USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 702 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 57 ASN : amide:sc= -4.35! C(o=-11!,f=-18!) USER MOD Set 1.2: A 59 ASN : amide:sc= -6.4! C(o=-11!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 162:sc= 0.541 (180deg=-0.2) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -140:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -4.77 K(o=-4.8,f=-7!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 15:sc= -2.65! USER MOD Single : A 27 ASN : amide:sc=-0.000907 X(o=-0.00091,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.169 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 170:sc= -0.488 USER MOD Single : A 47 THR OG1 : rot -123:sc= 1.14 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -15:sc= 0.985 USER MOD Single : A 64 HIS : no HD1:sc=-0.00121 X(o=-0.0012,f=-0.12) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 78 MET CE :methyl 142:sc= -2.23 (180deg=-3.97!) USER MOD Single : A 82 ASN : amide:sc= -0.0592 K(o=-0.059,f=-0.63) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.28 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.308 10.736 -10.030 1.00 0.00 N ATOM 2 CA GLY A 1 -5.096 10.476 -10.788 1.00 0.00 C ATOM 3 C GLY A 1 -5.221 9.182 -11.594 1.00 0.00 C ATOM 4 O GLY A 1 -5.688 8.167 -11.079 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.105 11.422 -9.276 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.037 11.123 -10.663 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.651 9.849 -9.608 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.898 11.310 -11.461 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.246 10.405 -10.109 1.00 0.00 H new ATOM 8 N SER A 2 -4.796 9.258 -12.846 1.00 0.00 N ATOM 9 CA SER A 2 -4.854 8.105 -13.729 1.00 0.00 C ATOM 10 C SER A 2 -3.451 7.765 -14.238 1.00 0.00 C ATOM 11 O SER A 2 -2.973 6.647 -14.051 1.00 0.00 O ATOM 12 CB SER A 2 -5.799 8.359 -14.904 1.00 0.00 C ATOM 13 OG SER A 2 -7.089 7.797 -14.684 1.00 0.00 O ATOM 0 H SER A 2 -4.410 10.101 -13.271 1.00 0.00 H new ATOM 0 HA SER A 2 -5.243 7.259 -13.163 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.894 9.433 -15.067 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.370 7.936 -15.812 1.00 0.00 H new ATOM 0 HG SER A 2 -7.663 7.983 -15.456 1.00 0.00 H new ATOM 19 N SER A 3 -2.832 8.749 -14.873 1.00 0.00 N ATOM 20 CA SER A 3 -1.495 8.569 -15.410 1.00 0.00 C ATOM 21 C SER A 3 -0.720 9.887 -15.344 1.00 0.00 C ATOM 22 O SER A 3 -1.306 10.961 -15.470 1.00 0.00 O ATOM 23 CB SER A 3 -1.545 8.055 -16.851 1.00 0.00 C ATOM 24 OG SER A 3 -2.436 8.819 -17.659 1.00 0.00 O ATOM 0 H SER A 3 -3.232 9.674 -15.028 1.00 0.00 H new ATOM 0 HA SER A 3 -0.982 7.823 -14.803 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.545 8.088 -17.283 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.858 7.011 -16.853 1.00 0.00 H new ATOM 0 HG SER A 3 -2.439 8.461 -18.571 1.00 0.00 H new ATOM 30 N GLY A 4 0.584 9.761 -15.145 1.00 0.00 N ATOM 31 CA GLY A 4 1.443 10.929 -15.061 1.00 0.00 C ATOM 32 C GLY A 4 1.689 11.325 -13.603 1.00 0.00 C ATOM 33 O GLY A 4 0.784 11.811 -12.927 1.00 0.00 O ATOM 0 H GLY A 4 1.066 8.868 -15.040 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.394 10.721 -15.551 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.985 11.761 -15.595 1.00 0.00 H new ATOM 37 N SER A 5 2.918 11.099 -13.162 1.00 0.00 N ATOM 38 CA SER A 5 3.295 11.425 -11.797 1.00 0.00 C ATOM 39 C SER A 5 2.319 10.774 -10.815 1.00 0.00 C ATOM 40 O SER A 5 1.319 11.380 -10.435 1.00 0.00 O ATOM 41 CB SER A 5 3.331 12.939 -11.583 1.00 0.00 C ATOM 42 OG SER A 5 4.479 13.536 -12.181 1.00 0.00 O ATOM 0 H SER A 5 3.665 10.694 -13.726 1.00 0.00 H new ATOM 0 HA SER A 5 4.297 11.035 -11.616 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.430 13.386 -12.003 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.326 13.154 -10.514 1.00 0.00 H new ATOM 0 HG SER A 5 4.464 14.503 -12.024 1.00 0.00 H new ATOM 48 N SER A 6 2.645 9.548 -10.433 1.00 0.00 N ATOM 49 CA SER A 6 1.810 8.807 -9.502 1.00 0.00 C ATOM 50 C SER A 6 2.679 8.142 -8.434 1.00 0.00 C ATOM 51 O SER A 6 3.080 6.988 -8.584 1.00 0.00 O ATOM 52 CB SER A 6 0.968 7.758 -10.232 1.00 0.00 C ATOM 53 OG SER A 6 -0.049 8.351 -11.033 1.00 0.00 O ATOM 0 H SER A 6 3.476 9.049 -10.751 1.00 0.00 H new ATOM 0 HA SER A 6 1.129 9.509 -9.020 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.616 7.148 -10.862 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.511 7.089 -9.503 1.00 0.00 H new ATOM 0 HG SER A 6 -0.872 7.823 -10.961 1.00 0.00 H new ATOM 59 N GLY A 7 2.944 8.897 -7.378 1.00 0.00 N ATOM 60 CA GLY A 7 3.759 8.396 -6.285 1.00 0.00 C ATOM 61 C GLY A 7 2.921 7.563 -5.313 1.00 0.00 C ATOM 62 O GLY A 7 3.312 6.459 -4.938 1.00 0.00 O ATOM 0 H GLY A 7 2.608 9.852 -7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.572 7.789 -6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.215 9.232 -5.754 1.00 0.00 H new ATOM 66 N LEU A 8 1.782 8.125 -4.934 1.00 0.00 N ATOM 67 CA LEU A 8 0.884 7.448 -4.013 1.00 0.00 C ATOM 68 C LEU A 8 0.763 5.977 -4.415 1.00 0.00 C ATOM 69 O LEU A 8 0.982 5.086 -3.595 1.00 0.00 O ATOM 70 CB LEU A 8 -0.458 8.178 -3.941 1.00 0.00 C ATOM 71 CG LEU A 8 -0.413 9.615 -3.419 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.551 10.449 -4.011 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.416 9.645 -1.890 1.00 0.00 C ATOM 0 H LEU A 8 1.461 9.041 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 8 1.288 7.470 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.897 8.189 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.129 7.602 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 8 0.523 10.068 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.496 11.466 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.461 10.469 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.508 10.007 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.384 10.679 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.323 9.167 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.456 9.110 -1.514 1.00 0.00 H new ATOM 85 N ARG A 9 0.415 5.767 -5.675 1.00 0.00 N ATOM 86 CA ARG A 9 0.262 4.419 -6.195 1.00 0.00 C ATOM 87 C ARG A 9 1.343 3.502 -5.621 1.00 0.00 C ATOM 88 O ARG A 9 1.038 2.547 -4.906 1.00 0.00 O ATOM 89 CB ARG A 9 0.350 4.404 -7.723 1.00 0.00 C ATOM 90 CG ARG A 9 -0.144 3.071 -8.288 1.00 0.00 C ATOM 91 CD ARG A 9 -1.464 3.249 -9.041 1.00 0.00 C ATOM 92 NE ARG A 9 -1.317 4.296 -10.078 1.00 0.00 N ATOM 93 CZ ARG A 9 -2.293 4.659 -10.920 1.00 0.00 C ATOM 94 NH1 ARG A 9 -3.492 4.065 -10.854 1.00 0.00 N ATOM 95 NH2 ARG A 9 -2.071 5.619 -11.829 1.00 0.00 N ATOM 0 H ARG A 9 0.234 6.508 -6.352 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.722 4.059 -5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.245 5.220 -8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.381 4.575 -8.033 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.608 2.655 -8.959 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.278 2.355 -7.477 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.759 2.307 -9.503 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.256 3.524 -8.344 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.417 4.770 -10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.662 3.335 -10.162 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.235 4.342 -11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.159 6.073 -11.879 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.814 5.896 -12.470 1.00 0.00 H new ATOM 109 N GLU A 10 2.585 3.824 -5.952 1.00 0.00 N ATOM 110 CA GLU A 10 3.713 3.042 -5.478 1.00 0.00 C ATOM 111 C GLU A 10 3.629 2.854 -3.961 1.00 0.00 C ATOM 112 O GLU A 10 3.726 1.734 -3.464 1.00 0.00 O ATOM 113 CB GLU A 10 5.039 3.694 -5.876 1.00 0.00 C ATOM 114 CG GLU A 10 5.666 2.974 -7.072 1.00 0.00 C ATOM 115 CD GLU A 10 7.192 3.079 -7.037 1.00 0.00 C ATOM 116 OE1 GLU A 10 7.808 2.193 -6.407 1.00 0.00 O ATOM 117 OE2 GLU A 10 7.707 4.044 -7.643 1.00 0.00 O ATOM 0 H GLU A 10 2.834 4.617 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 10 3.672 2.060 -5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.873 4.742 -6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.728 3.671 -5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.370 1.925 -7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.289 3.406 -7.999 1.00 0.00 H new ATOM 124 N GLN A 11 3.450 3.969 -3.268 1.00 0.00 N ATOM 125 CA GLN A 11 3.352 3.942 -1.819 1.00 0.00 C ATOM 126 C GLN A 11 2.357 2.868 -1.375 1.00 0.00 C ATOM 127 O GLN A 11 2.648 2.083 -0.474 1.00 0.00 O ATOM 128 CB GLN A 11 2.958 5.315 -1.270 1.00 0.00 C ATOM 129 CG GLN A 11 4.003 6.372 -1.635 1.00 0.00 C ATOM 130 CD GLN A 11 4.121 7.429 -0.535 1.00 0.00 C ATOM 131 OE1 GLN A 11 4.972 7.362 0.336 1.00 0.00 O ATOM 132 NE2 GLN A 11 3.222 8.405 -0.626 1.00 0.00 N ATOM 0 H GLN A 11 3.370 4.897 -3.684 1.00 0.00 H new ATOM 0 HA GLN A 11 4.332 3.693 -1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.987 5.606 -1.670 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.853 5.261 -0.186 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.970 5.894 -1.790 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.729 6.850 -2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.537 8.399 -1.382 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.217 9.160 0.060 1.00 0.00 H new ATOM 141 N VAL A 12 1.204 2.868 -2.027 1.00 0.00 N ATOM 142 CA VAL A 12 0.164 1.904 -1.711 1.00 0.00 C ATOM 143 C VAL A 12 0.673 0.494 -2.016 1.00 0.00 C ATOM 144 O VAL A 12 0.459 -0.430 -1.233 1.00 0.00 O ATOM 145 CB VAL A 12 -1.120 2.253 -2.465 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.110 1.086 -2.431 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.756 3.527 -1.906 1.00 0.00 C ATOM 0 H VAL A 12 0.967 3.521 -2.774 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.080 1.939 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.856 2.439 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.014 1.360 -2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.657 0.211 -2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.364 0.855 -1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.667 3.752 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.998 3.381 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.056 4.357 -2.006 1.00 0.00 H new ATOM 157 N LYS A 13 1.337 0.373 -3.156 1.00 0.00 N ATOM 158 CA LYS A 13 1.878 -0.909 -3.575 1.00 0.00 C ATOM 159 C LYS A 13 2.723 -1.496 -2.441 1.00 0.00 C ATOM 160 O LYS A 13 2.454 -2.601 -1.971 1.00 0.00 O ATOM 161 CB LYS A 13 2.637 -0.765 -4.896 1.00 0.00 C ATOM 162 CG LYS A 13 1.684 -0.863 -6.088 1.00 0.00 C ATOM 163 CD LYS A 13 2.311 -0.252 -7.343 1.00 0.00 C ATOM 164 CE LYS A 13 2.110 -1.163 -8.556 1.00 0.00 C ATOM 165 NZ LYS A 13 3.333 -1.195 -9.389 1.00 0.00 N ATOM 0 H LYS A 13 1.513 1.142 -3.803 1.00 0.00 H new ATOM 0 HA LYS A 13 1.072 -1.616 -3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.156 0.193 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.398 -1.542 -4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.434 -1.908 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.751 -0.349 -5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.865 0.723 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.376 -0.089 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.863 -2.171 -8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.268 -0.807 -9.