USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 885 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 104 ASN : amide:sc= -6.58! C(o=-11!,f=-7.5!) USER MOD Set 1.2: A 105 ASN : amide:sc= -4.07! C(o=-11!,f=-8.7!) USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 6 SER OG : rot 170:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00654 USER MOD Single : A 10 ASN : amide:sc=-0.00261 X(o=-0.0026,f=-0.028) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 27 ASN : amide:sc= -1.1! C(o=-1.1!,f=-5.3!) USER MOD Single : A 31 SER OG : rot 73:sc= 0.662 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 141:sc= -1.73 (180deg=-4.64!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -3.26! C(o=-3.3!,f=-3.7!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -140:sc= -2.39 (180deg=-4.74!) USER MOD Single : A 68 SER OG : rot -82:sc= 0.0685 USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000579) USER MOD Single : A 73 SER OG : rot 180:sc= 0.0722 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -143:sc= -2.08 (180deg=-3.32!) USER MOD Single : A 86 SER OG : rot -11:sc= -0.318 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc=-0.000207 X(o=-0.00021,f=-0.49) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.382 7.208 -20.211 1.00 0.00 N ATOM 2 CA GLY A 1 -9.597 6.040 -19.850 1.00 0.00 C ATOM 3 C GLY A 1 -8.172 6.148 -20.396 1.00 0.00 C ATOM 4 O GLY A 1 -7.952 6.015 -21.599 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.345 7.111 -19.829 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.937 8.061 -19.816 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.427 7.289 -21.247 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.568 5.938 -18.765 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.074 5.142 -20.242 1.00 0.00 H new ATOM 8 N SER A 2 -7.240 6.389 -19.485 1.00 0.00 N ATOM 9 CA SER A 2 -5.842 6.516 -19.859 1.00 0.00 C ATOM 10 C SER A 2 -5.653 7.732 -20.768 1.00 0.00 C ATOM 11 O SER A 2 -6.625 8.293 -21.272 1.00 0.00 O ATOM 12 CB SER A 2 -5.341 5.250 -20.556 1.00 0.00 C ATOM 13 OG SER A 2 -4.276 4.631 -19.839 1.00 0.00 O ATOM 0 H SER A 2 -7.426 6.500 -18.488 1.00 0.00 H new ATOM 0 HA SER A 2 -5.256 6.654 -18.950 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.165 4.544 -20.662 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.004 5.499 -21.562 1.00 0.00 H new ATOM 0 HG SER A 2 -3.986 3.825 -20.316 1.00 0.00 H new ATOM 19 N SER A 3 -4.394 8.105 -20.950 1.00 0.00 N ATOM 20 CA SER A 3 -4.065 9.244 -21.789 1.00 0.00 C ATOM 21 C SER A 3 -2.547 9.359 -21.944 1.00 0.00 C ATOM 22 O SER A 3 -2.028 9.312 -23.058 1.00 0.00 O ATOM 23 CB SER A 3 -4.638 10.539 -21.210 1.00 0.00 C ATOM 24 OG SER A 3 -4.303 10.703 -19.834 1.00 0.00 O ATOM 0 H SER A 3 -3.590 7.638 -20.530 1.00 0.00 H new ATOM 0 HA SER A 3 -4.514 9.086 -22.770 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.260 11.389 -21.779 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.722 10.537 -21.321 1.00 0.00 H new ATOM 0 HG SER A 3 -4.686 11.542 -19.502 1.00 0.00 H new ATOM 30 N GLY A 4 -1.878 9.507 -20.810 1.00 0.00 N ATOM 31 CA GLY A 4 -0.430 9.628 -20.806 1.00 0.00 C ATOM 32 C GLY A 4 0.195 8.702 -19.760 1.00 0.00 C ATOM 33 O GLY A 4 -0.342 7.634 -19.472 1.00 0.00 O ATOM 0 H GLY A 4 -2.312 9.546 -19.888 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.038 9.384 -21.793 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.148 10.660 -20.598 1.00 0.00 H new ATOM 37 N SER A 5 1.321 9.147 -19.221 1.00 0.00 N ATOM 38 CA SER A 5 2.024 8.371 -18.213 1.00 0.00 C ATOM 39 C SER A 5 3.109 9.228 -17.557 1.00 0.00 C ATOM 40 O SER A 5 3.062 9.483 -16.355 1.00 0.00 O ATOM 41 CB SER A 5 2.639 7.109 -18.820 1.00 0.00 C ATOM 42 OG SER A 5 3.430 6.393 -17.874 1.00 0.00 O ATOM 0 H SER A 5 1.763 10.034 -19.463 1.00 0.00 H new ATOM 0 HA SER A 5 1.305 8.063 -17.454 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.845 6.462 -19.193 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.256 7.382 -19.676 1.00 0.00 H new ATOM 0 HG SER A 5 3.804 5.593 -18.299 1.00 0.00 H new ATOM 48 N SER A 6 4.062 9.649 -18.376 1.00 0.00 N ATOM 49 CA SER A 6 5.157 10.471 -17.891 1.00 0.00 C ATOM 50 C SER A 6 6.089 10.837 -19.047 1.00 0.00 C ATOM 51 O SER A 6 6.516 9.967 -19.804 1.00 0.00 O ATOM 52 CB SER A 6 5.937 9.755 -16.787 1.00 0.00 C ATOM 53 OG SER A 6 6.450 8.499 -17.224 1.00 0.00 O ATOM 0 H SER A 6 4.098 9.436 -19.373 1.00 0.00 H new ATOM 0 HA SER A 6 4.737 11.384 -17.468 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.761 10.388 -16.456 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.287 9.601 -15.925 1.00 0.00 H new ATOM 0 HG SER A 6 7.072 8.148 -16.553 1.00 0.00 H new ATOM 59 N GLY A 7 6.378 12.126 -19.148 1.00 0.00 N ATOM 60 CA GLY A 7 7.252 12.618 -20.199 1.00 0.00 C ATOM 61 C GLY A 7 8.691 12.756 -19.696 1.00 0.00 C ATOM 62 O GLY A 7 9.376 11.757 -19.483 1.00 0.00 O ATOM 0 H GLY A 7 6.022 12.845 -18.518 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.224 11.936 -21.049 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.893 13.584 -20.553 1.00 0.00 H new ATOM 66 N ASP A 8 9.105 14.002 -19.522 1.00 0.00 N ATOM 67 CA ASP A 8 10.449 14.284 -19.048 1.00 0.00 C ATOM 68 C ASP A 8 10.640 15.799 -18.939 1.00 0.00 C ATOM 69 O ASP A 8 10.941 16.462 -19.930 1.00 0.00 O ATOM 70 CB ASP A 8 11.501 13.744 -20.019 1.00 0.00 C ATOM 71 CG ASP A 8 12.524 12.791 -19.400 1.00 0.00 C ATOM 72 OD1 ASP A 8 12.096 11.697 -18.974 1.00 0.00 O ATOM 73 OD2 ASP A 8 13.713 13.177 -19.367 1.00 0.00 O ATOM 0 H ASP A 8 8.534 14.828 -19.701 1.00 0.00 H new ATOM 0 HA ASP A 8 10.572 13.802 -18.078 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.991 13.227 -20.832 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.033 14.587 -20.460 1.00 0.00 H new ATOM 78 N ASP A 9 10.457 16.301 -17.727 1.00 0.00 N ATOM 79 CA ASP A 9 10.605 17.724 -17.476 1.00 0.00 C ATOM 80 C ASP A 9 9.973 18.068 -16.126 1.00 0.00 C ATOM 81 O ASP A 9 8.755 18.207 -16.024 1.00 0.00 O ATOM 82 CB ASP A 9 9.898 18.550 -18.553 1.00 0.00 C ATOM 83 CG ASP A 9 10.823 19.393 -19.432 1.00 0.00 C ATOM 84 OD1 ASP A 9 11.809 19.922 -18.875 1.00 0.00 O ATOM 85 OD2 ASP A 9 10.524 19.490 -20.642 1.00 0.00 O ATOM 0 H ASP A 9 10.207 15.747 -16.908 1.00 0.00 H new ATOM 0 HA ASP A 9 11.669 17.958 -17.482 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.330 17.875 -19.193 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.179 19.211 -18.069 1.00 0.00 H new ATOM 90 N ASN A 10 10.829 18.196 -15.123 1.00 0.00 N ATOM 91 CA ASN A 10 10.370 18.521 -13.784 1.00 0.00 C ATOM 92 C ASN A 10 9.600 19.843 -13.820 1.00 0.00 C ATOM 93 O ASN A 10 8.491 19.934 -13.297 1.00 0.00 O ATOM 94 CB ASN A 10 11.548 