9.074 1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.295 9.209 1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.247 7.967 0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.267 10.773 0.155 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.801 10.404 -0.732 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.500 9.503 -1.352 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.070 8.649 -1.618 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.308 7.700 -3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.776 8.305 -3.255 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.391 7.507 -4.008 1.00 0.00 H new ATOM 973 N PRO A 62 -7.429 9.212 4.803 1.00 0.00 N ATOM 974 CA PRO A 62 -7.706 8.649 6.138 1.00 0.00 C ATOM 975 C PRO A 62 -6.867 7.388 6.399 1.00 0.00 C ATOM 976 O PRO A 62 -5.835 7.443 7.085 1.00 0.00 O ATOM 977 CB PRO A 62 -9.207 8.313 6.070 1.00 0.00 C ATOM 978 CG PRO A 62 -9.511 8.275 4.612 1.00 0.00 C ATOM 979 CD PRO A 62 -8.654 9.342 4.013 1.00 0.00 C ATOM 0 HA PRO A 62 -7.455 9.333 6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.422 7.356 6.546 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.807 9.066 6.582 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.282 7.298 4.186 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.568 8.465 4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.476 9.177 2.950 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.102 10.331 4.111 1.00 0.00 H new ATOM 987 N GLY A 63 -7.292 6.258 5.820 1.00 0.00 N ATOM 988 CA GLY A 63 -6.551 5.020 5.974 1.00 0.00 C ATOM 989 C GLY A 63 -5.127 5.165 5.470 1.00 0.00 C ATOM 990 O GLY A 63 -4.201 4.565 6.017 1.00 0.00 O ATOM 0 H GLY A 63 -8.135 6.184 5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.540 4.728 7.024 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.053 4.222 5.427 1.00 0.00 H new ATOM 994 N PHE A 64 -4.960 5.988 4.431 1.00 0.00 N ATOM 995 CA PHE A 64 -3.655 6.255 3.845 1.00 0.00 C ATOM 996 C PHE A 64 -2.747 6.941 4.862 1.00 0.00 C ATOM 997 O PHE A 64 -1.575 6.588 4.993 1.00 0.00 O ATOM 998 CB PHE A 64 -3.832 7.134 2.608 1.00 0.00 C ATOM 999 CG PHE A 64 -2.576 7.355 1.829 1.00 0.00 C ATOM 1000 CD1 PHE A 64 -1.524 8.059 2.379 1.00 0.00 C ATOM 1001 CD2 PHE A 64 -2.453 6.862 0.547 1.00 0.00 C ATOM 1002 CE1 PHE A 64 -0.367 8.266 1.667 1.00 0.00 C ATOM 1003 CE2 PHE A 64 -1.298 7.063 -0.173 1.00 0.00 C ATOM 1004 CZ PHE A 64 -0.252 7.766 0.387 1.00 0.00 C ATOM 0 H PHE A 64 -5.727 6.484 3.977 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.188 5.314 3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.576 6.677 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.230 8.101 2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.611 8.452 3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.271 6.313 0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.449 8.818 2.108 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.211 6.671 -1.175 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.656 7.925 -0.176 1.00 0.00 H new ATOM 1014 N GLN A 65 -3.304 7.908 5.595 1.00 0.00 N ATOM 1015 CA GLN A 65 -2.552 8.623 6.619 1.00 0.00 C ATOM 1016 C GLN A 65 -2.090 7.647 7.688 1.00 0.00 C ATOM 1017 O GLN A 65 -1.036 7.836 8.290 1.00 0.00 O ATOM 1018 CB GLN A 65 -3.383 9.751 7.237 1.00 0.00 C ATOM 1019 CG GLN A 65 -3.230 11.079 6.509 1.00 0.00 C ATOM 1020 CD GLN A 65 -3.416 12.275 7.425 1.00 0.00 C ATOM 1021 OE1 GLN A 65 -4.521 12.799 7.562 1.00 0.00 O ATOM 1022 NE2 GLN A 65 -2.334 12.717 8.057 1.00 0.00 N ATOM 0 H GLN A 65 -4.273 8.211 5.496 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.680 9.081 6.151 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.434 9.462 7.235 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.090 9.880 8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.241 11.127 6.053 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.958 11.130 5.699 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.436 12.254 7.916 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.401 13.519 8.683 1.00 0.00 H new ATOM 1031 N SER A 66 -2.859 6.568 7.879 1.00 0.00 N ATOM 1032 CA SER A 66 -2.482 5.530 8.830 1.00 0.00 C ATOM 1033 C SER A 66 -1.269 4.799 8.260 1.00 0.00 C ATOM 1034 O SER A 66 -0.270 4.588 8.952 1.00 0.00 O ATOM 1035 CB SER A 66 -3.642 4.560 9.071 1.00 0.00 C ATOM 1036 OG SER A 66 -3.537 3.940 10.340 1.00 0.00 O ATOM 0 H SER A 66 -3.737 6.397 7.390 1.00 0.00 H new ATOM 0 HA SER A 66 -2.236 5.974 9.794 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.588 5.097 9.003 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.651 3.799 8.291 1.00 0.00 H new ATOM 0 HG SER A 66 -4.291 3.327 10.468 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.355 4.470 6.962 1.00 0.00 N ATOM 1043 CA LEU A 67 -0.271 3.827 6.238 1.00 0.00 C ATOM 1044 C LEU A 67 1.013 4.669 6.397 1.00 0.00 C ATOM 1045 O LEU A 67 2.086 4.150 6.739 1.00 0.00 O ATOM 1046 CB LEU A 67 -0.698 3.681 4.758 1.00 0.00 C ATOM 1047 CG LEU A 67 0.309 4.143 3.712 1.00 0.00 C ATOM 1048 CD1 LEU A 67 1.439 3.141 3.622 1.00 0.00 C ATOM 1049 CD2 LEU A 67 -0.376 4.300 2.366 1.00 0.00 C ATOM 0 H LEU A 67 -2.183 4.647 6.393 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.060 2.833 6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.928 2.632 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.622 4.240 4.613 1.00 0.00 H new ATOM 0 HG LEU A 67 0.719 5.110 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.159 3.471 2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.933 3.061 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.040 2.168 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.351 4.631 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.798 3.343 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.173 5.039 2.447 1.00 0.00 H new ATOM 1061 N ILE A 68 0.877 5.983 6.182 1.00 0.00 N ATOM 1062 CA ILE A 68 1.992 6.917 6.321 1.00 0.00 C ATOM 1063 C ILE A 68 2.416 7.058 7.789 1.00 0.00 C ATOM 1064 O ILE A 68 3.606 7.155 8.082 1.00 0.00 O ATOM 1065 CB ILE A 68 1.623 8.312 5.761 1.00 0.00 C ATOM 1066 CG1 ILE A 68 1.487 8.268 4.233 1.00 0.00 C ATOM 1067 CG2 ILE A 68 2.648 9.357 6.180 1.00 0.00 C ATOM 1068 CD1 ILE A 68 2.797 8.079 3.491 1.00 0.00 C ATOM 0 H ILE A 68 -0.002 6.422 5.909 1.00 0.00 H new ATOM 0 HA ILE A 68 2.825 6.511 5.747 1.00 0.00 H new ATOM 0 HB ILE A 68 0.659 8.597 6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.811 7.456 3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.023 9.195 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.365 10.328 5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.684 9.416 7.268 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.630 9.077 5.799 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.608 8.059 2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.470 