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.179 -1.818 -10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.552 -0.234 -9.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.128 -1.556 -8.824 1.00 0.00 H new ATOM 179 N GLU A 14 3.726 -0.732 -2.037 1.00 0.00 N ATOM 180 CA GLU A 14 4.611 -1.161 -0.968 1.00 0.00 C ATOM 181 C GLU A 14 3.814 -1.409 0.314 1.00 0.00 C ATOM 182 O GLU A 14 4.148 -2.299 1.095 1.00 0.00 O ATOM 183 CB GLU A 14 5.725 -0.139 -0.733 1.00 0.00 C ATOM 184 CG GLU A 14 6.868 -0.334 -1.731 1.00 0.00 C ATOM 185 CD GLU A 14 7.959 -1.232 -1.145 1.00 0.00 C ATOM 186 OE1 GLU A 14 7.585 -2.207 -0.459 1.00 0.00 O ATOM 187 OE2 GLU A 14 9.144 -0.922 -1.396 1.00 0.00 O ATOM 0 H GLU A 14 3.946 0.183 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 14 5.081 -2.098 -1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.323 0.870 -0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.105 -0.237 0.284 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.482 -0.776 -2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.293 0.634 -1.997 1.00 0.00 H new ATOM 194 N LEU A 15 2.775 -0.606 0.491 1.00 0.00 N ATOM 195 CA LEU A 15 1.928 -0.727 1.665 1.00 0.00 C ATOM 196 C LEU A 15 1.348 -2.142 1.728 1.00 0.00 C ATOM 197 O LEU A 15 1.681 -2.913 2.627 1.00 0.00 O ATOM 198 CB LEU A 15 0.864 0.374 1.674 1.00 0.00 C ATOM 199 CG LEU A 15 -0.467 0.015 2.337 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.317 -0.069 3.858 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.567 0.994 1.924 1.00 0.00 C ATOM 0 H LEU A 15 2.501 0.131 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 15 2.513 -0.581 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.276 1.246 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.666 0.669 0.643 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.767 -0.973 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.278 -0.326 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.416 -0.835 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.017 0.894 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.503 0.716 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.288 2.003 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.696 0.961 0.842 1.00 0.00 H new ATOM 213 N PHE A 16 0.492 -2.439 0.762 1.00 0.00 N ATOM 214 CA PHE A 16 -0.136 -3.748 0.695 1.00 0.00 C ATOM 215 C PHE A 16 0.910 -4.863 0.763 1.00 0.00 C ATOM 216 O PHE A 16 0.697 -5.881 1.418 1.00 0.00 O ATOM 217 CB PHE A 16 -0.864 -3.828 -0.648 1.00 0.00 C ATOM 218 CG PHE A 16 -2.246 -3.172 -0.647 1.00 0.00 C ATOM 219 CD1 PHE A 16 -3.171 -3.537 0.280 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.549 -2.224 -1.574 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.454 -2.929 0.281 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.832 -1.616 -1.574 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.758 -1.980 -0.646 1.00 0.00 C ATOM 0 H PHE A 16 0.218 -1.796 0.019 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.819 -3.876 1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.248 -3.353 -1.412 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.971 -4.875 -0.930 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.930 -4.290 1.016 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.814 -1.934 -2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.189 -3.220 1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.073 -0.864 -2.311 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.733 -1.516 -0.645 1.00 0.00 H new ATOM 233 N ASN A 17 2.019 -4.631 0.074 1.00 0.00 N ATOM 234 CA ASN A 17 3.098 -5.603 0.048 1.00 0.00 C ATOM 235 C ASN A 17 3.713 -5.716 1.444 1.00 0.00 C ATOM 236 O ASN A 17 4.039 -6.813 1.897 1.00 0.00 O ATOM 237 CB ASN A 17 4.202 -5.174 -0.921 1.00 0.00 C ATOM 238 CG ASN A 17 3.670 -5.078 -2.352 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.485 -4.916 -2.591 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.609 -5.187 -3.287 1.00 0.00 N ATOM 0 H ASN A 17 2.193 -3.785 -0.469 1.00 0.00 H new ATOM 0 HA ASN A 17 2.683 -6.557 -0.276 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.605 -4.209 -0.614 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.023 -5.890 -0.882 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.355 -5.136 -4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.584 -5.321 -3.018 1.00 0.00 H new ATOM 247 N GLU A 18 3.850 -4.567 2.090 1.00 0.00 N ATOM 248 CA GLU A 18 4.420 -4.523 3.426 1.00 0.00 C ATOM 249 C GLU A 18 3.550 -5.322 4.400 1.00 0.00 C ATOM 250 O GLU A 18 4.060 -6.127 5.177 1.00 0.00 O ATOM 251 CB GLU A 18 4.590 -3.079 3.902 1.00 0.00 C ATOM 252 CG GLU A 18 5.730 -2.386 3.152 1.00 0.00 C ATOM 253 CD GLU A 18 6.995 -2.327 4.012 1.00 0.00 C ATOM 254 OE1 GLU A 18 7.103 -1.358 4.795 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.825 -3.250 3.866 1.00 0.00 O ATOM 0 H GLU A 18 3.576 -3.660 1.713 1.00 0.00 H new ATOM 0 HA GLU A 18 5.409 -4.979 3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.661 -2.530 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.794 -3.067 4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.940 -2.922 2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.427 -1.376 2.874 1.00 0.00 H new ATOM 262 N LYS A 19 2.251 -5.071 4.325 1.00 0.00 N ATOM 263 CA LYS A 19 1.306 -5.757 5.191 1.00 0.00 C ATOM 264 C LYS A 19 1.465 -7.268 5.016 1.00 0.00 C ATOM 265 O LYS A 19 1.686 -7.989 5.987 1.00 0.00 O ATOM 266 CB LYS A 19 -0.116 -5.254 4.935 1.00 0.00 C ATOM 267 CG LYS A 19 -0.244 -3.770 5.282 1.00 0.00 C ATOM 268 CD LYS A 19 -0.264 -3.561 6.797 1.00 0.00 C ATOM 269 CE LYS A 19 0.295 -2.185 7.169 1.00 0.00 C ATOM 270 NZ LYS A 19 1.504 -2.328 8.012 1.00 0.00 N ATOM 0 H LYS A 19 1.831 -4.403 3.679 1.00 0.00 H new ATOM 0 HA LYS A 19 1.515 -5.534 6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.378 -5.410 3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.823 -5.832 5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.589 -3.218 4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.157 -3.368 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.285 -3.655 7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.324 -4.340 7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.539 -1.628 6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.462 -1.610 7.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.871 -1.386 8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.261 -2.841 8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.231 -2.858 7.490 1.00 0.00 H new ATOM 284 N TYR A 20 1.345 -7.703 3.771 1.00 0.00 N ATOM 285 CA TYR A 20 1.473 -9.116 3.455 1.00 0.00 C ATOM 286 C TYR A 20 2.692 -9.725 4.152 1.00 0.00 C ATOM 287 O TYR A 20 2.584 -10.758 4.810 1.00 0.00 O ATOM 288 CB TYR A 20 1.674 -9.194 1.941 1.00 0.00 C ATOM 289 CG TYR A 20 1.131 -10.477 1.306 1.00 0.00 C ATOM 290 CD1 TYR A 20 -0.164 -10.878 1.560 1.00 0.00 C ATOM 291 CD2 TYR A 20 1.938 -11.234 0.481 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.675 -12.085 0.963 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.429 -12.441 -0.115 1.00 0.00 C ATOM 294 CZ TYR A 20 0.147 -12.806 0.154 1.00 0.00 C ATOM 295 OH TYR A 20 -0.335 -13.947 -0.409 1.00 0.00 O ATOM 0 H TYR A 20 1.160 -7.102 2.968 1.00 0.00 H new ATOM 0 HA TYR A 20 0.592 -9.665 3.788 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.188 -8.337 1.476 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.739 -9.115 1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.795 -10.287 2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.952 -10.920 0.283 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.687 -12.410 1.153 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.051 -13.043 -0.761 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.312 -13.964 -0.329 1.00 0.00 H new ATOM 305 N GLY A 21 3.824 -9.058 3.984 1.00 0.00 N ATOM 306 CA GLY A 21 5.062 -9.520 4.587 1.00 0.00 C ATOM 307 C GLY A 21 4.887 -9.749 6.090 1.00 0.00 C ATOM 308 O GLY A 21 5.131 -10.847 6.588 1.00 0.00 O ATOM 0 H GLY A 21 3.910 -8.200 3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.380 -10.446 4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.850 -8.786 4.416 1.00 0.00 H new ATOM 312 N GLU A 22 4.465 -8.693 6.772 1.00 0.00 N ATOM 313 CA GLU A 22 4.254 -8.765 8.208 1.00 0.00 C ATOM 314 C GLU A 22 3.258 -9.877 8.543 1.00 0.00 C ATOM 315 O GLU A 22 3.438 -10.601 9.521 1.00 0.00 O ATOM 316 CB GLU A 22 3.781 -7.419 8.760 1.00 0.00 C ATOM 317 CG GLU A 22 4.710 -6.287 8.316 1.00 0.00 C ATOM 318 CD GLU A 22 4.925 -5.279 9.447 1.00 0.00 C ATOM 319 OE1 GLU A 22 4.078 -4.368 9.565 1.00 0.00 O ATOM 320 OE2 GLU A 22 5.933 -5.443 10.169 1.00 0.00 O ATOM 0 H GLU A 22 4.264 -7.784 6.356 1.00 0.00 H new ATOM 0 HA GLU A 22 5.205 -9.001 8.685 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.766 -7.217 8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.747 -7.460 9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.670 -6.700 8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.284 -5.781 7.449 1.00 0.00 H new ATOM 327 N ALA A 23 2.230 -9.976 7.714 1.00 0.00 N ATOM 328 CA ALA A 23 1.206 -10.987 7.910 1.00 0.00 C ATOM 329 C ALA A 23 1.820 -12.374 7.720 1.00 0.00 C ATOM 330 O ALA A 23 1.436 -13.327 8.397 1.00 0.00 O ATOM 331 CB ALA A 23 0.041 -10.728 6.950 1.00 0.00 C ATOM 0 H ALA A 23 2.084 -9.372 6.905 1.00 0.00 H new ATOM 0 HA ALA A 23 0.810 -10.939 8.924 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.727 -11.487 7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.380 -9.742 7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.400 -10.770 5.922 1.00 0.00 H new ATOM 337 N LEU A 24 2.766 -12.446 6.793 1.00 0.00 N ATOM 338 CA LEU A 24 3.438 -13.701 6.505 1.00 0.00 C ATOM 339 C LEU A 24 4.384 -14.044 7.657 1.00 0.00 C ATOM 340 O LEU A 24 4.978 -15.121 7.678 1.00 0.00 O ATOM 341 CB LEU A 24 4.127 -13.639 5.140 1.00 0.00 C ATOM 342 CG LEU A 24 3.207 -13.708 3.921 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.742 -12.840 2.780 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.985 -15.157 3.483 1.00 0.00 C ATOM 0 H LEU A 24 3.082 -11.655 6.232 1.00 0.00 H new ATOM 0 HA LEU A 24 2.715 -14.513 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.700 -12.713 