18.687 -12.822 1.00 0.00 C ATOM 95 CG ASN A 10 11.076 19.194 -11.458 1.00 0.00 C ATOM 96 OD1 ASN A 10 10.103 18.721 -10.894 1.00 0.00 O ATOM 97 ND2 ASN A 10 11.817 20.179 -10.961 1.00 0.00 N ATOM 0 H ASN A 10 11.839 18.080 -15.211 1.00 0.00 H new ATOM 0 HA ASN A 10 9.735 17.705 -13.439 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.061 17.733 -12.701 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.270 19.386 -13.243 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.584 20.585 -10.055 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.619 20.529 -11.486 1.00 0.00 H new ATOM 104 N GLU A 11 10.219 20.835 -14.443 1.00 0.00 N ATOM 105 CA GLU A 11 9.606 22.147 -14.555 1.00 0.00 C ATOM 106 C GLU A 11 8.115 22.012 -14.867 1.00 0.00 C ATOM 107 O GLU A 11 7.277 22.589 -14.175 1.00 0.00 O ATOM 108 CB GLU A 11 10.314 22.994 -15.615 1.00 0.00 C ATOM 109 CG GLU A 11 11.071 24.157 -14.971 1.00 0.00 C ATOM 110 CD GLU A 11 10.310 25.473 -15.147 1.00 0.00 C ATOM 111 OE1 GLU A 11 10.395 26.033 -16.260 1.00 0.00 O ATOM 112 OE2 GLU A 11 9.659 25.887 -14.163 1.00 0.00 O ATOM 0 H GLU A 11 11.139 20.756 -14.876 1.00 0.00 H new ATOM 0 HA GLU A 11 9.711 22.658 -13.598 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.008 22.371 -16.179 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.583 23.380 -16.325 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.217 23.957 -13.910 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.061 24.243 -15.418 1.00 0.00 H new ATOM 119 N ARG A 12 7.828 21.246 -15.910 1.00 0.00 N ATOM 120 CA ARG A 12 6.452 21.027 -16.322 1.00 0.00 C ATOM 121 C ARG A 12 5.714 20.182 -15.282 1.00 0.00 C ATOM 122 O ARG A 12 4.708 20.617 -14.723 1.00 0.00 O ATOM 123 CB ARG A 12 6.389 20.323 -17.679 1.00 0.00 C ATOM 124 CG ARG A 12 6.728 21.290 -18.815 1.00 0.00 C ATOM 125 CD ARG A 12 6.141 20.805 -20.142 1.00 0.00 C ATOM 126 NE ARG A 12 5.263 21.847 -20.719 1.00 0.00 N ATOM 127 CZ ARG A 12 4.457 21.652 -21.772 1.00 0.00 C ATOM 128 NH1 ARG A 12 4.414 20.454 -22.369 1.00 0.00 N ATOM 129 NH2 ARG A 12 3.695 22.656 -22.227 1.00 0.00 N ATOM 0 H ARG A 12 8.525 20.769 -16.482 1.00 0.00 H new ATOM 0 HA ARG A 12 5.973 22.002 -16.409 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.086 19.485 -17.690 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.392 19.911 -17.833 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.339 22.281 -18.582 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.810 21.385 -18.905 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.945 20.568 -20.839 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.575 19.887 -19.985 1.00 0.00 H new ATOM 0 HE ARG A 12 5.272 22.772 -20.288 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.994 19.690 -22.022 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.801 20.305 -23.170 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.728 23.568 -21.772 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.082 22.508 -23.028 1.00 0.00 H new ATOM 143 N LEU A 13 6.243 18.989 -15.053 1.00 0.00 N ATOM 144 CA LEU A 13 5.647 18.079 -14.089 1.00 0.00 C ATOM 145 C LEU A 13 5.261 18.857 -12.830 1.00 0.00 C ATOM 146 O LEU A 13 4.162 19.403 -12.746 1.00 0.00 O ATOM 147 CB LEU A 13 6.581 16.897 -13.820 1.00 0.00 C ATOM 148 CG LEU A 13 6.873 15.987 -15.015 1.00 0.00 C ATOM 149 CD1 LEU A 13 8.047 15.053 -14.718 1.00 0.00 C ATOM 150 CD2 LEU A 13 5.621 15.218 -15.438 1.00 0.00 C ATOM 0 H LEU A 13 7.077 18.631 -15.518 1.00 0.00 H new ATOM 0 HA LEU A 13 4.730 17.646 -14.490 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.528 17.286 -13.445 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.148 16.291 -13.024 1.00 0.00 H new ATOM 0 HG LEU A 13 7.165 16.613 -15.858 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.234 14.417 -15.583 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.937 15.644 -14.503 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.808 14.431 -13.855 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.857 14.579 -16.289 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.274 14.603 -14.608 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.839 15.923 -15.719 1.00 0.00 H new ATOM 162 N SER A 14 6.187 18.883 -11.882 1.00 0.00 N ATOM 163 CA SER A 14 5.957 19.586 -10.631 1.00 0.00 C ATOM 164 C SER A 14 4.874 18.871 -9.821 1.00 0.00 C ATOM 165 O SER A 14 5.173 18.187 -8.844 1.00 0.00 O ATOM 166 CB SER A 14 5.560 21.042 -10.882 1.00 0.00 C ATOM 167 OG SER A 14 5.467 21.786 -9.670 1.00 0.00 O ATOM 0 H SER A 14 7.097 18.429 -11.955 1.00 0.00 H new ATOM 0 HA SER A 14 6.887 19.585 -10.062 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.293 21.510 -11.539 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.602 21.072 -11.401 1.00 0.00 H new ATOM 0 HG SER A 14 5.213 22.711 -9.872 1.00 0.00 H new ATOM 173 N LYS A 15 3.636 19.056 -10.257 1.00 0.00 N ATOM 174 CA LYS A 15 2.506 18.437 -9.585 1.00 0.00 C ATOM 175 C LYS A 15 2.472 16.945 -9.921 1.00 0.00 C ATOM 176 O LYS A 15 2.233 16.114 -9.046 1.00 0.00 O ATOM 177 CB LYS A 15 1.210 19.175 -9.927 1.00 0.00 C ATOM 178 CG LYS A 15 0.192 19.051 -8.792 1.00 0.00 C ATOM 179 CD LYS A 15 -1.035 18.254 -9.240 1.00 0.00 C ATOM 180 CE LYS A 15 -2.255 19.164 -9.391 1.00 0.00 C ATOM 181 NZ LYS A 15 -3.401 18.408 -9.943 1.00 0.00 N ATOM 0 H LYS A 15 3.391 19.626 -11.067 1.00 0.00 H new ATOM 0 HA LYS A 15 2.615 18.517 -8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.425 20.227 -10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.787 18.768 -10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.655 18.561 -7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.115 20.044 -8.464 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.826 17.760 -10.189 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.249 17.470 -8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.523 19.586 -8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.013 20.000 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.221 19.041 -10.