8.903 3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.255 7.138 3.796 1.00 0.00 H new ATOM 1080 N LYS A 69 1.439 7.071 8.706 1.00 0.00 N ATOM 1081 CA LYS A 69 1.725 7.201 10.141 1.00 0.00 C ATOM 1082 C LYS A 69 2.714 6.124 10.595 1.00 0.00 C ATOM 1083 O LYS A 69 3.585 6.375 11.431 1.00 0.00 O ATOM 1084 CB LYS A 69 0.426 7.157 10.962 1.00 0.00 C ATOM 1085 CG LYS A 69 0.155 5.836 11.666 1.00 0.00 C ATOM 1086 CD LYS A 69 -0.012 6.018 13.168 1.00 0.00 C ATOM 1087 CE LYS A 69 1.246 6.586 13.813 1.00 0.00 C ATOM 1088 NZ LYS A 69 1.199 8.071 13.933 1.00 0.00 N ATOM 0 H LYS A 69 0.447 6.993 8.481 1.00 0.00 H new ATOM 0 HA LYS A 69 2.191 8.171 10.314 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.459 7.950 11.709 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.412 7.378 10.301 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.746 5.382 11.253 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.977 5.146 11.473 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.852 6.684 13.362 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.254 5.059 13.626 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.374 6.148 14.803 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.116 6.299 13.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.950 8.490 13.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.274 8.416 13.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.340 8.344 14.927 1.00 0.00 H new ATOM 1102 N GLU A 70 2.602 4.936 10.005 1.00 0.00 N ATOM 1103 CA GLU A 70 3.518 3.846 10.315 1.00 0.00 C ATOM 1104 C GLU A 70 4.847 4.126 9.630 1.00 0.00 C ATOM 1105 O GLU A 70 5.912 3.883 10.198 1.00 0.00 O ATOM 1106 CB GLU A 70 2.948 2.500 9.859 1.00 0.00 C ATOM 1107 CG GLU A 70 2.795 1.481 10.982 1.00 0.00 C ATOM 1108 CD GLU A 70 2.090 2.025 12.215 1.00 0.00 C ATOM 1109 OE1 GLU A 70 1.260 2.946 12.077 1.00 0.00 O ATOM 1110 OE2 GLU A 70 2.367 1.519 13.322 1.00 0.00 O ATOM 0 H GLU A 70 1.889 4.706 9.313 1.00 0.00 H new ATOM 0 HA GLU A 70 3.661 3.786 11.394 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.975 2.666 9.398 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.598 2.083 9.090 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.239 0.622 10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.783 1.120 11.269 1.00 0.00 H new ATOM 1117 N VAL A 71 4.770 4.676 8.410 1.00 0.00 N ATOM 1118 CA VAL A 71 5.967 5.030 7.655 1.00 0.00 C ATOM 1119 C VAL A 71 6.843 6.006 8.449 1.00 0.00 C ATOM 1120 O VAL A 71 8.038 5.772 8.631 1.00 0.00 O ATOM 1121 CB VAL A 71 5.627 5.702 6.304 1.00 0.00 C ATOM 1122 CG1 VAL A 71 6.900 6.168 5.626 1.00 0.00 C ATOM 1123 CG2 VAL A 71 4.839 4.778 5.387 1.00 0.00 C ATOM 0 H VAL A 71 3.893 4.882 7.932 1.00 0.00 H new ATOM 0 HA VAL A 71 6.496 4.095 7.472 1.00 0.00 H new ATOM 0 HB VAL A 71 4.992 6.563 6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.654 6.640 4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.411 6.887 6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.552 5.313 5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.623 5.292 4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.425 3.882 5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.904 4.497 5.871 1.00 0.00 H new ATOM 1133 N GLU A 72 6.232 7.106 8.908 1.00 0.00 N ATOM 1134 CA GLU A 72 6.943 8.134 9.676 1.00 0.00 C ATOM 1135 C GLU A 72 7.524 7.546 10.955 1.00 0.00 C ATOM 1136 O GLU A 72 8.651 7.862 11.338 1.00 0.00 O ATOM 1137 CB GLU A 72 6.022 9.313 10.008 1.00 0.00 C ATOM 1138 CG GLU A 72 4.598 8.904 10.332 1.00 0.00 C ATOM 1139 CD GLU A 72 3.912 9.860 11.291 1.00 0.00 C ATOM 1140 OE1 GLU A 72 3.714 11.036 10.922 1.00 0.00 O ATOM 1141 OE2 GLU A 72 3.571 9.430 12.413 1.00 0.00 O ATOM 0 H GLU A 72 5.243 7.306 8.759 1.00 0.00 H new ATOM 0 HA GLU A 72 7.761 8.503 9.057 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.436 9.858 10.857 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.009 10.001 9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.022 8.849 9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.602 7.904 10.765 1.00 0.00 H new ATOM 1148 N ALA A 73 6.755 6.667 11.599 1.00 0.00 N ATOM 1149 CA ALA A 73 7.200 6.007 12.823 1.00 0.00 C ATOM 1150 C ALA A 73 8.272 4.945 12.532 1.00 0.00 C ATOM 1151 O ALA A 73 8.731 4.258 13.444 1.00 0.00 O ATOM 1152 CB ALA A 73 6.008 5.372 13.521 1.00 0.00 C ATOM 0 H ALA A 73 5.821 6.397 11.292 1.00 0.00 H new ATOM 0 HA ALA A 73 7.648 6.758 13.473 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.341 4.880 14.435 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.279 6.143 13.770 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.548 4.637 12.860 1.00 0.00 H new ATOM 1158 N GLY A 74 8.654 4.807 11.255 1.00 0.00 N ATOM 1159 CA GLY A 74 9.645 3.825 10.862 1.00 0.00 C ATOM 1160 C GLY A 74 9.206 2.413 11.210 1.00 0.00 C ATOM 1161 O GLY A 74 9.855 1.722 11.997 1.00 0.00 O ATOM 0 H GLY A 74 8.286 5.367 10.486 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.823 3.897 9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.591 4.044 11.357 1.00 0.00 H new ATOM 1165 N ASN A 75 8.081 2.006 10.621 1.00 0.00 N ATOM 1166 CA ASN A 75 7.498 0.690 10.850 1.00 0.00 C ATOM 1167 C ASN A 75 7.249 -0.026 9.527 1.00 0.00 C ATOM 1168 O ASN A 75 7.825 -1.078 9.266 1.00 0.00 O ATOM 1169 CB ASN A 75 6.172 0.861 11.602 1.00 0.00 C ATOM 1170 CG ASN A 75 6.311 0.709 13.100 1.00 0.00 C ATOM 1171 OD1 ASN A 75 7.326 0.227 13.604 1.00 0.00 O ATOM 1172 ND2 ASN A 75 5.282 1.126 13.824 1.00 0.00 N ATOM 0 H ASN A 75 7.549 2.584 9.970 1.00 0.00 H new ATOM 0 HA ASN A 75 8.190 0.089 11.440 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.761 1.846 11.380 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.456 0.126 11.234 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.311 1.054 14.841 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.461 1.519 13.364 1.00 0.00 H new ATOM 1179 N VAL A 76 6.377 0.549 8.700 1.00 0.00 N ATOM 1180 CA VAL A 76 6.038 -0.037 7.407 1.00 0.00 C ATOM 1181 C VAL A 76 7.288 -0.440 6.615 1.00 0.00 C ATOM 1182 O VAL A 76 7.909 0.381 5.942 1.00 0.00 O ATOM 1183 CB VAL A 76 5.188 0.930 6.559 1.00 0.00 C ATOM 1184 CG1 VAL A 76 5.948 2.199 6.250 1.00 0.00 C ATOM 1185 CG2 VAL A 76 4.726 0.253 5.280 1.00 0.00 C ATOM 0 H VAL A 76 5.892 1.423 8.905 1.00 0.00 H new ATOM 0 HA VAL A 76 5.457 -0.935 7.619 1.00 0.00 H new ATOM 0 HB VAL A 76 4.308 1.203 7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.323 2.861 5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.217 2.698 7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.854 1.955 5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.127 0.951 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.594 -0.057 4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.124 -0.621 5.528 1.00 