5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.841 -14.460 5.078 1.00 0.00 H new ATOM 0 HG LEU A 24 2.235 -13.304 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.069 -12.907 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.806 -11.803 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.733 -13.190 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.327 -15.178 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.942 -15.610 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.527 -15.717 4.298 1.00 0.00 H new ATOM 356 N GLY A 25 4.495 -13.109 8.589 1.00 0.00 N ATOM 357 CA GLY A 25 5.360 -13.298 9.741 1.00 0.00 C ATOM 358 C GLY A 25 6.829 -13.106 9.362 1.00 0.00 C ATOM 359 O GLY A 25 7.723 -13.533 10.092 1.00 0.00 O ATOM 0 H GLY A 25 4.000 -12.218 8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.088 -12.591 10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.214 -14.298 10.149 1.00 0.00 H new ATOM 363 N LEU A 26 7.034 -12.464 8.222 1.00 0.00 N ATOM 364 CA LEU A 26 8.380 -12.210 7.737 1.00 0.00 C ATOM 365 C LEU A 26 8.819 -10.811 8.174 1.00 0.00 C ATOM 366 O LEU A 26 8.121 -10.148 8.939 1.00 0.00 O ATOM 367 CB LEU A 26 8.456 -12.434 6.225 1.00 0.00 C ATOM 368 CG LEU A 26 7.652 -13.617 5.682 1.00 0.00 C ATOM 369 CD1 LEU A 26 7.795 -13.724 4.162 1.00 0.00 C ATOM 370 CD2 LEU A 26 8.043 -14.917 6.388 1.00 0.00 C ATOM 0 H LEU A 26 6.290 -12.112 7.619 1.00 0.00 H new ATOM 0 HA LEU A 26 9.083 -12.917 8.177 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.114 -11.528 5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.502 -12.574 5.950 1.00 0.00 H new ATOM 0 HG LEU A 26 6.598 -13.441 5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.214 -14.573 3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.428 -12.809 3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.844 -13.867 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.457 -15.742 5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.103 -15.113 6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.848 -14.824 7.456 1.00 0.00 H new ATOM 382 N ASN A 27 9.975 -10.404 7.669 1.00 0.00 N ATOM 383 CA ASN A 27 10.516 -9.097 7.998 1.00 0.00 C ATOM 384 C ASN A 27 10.791 -8.323 6.707 1.00 0.00 C ATOM 385 O ASN A 27 11.621 -7.416 6.687 1.00 0.00 O ATOM 386 CB ASN A 27 11.835 -9.222 8.763 1.00 0.00 C ATOM 387 CG ASN A 27 11.736 -8.562 10.140 1.00 0.00 C ATOM 388 OD1 ASN A 27 11.529 -7.367 10.271 1.00 0.00 O ATOM 389 ND2 ASN A 27 11.893 -9.405 11.156 1.00 0.00 N ATOM 0 H ASN A 27 10.551 -10.957 7.035 1.00 0.00 H new ATOM 0 HA ASN A 27 9.786 -8.578 8.620 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.094 -10.274 8.878 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.637 -8.757 8.190 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.843 -9.062 12.115 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.064 -10.394 10.976 1.00 0.00 H new ATOM 396 N ARG A 28 10.077 -8.711 5.659 1.00 0.00 N ATOM 397 CA ARG A 28 10.233 -8.066 4.367 1.00 0.00 C ATOM 398 C ARG A 28 8.883 -7.969 3.656 1.00 0.00 C ATOM 399 O ARG A 28 8.001 -8.798 3.874 1.00 0.00 O ATOM 400 CB ARG A 28 11.214 -8.838 3.482 1.00 0.00 C ATOM 401 CG ARG A 28 10.850 -10.322 3.424 1.00 0.00 C ATOM 402 CD ARG A 28 11.818 -11.090 2.522 1.00 0.00 C ATOM 403 NE ARG A 28 12.401 -12.232 3.260 1.00 0.00 N ATOM 404 CZ ARG A 28 13.307 -13.075 2.746 1.00 0.00 C ATOM 405 NH1 ARG A 28 13.741 -12.908 1.489 1.00 0.00 N ATOM 406 NH2 ARG A 28 13.781 -14.085 3.489 1.00 0.00 N ATOM 0 H ARG A 28 9.389 -9.464 5.679 1.00 0.00 H new ATOM 0 HA ARG A 28 10.628 -7.065 4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.208 -8.419 2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.226 -8.723 3.869 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.871 -10.745 4.429 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.832 -10.436 3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.295 -11.449 1.635 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.611 -10.426 2.178 1.00 0.00 H new ATOM 0 HE ARG A 28 12.094 -12.387 4.220 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.382 -12.139 0.923 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.431 -13.550 1.098 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.452 -14.212 4.446 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.471 -14.726 3.097 1.00 0.00 H new ATOM 420 N PRO A 29 8.759 -6.922 2.797 1.00 0.00 N ATOM 421 CA PRO A 29 7.531 -6.705 2.052 1.00 0.00 C ATOM 422 C PRO A 29 7.402 -7.707 0.902 1.00 0.00 C ATOM 423 O PRO A 29 8.333 -7.877 0.116 1.00 0.00 O ATOM 424 CB PRO A 29 7.608 -5.263 1.576 1.00 0.00 C ATOM 425 CG PRO A 29 9.073 -4.870 1.673 1.00 0.00 C ATOM 426 CD PRO A 29 9.783 -5.920 2.513 1.00 0.00 C ATOM 0 HA PRO A 29 6.639 -6.864 2.658 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.246 -5.170 0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.988 -4.614 2.194 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.519 -4.810 0.680 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.175 -3.885 2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.625 -6.355 1.974 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.181 -5.489 3.432 1.00 0.00 H new ATOM 434 N VAL A 30 6.243 -8.345 0.843 1.00 0.00 N ATOM 435 CA VAL A 30 5.981 -9.325 -0.197 1.00 0.00 C ATOM 436 C VAL A 30 4.733 -8.911 -0.980 1.00 0.00 C ATOM 437 O VAL A 30 3.766 -8.422 -0.399 1.00 0.00 O ATOM 438 CB VAL A 30 5.865 -10.722 0.418 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.398 -11.742 -0.622 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.188 -11.152 1.053 1.00 0.00 C ATOM 0 H VAL A 30 5.475 -8.203 1.498 1.00 0.00 H new ATOM 0 HA VAL A 30 6.810 -9.363 -0.904 1.00 0.00 H new ATOM 0 HB VAL A 30 5.113 -10.680 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.324 -12.726 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.422 -11.448 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.115 -11.780 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.079 -12.148 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.968 -11.169 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.461 -10.446 1.838 1.00 0.00 H new ATOM 450 N LEU A 31 4.795 -9.125 -2.285 1.00 0.00 N ATOM 451 CA LEU A 31 3.682 -8.781 -3.154 1.00 0.00 C ATOM 452 C LEU A 31 2.427 -9.518 -2.685 1.00 0.00 C ATOM 453 O LEU A 31 2.521 -10.550 -2.020 1.00 0.00 O ATOM 454 CB LEU A 31 4.041 -9.047 -4.617 1.00 0.00 C ATOM 455 CG LEU A 31 4.763 -7.912 -5.347 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.573 -8.449 -6.529 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.779 -6.821 -5.775 1.00 0.00 C ATOM 0 H LEU A 31 5.599 -9.533 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 31 3.467 -7.714 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.668 -9.937 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.124 -9.276 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 31 5.469 -7.454 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.076 -7.622 -7.031 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.316 -9.160 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.905 -8.947 -7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.318 -6.027 -6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.032 -7.247 -6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.285 -6.411 -4.894 1.00 0.00 H new ATOM 469 N VAL A 32 1.281 -8.963 -3.048 1.00 0.00 N ATOM 470 CA VAL A 32 0.009 -9.556 -2.673 1.00 0.00 C ATOM 471 C VAL A 32 -0.616 -10.230 -3.897 1.00 0.00 C ATOM 472 O VAL A 32 -0.902 -9.571 -4.895 1.00 0.00 O ATOM 473 CB VAL A 32 -0.899 -8.495 -2.048 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.326 -9.022 -1.882 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.335 -8.010 -0.710 1.00 0.00 C ATOM 0 H VAL A 32 1.206 -8.108 -3.599 1.00 0.00 H new ATOM 0 HA VAL A 32 0.156 -10.327 -1.916 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.934 -7.643 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.950 -8.248 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.729 -9.295 -2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.317 -9.899 -1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.999 -7.256 -0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.256 -8.852 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.652 -7.576 -0.867 1.00 0.00 H new ATOM 485 N PRO A 33 -0.812 -11.570 -3.776 1.00 0.00 N ATOM 486 CA PRO A 33 -1.397 -12.342 -4.859 1.00 0.00 C ATOM 487 C PRO A 33 -2.904 -12.094 -4.958 1.00 0.00 C ATOM 488 O PRO A 33 -3.704 -12.966 -4.620 1.00 0.00 O ATOM 489 CB PRO A 33 -1.053 -13.788 -4.544 1.00 0.00 C ATOM 490 CG PRO A 33 -0.694 -13.819 -3.068 1.00 0.00 C ATOM 491 CD PRO A 33 -0.485 -12.385 -2.609 1.00 0.00 C ATOM 0 HA PRO A 33 -1.006 -12.058 -5.836 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.897 -14.445 -4.755 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.220 -14.133 -5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.489 -14.292 -2.492 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.210 -14.407 -2.907 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.129 -12.142 -1.764 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.542 -12.219 -2.285 1.00 0.00 H new ATOM 499 N TYR A 34 -3.246 -10.902 -5.422 1.00 0.00 N ATOM 500 CA TYR A 34 -4.643 -10.528 -5.570 1.00 0.00 C ATOM 501 C TYR A 34 -5.391 -11.535 -6.446 1.00 0.00 C ATOM 502 O TYR A 34 -6.525 -11.902 -6.145 1.00 0.00 O ATOM 503 CB TYR A 34 -4.644 -9.165 -6.265 1.00 0.00 C ATOM 504 CG TYR A 34 -3.702 -8.141 -5.629 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.107 -7.425 -4.520 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.447 -7.933 -6.164 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.220 -6.462 -3.922 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.560 -6.969 -5.565 1.00 0.00 C ATOM 509 CZ TYR A 34 -1.991 -6.281 -4.475 1.00 0.00 C ATOM 510 OH TYR A 34 -1.152 -5.371 -3.909 1.00 0.00 O ATOM 0 H TYR A 34 -2.580 -10.182 -5.701 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.138 -10.502 -4.599 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.364 -9.301 -7.310 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.658 -8.765 -6.256 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.089 -7.588 -4.101 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.130 -8.493 -7.031 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.524 -5.896 -3.054 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.575 -6.797 -5.973 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.309 -5.348 -4.408 1.00 0.00 H new ATOM 520 N LYS A 35 -4.723 -11.952 -7.512 1.00 0.00 N ATOM 521 CA LYS A 35 -5.310 -12.910 -8.434 1.00 0.00 C ATOM 522 C LYS A 35 -5.837 -14.113 -7.647 1.00 0.00 C ATOM 523 O LYS A 35 -6.958 -14.565 -7.874 1.00 0.00 O ATOM 524 CB LYS A 35 -4.310 -13.283 -9.529 1.00 0.00 C ATOM 525 CG LYS A 35 -5.031 -13.725 -10.803 1.00 0.00 C ATOM 526 CD LYS A 35 -4.434 -13.044 -12.037 1.00 0.00 C ATOM 527 CE LYS A 35 -4.869 -13.752 -13.321 1.00 0.00 C ATOM 528 NZ LYS A 35 -5.377 -12.773 -14.306 1.00 0.00 N ATOM 0 H LYS A 35 -3.782 -11.644 -7.758 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.162 -12.468 -8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.669 -12.429 -9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.662 -14.086 -9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.958 -14.807 -10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.091 -13.483 -10.727 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.749 -12.001 -12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.346 -13.047 -11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.027 -14.299 -13.745 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.644 -14.484 -13.