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.148 18.026 -10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.641 17.625 -9.302 1.00 0.00 H new ATOM 195 N VAL A 16 2.715 16.651 -11.190 1.00 0.00 N ATOM 196 CA VAL A 16 2.715 15.274 -11.652 1.00 0.00 C ATOM 197 C VAL A 16 3.844 14.508 -10.959 1.00 0.00 C ATOM 198 O VAL A 16 3.631 13.409 -10.449 1.00 0.00 O ATOM 199 CB VAL A 16 2.815 15.234 -13.178 1.00 0.00 C ATOM 200 CG1 VAL A 16 2.647 13.806 -13.702 1.00 0.00 C ATOM 201 CG2 VAL A 16 1.795 16.177 -13.819 1.00 0.00 C ATOM 0 H VAL A 16 2.913 17.343 -11.912 1.00 0.00 H new ATOM 0 HA VAL A 16 1.779 14.783 -11.388 1.00 0.00 H new ATOM 0 HB VAL A 16 3.811 15.578 -13.457 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.722 13.806 -14.789 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.428 13.171 -13.284 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.671 13.422 -13.406 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.887 16.129 -14.904 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.789 15.877 -13.527 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.981 17.197 -13.483 1.00 0.00 H new ATOM 211 N GLU A 17 5.019 15.119 -10.961 1.00 0.00 N ATOM 212 CA GLU A 17 6.182 14.509 -10.339 1.00 0.00 C ATOM 213 C GLU A 17 5.849 14.068 -8.912 1.00 0.00 C ATOM 214 O GLU A 17 6.409 13.092 -8.414 1.00 0.00 O ATOM 215 CB GLU A 17 7.377 15.464 -10.353 1.00 0.00 C ATOM 216 CG GLU A 17 8.492 14.933 -11.256 1.00 0.00 C ATOM 217 CD GLU A 17 9.718 14.530 -10.435 1.00 0.00 C ATOM 218 OE1 GLU A 17 10.347 15.448 -9.866 1.00 0.00 O ATOM 219 OE2 GLU A 17 9.998 13.312 -10.393 1.00 0.00 O ATOM 0 H GLU A 17 5.191 16.031 -11.384 1.00 0.00 H new ATOM 0 HA GLU A 17 6.458 13.627 -10.917 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.058 16.446 -10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.756 15.593 -9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.129 14.074 -11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.771 15.696 -11.982 1.00 0.00 H new ATOM 226 N LYS A 18 4.941 14.808 -8.294 1.00 0.00 N ATOM 227 CA LYS A 18 4.527 14.506 -6.934 1.00 0.00 C ATOM 228 C LYS A 18 3.656 13.248 -6.939 1.00 0.00 C ATOM 229 O LYS A 18 3.951 12.282 -6.237 1.00 0.00 O ATOM 230 CB LYS A 18 3.851 15.721 -6.297 1.00 0.00 C ATOM 231 CG LYS A 18 4.806 16.445 -5.347 1.00 0.00 C ATOM 232 CD LYS A 18 4.849 15.755 -3.982 1.00 0.00 C ATOM 233 CE LYS A 18 3.669 16.191 -3.110 1.00 0.00 C ATOM 234 NZ LYS A 18 3.967 17.476 -2.439 1.00 0.00 N ATOM 0 H LYS A 18 4.480 15.617 -8.710 1.00 0.00 H new ATOM 0 HA LYS A 18 5.394 14.291 -6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.519 16.407 -7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.962 15.403 -5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.807 16.467 -5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.488 17.480 -5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.827 14.674 -4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.786 15.994 -3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.774 16.293 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.458 15.425 -2.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.156 17.757 -1.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.809 17.367 -1.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.146 18.208 -3.155 1.00 0.00 H new ATOM 248 N ALA A 19 2.599 13.302 -7.737 1.00 0.00 N ATOM 249 CA ALA A 19 1.683 12.179 -7.841 1.00 0.00 C ATOM 250 C ALA A 19 2.452 10.940 -8.304 1.00 0.00 C ATOM 251 O ALA A 19 2.370 9.885 -7.678 1.00 0.00 O ATOM 252 CB ALA A 19 0.537 12.542 -8.788 1.00 0.00 C ATOM 0 H ALA A 19 2.357 14.105 -8.317 1.00 0.00 H new ATOM 0 HA ALA A 19 1.244 11.950 -6.870 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.151 11.700 -8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.005 13.410 -8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.940 12.775 -9.774 1.00 0.00 H new ATOM 258 N ARG A 20 3.180 11.110 -9.398 1.00 0.00 N ATOM 259 CA ARG A 20 3.963 10.018 -9.952 1.00 0.00 C ATOM 260 C ARG A 20 4.711 9.282 -8.839 1.00 0.00 C ATOM 261 O ARG A 20 4.460 8.104 -8.592 1.00 0.00 O ATOM 262 CB ARG A 20 4.972 10.532 -10.981 1.00 0.00 C ATOM 263 CG ARG A 20 5.112 9.552 -12.148 1.00 0.00 C ATOM 264 CD ARG A 20 6.583 9.250 -12.438 1.00 0.00 C ATOM 265 NE ARG A 20 6.850 7.806 -12.251 1.00 0.00 N ATOM 266 CZ ARG A 20 6.593 6.869 -13.174 1.00 0.00 C ATOM 267 NH1 ARG A 20 6.061 7.218 -14.353 1.00 0.00 N ATOM 268 NH2 ARG A 20 6.868 5.583 -12.917 1.00 0.00 N ATOM 0 H ARG A 20 3.244 11.987 -9.915 1.00 0.00 H new ATOM 0 HA ARG A 20 3.274 9.333 -10.445 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.652 11.505 -11.355 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.942 10.676 -10.504 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.586 8.626 -11.915 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.641 9.971 -13.037 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.829 9.545 -13.458 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.220 9.835 -11.775 1.00 0.00 H new ATOM 0 HE ARG A 20 7.255 7.505 -11.364 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.852 8.197 -14.548 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.865 6.505 -15.055 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.273 5.318 -12.019 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.673 4.869 -13.619 1.00 0.00 H new ATOM 282 N GLN A 21 5.614 10.008 -8.196 1.00 0.00 N ATOM 283 CA GLN A 21 6.400 9.438 -7.114 1.00 0.00 C ATOM 284 C GLN A 21 5.480 8.829 -6.054 1.00 0.00 C ATOM 285 O GLN A 21 5.591 7.646 -5.736 1.00 0.00 O ATOM 286 CB GLN A 21 7.327 10.488 -6.499 1.00 0.00 C ATOM 287 CG GLN A 21 8.435 10.882 -7.477 1.00 0.00 C ATOM 288 CD GLN A 21 9.513 11.714 -6.778 1.00 0.00 C ATOM 289 OE1 GLN A 21 9.249 12.477 -5.864 1.00 0.00 O ATOM 290 NE2 GLN A 21 10.738 11.525 -7.259 1.00 0.00 N ATOM 0 H GLN A 21 5.819 10.985 -8.403 1.00 0.00 H new ATOM 0 HA GLN A 21 7.025 8.644 -7.523 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.750 11.371 -6.223 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.768 10.096 -5.583 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.883 9.985 -7.905 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.010 11.451 -8.304 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.889 10.870 -8.027 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.527 12.035 -6.860 1.00 0.00 H new ATOM 299 N LEU A 22 4.592 9.665 -5.536 1.00 0.00 N ATOM 300 CA LEU A 22 3.654 9.224 -4.518 1.00 0.00 C ATOM 301 C LEU A 22 3.082 7.861 -4.914 1.00 0.00 C ATOM 302 O LEU A 22 3.122 6.915 -4.129 1.00 0.00 O ATOM 303 CB LEU A 22 2.586 10.292 -4.275 1.00 0.00 C ATOM 304 CG LEU A 22 2.963 11.407 -3.297 1.00 0.00 C ATOM 305 CD1 LEU A 22 1.885 12.492 -3.260 1.00 0.00 C ATOM 306 CD2 LEU A 22 3.255 10.841 -1.906 1.00 0.00 C ATOM 0 H LEU A 22 4.502 10.646 -5.802 1.00 0.00 H new ATOM 0 HA LEU A 22 4.162 9.092 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.330 10.746 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.686 9.800 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 22 3.880 11.877 -3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.178 13.272 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.769 12.924 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.939 12.054 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.520 