0.00 H new ATOM 1195 N GLU A 77 7.643 -1.714 6.700 1.00 0.00 N ATOM 1196 CA GLU A 77 8.807 -2.238 5.994 1.00 0.00 C ATOM 1197 C GLU A 77 8.409 -2.879 4.660 1.00 0.00 C ATOM 1198 O GLU A 77 9.246 -3.462 3.969 1.00 0.00 O ATOM 1199 CB GLU A 77 9.528 -3.252 6.879 1.00 0.00 C ATOM 1200 CG GLU A 77 8.826 -4.593 6.960 1.00 0.00 C ATOM 1201 CD GLU A 77 9.695 -5.731 6.467 1.00 0.00 C ATOM 1202 OE1 GLU A 77 10.541 -6.215 7.248 1.00 0.00 O ATOM 1203 OE2 GLU A 77 9.533 -6.136 5.299 1.00 0.00 O ATOM 0 H GLU A 77 7.140 -2.408 7.253 1.00 0.00 H new ATOM 0 HA GLU A 77 9.479 -1.409 5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.538 -3.402 6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.625 -2.841 7.884 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.533 -4.785 7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.910 -4.557 6.370 1.00 0.00 H new ATOM 1210 N THR A 78 7.125 -2.774 4.308 1.00 0.00 N ATOM 1211 CA THR A 78 6.612 -3.347 3.066 1.00 0.00 C ATOM 1212 C THR A 78 5.317 -2.673 2.650 1.00 0.00 C ATOM 1213 O THR A 78 4.578 -2.167 3.488 1.00 0.00 O ATOM 1214 CB THR A 78 6.365 -4.853 3.215 1.00 0.00 C ATOM 1215 OG1 THR A 78 6.900 -5.355 4.428 1.00 0.00 O ATOM 1216 CG2 THR A 78 6.959 -5.653 2.085 1.00 0.00 C ATOM 0 H THR A 78 6.421 -2.295 4.870 1.00 0.00 H new ATOM 0 HA THR A 78 7.368 -3.181 2.298 1.00 0.00 H new ATOM 0 HB THR A 78 5.281 -4.966 3.205 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.176 -5.719 4.979 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.754 -6.712 2.242 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.517 -5.334 1.141 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.037 -5.493 2.053 1.00 0.00 H new ATOM 1224 N LEU A 79 5.039 -2.686 1.352 1.00 0.00 N ATOM 1225 CA LEU A 79 3.815 -2.096 0.833 1.00 0.00 C ATOM 1226 C LEU A 79 3.202 -2.996 -0.227 1.00 0.00 C ATOM 1227 O LEU A 79 3.838 -3.317 -1.230 1.00 0.00 O ATOM 1228 CB LEU A 79 4.067 -0.716 0.234 1.00 0.00 C ATOM 1229 CG LEU A 79 2.851 0.229 0.164 1.00 0.00 C ATOM 1230 CD1 LEU A 79 1.554 -0.538 -0.010 1.00 0.00 C ATOM 1231 CD2 LEU A 79 2.760 1.105 1.397 1.00 0.00 C ATOM 0 H LEU A 79 5.644 -3.098 0.642 1.00 0.00 H new ATOM 0 HA LEU A 79 3.126 -1.990 1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.848 -0.227 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.458 -0.847 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 79 2.999 0.863 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.720 0.163 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.594 -1.115 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.415 -1.214 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.892 1.759 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.660 0.477 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.663 1.710 1.481 1.00 0.00 H new ATOM 1243 N ILE A 80 1.960 -3.388 0.003 1.00 0.00 N ATOM 1244 CA ILE A 80 1.239 -4.239 -0.929 1.00 0.00 C ATOM 1245 C ILE A 80 -0.006 -3.523 -1.449 1.00 0.00 C ATOM 1246 O ILE A 80 -0.922 -3.193 -0.683 1.00 0.00 O ATOM 1247 CB ILE A 80 0.846 -5.588 -0.288 1.00 0.00 C ATOM 1248 CG1 ILE A 80 2.091 -6.451 -0.051 1.00 0.00 C ATOM 1249 CG2 ILE A 80 -0.147 -6.333 -1.171 1.00 0.00 C ATOM 1250 CD1 ILE A 80 3.054 -5.882 0.968 1.00 0.00 C ATOM 0 H ILE A 80 1.427 -3.128 0.833 1.00 0.00 H new ATOM 0 HA ILE A 80 1.908 -4.450 -1.764 1.00 0.00 H new ATOM 0 HB ILE A 80 0.372 -5.384 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.776 -7.442 0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.616 -6.580 -0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.411 -7.281 -0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.045 -5.729 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.304 -6.524 -2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.907 -6.552 1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.401 -4.904 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.549 -5.779 1.928 1.00 0.00 H new ATOM 1262 N VAL A 81 -0.014 -3.276 -2.757 1.00 0.00 N ATOM 1263 CA VAL A 81 -1.116 -2.593 -3.420 1.00 0.00 C ATOM 1264 C VAL A 81 -1.517 -3.336 -4.697 1.00 0.00 C ATOM 1265 O VAL A 81 -0.666 -3.915 -5.381 1.00 0.00 O ATOM 1266 CB VAL A 81 -0.722 -1.150 -3.811 1.00 0.00 C ATOM 1267 CG1 VAL A 81 -1.930 -0.380 -4.318 1.00 0.00 C ATOM 1268 CG2 VAL A 81 -0.071 -0.393 -2.647 1.00 0.00 C ATOM 0 H VAL A 81 0.744 -3.545 -3.384 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.949 -2.570 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 81 0.015 -1.229 -4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.629 0.633 -4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.340 -0.882 -5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.689 -0.337 -3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.189 0.616 -2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.770 -0.339 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.831 -0.917 -2.332 1.00 0.00 H new ATOM 1278 N LYS A 82 -2.809 -3.291 -5.031 1.00 0.00 N ATOM 1279 CA LYS A 82 -3.310 -3.931 -6.241 1.00 0.00 C ATOM 1280 C LYS A 82 -2.523 -3.434 -7.456 1.00 0.00 C ATOM 1281 O LYS A 82 -2.221 -4.201 -8.364 1.00 0.00 O ATOM 1282 CB LYS A 82 -4.797 -3.621 -6.428 1.00 0.00 C ATOM 1283 CG LYS A 82 -5.652 -4.852 -6.659 1.00 0.00 C ATOM 1284 CD LYS A 82 -5.270 -5.552 -7.949 1.00 0.00 C ATOM 1285 CE LYS A 82 -5.082 -7.045 -7.739 1.00 0.00 C ATOM 1286 NZ LYS A 82 -5.648 -7.847 -8.859 1.00 0.00 N ATOM 0 H LYS A 82 -3.524 -2.817 -4.478 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.183 -5.009 -6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.163 -3.095 -5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.914 -2.944 -7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.537 -5.540 -5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.703 -4.566 -6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.044 -5.384 -8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.349 -5.120 -8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.019 -7.265 -7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.559 -7.342 -6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.423 -8.852 -8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.680 -7.724 -8.