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.668 -13.271 -15.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.194 -12.269 -13.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.627 -12.090 -14.535 1.00 0.00 H new ATOM 542 N LEU A 36 -5.002 -14.596 -6.738 1.00 0.00 N ATOM 543 CA LEU A 36 -5.370 -15.737 -5.916 1.00 0.00 C ATOM 544 C LEU A 36 -6.458 -15.318 -4.927 1.00 0.00 C ATOM 545 O LEU A 36 -7.574 -15.833 -4.972 1.00 0.00 O ATOM 546 CB LEU A 36 -4.130 -16.337 -5.250 1.00 0.00 C ATOM 547 CG LEU A 36 -3.153 -17.061 -6.178 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.859 -17.414 -5.444 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.807 -18.292 -6.810 1.00 0.00 C ATOM 0 H LEU A 36 -4.073 -14.218 -6.553 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.790 -16.532 -6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.592 -15.537 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.458 -17.038 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.888 -16.384 -6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.182 -17.928 -6.127 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.385 -16.501 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.086 -18.065 -4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.091 -18.788 -7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.119 -18.981 -6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.677 -17.984 -7.390 1.00 0.00 H new ATOM 561 N ILE A 37 -6.097 -14.387 -4.057 1.00 0.00 N ATOM 562 CA ILE A 37 -7.028 -13.893 -3.058 1.00 0.00 C ATOM 563 C ILE A 37 -8.393 -13.660 -3.711 1.00 0.00 C ATOM 564 O ILE A 37 -9.425 -13.750 -3.048 1.00 0.00 O ATOM 565 CB ILE A 37 -6.461 -12.654 -2.362 1.00 0.00 C ATOM 566 CG1 ILE A 37 -5.153 -12.983 -1.639 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.496 -12.033 -1.421 1.00 0.00 C ATOM 568 CD1 ILE A 37 -4.108 -11.889 -1.875 1.00 0.00 C ATOM 0 H ILE A 37 -5.171 -13.961 -4.023 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.171 -14.634 -2.272 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.230 -11.909 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.340 -13.088 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.769 -13.940 -1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.068 -11.154 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.378 -11.741 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.780 -12.761 -0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.187 -12.146 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.906 -11.803 -2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.486 -10.938 -1.500 1.00 0.00 H new ATOM 580 N ARG A 38 -8.353 -13.367 -5.003 1.00 0.00 N ATOM 581 CA ARG A 38 -9.574 -13.122 -5.752 1.00 0.00 C ATOM 582 C ARG A 38 -10.391 -14.410 -5.872 1.00 0.00 C ATOM 583 O ARG A 38 -11.544 -14.460 -5.447 1.00 0.00 O ATOM 584 CB ARG A 38 -9.263 -12.591 -7.152 1.00 0.00 C ATOM 585 CG ARG A 38 -10.520 -12.027 -7.817 1.00 0.00 C ATOM 586 CD ARG A 38 -10.666 -10.531 -7.534 1.00 0.00 C ATOM 587 NE ARG A 38 -9.741 -9.760 -8.393 1.00 0.00 N ATOM 588 CZ ARG A 38 -9.286 -8.535 -8.097 1.00 0.00 C ATOM 589 NH1 ARG A 38 -9.668 -7.934 -6.962 1.00 0.00 N ATOM 590 NH2 ARG A 38 -8.449 -7.910 -8.937 1.00 0.00 N ATOM 0 H ARG A 38 -7.495 -13.294 -5.550 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.150 -12.372 -5.211 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.501 -11.814 -7.089 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.851 -13.392 -7.765 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.473 -12.194 -8.893 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.399 -12.557 -7.450 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.693 -10.216 -7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.454 -10.329 -6.484 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.430 -10.188 -9.265 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.305 -8.409 -6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.321 -7.001 -6.737 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.159 -8.367 -9.801 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.103 -6.977 -8.712 1.00 0.00 H new ATOM 604 N ASP A 39 -9.761 -15.420 -6.454 1.00 0.00 N ATOM 605 CA ASP A 39 -10.415 -16.704 -6.636 1.00 0.00 C ATOM 606 C ASP A 39 -10.595 -17.378 -5.273 1.00 0.00 C ATOM 607 O ASP A 39 -11.526 -18.157 -5.081 1.00 0.00 O ATOM 608 CB ASP A 39 -9.574 -17.631 -7.514 1.00 0.00 C ATOM 609 CG ASP A 39 -10.305 -18.872 -8.033 1.00 0.00 C ATOM 610 OD1 ASP A 39 -10.919 -18.756 -9.116 1.00 0.00 O ATOM 611 OD2 ASP A 39 -10.235 -19.906 -7.336 1.00 0.00 O ATOM 0 H ASP A 39 -8.805 -15.375 -6.806 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.377 -16.527 -7.117 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.205 -17.062 -8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.702 -17.953 -6.945 1.00 0.00 H new ATOM 616 N SER A 40 -9.688 -17.053 -4.365 1.00 0.00 N ATOM 617 CA SER A 40 -9.734 -17.616 -3.027 1.00 0.00 C ATOM 618 C SER A 40 -9.890 -16.500 -1.993 1.00 0.00 C ATOM 619 O SER A 40 -8.905 -15.895 -1.573 1.00 0.00 O ATOM 620 CB SER A 40 -8.478 -18.440 -2.732 1.00 0.00 C ATOM 621 OG SER A 40 -8.483 -18.967 -1.407 1.00 0.00 O ATOM 0 H SER A 40 -8.916 -16.407 -4.529 1.00 0.00 H new ATOM 0 HA SER A 40 -10.595 -18.281 -2.967 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.406 -19.259 -3.448 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.595 -17.817 -2.871 1.00 0.00 H new ATOM 0 HG SER A 40 -7.753 -19.613 -1.309 1.00 0.00 H new ATOM 627 N PRO A 41 -11.170 -16.253 -1.603 1.00 0.00 N ATOM 628 CA PRO A 41 -11.469 -15.219 -0.627 1.00 0.00 C ATOM 629 C PRO A 41 -11.089 -15.671 0.784 1.00 0.00 C ATOM 630 O PRO A 41 -11.052 -14.863 1.711 1.00 0.00 O ATOM 631 CB PRO A 41 -12.956 -14.947 -0.783 1.00 0.00 C ATOM 632 CG PRO A 41 -13.526 -16.156 -1.509 1.00 0.00 C ATOM 633 CD PRO A 41 -12.362 -16.950 -2.079 1.00 0.00 C ATOM 0 HA PRO A 41 -10.893 -14.308 -0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.433 -14.814 0.188 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.129 -14.033 -1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.109 -16.772 -0.825 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.199 -15.840 -2.306 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.381 -17.984 -1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.397 -16.977 -3.168 1.00 0.00 H new ATOM 641 N ASP A 42 -10.817 -16.963 0.904 1.00 0.00 N ATOM 642 CA ASP A 42 -10.442 -17.533 2.187 1.00 0.00 C ATOM 643 C ASP A 42 -8.951 -17.876 2.172 1.00 0.00 C ATOM 644 O ASP A 42 -8.558 -18.970 2.572 1.00 0.00 O ATOM 645 CB ASP A 42 -11.221 -18.820 2.468 1.00 0.00 C ATOM 646 CG ASP A 42 -12.606 -18.616 3.083 1.00 0.00 C ATOM 647 OD1 ASP A 42 -13.272 -17.640 2.674 1.00 0.00 O ATOM 648 OD2 ASP A 42 -12.969 -19.441 3.949 1.00 0.00 O ATOM 0 H ASP A 42 -10.849 -17.631 0.134 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.668 -16.799 2.960 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.332 -19.371 1.534 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.631 -19.445 3.138 1.00 0.00 H new ATOM 653 N ALA A 43 -8.161 -16.920 1.704 1.00 0.00 N ATOM 654 CA ALA A 43 -6.722 -17.108 1.631 1.00 0.00 C ATOM 655 C ALA A 43 -6.034 -16.105 2.559 1.00 0.00 C ATOM 656 O ALA A 43 -5.238 -16.490 3.414 1.00 0.00 O ATOM 657 CB ALA A 43 -6.263 -16.969 0.178 1.00 0.00 C ATOM 0 H ALA A 43 -8.490 -16.014 1.372 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.447 -18.108 1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.184 -17.110 0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.759 -17.722 -0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.519 -15.976 -0.191 1.00 0.00 H new ATOM 663 N VAL A 44 -6.365 -14.838 2.358 1.00 0.00 N ATOM 664 CA VAL A 44 -5.789 -13.776 3.166 1.00 0.00 C ATOM 665 C VAL A 44 -6.880 -12.766 3.527 1.00 0.00 C ATOM 666 O VAL A 44 -7.744 -12.460 2.707 1.00 0.00 O ATOM 667 CB VAL A 44 -4.606 -13.143 2.431 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.200 -11.820 3.085 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.422 -14.108 2.362 1.00 0.00 C ATOM 0 H VAL A 44 -7.025 -14.523 1.647 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.397 -14.177 4.101 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.921 -12.929 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.357 -11.390 2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.041 -11.127 3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.913 -11.999 4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.595 -13.632 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.106 -14.369 3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.720 -15.012 1.830 1.00 0.00 H new ATOM 679 N GLU A 45 -6.805 -12.276 4.756 1.00 0.00 N ATOM 680 CA GLU A 45 -7.775 -11.306 5.235 1.00 0.00 C ATOM 681 C GLU A 45 -7.177 -9.897 5.204 1.00 0.00 C ATOM 682 O GLU A 45 -6.047 -9.690 5.643 1.00 0.00 O ATOM 683 CB GLU A 45 -8.260 -11.665 6.640 1.00 0.00 C ATOM 684 CG GLU A 45 -8.953 -10.472 7.303 1.00 0.00 C ATOM 685 CD GLU A 45 -8.158 -9.979 8.513 1.00 0.00 C ATOM 686 OE1 GLU A 45 -8.287 -10.624 9.577 1.00 0.00 O ATOM 687 OE2 GLU A 45 -7.440 -8.970 8.348 1.00 0.00 O ATOM 0 H GLU A 45 -6.088 -12.533 5.434 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.639 -11.327 4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.950 -12.507 6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.415 -11.984 7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.062 -9.663 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.957 -10.758 7.615 1.00 0.00 H new ATOM 694 N VAL A 46 -7.963 -8.967 4.683 1.00 0.00 N ATOM 695 CA VAL A 46 -7.525 -7.584 4.590 1.00 0.00 C ATOM 696 C VAL A 46 -8.465 -6.700 5.411 1.00 0.00 C ATOM 697 O VAL A 46 -9.673 -6.688 5.179 1.00 0.00 O ATOM 698 CB VAL A 46 -7.438 -7.161 3.123 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.193 -5.656 2.999 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.356 -7.954 2.386 1.00 0.00 C ATOM 0 H VAL A 46 -8.900 -9.143 4.321 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.524 -7.471 5.008 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.396 -7.385 2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.135 -5.382 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.013 -5.114 3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.256 -5.398 3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.315 -7.633 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.390 -7.777 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.591 -9.017 2.429 1.00 0.00 H new ATOM 710 N THR A 47 -7.876 -5.982 6.357 1.00 0.00 N ATOM 711 CA THR A 47 -8.646 -5.097 7.214 1.00 0.00 C ATOM 712 C THR A 47 -7.894 -3.784 7.436 1.00 0.00 C ATOM 713 O THR A 47 -6.740 -3.649 7.034 1.00 0.00 O ATOM 714 CB THR A 47 -8.955 -5.848 8.510 1.00 0.00 C ATOM 715 OG1 THR A 47 -7.739 -6.522 8.820 1.00 0.00 O ATOM 716 CG2 THR A 47 -9.967 -6.977 8.307 1.00 0.00 C ATOM 0 H THR A 47 -6.874 -5.996 6.548 1.00 0.00 H new ATOM 0 HA THR A 47 -9.592 -4.818 6.749 1.00 0.00 H new ATOM 0 HB THR A 47 -9.338 -5.147 9.252 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.907 -7.485 8.888 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.150 -7.477 9.258 1.00 0.00 H new ATOM 0 HG22 THR A 47 -10.902 -6.564 7.928 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.571 -7.696 7.590 1.00 0.00 H new ATOM 724 N GLY A 48 -8.579 -2.848 8.077 1.00 0.00 N ATOM 725 CA GLY A 48 -7.990 -1.549 8.359 1.00 0.00 C ATOM 726 C GLY A 48 -8.250 -0.571 7.213 1.00 0.00 C ATOM 727 O GLY A 48 -8.266 0.643 7.419 1.00 0.00 O ATOM 0 H GLY A 48 -9.536 -2.963 8.409 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.406 -1.150 9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.916 -1.658 8.513 1.00 0.00 H new ATOM 731 N LEU A 49 -8.448 -1.133 6.029 1.00 0.00 N ATOM 732 CA LEU A 49 -8.707 -0.324 4.850 1.00 0.00 C ATOM 733 C LEU A 49 -9.685 0.797 5.210 1.00 0.00 C ATOM 734 O LEU A 49 -10.349 0.738 6.244 1.00 0.00 O ATOM 735 CB LEU A 49 -9.178 -1.203 3.691 1.00 0.00 C ATOM 736 CG LEU A 49 -8.077 -1.821 2.825 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.667 -2.768 1.780 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.206 -0.734 2.190 1.00 0.00 C ATOM 0 H LEU A 49 -8.434 -2.139 5.861 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.789 0.153 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.788 -2.009 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.826 -0.606 3.049 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.430 -2.418 3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.863 -3.193 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.209 -3.570 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.351 -2.217 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.431 -1.199 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.825 -0.092 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.741 -0.137 2.974 1.00 0.00 H new ATOM 750 N PRO A 50 -9.745 1.816 4.313 1.00 0.00 N ATOM 751 CA PRO A 50 -10.631 2.949 4.525 1.00 0.00 C ATOM 752 C PRO A 50 -12.085 2.567 4.241 1.00 0.00 C ATOM 753 O PRO A 50 -12.351 1.666 3.447 1.00 0.00 O ATOM 754 CB PRO A 50 -10.110 4.035 3.599 1.00 0.00 C ATOM 755 CG PRO A 50 -9.246 3.326 2.569 1.00 0.00 C ATOM 756 CD PRO A 50 -8.974 1.920 3.078 1.00 0.00 C ATOM 0 HA PRO A 50 -10.633 3.294 5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.932 4.567 3.120 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.531 4.775 4.152 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.753 3.292 1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.311 3.865 2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.286 1.169 2.352 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.911 1.764 3.261 1.00 0.00 H new ATOM 764 N ASP A 51 -12.989 3.273 4.905 1.00 0.00 N ATOM 765 CA ASP A 51 -14.410 3.019 4.734 1.00 0.00 C ATOM 766 C ASP A 51 -14.828 3.420 3.317 1.00 0.00 C ATOM 767 O ASP A 51 -14.343 4.414 2.781 1.00 0.00 O ATOM 768 CB ASP A 51 -15.240 3.843 5.721 1.00 0.00 C ATOM 769 CG ASP A 51 -14.847 5.319 5.822 1.00 0.00 C ATOM 770 OD1 ASP A 51 -13.985 5.733 5.017 1.00 0.00 O ATOM 771 OD2 ASP A 51 -15.418 5.999 6.701 1.00 0.00 O ATOM 0 H ASP A 51 -12.765 4.020 5.562 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.586 1.958 4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.289 3.781 5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.155 3.391 6.709 1.00 0.00 H new ATOM 776 N ASP A 52 -15.723 2.622 2.752 1.00 0.00 N ATOM 777 CA ASP A 52 -16.212 2.881 1.408 1.00 0.00 C ATOM 778 C ASP A 52 -15.097 2.589 0.400 1.00 0.00 C ATOM 779 O ASP A 52 -15.019 3.230 -0.647 1.00 0.00 O ATOM 780 CB ASP A 52 -16.626 4.345 1.244 1.00 0.00 C ATOM 781 CG ASP A 52 -17.992 4.561 0.593 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.874 3.705 0.826 1.00 0.00 O ATOM 783 OD2 ASP A 52 -18.127 5.577 -0.123 1.00 0.00 O ATOM 0 H ASP A 52 -16.122 1.797 3.200 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.077 2.241 1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.629 4.818 2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.871 4.856 0.647 1.00 0.00 H new ATOM 788 N ILE A 53 -14.264 1.622 0.752 1.00 0.00 N ATOM 789 CA ILE A 53 -13.159 1.237 -0.109 1.00 0.00 C ATOM 790 C ILE A 53 -12.877 -0.257 0.067 1.00 0.00 C ATOM 791 O ILE A 53 -12.536 -0.703 1.161 1.00 0.00 O ATOM 792 CB ILE A 53 -11.942 2.127 0.151 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.225 3.575 -0.255 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.697 1.570 -0.541 1.00 0.00 C ATOM 795 CD1 ILE A 53 -10.977 4.444 -0.091 1.00 0.00 C ATOM 0 H ILE A 53 -14.332 1.093 1.622 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.420 1.391 -1.156 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.741 2.127 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.561 3.607 -1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.034 3.976 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.847 2.222 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.486 0.570 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.870 1.520 -1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.205 5.468 -0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.658 4.429 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.177 4.055 -0.721 1.00 0.00 H new ATOM 807 N PRO A 54 -13.033 -1.008 -1.056 1.00 0.00 N ATOM 808 CA PRO A 54 -12.799 -2.442 -1.037 1.00 0.00 C ATOM 809 C PRO A 54 -11.301 -2.752 -0.996 1.00 0.00 C ATOM 810 O PRO A 54 -10.494 -1.888 -0.657 1.00 0.00 O ATOM 811 CB PRO A 54 -13.481 -2.969 -2.288 1.00 0.00 C ATOM 812 CG PRO A 54 -13.669 -1.766 -3.198 1.00 0.00 C ATOM 813 CD PRO A 54 -13.436 -0.514 -2.369 1.00 0.00 C ATOM 0 HA PRO A 54 -13.205 -2.923 -0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.873 -3.733 -2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.439 -3.429 -2.046 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.970 -1.806 -4.033 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.673 -1.762 -3.622 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.662 0.115 -2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.340 0.092 -2.304 1.00 0.00 H new ATOM 821 N PHE A 55 -10.976 -3.988 -1.347 1.00 0.00 N ATOM 822 CA PHE A 55 -9.590 -4.423 -1.354 1.00 0.00 C ATOM 823 C PHE A 55 -9.241 -5.120 -2.670 1.00 0.00 C ATOM 824 O PHE A 55 -9.513 -6.308 -2.839 1.00 0.00 O ATOM 825 CB PHE A 55 -9.427 -5.419 -0.204 1.00 0.00 C ATOM 826 CG PHE A 55 -8.201 -6.325 -0.335 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.956 -5.779 -0.388 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.355 -7.674 -0.396 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.818 -6.619 -0.509 1.00 0.00 C ATOM 830 CE2 PHE A 55 -7.217 -8.514 -0.517 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.971 -7.970 -0.571 1.00 0.00 C ATOM 0 H PHE A 55 -11.649 -4.701 -1.628 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.930 -3.563 -1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.360 -4.868 0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.321 -6.040 -0.146 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.834 -4.707 -0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.343 -8.107 -0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.830 -6.186 -0.552 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.340 -9.586 -0.566 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.105 -8.609 -0.663 1.00 0.00 H new ATOM 841 N ARG A 56 -8.645 -4.351 -3.571 1.00 0.00 N ATOM 842 CA ARG A 56 -8.257 -4.880 -4.866 1.00 0.00 C ATOM 843 C ARG A 56 -6.886 -4.335 -5.274 1.00 0.00 C ATOM 844 O ARG A 56 -6.309 -3.509 -4.569 1.00 0.00 O ATOM 845 CB ARG A 56 -9.283 -4.514 -5.941 1.00 0.00 C ATOM 846 CG ARG A 56 -10.705 -4.836 -5.473 1.00 0.00 C ATOM 847 CD ARG A 56 -11.466 -5.628 -6.538 1.00 0.00 C ATOM 848 NE ARG A 56 -12.596 -4.825 -7.054 1.00 0.00 N ATOM 849 CZ ARG A 56 -12.467 -3.830 -7.941 1.00 0.00 C ATOM 850 NH1 ARG A 56 -11.256 -3.507 -8.416 1.00 0.00 N ATOM 851 NH2 ARG A 56 -13.549 -3.155 -8.355 1.00 0.00 N ATOM 0 H ARG A 56 -8.422 -3.366 -3.428 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.209 -5.965 -4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.205 -3.453 -6.177 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.065 -5.061 -6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.666 -5.409 -4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.238 -3.911 -5.253 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.795 -5.893 -7.355 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.836 -6.561 -6.114 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.532 -5.043 -6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.432 -4.019 -8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.159 -2.749 -9.092 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.471 -3.399 -7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.450 -2.397 -9.031 1.00 0.00 H new ATOM 865 N ASN A 57 -6.405 -4.820 -6.409 1.00 0.00 N ATOM 866 CA ASN A 57 -5.113 -4.392 -6.919 1.00 0.00 C ATOM 867 C ASN A 57 -4.951 -2.888 -6.683 1.00 0.00 C ATOM 868 O ASN A 57 -5.837 -2.105 -7.020 1.00 0.00 O ATOM 869 CB ASN A 57 -5.001 -4.650 -8.422 1.00 0.00 C ATOM 870 CG ASN A 57 -3.730 -5.436 -8.750 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.648 -5.147 -8.266 1.00 0.00 O ATOM 872 ND2 ASN A 57 -3.921 -6.445 -9.596 1.00 0.00 N ATOM 0 H ASN A 57 -6.887 -5.506 -6.990 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.340 -4.957 -6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.874 -5.204 -8.766 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.995 -3.701 -8.958 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.135 -7.031 -9.876 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.854 -6.632 -9.964 1.00 0.00 H new ATOM 879 N PRO A 58 -3.781 -2.522 -6.093 