11.654 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.370 10.330 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.083 10.135 -1.967 1.00 0.00 H new ATOM 318 N ARG A 23 2.562 7.805 -6.132 1.00 0.00 N ATOM 319 CA ARG A 23 1.983 6.574 -6.642 1.00 0.00 C ATOM 320 C ARG A 23 2.954 5.408 -6.444 1.00 0.00 C ATOM 321 O ARG A 23 2.545 4.311 -6.067 1.00 0.00 O ATOM 322 CB ARG A 23 1.643 6.699 -8.128 1.00 0.00 C ATOM 323 CG ARG A 23 0.395 7.560 -8.335 1.00 0.00 C ATOM 324 CD ARG A 23 -0.106 7.462 -9.777 1.00 0.00 C ATOM 325 NE ARG A 23 -0.716 8.745 -10.189 1.00 0.00 N ATOM 326 CZ ARG A 23 -0.840 9.144 -11.462 1.00 0.00 C ATOM 327 NH1 ARG A 23 -0.396 8.361 -12.455 1.00 0.00 N ATOM 328 NH2 ARG A 23 -1.407 10.325 -11.743 1.00 0.00 N ATOM 0 H ARG A 23 2.530 8.592 -6.780 1.00 0.00 H new ATOM 0 HA ARG A 23 1.065 6.385 -6.086 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.485 7.139 -8.662 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.480 5.708 -8.552 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.390 7.239 -7.651 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.622 8.599 -8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.721 7.213 -10.442 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.837 6.658 -9.863 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.064 9.365 -9.458 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.036 7.462 -12.241 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.490 8.664 -13.424 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.745 10.921 -10.987 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.501 10.628 -12.712 1.00 0.00 H new ATOM 342 N GLU A 24 4.223 5.685 -6.708 1.00 0.00 N ATOM 343 CA GLU A 24 5.255 4.673 -6.564 1.00 0.00 C ATOM 344 C GLU A 24 5.409 4.277 -5.094 1.00 0.00 C ATOM 345 O GLU A 24 5.474 3.092 -4.771 1.00 0.00 O ATOM 346 CB GLU A 24 6.585 5.161 -7.142 1.00 0.00 C ATOM 347 CG GLU A 24 6.421 5.604 -8.597 1.00 0.00 C ATOM 348 CD GLU A 24 7.549 5.050 -9.470 1.00 0.00 C ATOM 349 OE1 GLU A 24 8.717 5.201 -9.051 1.00 0.00 O ATOM 350 OE2 GLU A 24 7.218 4.488 -10.536 1.00 0.00 O ATOM 0 H GLU A 24 4.559 6.596 -7.021 1.00 0.00 H new ATOM 0 HA GLU A 24 4.953 3.791 -7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.962 5.992 -6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.326 4.364 -7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.459 5.261 -8.979 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.416 6.693 -8.651 1.00 0.00 H new ATOM 357 N GLN A 25 5.462 5.291 -4.243 1.00 0.00 N ATOM 358 CA GLN A 25 5.606 5.063 -2.816 1.00 0.00 C ATOM 359 C GLN A 25 4.439 4.224 -2.291 1.00 0.00 C ATOM 360 O GLN A 25 4.645 3.143 -1.742 1.00 0.00 O ATOM 361 CB GLN A 25 5.713 6.388 -2.057 1.00 0.00 C ATOM 362 CG GLN A 25 7.166 6.687 -1.680 1.00 0.00 C ATOM 363 CD GLN A 25 7.257 7.258 -0.263 1.00 0.00 C ATOM 364 OE1 GLN A 25 7.145 6.554 0.727 1.00 0.00 O ATOM 365 NE2 GLN A 25 7.467 8.571 -0.222 1.00 0.00 N ATOM 0 H GLN A 25 5.408 6.273 -4.515 1.00 0.00 H new ATOM 0 HA GLN A 25 6.530 4.510 -2.648 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.319 7.197 -2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.101 6.346 -1.156 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.758 5.774 -1.747 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.591 7.396 -2.390 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.551 9.101 -1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.544 9.047 0.677 1.00 0.00 H new ATOM 374 N VAL A 26 3.239 4.754 -2.479 1.00 0.00 N ATOM 375 CA VAL A 26 2.040 4.067 -2.032 1.00 0.00 C ATOM 376 C VAL A 26 2.081 2.614 -2.510 1.00 0.00 C ATOM 377 O VAL A 26 2.023 1.690 -1.701 1.00 0.00 O ATOM 378 CB VAL A 26 0.797 4.819 -2.512 1.00 0.00 C ATOM 379 CG1 VAL A 26 -0.478 4.040 -2.181 1.00 0.00 C ATOM 380 CG2 VAL A 26 0.746 6.229 -1.920 1.00 0.00 C ATOM 0 H VAL A 26 3.072 5.651 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 26 1.993 4.050 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 26 0.861 4.912 -3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.346 4.597 -2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.448 3.067 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.549 3.900 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.147 6.742 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.718 6.166 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.631 6.785 -2.228 1.00 0.00 H new ATOM 390 N ASN A 27 2.181 2.459 -3.822 1.00 0.00 N ATOM 391 CA ASN A 27 2.230 1.134 -4.416 1.00 0.00 C ATOM 392 C ASN A 27 3.135 0.234 -3.572 1.00 0.00 C ATOM 393 O ASN A 27 2.675 -0.751 -2.997 1.00 0.00 O ATOM 394 CB ASN A 27 2.806 1.188 -5.833 1.00 0.00 C ATOM 395 CG ASN A 27 3.096 -0.219 -6.360 1.00 0.00 C ATOM 396 OD1 ASN A 27 3.947 -0.935 -5.857 1.00 0.00 O ATOM 397 ND2 ASN A 27 2.345 -0.573 -7.399 1.00 0.00 N ATOM 0 H ASN A 27 2.229 3.228 -4.490 1.00 0.00 H new ATOM 0 HA ASN A 27 1.213 0.743 -4.454 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.103 1.691 -6.497 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.723 1.777 -5.835 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.463 -1.493 -7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.651 0.075 -7.771 1.00 0.00 H new ATOM 404 N ASP A 28 4.406 0.605 -3.524 1.00 0.00 N ATOM 405 CA ASP A 28 5.380 -0.156 -2.760 1.00 0.00 C ATOM 406 C ASP A 28 4.897 -0.287 -1.314 1.00 0.00 C ATOM 407 O ASP A 28 4.839 -1.390 -0.773 1.00 0.00 O ATOM 408 CB ASP A 28 6.738 0.547 -2.743 1.00 0.00 C ATOM 409 CG ASP A 28 7.950 -0.387 -2.763 1.00 0.00 C ATOM 410 OD1 ASP A 28 8.359 -0.762 -3.883 1.00 0.00 O ATOM 411 OD2 ASP A 28 8.440 -0.705 -1.657 1.00 0.00 O ATOM 0 H ASP A 28 4.784 1.423 -4.002 1.00 0.00 H new ATOM 0 HA ASP A 28 5.487 -1.134 -3.229 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.797 1.212 -3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.795 1.173 -1.852 1.00 0.00 H new ATOM 416 N LEU A 29 4.563 0.854 -0.730 1.00 0.00 N ATOM 417 CA LEU A 29 4.088 0.881 0.643 1.00 0.00 C ATOM 418 C LEU A 29 3.150 -0.305 0.876 1.00 0.00 C ATOM 419 O LEU A 29 3.483 -1.228 1.618 1.00 0.00 O ATOM 420 CB LEU A 29 3.456 2.237 0.965 1.00 0.00 C ATOM 421 CG LEU A 29 2.353 2.228 2.024 1.00 0.00 C ATOM 422 CD1 LEU A 29 2.918 1.877 3.402 1.00 0.00 C ATOM 423 CD2 LEU A 29 1.595 3.557 2.038 1.00 0.00 C ATOM 0 H LEU A 29 4.612 1.767 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 29 4.921 0.771 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.244 2.914 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.045 2.652 0.045 1.00 0.00 H new ATOM 0 HG LEU A 29 1.636 1.450 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.113 1.878 