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.237 -7.526 -9.759 1.00 0.00 H new ATOM 1300 N ASP A 83 -2.191 -2.135 -7.446 1.00 0.00 N ATOM 1301 CA ASP A 83 -1.429 -1.508 -8.528 1.00 0.00 C ATOM 1302 C ASP A 83 -1.066 -0.060 -8.181 1.00 0.00 C ATOM 1303 O ASP A 83 -1.634 0.527 -7.260 1.00 0.00 O ATOM 1304 CB ASP A 83 -2.215 -1.553 -9.848 1.00 0.00 C ATOM 1305 CG ASP A 83 -3.543 -0.806 -9.803 1.00 0.00 C ATOM 1306 OD1 ASP A 83 -3.954 -0.361 -8.711 1.00 0.00 O ATOM 1307 OD2 ASP A 83 -4.175 -0.670 -10.871 1.00 0.00 O ATOM 0 H ASP A 83 -2.442 -1.496 -6.692 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.506 -2.074 -8.652 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.598 -1.130 -10.641 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.404 -2.594 -10.112 1.00 0.00 H new ATOM 1312 N MET A 84 -0.113 0.506 -8.929 1.00 0.00 N ATOM 1313 CA MET A 84 0.337 1.884 -8.709 1.00 0.00 C ATOM 1314 C MET A 84 -0.763 2.919 -8.997 1.00 0.00 C ATOM 1315 O MET A 84 -0.569 4.110 -8.752 1.00 0.00 O ATOM 1316 CB MET A 84 1.559 2.187 -9.581 1.00 0.00 C ATOM 1317 CG MET A 84 2.861 1.624 -9.035 1.00 0.00 C ATOM 1318 SD MET A 84 3.758 2.807 -8.014 1.00 0.00 S ATOM 1319 CE MET A 84 3.860 1.908 -6.472 1.00 0.00 C ATOM 0 H MET A 84 0.363 0.029 -9.695 1.00 0.00 H new ATOM 0 HA MET A 84 0.598 1.964 -7.654 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.390 1.783 -10.579 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.658 3.267 -9.687 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.647 0.732 -8.447 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.495 1.314 -9.866 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.823 2.102 -6.001 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.059 2.233 -5.808 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.760 0.840 -6.666 1.00 0.00 H new ATOM 1329 N SER A 85 -1.914 2.479 -9.516 1.00 0.00 N ATOM 1330 CA SER A 85 -3.009 3.401 -9.822 1.00 0.00 C ATOM 1331 C SER A 85 -3.662 3.941 -8.547 1.00 0.00 C ATOM 1332 O SER A 85 -4.277 5.008 -8.564 1.00 0.00 O ATOM 1333 CB SER A 85 -4.059 2.717 -10.704 1.00 0.00 C ATOM 1334 OG SER A 85 -5.013 2.013 -9.926 1.00 0.00 O ATOM 0 H SER A 85 -2.109 1.501 -9.731 1.00 0.00 H new ATOM 0 HA SER A 85 -2.585 4.245 -10.366 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.566 3.465 -11.314 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.566 2.027 -11.389 1.00 0.00 H new ATOM 0 HG SER A 85 -5.669 1.589 -10.518 1.00 0.00 H new ATOM 1340 N ARG A 86 -3.528 3.200 -7.448 1.00 0.00 N ATOM 1341 CA ARG A 86 -4.107 3.605 -6.169 1.00 0.00 C ATOM 1342 C ARG A 86 -3.508 4.930 -5.687 1.00 0.00 C ATOM 1343 O ARG A 86 -4.241 5.887 -5.429 1.00 0.00 O ATOM 1344 CB ARG A 86 -3.908 2.502 -5.124 1.00 0.00 C ATOM 1345 CG ARG A 86 -4.362 1.122 -5.591 1.00 0.00 C ATOM 1346 CD ARG A 86 -5.867 1.044 -5.766 1.00 0.00 C ATOM 1347 NE ARG A 86 -6.240 0.787 -7.160 1.00 0.00 N ATOM 1348 CZ ARG A 86 -6.687 -0.385 -7.622 1.00 0.00 C ATOM 1349 NH1 ARG A 86 -6.784 -1.440 -6.820 1.00 0.00 N ATOM 1350 NH2 ARG A 86 -7.024 -0.504 -8.901 1.00 0.00 N ATOM 0 H ARG A 86 -3.023 2.315 -7.418 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.177 3.759 -6.310 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.853 2.455 -4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.456 2.768 -4.220 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.875 0.881 -6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.042 0.372 -4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.266 0.253 -5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.320 1.978 -5.435 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.152 1.556 -7.824 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.516 -1.361 -5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.127 -2.329 -7.185 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.941 0.297 -9.527 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.366 -1.397 -9.258 1.00 0.00 H new ATOM 1364 N LEU A 87 -2.178 4.986 -5.577 1.00 0.00 N ATOM 1365 CA LEU A 87 -1.491 6.205 -5.136 1.00 0.00 C ATOM 1366 C LEU A 87 -1.391 7.234 -6.262 1.00 0.00 C ATOM 1367 O LEU A 87 -1.590 8.426 -6.023 1.00 0.00 O ATOM 1368 CB LEU A 87 -0.093 5.869 -4.595 1.00 0.00 C ATOM 1369 CG LEU A 87 -0.066 5.229 -3.200 1.00 0.00 C ATOM 1370 CD1 LEU A 87 -0.027 3.713 -3.300 1.00 0.00 C ATOM 1371 CD2 LEU A 87 1.121 5.740 -2.398 1.00 0.00 C ATOM 0 H LEU A 87 -1.556 4.205 -5.786 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.084 6.645 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.397 5.194 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.498 6.785 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.981 5.513 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.008 3.283 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.912 3.360 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.867 3.407 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.122 5.274 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.046 5.491 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.047 6.822 -2.288 1.00 0.00 H new ATOM 1383 N GLY A 88 -1.092 6.791 -7.488 1.00 0.00 N ATOM 1384 CA GLY A 88 -0.992 7.735 -8.592 1.00 0.00 C ATOM 1385 C GLY A 88 -0.068 7.292 -9.709 1.00 0.00 C ATOM 1386 O GLY A 88 0.871 6.526 -9.488 1.00 0.00 O ATOM 0 H GLY A 88 -0.921 5.815 -7.731 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.987 7.901 -9.004 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.643 8.693 -8.206 1.00 0.00 H new ATOM 1390 N ARG A 89 -0.334 7.803 -10.914 1.00 0.00 N ATOM 1391 CA ARG A 89 0.474 7.494 -12.091 1.00 0.00 C ATOM 1392 C ARG A 89 1.765 8.319 -12.099 1.00 0.00 C ATOM 1393 O ARG A 89 2.713 7.985 -12.810 1.00 0.00 O ATOM 1394 CB ARG A 89 -0.323 7.765 -13.370 1.00 0.00 C ATOM 1395 CG ARG A 89 -1.384 6.717 -13.665 1.00 0.00 C ATOM 1396 CD ARG A 89 -2.783 7.250 -13.404 1.00 0.00 C ATOM 1397 NE ARG A 89 -3.791 6.189 -13.438 1.00 0.00 N ATOM 1398 CZ ARG A 89 -4.946 6.225 -12.766 1.00 0.00 C ATOM 1399 NH1 ARG A 89 -5.261 7.278 -12.014 1.00 0.00 N ATOM 1400 NH2 ARG A 89 -5.792 5.204 -12.849 1.00 0.00 N ATOM 0 H ARG A 89 -1.111 8.438 -11.098 1.00 0.00 H new ATOM 0 HA ARG A 89 0.737 6.437 -12.051 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.802 8.741 -13.289 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.367 7.818 -14.212 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.303 6.399 -14.704 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.208 5.836 -13.047 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.808 7.742 -12.432 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.028 8.006 -14.150 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.599 5.368 -14.012 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.618 8.067 -11.947 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.145 7.295 -11.505 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.560 4.395 -13.425 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -6.674 5.229 -12.337 1.00 0.00 H new ATOM 1414 N ASN A 90 1.787 9.399 -11.306 1.00 0.00 N ATOM 1415 CA ASN A 90 2.952 10.282 -11.212 1.00 0.00 C ATOM 1416 C ASN A 90 4.141 9.557 -10.575 1.00 0.00 C ATOM 1417 O ASN A 90 4.445 9.749 -9.396 1.00 0.00 O ATOM 1418 CB ASN A 90 2.610 11.549 -10.407 1.00 0.00 C ATOM 1419 CG ASN A 90 1.679 11.277 -9.234 1.00 0.00 C ATOM 1420 OD1 ASN A 90 0.487 11.579 -9.292 1.00 0.00 O ATOM 1421 ND2 ASN A 90 2.217 10.702 -8.164 1.00 0.00 N ATOM 0 H ASN A 90 1.003 9.681 -10.717 1.00 0.00 H new ATOM 0 HA ASN A 90 3.231 10.575 -12.224 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.532 11.996 -10.035 1.00 0.00 H new ATOM 0 HB3 ASN A 90 2.146 12.279 -11.070 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.637 10.495 -7.351 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.210 10.467 -8.156 1.00 0.00 H new ATOM 1428 N TYR A 91 4.804 8.721 -11.374 1.00 0.00 N ATOM 1429 CA TYR A 91 5.962 7.938 -10.931 1.00 0.00 C ATOM 1430 C TYR A 91 7.027 8.794 -10.224 1.00 0.00 C ATOM 1431 O TYR A 91 7.863 8.255 -9.499 1.00 0.00 O ATOM 1432 CB TYR A 91 6.557 7.208 -12.140 1.00 0.00 C ATOM 1433 CG TYR A 91 7.763 6.339 -11.847 1.00 0.00 C ATOM 1434 CD1 TYR A 91 7.616 5.021 -11.427 1.00 0.00 C ATOM 1435 CD2 TYR A 91 9.049 6.831 -12.020 1.00 0.00 C ATOM 1436 CE1 TYR A 91 8.719 4.221 -11.187 1.00 0.00 C ATOM 1437 CE2 TYR A 91 10.153 6.041 -11.779 1.00 0.00 C ATOM 1438 CZ TYR A 91 9.985 4.738 -11.363 1.00 0.00 C ATOM 1439 OH TYR A 91 11.088 3.951 -11.127 1.00 0.00 O ATOM 0 H TYR A 91 4.554 8.566 -12.351 1.00 0.00 H new ATOM 0 HA TYR A 91 5.620 7.216 -10.189 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.781 6.585 -12.584 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.838 7.949 -12.888 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.625 4.616 -11.286 1.00 0.00 H new ATOM 0 HD2 TYR A 91 9.187 7.850 -12.349 1.00 0.00 H new ATOM 0 HE1 TYR A 91 8.589 3.199 -10.864 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.146 6.442 -11.916 1.00 0.00 H new ATOM 0 HH TYR A 91 10.902 3.342 -10.382 1.00 0.00 H new ATOM 1449 N LEU A 92 6.983 10.120 -10.410 1.00 0.00 N ATOM 1450 CA LEU A 92 7.937 11.018 -9.758 1.00 0.00 C ATOM 1451 C LEU A 92 7.669 11.053 -8.256 1.00 0.00 C ATOM 1452 O LEU A 92 8.528 10.693 -7.450 1.00 0.00 O ATOM 1453 CB LEU A 92 7.830 12.437 -10.325 1.00 0.00 C ATOM 1454 CG LEU A 92 8.204 12.589 -11.800 1.00 0.00 C ATOM 1455 CD1 LEU A 92 7.111 12.017 -12.685 1.00 0.00 C ATOM 1456 CD2 LEU A 92 8.452 14.051 -12.135 1.00 0.00 C ATOM 0 H LEU A 92 6.300 10.590 -11.004 1.00 0.00 H new ATOM 0 HA LEU A 92 8.942 10.642 -9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.806 12.787 -10.190 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.471 13.093 -9.737 1.00 0.00 H new ATOM 0 HG LEU A 92 9.123 12.032 -11.985 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.392 12.133 -13.732 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.977 10.959 -12.460 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.177 12.548 -12.499 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.717 14.143 -13.188 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.549 14.628 -11.936 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.268 14.432 -11.521 1.00 0.00 H new ATOM 1468 N GLN A 93 6.456 11.477 -7.899 1.00 0.00 N ATOM 1469 CA GLN A 93 6.030 11.556 -6.505 1.00 0.00 C ATOM 1470 C GLN A 93 5.993 10.168 -5.880 1.00 0.00 C ATOM 1471 O GLN A 93 6.537 9.951 -4.793 1.00 0.00 O ATOM 1472 CB GLN A 93 4.641 12.194 -6.421 1.00 0.00 C ATOM 1473 CG GLN A 93 4.664 13.708 -6.324 1.00 0.00 C ATOM 1474 CD GLN A 93 5.240 14.205 -5.011 1.00 0.00 C ATOM 1475 OE1 GLN A 93 5.151 13.531 -3.985 1.00 0.00 O ATOM 1476 NE2 GLN A 93 5.833 15.392 -5.037 1.00 0.00 N ATOM 0 H GLN A 93 5.745 11.774 -8.567 1.00 0.00 H new ATOM 0 HA GLN A 93 6.745 12.170 -5.958 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.066 11.905 -7.300 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.119 11.792 -5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.251 14.111 -7.149 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.650 14.090 -6.438 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.885 15.917 -5.910 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.237 15.779 -4.184 1.00 0.00 H new ATOM 1485 N VAL A 94 5.355 9.225 -6.581 1.00 0.00 N ATOM 1486 CA VAL A 94 5.259 7.852 -6.093 1.00 0.00 C ATOM 1487 C VAL A 94 6.656 7.298 -5.815 1.00 0.00 C ATOM 1488 O VAL A 94 6.892 6.672 -4.777 1.00 0.00 O ATOM 1489 CB VAL A 94 4.516 6.901 -7.070 1.00 0.00 C ATOM 1490 CG1 VAL A 94 3.872 5.767 -6.296 1.00 0.00 C ATOM 1491 CG2 VAL A 94 3.461 7.630 -7.895 1.00 0.00 C ATOM 0 H VAL A 94 4.902 9.388 -7.480 1.00 0.00 H new ATOM 0 HA VAL A 94 4.671 7.893 -5.176 1.00 0.00 H new ATOM 0 HB VAL A 94 5.256 6.503 -7.764 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.352 5.104 -6.987 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.641 5.207 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.159 6.175 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.969 6.923 -8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.722 8.075 -7.229 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.937 8.414 -8.484 1.00 0.00 H new ATOM 1501 N GLY A 95 7.589 7.563 -6.738 1.00 0.00 N ATOM 1502 CA GLY A 95 8.958 7.116 -6.561 1.00 0.00 C ATOM 1503 C GLY A 95 9.568 7.705 -5.312 1.00 0.00 C ATOM 1504 O GLY A 95 10.091 6.975 -4.481 1.00 0.00 O ATOM 0 H GLY A 95 7.415 8.078 -7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.983 6.028 -6.503 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.552 7.403 -7.429 1.00 0.00 H new ATOM 1508 N PHE A 96 9.468 9.032 -5.170 1.00 0.00 N ATOM 1509 CA PHE A 96 9.982 9.730 -3.991 1.00 0.00 C ATOM 1510 C PHE A 96 9.619 8.952 -2.730 1.00 0.00 C ATOM 1511 O PHE A 96 10.450 8.754 -1.847 1.00 0.00 O ATOM 1512 CB PHE A 96 9.395 11.151 -3.925 1.00 0.00 C ATOM 1513 CG PHE A 96 9.241 11.704 -2.528 1.00 0.00 C ATOM 1514 CD1 PHE A 96 8.157 11.348 -1.734 1.00 0.00 C ATOM 1515 CD2 PHE A 96 10.180 12.579 -2.011 1.00 0.00 C ATOM 1516 CE1 PHE A 96 8.020 11.855 -0.458 1.00 0.00 C ATOM 1517 CE2 PHE A 96 10.046 13.088 -0.734 1.00 0.00 C ATOM 1518 CZ PHE A 96 8.965 12.726 0.042 1.00 0.00 C ATOM 0 H PHE A 96 9.034 9.644 -5.861 1.00 0.00 H new ATOM 0 HA PHE A 96 11.067 9.801 -4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.035 11.821 -4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.419 11.150 -4.411 1.00 0.00 H new ATOM 0 HD1 PHE A 96 7.413 10.667 -2.120 1.00 0.00 H new ATOM 0 HD2 PHE A 96 11.028 12.868 -2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.173 11.570 0.149 1.00 0.00 H new ATOM 0 HE2 PHE A 96 10.787 13.769 -0.343 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.859 13.124 1.040 1.00 0.00 H new ATOM 1528 N TYR A 97 8.365 8.509 -2.661 1.00 0.00 N ATOM 1529 CA TYR A 97 7.886 7.752 -1.515 1.00 0.00 C ATOM 1530 C TYR A 97 8.627 6.428 -1.368 1.00 0.00 C ATOM 1531 O TYR A 97 9.041 6.072 -0.276 1.00 0.00 O ATOM 1532 CB TYR A 97 6.381 7.509 -1.630 1.00 0.00 C ATOM 1533 CG TYR A 97 5.583 8.761 -1.371 1.00 0.00 C ATOM 1534 CD1 TYR A 97 5.516 9.310 -0.100 1.00 0.00 C ATOM 1535 CD2 TYR A 97 4.921 9.409 -2.402 1.00 0.00 C ATOM 1536 CE1 TYR A 97 4.806 10.468 0.139 1.00 0.00 C ATOM 1537 