1.00 0.00 N ATOM 880 CA PRO A 58 -3.492 -1.127 -5.810 1.00 0.00 C ATOM 881 C PRO A 58 -3.122 -0.372 -7.089 1.00 0.00 C ATOM 882 O PRO A 58 -2.914 0.839 -7.061 1.00 0.00 O ATOM 883 CB PRO A 58 -2.363 -1.159 -4.792 1.00 0.00 C ATOM 884 CG PRO A 58 -1.751 -2.547 -4.891 1.00 0.00 C ATOM 885 CD PRO A 58 -2.709 -3.423 -5.681 1.00 0.00 C ATOM 0 HA PRO A 58 -4.354 -0.591 -5.414 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.622 -0.389 -5.007 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.738 -0.969 -3.787 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.780 -2.502 -5.384 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.585 -2.963 -3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.216 -3.872 -6.543 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.092 -4.241 -5.071 1.00 0.00 H new ATOM 893 N ASN A 59 -3.051 -1.122 -8.180 1.00 0.00 N ATOM 894 CA ASN A 59 -2.710 -0.539 -9.466 1.00 0.00 C ATOM 895 C ASN A 59 -3.995 -0.247 -10.245 1.00 0.00 C ATOM 896 O ASN A 59 -4.223 -0.819 -11.309 1.00 0.00 O ATOM 897 CB ASN A 59 -1.862 -1.501 -10.299 1.00 0.00 C ATOM 898 CG ASN A 59 -2.510 -2.885 -10.368 1.00 0.00 C ATOM 899 OD1 ASN A 59 -3.703 -3.031 -10.578 1.00 0.00 O ATOM 900 ND2 ASN A 59 -1.660 -3.891 -10.181 1.00 0.00 N ATOM 0 H ASN A 59 -3.224 -2.127 -8.199 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.145 0.375 -9.283 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.738 -1.103 -11.306 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.866 -1.583 -9.864 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.995 -4.854 -10.209 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.673 -3.699 -10.010 1.00 0.00 H new ATOM 907 N THR A 60 -4.799 0.644 -9.684 1.00 0.00 N ATOM 908 CA THR A 60 -6.055 1.018 -10.313 1.00 0.00 C ATOM 909 C THR A 60 -6.743 2.126 -9.512 1.00 0.00 C ATOM 910 O THR A 60 -7.362 3.019 -10.086 1.00 0.00 O ATOM 911 CB THR A 60 -6.906 -0.243 -10.458 1.00 0.00 C ATOM 912 OG1 THR A 60 -8.247 0.237 -10.438 1.00 0.00 O ATOM 913 CG2 THR A 60 -6.818 -1.155 -9.233 1.00 0.00 C ATOM 0 H THR A 60 -4.606 1.118 -8.802 1.00 0.00 H new ATOM 0 HA THR A 60 -5.891 1.432 -11.308 1.00 0.00 H new ATOM 0 HB THR A 60 -6.588 -0.794 -11.343 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.866 -0.517 -10.529 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.441 -2.035 -9.389 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.784 -1.465 -9.083 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.166 -0.616 -8.352 1.00 0.00 H new ATOM 921 N TYR A 61 -6.609 2.031 -8.196 1.00 0.00 N ATOM 922 CA TYR A 61 -7.210 3.013 -7.310 1.00 0.00 C ATOM 923 C TYR A 61 -6.966 4.434 -7.821 1.00 0.00 C ATOM 924 O TYR A 61 -6.202 4.636 -8.764 1.00 0.00 O ATOM 925 CB TYR A 61 -6.514 2.842 -5.958 1.00 0.00 C ATOM 926 CG TYR A 61 -6.948 1.595 -5.188 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.290 1.300 -5.051 1.00 0.00 C ATOM 928 CD2 TYR A 61 -5.999 0.763 -4.629 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.699 0.125 -4.325 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.408 -0.411 -3.903 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.738 -0.672 -3.788 1.00 0.00 C ATOM 932 OH TYR A 61 -8.124 -1.782 -3.103 1.00 0.00 O ATOM 0 H TYR A 61 -6.093 1.289 -7.723 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.288 2.865 -7.247 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.437 2.801 -6.118 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.712 3.722 -5.345 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.033 1.950 -5.488 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.949 0.993 -4.736 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.745 -0.117 -4.210 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.676 -1.069 -3.460 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.079 -1.721 -2.893 1.00 0.00 H new ATOM 942 N ASP A 62 -7.628 5.383 -7.175 1.00 0.00 N ATOM 943 CA ASP A 62 -7.492 6.780 -7.553 1.00 0.00 C ATOM 944 C ASP A 62 -6.855 7.555 -6.397 1.00 0.00 C ATOM 945 O ASP A 62 -6.752 7.045 -5.284 1.00 0.00 O ATOM 946 CB ASP A 62 -8.857 7.406 -7.847 1.00 0.00 C ATOM 947 CG ASP A 62 -8.813 8.863 -8.313 1.00 0.00 C ATOM 948 OD1 ASP A 62 -8.419 9.073 -9.481 1.00 0.00 O ATOM 949 OD2 ASP A 62 -9.173 9.733 -7.492 1.00 0.00 O ATOM 0 H ASP A 62 -8.260 5.212 -6.393 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.873 6.830 -8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.356 6.811 -8.612 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.469 7.346 -6.947 1.00 0.00 H new ATOM 954 N ILE A 63 -6.444 8.778 -6.703 1.00 0.00 N ATOM 955 CA ILE A 63 -5.820 9.628 -5.705 1.00 0.00 C ATOM 956 C ILE A 63 -6.565 9.481 -4.377 1.00 0.00 C ATOM 957 O ILE A 63 -5.959 9.563 -3.309 1.00 0.00 O ATOM 958 CB ILE A 63 -5.740 11.072 -6.206 1.00 0.00 C ATOM 959 CG1 ILE A 63 -4.447 11.744 -5.739 1.00 0.00 C ATOM 960 CG2 ILE A 63 -6.980 11.866 -5.793 1.00 0.00 C ATOM 961 CD1 ILE A 63 -4.621 13.261 -5.643 1.00 0.00 C ATOM 0 H ILE A 63 -6.531 9.199 -7.628 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.790 9.316 -5.530 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.718 11.054 -7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.156 11.346 -4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.640 11.510 -6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.897 12.888 -6.162 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.869 11.399 -6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.059 11.878 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.687 13.714 -5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.888 13.659 -6.622 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.412 13.492 -4.930 1.00 0.00 H new ATOM 973 N HIS A 64 -7.867 9.263 -4.487 1.00 0.00 N ATOM 974 CA HIS A 64 -8.700 9.101 -3.307 1.00 0.00 C ATOM 975 C HIS A 64 -8.327 7.804 -2.589 1.00 0.00 C ATOM 976 O HIS A 64 -7.699 7.833 -1.532 1.00 0.00 O ATOM 977 CB HIS A 64 -10.183 9.170 -3.677 1.00 0.00 C ATOM 978 CG HIS A 64 -10.743 10.572 -3.715 1.00 0.00 C ATOM 979 ND1 HIS A 64 -10.785 11.393 -2.602 1.00 0.00 N ATOM 980 CD2 HIS A 64 -11.282 11.289 -4.743 1.00 0.00 C ATOM 981 CE1 HIS A 64 -11.328 12.550 -2.955 1.00 0.00 C ATOM 982 NE2 HIS A 64 -11.636 12.482 -4.282 1.00 0.00 N ATOM 0 H HIS A 64 -8.366 9.195 -5.374 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.519 9.922 -2.614 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.325 8.707 -4.653 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.754 8.581 -2.959 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -11.400 10.944 -5.760 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.497 13.397 -2.306 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -12.068 13.226 -4.830 1.00 0.00 H new ATOM 990 N ARG A 65 -8.731 6.695 -3.191 1.00 0.00 N ATOM 991 CA ARG A 65 -8.447 5.388 -2.622 1.00 0.00 C ATOM 992 C ARG A 65 -6.994 5.319 -2.149 1.00 0.00 C ATOM 993 O ARG A 65 -6.718 4.864 -1.041 1.00 0.00 O ATOM 994 CB ARG A 65 -8.698 4.276 -3.642 1.00 0.00 C ATOM 995 CG ARG A 65 -9.905 3.427 -3.241 1.00 0.00 C ATOM 996 CD ARG A 65 -11.031 3.554 -4.270 1.00 0.00 C ATOM 997 NE ARG A 65 -12.309 3.093 -3.682 1.00 0.00 N ATOM 998 CZ ARG A 65 -13.517 3.412 -4.166 1.00 0.00 C ATOM 999 NH1 ARG A 65 -13.619 4.194 -5.249 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -14.622 2.949 -3.567 1.00 0.00 N ATOM 0 H ARG A 65 -9.253 6.674 -4.067 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.116 5.244 -1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.867 4.712 -4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.814 3.643 -3.721 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.606 2.383 -3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.266 3.741 -2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.123 4.591 -4.594 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -10.794 2.963 -5.155 1.00 0.00 H new ATOM 0 HE ARG A 65 -12.267 2.495 -2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.777 4.546 -5.705 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.538 4.437 -5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -14.544 2.354 -2.742 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.542 3.192 -3.935 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.102 5.778 -3.015 1.00 0.00 N ATOM 1015 CA LEU A 66 -4.683 5.775 -2.700 1.00 0.00 C ATOM 1016 C LEU A 66 -4.440 6.623 -1.451 1.00 0.00 C ATOM 1017 O LEU A 66 -3.770 6.182 -0.517 1.00 0.00 O ATOM 1018 CB LEU A 66 -3.864 6.219 -3.914 1.00 0.00 C ATOM 1019 CG LEU A 66 -3.891 5.280 -5.122 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.125 5.883 -6.302 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.368 3.892 -4.748 1.00 0.00 C ATOM 0 H LEU A 66 -6.334 6.154 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.346 4.764 -2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.224 7.198 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.828 6.346 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.927 5.159 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.159 5.196 -7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.582 6.831 -6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.087 6.052 -6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.398 3.244 -5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.341 3.974 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.992 3.468 -3.961 1.00 0.00 H new ATOM 1033 N GLU A 67 -4.999 7.824 -1.472 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.850 8.738 -0.351 1.00 0.00 C ATOM 1035 C GLU A 67 -5.464 8.132 0.912 1.00 0.00 C ATOM 1036 O GLU A 67 -4.772 7.934 1.909 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.475 10.098 -0.667 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.528 10.956 -1.509 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.970 12.121 -0.689 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -4.722 13.103 -0.514 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -2.803 12.003 -0.256 1.00 0.00 O ATOM 0 H GLU A 67 -5.555 8.186 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.786 8.896 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.414 9.955 -1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.713 10.617 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.708 10.342 -1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.058 11.341 -2.381 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.757 7.855 0.829 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.472 7.277 1.953 1.00 0.00 C ATOM 1050 C LYS A 68 -6.685 6.080 2.491 1.00 0.00 C ATOM 1051 O LYS A 68 -6.252 6.085 3.643 1.00 0.00 O ATOM 1052 CB LYS A 68 -8.911 6.938 1.557 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.611 8.153 0.944 1.00 0.00 C ATOM 1054 CD LYS A 68 -10.908 8.472 1.691 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.624 9.668 1.061 1.00 0.00 C ATOM 