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.376 0.888 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.669 2.615 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.816 3.524 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.287 4.368 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.140 3.727 1.062 1.00 0.00 H new ATOM 435 N PHE A 30 1.996 -0.242 0.229 1.00 0.00 N ATOM 436 CA PHE A 30 1.007 -1.300 0.357 1.00 0.00 C ATOM 437 C PHE A 30 1.645 -2.674 0.145 1.00 0.00 C ATOM 438 O PHE A 30 1.387 -3.606 0.906 1.00 0.00 O ATOM 439 CB PHE A 30 -0.043 -1.064 -0.731 1.00 0.00 C ATOM 440 CG PHE A 30 -1.009 0.082 -0.425 1.00 0.00 C ATOM 441 CD1 PHE A 30 -1.510 0.233 0.830 1.00 0.00 C ATOM 442 CD2 PHE A 30 -1.367 0.950 -1.409 1.00 0.00 C ATOM 443 CE1 PHE A 30 -2.407 1.297 1.113 1.00 0.00 C ATOM 444 CE2 PHE A 30 -2.264 2.014 -1.126 1.00 0.00 C ATOM 445 CZ PHE A 30 -2.765 2.165 0.130 1.00 0.00 C ATOM 0 H PHE A 30 1.723 0.525 -0.386 1.00 0.00 H new ATOM 0 HA PHE A 30 0.569 -1.283 1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.465 -0.856 -1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.616 -1.980 -0.874 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.226 -0.456 1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.969 0.830 -2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.805 1.417 2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.548 2.703 -1.907 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.447 2.974 0.346 1.00 0.00 H new ATOM 455 N SER A 31 2.464 -2.758 -0.892 1.00 0.00 N ATOM 456 CA SER A 31 3.140 -4.003 -1.214 1.00 0.00 C ATOM 457 C SER A 31 3.940 -4.492 -0.004 1.00 0.00 C ATOM 458 O SER A 31 3.797 -5.639 0.415 1.00 0.00 O ATOM 459 CB SER A 31 4.060 -3.833 -2.425 1.00 0.00 C ATOM 460 OG SER A 31 3.489 -2.981 -3.414 1.00 0.00 O ATOM 0 H SER A 31 2.675 -1.983 -1.521 1.00 0.00 H new ATOM 0 HA SER A 31 2.385 -4.747 -1.467 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.015 -3.421 -2.100 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.267 -4.809 -2.863 1.00 0.00 H new ATOM 0 HG SER A 31 3.521 -2.052 -3.103 1.00 0.00 H new ATOM 466 N ARG A 32 4.763 -3.597 0.522 1.00 0.00 N ATOM 467 CA ARG A 32 5.585 -3.923 1.675 1.00 0.00 C ATOM 468 C ARG A 32 4.713 -4.455 2.814 1.00 0.00 C ATOM 469 O ARG A 32 4.853 -5.607 3.222 1.00 0.00 O ATOM 470 CB ARG A 32 6.359 -2.697 2.164 1.00 0.00 C ATOM 471 CG ARG A 32 7.840 -3.027 2.359 1.00 0.00 C ATOM 472 CD ARG A 32 8.574 -1.869 3.039 1.00 0.00 C ATOM 473 NE ARG A 32 10.000 -2.217 3.231 1.00 0.00 N ATOM 474 CZ ARG A 32 10.880 -1.444 3.882 1.00 0.00 C ATOM 475 NH1 ARG A 32 10.487 -0.275 4.406 1.00 0.00 N ATOM 476 NH2 ARG A 32 12.154 -1.840 4.009 1.00 0.00 N ATOM 0 H ARG A 32 4.878 -2.646 0.171 1.00 0.00 H new ATOM 0 HA ARG A 32 6.297 -4.689 1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.255 -1.886 1.444 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.934 -2.345 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.939 -3.929 2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.300 -3.237 1.393 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.490 -0.968 2.432 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.112 -1.650 4.001 1.00 0.00 H new ATOM 0 HE ARG A 32 10.333 -3.100 2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.518 0.027 4.309 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.157 0.313 4.901 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.454 -2.730 3.610 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.824 -1.252 4.504 1.00 0.00 H new ATOM 490 N LYS A 33 3.833 -3.590 3.297 1.00 0.00 N ATOM 491 CA LYS A 33 2.939 -3.958 4.382 1.00 0.00 C ATOM 492 C LYS A 33 2.377 -5.357 4.121 1.00 0.00 C ATOM 493 O LYS A 33 2.631 -6.285 4.887 1.00 0.00 O ATOM 494 CB LYS A 33 1.862 -2.889 4.575 1.00 0.00 C ATOM 495 CG LYS A 33 2.483 -1.556 4.997 1.00 0.00 C ATOM 496 CD LYS A 33 2.775 -1.538 6.499 1.00 0.00 C ATOM 497 CE LYS A 33 3.985 -0.654 6.811 1.00 0.00 C ATOM 498 NZ LYS A 33 4.790 -1.245 7.904 1.00 0.00 N ATOM 0 H LYS A 33 3.720 -2.635 2.957 1.00 0.00 H new ATOM 0 HA LYS A 33 3.483 -4.003 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.305 -2.757 3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.149 -3.218 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.406 -1.389 4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.806 -0.739 4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.902 -1.170 7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.962 -2.553 6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.600 -0.541 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.650 0.343 7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.607 -0.633 8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.204 -1.330 8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.125 -2.187 7.618 1.00 0.00 H new ATOM 512 N PHE A 34 1.623 -5.464 3.036 1.00 0.00 N ATOM 513 CA PHE A 34 1.022 -6.734 2.665 1.00 0.00 C ATOM 514 C PHE A 34 1.987 -7.893 2.923 1.00 0.00 C ATOM 515 O PHE A 34 1.594 -8.923 3.468 1.00 0.00 O ATOM 516 CB PHE A 34 0.718 -6.663 1.167 1.00 0.00 C ATOM 517 CG PHE A 34 0.140 -7.957 0.588 1.00 0.00 C ATOM 518 CD1 PHE A 34 -1.027 -8.457 1.073 1.00 0.00 C ATOM 519 CD2 PHE A 34 0.795 -8.606 -0.412 1.00 0.00 C ATOM 520 CE1 PHE A 34 -1.563 -9.658 0.536 1.00 0.00 C ATOM 521 CE2 PHE A 34 0.259 -9.806 -0.949 1.00 0.00 C ATOM 522 CZ PHE A 34 -0.908 -10.307 -0.464 1.00 0.00 C ATOM 0 H PHE A 34 1.415 -4.692 2.402 1.00 0.00 H new ATOM 0 HA PHE A 34 0.122 -6.907 3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.014 -5.850 0.987 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.635 -6.415 0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.547 -7.941 1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.722 -8.209 -0.797 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.490 -10.056 0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.779 -10.321 -1.743 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.315 -11.220 -0.873 1.00 0.00 H new ATOM 532 N GLY A 35 3.232 -7.686 2.519 1.00 0.00 N ATOM 533 CA GLY A 35 4.256 -8.701 2.699 1.00 0.00 C ATOM 534 C GLY A 35 4.150 -9.347 4.082 1.00 0.00 C ATOM 535 O GLY A 35 4.357 -10.551 4.226 1.00 0.00 O ATOM 0 H GLY A 35 3.555 -6.830 2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.155 -9.465 1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.242 -8.253 2.577 1.00 0.00 H new ATOM 539 N GLU A 36 3.827 -8.518 5.064 1.00 0.00 N ATOM 540 CA GLU A 36 3.690 -8.994 6.430 1.00 0.00 C ATOM 541 C GLU A 36 2.505 -9.956 6.541 1.00 0.00 C ATOM 542 O GLU A 36 2.608 -11.002 7.179 1.00 0.00 O ATOM 543 CB GLU A 36 3.541 -7.825 7.406 1.00 0.00 C ATOM 544 CG GLU A 