CE2 TYR A 97 4.213 10.569 -2.174 1.00 0.00 C ATOM 1538 CZ TYR A 97 4.156 11.096 -0.902 1.00 0.00 C ATOM 1539 OH TYR A 97 3.449 12.253 -0.671 1.00 0.00 O ATOM 0 H TYR A 97 7.665 8.663 -3.387 1.00 0.00 H new ATOM 0 HA TYR A 97 8.083 8.343 -0.621 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.150 7.132 -2.626 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.084 6.737 -0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.028 8.823 0.717 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.961 8.998 -3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.759 10.880 1.136 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.705 11.063 -2.989 1.00 0.00 H new ATOM 0 HH TYR A 97 3.053 12.567 -1.510 1.00 0.00 H new ATOM 1549 N THR A 98 8.786 5.696 -2.465 1.00 0.00 N ATOM 1550 CA THR A 98 9.466 4.401 -2.420 1.00 0.00 C ATOM 1551 C THR A 98 11.004 4.520 -2.388 1.00 0.00 C ATOM 1552 O THR A 98 11.675 3.598 -1.924 1.00 0.00 O ATOM 1553 CB THR A 98 9.040 3.545 -3.618 1.00 0.00 C ATOM 1554 OG1 THR A 98 9.319 4.206 -4.841 1.00 0.00 O ATOM 1555 CG2 THR A 98 7.567 3.200 -3.612 1.00 0.00 C ATOM 0 H THR A 98 8.457 5.972 -3.390 1.00 0.00 H new ATOM 0 HA THR A 98 9.166 3.925 -1.486 1.00 0.00 H new ATOM 0 HB THR A 98 9.617 2.624 -3.529 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.679 5.099 -4.656 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.332 2.593 -4.486 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.328 2.641 -2.707 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.978 4.117 -3.638 1.00 0.00 H new ATOM 1563 N GLU A 99 11.565 5.624 -2.909 1.00 0.00 N ATOM 1564 CA GLU A 99 13.029 5.788 -2.958 1.00 0.00 C ATOM 1565 C GLU A 99 13.618 6.596 -1.798 1.00 0.00 C ATOM 1566 O GLU A 99 14.675 6.229 -1.293 1.00 0.00 O ATOM 1567 CB GLU A 99 13.463 6.403 -4.288 1.00 0.00 C ATOM 1568 CG GLU A 99 12.829 7.746 -4.595 1.00 0.00 C ATOM 1569 CD GLU A 99 13.843 8.872 -4.649 1.00 0.00 C ATOM 1570 OE1 GLU A 99 14.608 8.936 -5.632 1.00 0.00 O ATOM 1571 OE2 GLU A 99 13.876 9.687 -3.709 1.00 0.00 O ATOM 0 H GLU A 99 11.037 6.406 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 99 13.429 4.779 -2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.547 6.519 -4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.220 5.708 -5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.306 7.687 -5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.081 7.972 -3.835 1.00 0.00 H new ATOM 1578 N VAL A 100 12.979 7.698 -1.394 1.00 0.00 N ATOM 1579 CA VAL A 100 13.511 8.516 -0.294 1.00 0.00 C ATOM 1580 C VAL A 100 12.676 8.401 0.987 1.00 0.00 C ATOM 1581 O VAL A 100 13.223 8.346 2.089 1.00 0.00 O ATOM 1582 CB VAL A 100 13.655 10.007 -0.684 1.00 0.00 C ATOM 1583 CG1 VAL A 100 12.319 10.625 -1.061 1.00 0.00 C ATOM 1584 CG2 VAL A 100 14.308 10.790 0.445 1.00 0.00 C ATOM 0 H VAL A 100 12.109 8.042 -1.801 1.00 0.00 H new ATOM 0 HA VAL A 100 14.503 8.111 -0.093 1.00 0.00 H new ATOM 0 HB VAL A 100 14.296 10.056 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 100 12.465 11.672 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.897 10.089 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.635 10.558 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 100 14.402 11.837 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 100 13.693 10.716 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.297 10.379 0.648 1.00 0.00 H new ATOM 1594 N LEU A 101 11.355 8.394 0.835 1.00 0.00 N ATOM 1595 CA LEU A 101 10.437 8.320 1.975 1.00 0.00 C ATOM 1596 C LEU A 101 10.499 6.973 2.701 1.00 0.00 C ATOM 1597 O LEU A 101 10.764 6.922 3.897 1.00 0.00 O ATOM 1598 CB LEU A 101 9.001 8.571 1.497 1.00 0.00 C ATOM 1599 CG LEU A 101 8.078 9.276 2.496 1.00 0.00 C ATOM 1600 CD1 LEU A 101 8.036 8.521 3.818 1.00 0.00 C ATOM 1601 CD2 LEU A 101 8.530 10.712 2.716 1.00 0.00 C ATOM 0 H LEU A 101 10.890 8.439 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 101 10.747 9.087 2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.041 9.167 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.554 7.613 1.232 1.00 0.00 H new ATOM 0 HG LEU A 101 7.071 9.290 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.375 9.039 4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.664 7.511 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.039 8.472 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.863 11.198 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.547 10.717 3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.504 11.251 1.769 1.00 0.00 H new ATOM 1613 N PHE A 102 10.194 5.899 1.977 1.00 0.00 N ATOM 1614 CA PHE A 102 10.147 4.546 2.539 1.00 0.00 C ATOM 1615 C PHE A 102 11.479 4.025 3.124 1.00 0.00 C ATOM 1616 O PHE A 102 11.465 3.273 4.097 1.00 0.00 O ATOM 1617 CB PHE A 102 9.610 3.571 1.491 1.00 0.00 C ATOM 1618 CG PHE A 102 8.132 3.717 1.228 1.00 0.00 C ATOM 1619 CD1 PHE A 102 7.477 4.887 1.567 1.00 0.00 C ATOM 1620 CD2 PHE A 102 7.396 2.689 0.647 1.00 0.00 C ATOM 1621 CE1 PHE A 102 6.131 5.038 1.334 1.00 0.00 C ATOM 1622 CE2 PHE A 102 6.041 2.836 0.416 1.00 0.00 C ATOM 1623 CZ PHE A 102 5.409 4.013 0.759 1.00 0.00 C ATOM 0 H PHE A 102 9.972 5.939 0.982 1.00 0.00 H new ATOM 0 HA PHE A 102 9.474 4.610 3.394 1.00 0.00 H new ATOM 0 HB2 PHE A 102 10.153 3.720 0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 102 9.813 2.551 1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 102 8.032 5.694 2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 102 7.888 1.767 0.374 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.638 5.961 1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.478 2.031 -0.032 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.351 4.132 0.578 1.00 0.00 H new ATOM 1633 N PRO A 103 12.635 4.385 2.534 1.00 0.00 N ATOM 1634 CA PRO A 103 13.970 3.929 2.987 1.00 0.00 C ATOM 1635 C PRO A 103 14.177 3.892 4.504 1.00 0.00 C ATOM 1636 O PRO A 103 14.956 3.075 4.997 1.00 0.00 O ATOM 1637 CB PRO A 103 14.885 4.979 2.385 1.00 0.00 C ATOM 1638 CG PRO A 103 14.223 5.367 1.115 1.00 0.00 C ATOM 1639 CD PRO A 103 12.743 5.249 1.348 1.00 0.00 C ATOM 0 HA PRO A 103 14.142 2.897 2.682 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.999 5.835 3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.883 4.580 2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.491 6.386 0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 103 14.540 4.717 0.299 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.288 6.224 1.522 1.00 0.00 H new ATOM 0 HD3 PRO A 103 12.238 4.810 0.488 1.00 0.00 H new ATOM 1647 N GLN A 104 13.514 4.789 5.233 1.00 0.00 N ATOM 1648 CA GLN A 104 13.666 4.865 6.698 1.00 0.00 C ATOM 1649 C GLN A 104 13.597 3.487 7.354 1.00 0.00 C ATOM 1650 O GLN A 104 14.349 3.207 8.288 1.00 0.00 O ATOM 1651 CB GLN A 104 12.611 5.771 7.352 1.00 0.00 C ATOM 1652 CG