1056 NZ LYS A 68 -12.201 10.538 2.109 1.00 0.00 N ATOM 0 H LYS A 68 -7.328 8.020 0.000 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.551 7.999 2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.911 6.115 0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.463 6.599 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.946 9.016 0.978 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.830 7.960 -0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.564 7.602 1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.686 8.686 2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.923 10.239 0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.413 9.318 0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.683 11.345 1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.885 9.995 2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.441 10.887 2.727 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.522 5.085 1.632 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.795 3.884 2.008 1.00 0.00 C ATOM 1072 C ILE A 69 -4.488 4.280 2.696 1.00 0.00 C ATOM 1073 O ILE A 69 -4.153 3.749 3.754 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.599 2.975 0.793 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.946 2.540 0.211 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.712 1.778 1.141 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.836 2.283 -1.294 1.00 0.00 C ATOM 0 H ILE A 69 -6.881 5.085 0.677 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.370 3.299 2.726 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.083 3.544 0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.288 1.636 0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.693 3.311 0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.589 1.148 0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.736 2.133 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.178 1.199 1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.807 1.975 -1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.517 3.196 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.106 1.494 -1.476 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.782 5.209 2.068 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.519 5.681 2.607 1.00 0.00 C ATOM 1091 C LEU A 70 -2.763 6.334 3.969 1.00 0.00 C ATOM 1092 O LEU A 70 -1.908 6.276 4.851 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.817 6.597 1.602 1.00 0.00 C ATOM 1094 CG LEU A 70 -1.027 5.898 0.493 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.666 6.878 -0.624 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.207 5.194 1.061 1.00 0.00 C ATOM 0 H LEU A 70 -4.061 5.647 1.190 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.838 4.846 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.568 7.237 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.137 7.249 2.149 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.662 5.129 0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.105 6.356 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.578 7.293 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.057 7.685 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.751 4.705 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.854 5.927 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.104 4.448 1.792 1.00 0.00 H new ATOM 1108 N LYS A 71 -3.933 6.942 4.097 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.301 7.605 5.337 1.00 0.00 C ATOM 1110 C LYS A 71 -4.583 6.551 6.409 1.00 0.00 C ATOM 1111 O LYS A 71 -4.498 6.838 7.603 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.463 8.571 5.102 1.00 0.00 C ATOM 1113 CG LYS A 71 -5.044 10.013 5.394 1.00 0.00 C ATOM 1114 CD LYS A 71 -6.262 10.939 5.444 1.00 0.00 C ATOM 1115 CE LYS A 71 -6.668 11.234 6.888 1.00 0.00 C ATOM 1116 NZ LYS A 71 -7.513 12.448 6.952 1.00 0.00 N ATOM 0 H LYS A 71 -4.639 6.990 3.362 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.477 8.218 5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.805 8.490 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.304 8.296 5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.511 10.055 6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.352 10.357 4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.035 11.872 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.096 10.477 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.211 10.384 7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.778 11.371 7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.780 12.634 7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.982 13.260 6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.372 12.304 6.383 1.00 0.00 H new ATOM 1130 N ALA A 72 -4.913 5.355 5.946 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.208 4.258 6.851 1.00 0.00 C ATOM 1132 C ALA A 72 -4.144 3.170 6.692 1.00 0.00 C ATOM 1133 O ALA A 72 -4.377 2.013 7.038 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.620 3.735 6.577 1.00 0.00 C ATOM 0 H ALA A 72 -4.983 5.121 4.956 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.180 4.598 7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.841 2.912 7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.342 4.537 6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.684 3.383 5.547 1.00 0.00 H new ATOM 1140 N ARG A 73 -2.999 3.580 6.168 1.00 0.00 N ATOM 1141 CA ARG A 73 -1.897 2.655 5.959 1.00 0.00 C ATOM 1142 C ARG A 73 -1.515 1.979 7.276 1.00 0.00 C ATOM 1143 O ARG A 73 -1.131 0.810 7.290 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.674 3.376 5.389 1.00 0.00 C ATOM 1145 CG ARG A 73 -0.174 4.453 6.354 1.00 0.00 C ATOM 1146 CD ARG A 73 1.082 5.137 5.809 1.00 0.00 C ATOM 1147 NE ARG A 73 1.532 6.191 6.745 1.00 0.00 N ATOM 1148 CZ ARG A 73 2.778 6.681 6.783 1.00 0.00 C ATOM 1149 NH1 ARG A 73 3.707 6.217 5.935 1.00 0.00 N ATOM 1150 NH2 ARG A 73 3.096 7.637 7.666 1.00 0.00 N ATOM 0 H ARG A 73 -2.810 4.540 5.882 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.227 1.902 5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.121 2.656 5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.929 3.830 4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.956 5.195 6.514 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.043 4.005 7.324 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.874 4.402 5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.874 5.572 4.832 1.00 0.00 H new ATOM 0 HE ARG A 73 0.850 6.568 7.403 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.465 5.491 5.261 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.656 6.590 5.964 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.389 7.992 8.310 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.045 8.010 7.694 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.632 2.742 8.353 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.304 2.231 9.673 1.00 0.00 C ATOM 1166 C GLU A 74 -2.415 1.308 10.177 1.00 0.00 C ATOM 1167 O GLU A 74 -2.151 0.350 10.901 1.00 0.00 O ATOM 1168 CB GLU A 74 -1.051 3.374 10.657 1.00 0.00 C ATOM 1169 CG GLU A 74 0.447 3.648 10.808 1.00 0.00 C ATOM 1170 CD GLU A 74 0.861 3.629 12.281 1.00 0.00 C ATOM 1171 OE1 GLU A 74 0.349 4.493 13.026 1.00 0.00 O ATOM 1172 OE2 GLU A 74 1.681 2.751 12.629 1.00 0.00 O ATOM 0 H GLU A 74 -1.950 3.711 8.338 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.384 1.651 9.598 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.556 4.276 10.310 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.478 3.123 11.628 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.015 2.898 10.257 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.689 4.617 10.371 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.635 1.631 9.773 1.00 0.00 N ATOM 1180 CA HIS A 75 -4.789 0.843 10.176 1.00 0.00 C ATOM 1181 C HIS A 75 -4.823 -0.461 9.376 1.00 0.00 C ATOM 1182 O HIS A 75 -5.106 -1.524 9.927 1.00 0.00 O ATOM 1183 CB HIS A 75 -6.077 1.657 10.038 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.427 2.464 11.265 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -6.918 1.890 12.425 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -6.352 3.806 11.500 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -7.125 2.853 13.311 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -6.775 4.039 12.736 1.00 0.00 N ATOM 0 H HIS A 75 -3.850 2.426 9.172 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.705 0.580 11.231 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.979 2.332 9.188 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.901 0.979 9.814 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.007 4.552 10.799 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.505 2.722 14.314 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.829 4.954 13.182 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.532 -0.337 8.089 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.525 -1.493 7.209 1.00 0.00 C ATOM 1198 C VAL A 76 -3.769 -2.638 7.883 1.00 0.00 C ATOM 1199 O VAL A 76 -2.661 -2.447 8.381 1.00 0.00 O ATOM 1200 CB VAL A 76 -3.942 -1.111 5.848 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.578 -2.356 5.038 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.907 -0.213 5.070 1.00 0.00 C ATOM 0 H VAL A 76 -4.299 0.546 7.635 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.542 -1.839 7.026 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.026 -0.546 6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.166 -2.056 4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.837 -2.941 5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.471 -2.960 4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.468 0.044 4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.847 -0.741 4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.094 0.698 5.638 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.397 -3.805 7.877 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.796 -4.982 8.482 1.00 0.00 C ATOM 1214 C ARG A 77 -4.215 -6.242 7.722 1.00 0.00 C ATOM 1215 O ARG A 77 -5.387 -6.406 7.383 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.209 -5.119 9.949 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.649 -6.405 10.558 1.00 0.00 C ATOM 1218 CD ARG A 77 -2.507 -6.101 11.529 1.00 0.00 C ATOM 1219 NE ARG A 77 -3.021 -5.352 12.698 1.00 0.00 N ATOM 1220 CZ ARG A 77 -3.581 -5.927 13.771 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -3.703 -7.260 13.831 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -4.020 -5.168 14.785 1.00 0.00 N ATOM 0 H ARG A 77 -5.316 -3.961 7.463 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.714 -4.865 8.430 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.850 -4.259 10.514 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.296 -5.119 10.026 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.442 -6.939 11.080 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.291 -7.061 9.765 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.042 -7.030 11.858 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.735 -5.519 11.025 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.944 -4.335 12.686 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.369 -7.838 13.060 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.129 -7.697 14.648 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.928 -4.153 14.740 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.446 -5.605 15.602 1.00 0.00 H new ATOM 1236 N MET A 78 -3.236 -7.100 7.477 1.00 0.00 N ATOM 1237 CA MET A 78 -3.489 -8.340 6.764 1.00 0.00 C ATOM 1238 C MET A 78 -3.390 -9.543 7.703 1.00 0.00 C ATOM 1239 O MET A 78 -2.554 -9.564 8.606 1.00 0.00 O ATOM 1240 CB MET A 78 -2.472 -8.493 5.630 1.00 0.00 C ATOM 1241 CG MET A 78 -2.828 -7.589 4.448 1.00 0.00 C ATOM 1242 SD MET A 78 -1.529 -7.643 3.225 1.00 0.00 S ATOM 1243 CE MET A 78 -2.254 -6.617 1.957 1.00 0.00 C ATOM 0 H MET A 78 -2.266 -6.961 7.760 1.00 0.00 H new ATOM 0 HA MET A 78 -4.499 -8.303 6.357 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.475 -8.245 5.995 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.442 -9.532 5.302 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.770 -7.911 4.004 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.972 -6.565 4.793 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.479 -6.004 1.497 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.715 -7.248 1.198 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.012 -5.971 2.401 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.257 -10.515 7.460 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.278 -11.720 8.274 1.00 0.00 C ATOM 1255 C VAL A 79 -4.395 -12.943 7.363 1.00 0.00 C ATOM 1256 O VAL A 79 -5.363 -13.075 6.614 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.403 -11.633 9.307 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.481 -12.913 10.141 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.233 -10.403 10.202 1.00 0.00 C ATOM 0 H VAL A 79 -4.950 -10.493 6.712 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.348 -11.820 8.834 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.345 -11.526 8.769 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.289 -12.825 10.868 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.673 -13.763 9.486 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.537 -13.064 10.664 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.046 -10.365 10.927 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.280 -10.465 10.728 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.251 -9.502 9.589 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.397 -13.809 7.457 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.375 -15.018 6.651 1.00 0.00 C ATOM 1271 C ILE A 80 -4.467 -15.971 7.140 1.00 0.00 C ATOM 1272 O ILE A 80 -4.341 -16.570 8.208 1.00 0.00 O ATOM 1273 CB ILE A 80 -1.976 -15.635 6.648 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.916 -14.591 6.289 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.915 -16.854 5.725 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -1.004 -14.208 4.810 1.00 0.00 C ATOM 0 H ILE A 80 -2.597 -13.697 8.080 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.597 -14.786 5.609 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.756 -15.984 7.657 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.050 -13.703 6.907 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.077 -14.985 6.508 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.909 -17.273 5.742 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.627 -17.605 6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.166 -16.553 4.708 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.240 -13.465 4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.845 -15.094 4.195 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.989 -13.792 4.600 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.514 -16.083 6.336 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.627 -16.954 6.675 1.00 0.00 C ATOM 1290 C ILE A 81 -6.205 -18.411 6.483 1.00 0.00 C ATOM 1291 O ILE A 81 -6.278 -19.211 7.416 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.873 -16.565 5.877 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.315 -15.138 6.210 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -9.000 -17.578 6.090 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.539 -14.971 7.715 1.00 0.00 C ATOM 0 H ILE A 81 -5.615 -15.586 5.451 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.898 -16.836 7.724 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.619 -16.584 4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.559 -14.430 5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.234 -14.904 5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.874 -17.277 5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.670 -18.564 5.763 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.261 -17.615 7.148 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.852 -13.948 7.925 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.313 -15.663 8.047 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.611 -15.183 8.247 1.00 0.00 H new ATOM 1307 N ASN A 82 -5.773 -18.715 5.268 1.00 0.00 N ATOM 1308 CA ASN A 82 -5.339 -20.063 4.943 1.00 0.00 C ATOM 1309 C ASN A 82 -3.862 -20.036 4.544 1.00 0.00 C ATOM 1310 O ASN A 82 -3.314 -18.975 4.246 1.00 0.00 O ATOM 1311 CB ASN A 82 -6.137 -20.629 3.766 1.00 0.00 C ATOM 1312 CG ASN A 82 -6.203 -22.156 3.834 1.00 0.00 C ATOM 1313 OD1 ASN A 82 -5.355 -22.864 3.317 1.00 0.00 O ATOM 1314 ND2 ASN A 82 -7.257 -22.622 4.499 1.00 0.00 N ATOM 0 H ASN A 82 -5.714 -18.051 4.496 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.497 -20.690 5.821 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -7.146 -20.217 3.774 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.675 -20.323 2.828 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.392 -23.628 4.600 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.930 -21.973 4.908 1.00 0.00 H new ATOM 1321 N GLN A 83 -3.259 -21.216 4.549 1.00 0.00 N ATOM 1322 CA GLN A 83 -1.856 -21.341 4.190 1.00 0.00 C ATOM 1323 C GLN A 83 -1.695 -21.341 2.669 1.00 0.00 C ATOM 1324 O GLN A 83 -2.454 -22.002 1.961 1.00 0.00 O ATOM 1325 CB GLN A 83 -1.243 -22.600 4.807 1.00 0.00 C ATOM 1326 CG GLN A 83 0.267 -22.440 4.990 1.00 0.00 C ATOM 1327 CD GLN A 83 0.873 -23.681 5.649 1.00 0.00 C ATOM 1328 OE1 GLN A 83 1.056 -24.718 5.031 1.00 0.00 O ATOM 1329 NE2 GLN A 83 1.175 -23.520 6.934 1.00 0.00 N ATOM 0 H GLN A 83 -3.716 -22.094 4.796 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.320 -20.481 4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.711 -22.802 5.771 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.447 -23.459 4.168 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.739 -22.271 4.022 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.472 -21.562 5.602 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.996 -22.626 7.392 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.585 -24.290 7.462 1.00 0.00 H new ATOM 1338 N SER A 84 -0.702 -20.594 2.211 1.00 0.00 N ATOM 1339 CA SER A 84 -0.431 -20.499 0.786 1.00 0.00 C ATOM 1340 C SER A 84 1.069 -20.317 0.550 1.00 0.00 C ATOM 1341 O SER A 84 1.813 -19.995 1.475 1.00 0.00 O ATOM 1342 CB SER A 84 -1.212 -19.347 0.153 1.00 0.00 C ATOM 1343 OG SER A 84 -1.660 -19.664 -1.163 1.00 0.00 O ATOM 0 H SER A 84 -0.074 -20.048 2.801 1.00 0.00 H new ATOM 0 HA SER A 84 -0.757 -21.426 0.313 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.070 -19.104 0.779 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.582 -18.458 0.117 1.00 0.00 H new ATOM 0 HG SER A 84 -2.156 -18.903 -1.532 1.00 0.00 H new ATOM 1349 N GLY A 85 1.470 -20.529 -0.696 1.00 0.00 N ATOM 1350 CA GLY A 85 2.868 -20.392 -1.065 1.00 0.00 C ATOM 1351 C GLY A 85 3.155 -18.995 -1.619 1.00 0.00 C ATOM 1352 O GLY A 85 2.284 -18.374 -2.227 1.00 0.00 O ATOM 0 H GLY A 85 0.851 -20.794 -1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.497 -20.578 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.126 -21.143 -1.812 1.00 0.00 H new ATOM 1356 N PRO A 86 4.410 -18.529 -1.384 1.00 0.00 N ATOM 1357 CA PRO A 86 4.822 -17.217 -1.852 1.00 0.00 C ATOM 1358 C PRO A 86 5.072 -17.228 -3.362 1.00 0.00 C ATOM 1359 O PRO A 86 4.855 -18.241 -4.024 1.00 0.00 O ATOM 1360 CB PRO A 86 6.067 -16.885 -1.046 1.00 0.00 C ATOM 1361 CG PRO A 86 6.572 -18.208 -0.495 1.00 0.00 C ATOM 1362 CD PRO A 86 5.468 -19.238 -0.668 1.00 0.00 C ATOM 0 HA PRO A 86 4.055 -16.457 -1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 86 6.822 -16.409 -1.672 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.836 -16.189 -0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.473 -18.522 -1.022 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.838 -18.107 0.557 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.818 -20.103 -1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 86 5.116 -19.607 0.295 1.00 0.00 H new ATOM 1370 N SER A 87 5.523 -16.087 -3.862 1.00 0.00 N ATOM 1371 CA SER A 87 5.805 -15.952 -5.282 1.00 0.00 C ATOM 1372 C SER A 87 7.300 -15.707 -5.497 1.00 0.00 C ATOM 1373 O SER A 87 7.938 -16.399 -6.290 1.00 0.00 O ATOM 1374 CB SER A 87 4.987 -14.816 -5.899 1.00 0.00 C ATOM 1375 OG SER A 87 5.430 -13.537 -5.458 1.00 0.00 O ATOM 0 H SER A 87 5.700 -15.248 -3.310 1.00 0.00 H new ATOM 0 HA SER A 87 5.520 -16.880 -5.778 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.056 -14.868 -6.986 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.936 -14.944 -5.640 1.00 0.00 H new ATOM 0 HG SER A 87 4.883 -12.839 -5.876 1.00 0.00 H new ATOM 1381 N SER A 88 7.815 -14.720 -4.779 1.00 0.00 N ATOM 1382 CA SER A 88 9.223 -14.376 -4.882 1.00 0.00 C ATOM 1383 C SER A 88 9.899 -14.520 -3.517 1.00 0.00 C ATOM 1384 O SER A 88 9.484 -13.892 -2.545 1.00 0.00 O ATOM 1385 CB SER A 88 9.404 -12.953 -5.415 1.00 0.00 C ATOM 1386 OG SER A 88 10.686 -12.765 -6.008 1.00 0.00 O ATOM 0 H SER A 88 7.283 -14.148 -4.124 1.00 0.00 H new ATOM 0 HA SER A 88 9.692 -15.063 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.629 -12.740 -6.151 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.273 -12.241 -4.600 1.00 0.00 H new ATOM 0 HG SER A 88 10.762 -11.845 -6.338 1.00 0.00 H new ATOM 1392 N GLY A 89 10.929 -15.354 -3.487 1.00 0.00 N ATOM 1393 CA GLY A 89 11.667 -15.588 -2.258 1.00 0.00 C ATOM 1394 C GLY A 89 12.070 -14.268 -1.600 1.00 0.00 C ATOM 1395 O GLY A 89 13.242 -13.892 -1.624 1.00 0.00 O ATOM 0 H GLY A 89 11.269 -15.876 -4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.056 -16.170 -1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.558 -16.179 -2.472 1.00 0.00 H new TER 1399 GLY A 89