36 4.654 -6.795 7.201 1.00 0.00 C ATOM 545 CD GLU A 36 5.926 -7.208 7.944 1.00 0.00 C ATOM 546 OE1 GLU A 36 5.900 -7.148 9.192 1.00 0.00 O ATOM 547 OE2 GLU A 36 6.897 -7.575 7.246 1.00 0.00 O ATOM 0 H GLU A 36 3.656 -7.520 4.941 1.00 0.00 H new ATOM 0 HA GLU A 36 4.598 -9.535 6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.570 -7.350 7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.568 -8.196 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.867 -6.691 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.322 -5.819 7.556 1.00 0.00 H new ATOM 554 N ALA A 37 1.407 -9.566 5.911 1.00 0.00 N ATOM 555 CA ALA A 37 0.204 -10.381 5.931 1.00 0.00 C ATOM 556 C ALA A 37 0.528 -11.775 5.392 1.00 0.00 C ATOM 557 O ALA A 37 -0.227 -12.721 5.612 1.00 0.00 O ATOM 558 CB ALA A 37 -0.897 -9.686 5.127 1.00 0.00 C ATOM 0 H ALA A 37 1.325 -8.697 5.384 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.162 -10.499 6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.799 -10.297 5.142 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.111 -8.713 5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.566 -9.552 4.097 1.00 0.00 H new ATOM 564 N ILE A 38 1.652 -11.859 4.696 1.00 0.00 N ATOM 565 CA ILE A 38 2.086 -13.123 4.124 1.00 0.00 C ATOM 566 C ILE A 38 3.437 -13.514 4.727 1.00 0.00 C ATOM 567 O ILE A 38 4.131 -14.379 4.194 1.00 0.00 O ATOM 568 CB ILE A 38 2.094 -13.044 2.596 1.00 0.00 C ATOM 569 CG1 ILE A 38 2.630 -11.693 2.119 1.00 0.00 C ATOM 570 CG2 ILE A 38 0.706 -13.344 2.025 1.00 0.00 C ATOM 571 CD1 ILE A 38 2.501 -11.557 0.601 1.00 0.00 C ATOM 0 H ILE A 38 2.276 -11.072 4.515 1.00 0.00 H new ATOM 0 HA ILE A 38 1.383 -13.917 4.376 1.00 0.00 H new ATOM 0 HB ILE A 38 2.771 -13.810 2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.082 -10.887 2.608 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.675 -11.589 2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.739 -13.281 0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.400 -14.347 2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.010 -12.617 2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.889 -10.588 0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.070 -12.350 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.452 -11.637 0.316 1.00 0.00 H new ATOM 583 N GLY A 39 3.769 -12.858 5.829 1.00 0.00 N ATOM 584 CA GLY A 39 5.024 -13.126 6.510 1.00 0.00 C ATOM 585 C GLY A 39 6.199 -13.084 5.530 1.00 0.00 C ATOM 586 O GLY A 39 7.264 -13.633 5.809 1.00 0.00 O ATOM 0 H GLY A 39 3.190 -12.141 6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.178 -12.391 7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.980 -14.104 6.989 1.00 0.00 H new ATOM 590 N MET A 40 5.965 -12.426 4.404 1.00 0.00 N ATOM 591 CA MET A 40 6.991 -12.305 3.382 1.00 0.00 C ATOM 592 C MET A 40 8.038 -11.262 3.777 1.00 0.00 C ATOM 593 O MET A 40 7.714 -10.266 4.423 1.00 0.00 O ATOM 594 CB MET A 40 6.344 -11.902 2.055 1.00 0.00 C ATOM 595 CG MET A 40 5.429 -13.011 1.532 1.00 0.00 C ATOM 596 SD MET A 40 6.404 -14.302 0.777 1.00 0.00 S ATOM 597 CE MET A 40 5.628 -14.377 -0.829 1.00 0.00 C ATOM 0 H MET A 40 5.081 -11.971 4.177 1.00 0.00 H new ATOM 0 HA MET A 40 7.488 -13.269 3.276 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.770 -10.985 2.190 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.119 -11.687 1.319 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.838 -13.422 2.350 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.727 -12.602 0.805 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.389 -14.529 -1.594 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.919 -15.205 -0.852 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.101 -13.443 -1.022 1.00 0.00 H new ATOM 607 N GLY A 41 9.272 -11.526 3.373 1.00 0.00 N ATOM 608 CA GLY A 41 10.368 -10.622 3.677 1.00 0.00 C ATOM 609 C GLY A 41 10.589 -9.625 2.538 1.00 0.00 C ATOM 610 O GLY A 41 11.717 -9.201 2.289 1.00 0.00 O ATOM 0 H GLY A 41 9.537 -12.353 2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.154 -10.083 4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.280 -11.195 3.846 1.00 0.00 H new ATOM 614 N PHE A 42 9.495 -9.280 1.875 1.00 0.00 N ATOM 615 CA PHE A 42 9.555 -8.341 0.768 1.00 0.00 C ATOM 616 C PHE A 42 8.153 -7.876 0.367 1.00 0.00 C ATOM 617 O PHE A 42 7.158 -8.489 0.751 1.00 0.00 O ATOM 618 CB PHE A 42 10.191 -9.080 -0.411 1.00 0.00 C ATOM 619 CG PHE A 42 9.738 -10.534 -0.552 1.00 0.00 C ATOM 620 CD1 PHE A 42 8.423 -10.820 -0.750 1.00 0.00 C ATOM 621 CD2 PHE A 42 10.649 -11.541 -0.479 1.00 0.00 C ATOM 622 CE1 PHE A 42 8.002 -12.170 -0.881 1.00 0.00 C ATOM 623 CE2 PHE A 42 10.228 -12.891 -0.610 1.00 0.00 C ATOM 624 CZ PHE A 42 8.913 -13.177 -0.808 1.00 0.00 C ATOM 0 H PHE A 42 8.561 -9.634 2.083 1.00 0.00 H new ATOM 0 HA PHE A 42 10.132 -7.462 1.056 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.955 -8.546 -1.331 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.275 -9.057 -0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.699 -10.021 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.693 -11.314 -0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.958 -12.397 -1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.952 -13.690 -0.552 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.592 -14.204 -0.907 1.00 0.00 H new ATOM 634 N PRO A 43 8.119 -6.769 -0.421 1.00 0.00 N ATOM 635 CA PRO A 43 6.856 -6.215 -0.879 1.00 0.00 C ATOM 636 C PRO A 43 6.255 -7.070 -1.996 1.00 0.00 C ATOM 637 O PRO A 43 6.879 -7.266 -3.037 1.00 0.00 O ATOM 638 CB PRO A 43 7.186 -4.800 -1.327 1.00 0.00 C ATOM 639 CG PRO A 43 8.691 -4.771 -1.539 1.00 0.00 C ATOM 640 CD PRO A 43 9.277 -6.017 -0.896 1.00 0.00 C ATOM 0 HA PRO A 43 6.094 -6.205 -0.099 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.657 -4.548 -2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.883 -4.071 -0.575 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.926 -4.744 -2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.122 -3.874 -1.095 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.858 -6.597 -1.613 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.947 -5.761 -0.075 1.00 0.00 H new ATOM 648 N VAL A 44 5.049 -7.557 -1.740 1.00 0.00 N ATOM 649 CA VAL A 44 4.356 -8.387 -2.711 1.00 0.00 C ATOM 650 C VAL A 44 3.176 -7.607 -3.293 1.00 0.00 C ATOM 651 O VAL A 44 2.650 -6.699 -2.650 1.00 0.00 O ATOM 652 CB VAL A 44 3.939 -9.710 -2.066 1.00 0.00 C ATOM 653 CG1 VAL A 44 3.440 -10.701 -3.119 1.00 0.00 C ATOM 654 CG2 VAL A 44 5.086 -10.308 -1.249 1.00 0.00 C ATOM 0 H VAL A 44 4.535 -7.393 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 44 5.018 -8.639 -3.539 1.00 0.00 H new ATOM 0 HB VAL A 44 