GLN A 104 11.887 6.691 6.391 1.00 0.00 C ATOM 1653 CD GLN A 104 10.877 7.593 7.078 1.00 0.00 C ATOM 1654 OE1 GLN A 104 11.224 8.365 7.972 1.00 0.00 O ATOM 1655 NE2 GLN A 104 9.620 7.504 6.658 1.00 0.00 N ATOM 0 H GLN A 104 12.867 5.474 4.841 1.00 0.00 H new ATOM 0 HA GLN A 104 14.654 5.296 6.862 1.00 0.00 H new ATOM 0 HB2 GLN A 104 11.876 5.144 7.858 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.095 6.376 8.118 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.618 7.307 5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.376 6.091 5.638 1.00 0.00 H new ATOM 0 HE21 GLN A 104 9.376 6.850 5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 104 8.899 8.089 7.079 1.00 0.00 H new ATOM 1664 N LYS A 105 12.686 2.637 6.879 1.00 0.00 N ATOM 1665 CA LYS A 105 12.525 1.304 7.455 1.00 0.00 C ATOM 1666 C LYS A 105 12.742 0.183 6.431 1.00 0.00 C ATOM 1667 O LYS A 105 12.478 -0.982 6.739 1.00 0.00 O ATOM 1668 CB LYS A 105 11.135 1.151 8.095 1.00 0.00 C ATOM 1669 CG LYS A 105 10.350 2.449 8.216 1.00 0.00 C ATOM 1670 CD LYS A 105 9.371 2.612 7.089 1.00 0.00 C ATOM 1671 CE LYS A 105 9.596 3.911 6.361 1.00 0.00 C ATOM 1672 NZ LYS A 105 8.719 4.013 5.176 1.00 0.00 N ATOM 0 H LYS A 105 12.055 2.846 6.105 1.00 0.00 H new ATOM 0 HA LYS A 105 13.296 1.207 8.219 1.00 0.00 H new ATOM 0 HB2 LYS A 105 10.553 0.443 7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 105 11.252 0.718 9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 105 9.817 2.465 9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 105 11.040 3.293 8.224 1.00 0.00 H new ATOM 0 HD2 LYS A 105 9.471 1.779 6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.354 2.581 7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.403 4.747 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.639 3.983 6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 8.819 4.957 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.990 3.289 4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.730 3.865 5.462 1.00 0.00 H new ATOM 1686 N ASN A 106 13.204 0.525 5.217 1.00 0.00 N ATOM 1687 CA ASN A 106 13.426 -0.472 4.168 1.00 0.00 C ATOM 1688 C ASN A 106 12.084 -1.033 3.717 1.00 0.00 C ATOM 1689 O ASN A 106 11.412 -1.745 4.463 1.00 0.00 O ATOM 1690 CB ASN A 106 14.351 -1.583 4.664 1.00 0.00 C ATOM 1691 CG ASN A 106 14.679 -2.608 3.596 1.00 0.00 C ATOM 1692 OD1 ASN A 106 13.907 -2.828 2.663 1.00 0.00 O ATOM 1693 ND2 ASN A 106 15.833 -3.245 3.732 1.00 0.00 N ATOM 0 H ASN A 106 13.429 1.481 4.943 1.00 0.00 H new ATOM 0 HA ASN A 106 13.915 0.002 3.317 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.277 -1.140 5.030 1.00 0.00 H new ATOM 0 HB3 ASN A 106 13.883 -2.086 5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 106 16.111 -3.949 3.048 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.443 -3.032 4.521 1.00 0.00 H new ATOM 1700 N VAL A 107 11.673 -0.656 2.513 1.00 0.00 N ATOM 1701 CA VAL A 107 10.381 -1.066 1.988 1.00 0.00 C ATOM 1702 C VAL A 107 10.450 -1.938 0.743 1.00 0.00 C ATOM 1703 O VAL A 107 11.337 -1.801 -0.102 1.00 0.00 O ATOM 1704 CB VAL A 107 9.506 0.145 1.671 1.00 0.00 C ATOM 1705 CG1 VAL A 107 9.815 0.671 0.273 1.00 0.00 C ATOM 1706 CG2 VAL A 107 8.041 -0.237 1.823 1.00 0.00 C ATOM 0 H VAL A 107 12.217 -0.067 1.883 1.00 0.00 H new ATOM 0 HA VAL A 107 9.947 -1.669 2.786 1.00 0.00 H new ATOM 0 HB VAL A 107 9.722 0.951 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 107 9.184 1.534 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 107 10.863 0.966 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.619 -0.111 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.415 0.626 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 107 7.803 -1.048 1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.854 -0.563 2.846 1.00 0.00 H new ATOM 1716 N ARG A 108 9.446 -2.795 0.638 1.00 0.00 N ATOM 1717 CA ARG A 108 9.268 -3.677 -0.494 1.00 0.00 C ATOM 1718 C ARG A 108 7.892 -3.391 -1.072 1.00 0.00 C ATOM 1719 O ARG A 108 6.886 -3.939 -0.615 1.00 0.00 O ATOM 1720 CB ARG A 108 9.390 -5.142 -0.068 1.00 0.00 C ATOM 1721 CG ARG A 108 10.446 -5.917 -0.836 1.00 0.00 C ATOM 1722 CD ARG A 108 11.713 -6.091 -0.016 1.00 0.00 C ATOM 1723 NE ARG A 108 12.561 -7.166 -0.532 1.00 0.00 N ATOM 1724 CZ ARG A 108 13.063 -8.160 0.211 1.00 0.00 C ATOM 1725 NH1 ARG A 108 12.801 -8.239 1.515 1.00 0.00 N ATOM 1726 NH2 ARG A 108 13.834 -9.082 -0.356 1.00 0.00 N ATOM 0 H ARG A 108 8.723 -2.895 1.351 1.00 0.00 H new ATOM 0 HA ARG A 108 10.041 -3.502 -1.243 1.00 0.00 H new ATOM 0 HB2 ARG A 108 9.624 -5.183 0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 108 8.425 -5.631 -0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.052 -6.895 -1.112 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.680 -5.394 -1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.274 -5.157 -0.015 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.447 -6.305 1.019 1.00 0.00 H new ATOM 0 HE ARG A 108 12.785 -7.157 -1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.211 -7.536 1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 108 13.191 -9.002 2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.041 -9.030 -1.353 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.219 -9.841 0.206 1.00 0.00 H new ATOM 1740 N PHE A 109 7.848 -2.488 -2.046 1.00 0.00 N ATOM 1741 CA PHE A 109 6.586 -2.085 -2.644 1.00 0.00 C ATOM 1742 C PHE A 109 6.112 -3.095 -3.680 1.00 0.00 C ATOM 1743 O PHE A 109 6.920 -3.691 -4.395 1.00 0.00 O ATOM 1744 CB PHE A 109 6.714 -0.710 -3.294 1.00 0.00 C ATOM 1745 CG PHE A 109 5.466 0.116 -3.186 1.00 0.00 C ATOM 1746 CD1 PHE A 109 4.332 -0.206 -3.917 1.00 0.00 C ATOM 1747 CD2 PHE A 109 5.430 1.214 -2.350 1.00 0.00 C ATOM 1748 CE1 PHE A 109 3.187 0.556 -3.814 1.00 0.00 C ATOM 1749 CE2 PHE A 109 4.292 1.984 -2.240 1.00 0.00 C ATOM 1750 CZ PHE A 109 3.165 1.655 -2.974 1.00 0.00 C ATOM 0 H PHE A 109 8.669 -2.025 -2.435 1.00 0.00 H new ATOM 0 HA PHE A 109 5.848 -2.039 -1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.539 -0.171 -2.829 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.968 -0.836 -4.346 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.346 -1.063 -4.574 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.306 1.473 -1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.310 0.295 -4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.279 2.841 -1.583 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.271 2.255 -2.891 1.00 0.00 H new ATOM 1760 N LEU A 110 4.798 -3.280 -3.758 1.00 0.00 N ATOM 1761 CA LEU A 110 4.220 -4.214 -4.708 1.00 0.00 C ATOM 1762 C LEU A 110 3.005 -3.614 -5.411 1.00 0.00 C ATOM 1763 O LEU A 110 2.055 -3.153 -4.776 1.00 0.00 O ATOM 1764 CB LEU A 110 3.860 -5.527 -3.995 1.00 0.00 C ATOM 1765 CG LEU A 110 2.877 -6.464 -4.715 1.00 0.00 C ATOM 1766 CD1 LEU A 110 