3.114 -9.504 -1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.150 -11.633 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.579 -10.279 -3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.235 -10.899 -3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.763 -11.248 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.940 -10.491 -1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.374 -9.611 -0.462 1.00 0.00 H new ATOM 664 N LYS A 45 2.794 -7.989 -4.503 1.00 0.00 N ATOM 665 CA LYS A 45 1.685 -7.336 -5.178 1.00 0.00 C ATOM 666 C LYS A 45 0.494 -7.245 -4.223 1.00 0.00 C ATOM 667 O LYS A 45 0.344 -8.079 -3.331 1.00 0.00 O ATOM 668 CB LYS A 45 1.365 -8.049 -6.494 1.00 0.00 C ATOM 669 CG LYS A 45 0.443 -9.247 -6.259 1.00 0.00 C ATOM 670 CD LYS A 45 0.873 -10.445 -7.107 1.00 0.00 C ATOM 671 CE LYS A 45 -0.320 -11.348 -7.426 1.00 0.00 C ATOM 672 NZ LYS A 45 0.136 -12.607 -8.055 1.00 0.00 N ATOM 0 H LYS A 45 3.232 -8.742 -5.033 1.00 0.00 H new ATOM 0 HA LYS A 45 1.953 -6.315 -5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.891 -7.351 -7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.290 -8.384 -6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.458 -9.520 -5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.583 -8.974 -6.503 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.326 -10.095 -8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.634 -11.016 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.870 -11.570 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.008 -10.829 -8.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.686 -13.208 -8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.641 -12.391 -8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.774 -13.109 -7.405 1.00 0.00 H new ATOM 686 N VAL A 46 -0.323 -6.226 -4.442 1.00 0.00 N ATOM 687 CA VAL A 46 -1.497 -6.015 -3.612 1.00 0.00 C ATOM 688 C VAL A 46 -2.753 -6.092 -4.482 1.00 0.00 C ATOM 689 O VAL A 46 -2.910 -5.313 -5.421 1.00 0.00 O ATOM 690 CB VAL A 46 -1.373 -4.690 -2.857 1.00 0.00 C ATOM 691 CG1 VAL A 46 -2.649 -4.385 -2.071 1.00 0.00 C ATOM 692 CG2 VAL A 46 -0.150 -4.695 -1.937 1.00 0.00 C ATOM 0 H VAL A 46 -0.195 -5.537 -5.183 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.576 -6.798 -2.857 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.235 -3.897 -3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.534 -3.438 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.492 -4.318 -2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.831 -5.182 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.085 -3.742 -1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.244 -5.503 -1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.752 -4.844 -2.531 1.00 0.00 H new ATOM 702 N PRO A 47 -3.638 -7.062 -4.130 1.00 0.00 N ATOM 703 CA PRO A 47 -4.875 -7.251 -4.868 1.00 0.00 C ATOM 704 C PRO A 47 -5.888 -6.156 -4.529 1.00 0.00 C ATOM 705 O PRO A 47 -6.941 -6.435 -3.958 1.00 0.00 O ATOM 706 CB PRO A 47 -5.353 -8.642 -4.485 1.00 0.00 C ATOM 707 CG PRO A 47 -4.621 -8.996 -3.201 1.00 0.00 C ATOM 708 CD PRO A 47 -3.484 -8.003 -3.023 1.00 0.00 C ATOM 0 HA PRO A 47 -4.737 -7.175 -5.947 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.433 -8.656 -4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.130 -9.362 -5.273 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.301 -8.954 -2.350 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.234 -10.014 -3.250 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.548 -7.496 -2.060 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.515 -8.500 -3.058 1.00 0.00 H new ATOM 716 N TYR A 48 -5.534 -4.933 -4.895 1.00 0.00 N ATOM 717 CA TYR A 48 -6.400 -3.794 -4.637 1.00 0.00 C ATOM 718 C TYR A 48 -7.834 -4.084 -5.082 1.00 0.00 C ATOM 719 O TYR A 48 -8.772 -3.938 -4.299 1.00 0.00 O ATOM 720 CB TYR A 48 -5.842 -2.642 -5.474 1.00 0.00 C ATOM 721 CG TYR A 48 -4.349 -2.382 -5.260 1.00 0.00 C ATOM 722 CD1 TYR A 48 -3.888 -1.992 -4.019 1.00 0.00 C ATOM 723 CD2 TYR A 48 -3.464 -2.539 -6.307 1.00 0.00 C ATOM 724 CE1 TYR A 48 -2.483 -1.747 -3.817 1.00 0.00 C ATOM 725 CE2 TYR A 48 -2.059 -2.295 -6.105 1.00 0.00 C ATOM 726 CZ TYR A 48 -1.638 -1.911 -4.870 1.00 0.00 C ATOM 727 OH TYR A 48 -0.312 -1.680 -4.679 1.00 0.00 O ATOM 0 H TYR A 48 -4.660 -4.705 -5.368 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.424 -3.564 -3.572 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.015 -2.856 -6.529 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.396 -1.733 -5.238 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.581 -1.871 -3.199 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.825 -2.845 -7.278 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.109 -1.440 -2.851 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.356 -2.414 -6.916 1.00 0.00 H new ATOM 0 HH TYR A 48 0.171 -1.837 -5.517 1.00 0.00 H new ATOM 737 N ARG A 49 -7.960 -4.490 -6.337 1.00 0.00 N ATOM 738 CA ARG A 49 -9.265 -4.802 -6.895 1.00 0.00 C ATOM 739 C ARG A 49 -9.971 -5.856 -6.039 1.00 0.00 C ATOM 740 O ARG A 49 -10.999 -5.575 -5.425 1.00 0.00 O ATOM 741 CB ARG A 49 -9.141 -5.320 -8.329 1.00 0.00 C ATOM 742 CG ARG A 49 -10.519 -5.596 -8.934 1.00 0.00 C ATOM 743 CD ARG A 49 -10.757 -4.732 -10.174 1.00 0.00 C ATOM 744 NE ARG A 49 -11.174 -5.583 -11.311 1.00 0.00 N ATOM 745 CZ ARG A 49 -10.320 -6.222 -12.122 1.00 0.00 C ATOM 746 NH1 ARG A 49 -8.999 -6.112 -11.926 1.00 0.00 N ATOM 747 NH2 ARG A 49 -10.788 -6.973 -13.129 1.00 0.00 N ATOM 0 H ARG A 49 -7.180 -4.610 -6.983 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.851 -3.883 -6.902 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.612 -4.588 -8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.546 -6.233 -8.339 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.599 -6.650 -9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.292 -5.395 -8.193 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.525 -3.987 -9.966 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.847 -4.190 -10.430 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.173 -5.690 -11.488 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.643 -5.542 -11.159 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.349 -6.599 -12.544 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.794 -7.058 -13.277 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.139 -7.460 -13.747 1.00 0.00 H new ATOM 761 N LYS A 50 -9.390 -7.047 -6.026 1.00 0.00 N ATOM 762 CA LYS A 50 -9.951 -8.144 -5.256 1.00 0.00 C ATOM 763 C LYS A 50 -10.362 -7.633 -3.873 1.00 0.00 C ATOM 764 O LYS A 50 -11.480 -7.880 -3.424 1.00 0.00 O ATOM 765 CB LYS A 50 -8.974 -9.321 -5.211 1.00 0.00 C