1.443 -6.025 -4.476 1.00 0.00 C ATOM 1767 CD2 LEU A 110 3.181 -6.545 -6.206 1.00 0.00 C ATOM 0 H LEU A 110 4.117 -2.794 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 110 4.961 -4.427 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.783 -6.078 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.440 -5.279 -3.020 1.00 0.00 H new ATOM 0 HG LEU A 110 3.001 -7.463 -4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.764 -6.702 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.230 -6.045 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.305 -5.012 -4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.468 -7.215 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.100 -5.552 -6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.192 -6.926 -6.351 1.00 0.00 H new ATOM 1779 N ALA A 111 3.055 -3.662 -6.735 1.00 0.00 N ATOM 1780 CA ALA A 111 1.983 -3.178 -7.599 1.00 0.00 C ATOM 1781 C ALA A 111 1.567 -4.327 -8.505 1.00 0.00 C ATOM 1782 O ALA A 111 2.159 -4.549 -9.560 1.00 0.00 O ATOM 1783 CB ALA A 111 2.439 -1.962 -8.394 1.00 0.00 C ATOM 0 H ALA A 111 3.851 -4.043 -7.247 1.00 0.00 H new ATOM 0 HA ALA A 111 1.127 -2.853 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.625 -1.618 -9.031 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.725 -1.165 -7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.295 -2.232 -9.013 1.00 0.00 H new ATOM 1789 N ILE A 112 0.605 -5.104 -8.031 1.00 0.00 N ATOM 1790 CA ILE A 112 0.153 -6.311 -8.733 1.00 0.00 C ATOM 1791 C ILE A 112 -0.255 -6.119 -10.205 1.00 0.00 C ATOM 1792 O ILE A 112 0.173 -6.897 -11.059 1.00 0.00 O ATOM 1793 CB ILE A 112 -0.989 -6.986 -7.946 1.00 0.00 C ATOM 1794 CG1 ILE A 112 -0.386 -7.795 -6.800 1.00 0.00 C ATOM 1795 CG2 ILE A 112 -1.841 -7.877 -8.844 1.00 0.00 C ATOM 1796 CD1 ILE A 112 -1.045 -7.558 -5.466 1.00 0.00 C ATOM 0 H ILE A 112 0.114 -4.924 -7.155 1.00 0.00 H new ATOM 0 HA ILE A 112 1.033 -6.954 -8.774 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.647 -6.214 -7.548 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.454 -8.855 -7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 112 0.674 -7.554 -6.718 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -2.635 -8.335 -8.254 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.281 -7.277 -9.640 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -1.217 -8.657 -9.280 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.559 -8.170 -4.706 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.955 -6.505 -5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.099 -7.827 -5.528 1.00 0.00 H new ATOM 1808 N ASN A 113 -1.105 -5.140 -10.503 1.00 0.00 N ATOM 1809 CA ASN A 113 -1.585 -4.938 -11.878 1.00 0.00 C ATOM 1810 C ASN A 113 -0.606 -4.169 -12.782 1.00 0.00 C ATOM 1811 O ASN A 113 -1.041 -3.465 -13.693 1.00 0.00 O ATOM 1812 CB ASN A 113 -2.943 -4.224 -11.853 1.00 0.00 C ATOM 1813 CG ASN A 113 -4.060 -5.081 -12.419 1.00 0.00 C ATOM 1814 OD1 ASN A 113 -4.167 -5.258 -13.632 1.00 0.00 O ATOM 1815 ND2 ASN A 113 -4.901 -5.617 -11.541 1.00 0.00 N ATOM 0 H ASN A 113 -1.476 -4.477 -9.822 1.00 0.00 H new ATOM 0 HA ASN A 113 -1.678 -5.932 -12.315 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -3.186 -3.947 -10.827 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -2.874 -3.299 -12.425 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -5.672 -6.201 -11.864 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -4.775 -5.444 -10.544 1.00 0.00 H new ATOM 1822 N ASN A 114 0.706 -4.318 -12.558 1.00 0.00 N ATOM 1823 CA ASN A 114 1.711 -3.637 -13.390 1.00 0.00 C ATOM 1824 C ASN A 114 3.122 -3.799 -12.821 1.00 0.00 C ATOM 1825 O ASN A 114 3.329 -4.507 -11.838 1.00 0.00 O ATOM 1826 CB ASN A 114 1.384 -2.147 -13.531 1.00 0.00 C ATOM 1827 CG ASN A 114 1.207 -1.730 -14.982 1.00 0.00 C ATOM 1828 OD1 ASN A 114 2.177 -1.636 -15.734 1.00 0.00 O ATOM 1829 ND2 ASN A 114 -0.035 -1.480 -15.385 1.00 0.00 N ATOM 0 H ASN A 114 1.096 -4.898 -11.815 1.00 0.00 H new ATOM 0 HA ASN A 114 1.681 -4.107 -14.373 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.472 -1.923 -12.977 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.183 -1.558 -13.081 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -0.211 -1.199 -16.349 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -0.812 -1.570 -14.730 1.00 0.00 H new ATOM 1836 N SER A 115 4.089 -3.127 -13.451 1.00 0.00 N ATOM 1837 CA SER A 115 5.481 -3.181 -13.013 1.00 0.00 C ATOM 1838 C SER A 115 5.752 -2.090 -11.978 1.00 0.00 C ATOM 1839 O SER A 115 5.786 -0.903 -12.309 1.00 0.00 O ATOM 1840 CB SER A 115 6.420 -3.018 -14.210 1.00 0.00 C ATOM 1841 OG SER A 115 6.435 -4.188 -15.009 1.00 0.00 O ATOM 0 H SER A 115 3.930 -2.538 -14.268 1.00 0.00 H new ATOM 0 HA SER A 115 5.665 -4.153 -12.554 1.00 0.00 H new ATOM 0 HB2 SER A 115 6.102 -2.167 -14.812 1.00 0.00 H new ATOM 0 HB3 SER A 115 7.429 -2.801 -13.858 1.00 0.00 H new ATOM 0 HG SER A 115 7.041 -4.058 -15.768 1.00 0.00 H new ATOM 1847 N ILE A 116 5.923 -2.500 -10.720 1.00 0.00 N ATOM 1848 CA ILE A 116 6.167 -1.558 -9.630 1.00 0.00 C ATOM 1849 C ILE A 116 7.481 -0.791 -9.811 1.00 0.00 C ATOM 1850 O ILE A 116 7.502 0.433 -9.697 1.00 0.00 O ATOM 1851 CB ILE A 116 6.136 -2.268 -8.250 1.00 0.00 C ATOM 1852 CG1 ILE A 116 5.472 -1.370 -7.201 1.00 0.00 C ATOM 1853 CG2 ILE A 116 7.530 -2.677 -7.794 1.00 0.00 C ATOM 1854 CD1 ILE A 116 6.253 -0.111 -6.889 1.00 0.00 C ATOM 0 H ILE A 116 5.897 -3.478 -10.432 1.00 0.00 H new ATOM 0 HA ILE A 116 5.356 -0.830 -9.660 1.00 0.00 H new ATOM 0 HB ILE A 116 5.546 -3.178 -8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.478 -1.092 -7.552 1.00 0.00 H new ATOM 0 HG13 ILE A 116 5.338 -1.940 -6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.465 -3.171 -6.824 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.964 -3.362 -8.522 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.160 -1.791 -7.709 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.719 0.472 -6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 116 7.238 -0.379 -6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.365 0.482 -7.797 1.00 0.00 H new ATOM 1866 N ASP A 117 8.571 -1.511 -10.085 1.00 0.00 N ATOM 1867 CA ASP A 117 9.881 -0.880 -10.268 1.00 0.00 C ATOM 1868 C ASP A 117 10.953 -1.905 -10.659 1.00 0.00 C ATOM 1869 O ASP A 117 12.113 -1.776 -10.266 1.00 0.00 O ATOM 1870 CB ASP A 117 10.299 -0.170 -8.975 1.00 0.00 C ATOM 1871 CG ASP A 117 10.811 1.232 -9.226 1.00 0.00 C ATOM 1872 OD1 ASP A 117 9.989 2.169 -9.225 1.00 0.00 O ATOM 1873 OD2 ASP A 117 12.033 1.393 -9.422 1.00 0.00 O ATOM 0 H ASP A 117 8.574 -2.526 -10.185 1.00 0.00 H new ATOM 0 HA ASP A 117 9.793 -0.157 -11.079 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.447 -0.127 -8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.074 -0.753 -8.478 1.00 0.00 H new