ATOM 766 CG LYS A 50 -9.448 -10.462 -6.114 1.00 0.00 C ATOM 767 CD LYS A 50 -8.578 -11.707 -5.926 1.00 0.00 C ATOM 768 CE LYS A 50 -9.442 -12.949 -5.698 1.00 0.00 C ATOM 769 NZ LYS A 50 -9.696 -13.645 -6.980 1.00 0.00 N ATOM 0 H LYS A 50 -8.537 -7.276 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.852 -8.525 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.985 -8.989 -5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.878 -9.679 -4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.487 -10.702 -5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.414 -10.144 -7.156 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.950 -11.853 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.910 -11.563 -5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.943 -13.624 -5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.388 -12.662 -5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.284 -14.486 -6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.192 -13.003 -7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.791 -13.936 -7.402 1.00 0.00 H new ATOM 783 N ILE A 51 -9.436 -6.930 -3.238 1.00 0.00 N ATOM 784 CA ILE A 51 -9.688 -6.383 -1.916 1.00 0.00 C ATOM 785 C ILE A 51 -10.854 -5.394 -1.992 1.00 0.00 C ATOM 786 O ILE A 51 -11.661 -5.308 -1.068 1.00 0.00 O ATOM 787 CB ILE A 51 -8.409 -5.781 -1.332 1.00 0.00 C ATOM 788 CG1 ILE A 51 -7.599 -6.838 -0.580 1.00 0.00 C ATOM 789 CG2 ILE A 51 -8.724 -4.569 -0.453 1.00 0.00 C ATOM 790 CD1 ILE A 51 -6.127 -6.801 -0.997 1.00 0.00 C ATOM 0 H ILE A 51 -8.510 -6.727 -3.614 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.984 -7.174 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.791 -5.428 -2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.681 -6.668 0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.012 -7.827 -0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.797 -4.161 -0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.227 -3.808 -1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.373 -4.874 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.574 -7.563 -0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.047 -6.995 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.710 -5.819 -0.775 1.00 0.00 H new ATOM 802 N THR A 52 -10.905 -4.673 -3.103 1.00 0.00 N ATOM 803 CA THR A 52 -11.958 -3.694 -3.312 1.00 0.00 C ATOM 804 C THR A 52 -13.317 -4.388 -3.422 1.00 0.00 C ATOM 805 O THR A 52 -14.185 -4.200 -2.571 1.00 0.00 O ATOM 806 CB THR A 52 -11.596 -2.867 -4.546 1.00 0.00 C ATOM 807 OG1 THR A 52 -11.398 -1.551 -4.037 1.00 0.00 O ATOM 808 CG2 THR A 52 -12.770 -2.717 -5.516 1.00 0.00 C ATOM 0 H THR A 52 -10.234 -4.748 -3.868 1.00 0.00 H new ATOM 0 HA THR A 52 -12.043 -3.016 -2.463 1.00 0.00 H new ATOM 0 HB THR A 52 -10.756 -3.334 -5.061 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.158 -0.949 -4.772 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.459 -2.121 -6.374 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.090 -3.702 -5.855 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.598 -2.220 -5.011 1.00 0.00 H new ATOM 816 N ILE A 53 -13.459 -5.176 -4.478 1.00 0.00 N ATOM 817 CA ILE A 53 -14.698 -5.899 -4.711 1.00 0.00 C ATOM 818 C ILE A 53 -15.153 -6.555 -3.406 1.00 0.00 C ATOM 819 O ILE A 53 -16.333 -6.505 -3.060 1.00 0.00 O ATOM 820 CB ILE A 53 -14.533 -6.884 -5.870 1.00 0.00 C ATOM 821 CG1 ILE A 53 -13.347 -7.821 -5.629 1.00 0.00 C ATOM 822 CG2 ILE A 53 -14.419 -6.146 -7.205 1.00 0.00 C ATOM 823 CD1 ILE A 53 -13.037 -8.645 -6.880 1.00 0.00 C ATOM 0 H ILE A 53 -12.737 -5.330 -5.182 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.488 -5.213 -5.016 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.428 -7.504 -5.921 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.470 -7.238 -5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.569 -8.488 -4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.303 -6.869 -8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.320 -5.557 -7.373 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.553 -5.485 -7.183 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.190 -9.302 -6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -13.908 -9.245 -7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.792 -7.976 -7.705 1.00 0.00 H new ATOM 835 N ASN A 54 -14.194 -7.156 -2.717 1.00 0.00 N ATOM 836 CA ASN A 54 -14.482 -7.821 -1.457 1.00 0.00 C ATOM 837 C ASN A 54 -13.170 -8.112 -0.728 1.00 0.00 C ATOM 838 O ASN A 54 -12.313 -8.828 -1.245 1.00 0.00 O ATOM 839 CB ASN A 54 -15.200 -9.152 -1.689 1.00 0.00 C ATOM 840 CG ASN A 54 -14.245 -10.196 -2.273 1.00 0.00 C ATOM 841 OD1 ASN A 54 -13.511 -10.867 -1.567 1.00 0.00 O ATOM 842 ND2 ASN A 54 -14.296 -10.293 -3.599 1.00 0.00 N ATOM 0 H ASN A 54 -13.217 -7.196 -3.007 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.121 -7.164 -0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.611 -9.516 -0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.040 -9.003 -2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.697 -10.960 -4.085 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.934 -9.700 -4.130 1.00 0.00 H new ATOM 849 N PRO A 55 -13.049 -7.528 0.495 1.00 0.00 N ATOM 850 CA PRO A 55 -11.856 -7.718 1.301 1.00 0.00 C ATOM 851 C PRO A 55 -11.833 -9.114 1.927 1.00 0.00 C ATOM 852 O PRO A 55 -10.770 -9.625 2.275 1.00 0.00 O ATOM 853 CB PRO A 55 -11.897 -6.604 2.334 1.00 0.00 C ATOM 854 CG PRO A 55 -13.337 -6.117 2.364 1.00 0.00 C ATOM 855 CD PRO A 55 -14.043 -6.675 1.139 1.00 0.00 C ATOM 0 HA PRO A 55 -10.939 -7.665 0.714 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.587 -6.968 3.314 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.217 -5.796 2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.834 -6.450 3.275 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.372 -5.028 2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -14.931 -7.243 1.418 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.371 -5.877 0.473 1.00 0.00 H new ATOM 863 N GLY A 56 -13.019 -9.690 2.053 1.00 0.00 N ATOM 864 CA GLY A 56 -13.149 -11.017 2.631 1.00 0.00 C ATOM 865 C GLY A 56 -11.793 -11.721 2.698 1.00 0.00 C ATOM 866 O GLY A 56 -11.290 -12.007 3.783 1.00 0.00 O ATOM 0 H GLY A 56 -13.899 -9.262 1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.573 -10.941 3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.842 -11.611 2.035 1.00 0.00 H new ATOM 870 N CYS A 57 -11.239 -11.981 1.522 1.00 0.00 N ATOM 871 CA CYS A 57 -9.950 -12.647 1.433 1.00 0.00 C ATOM 872 C CYS A 57 -8.939 -11.849 2.260 1.00 0.00 C ATOM 873 O CYS A 57 -8.660 -12.194 3.407 1.00 0.00 O ATOM 874 CB CYS A 57 -9.497 -12.811 -0.019 1.00 0.00 C ATOM 875 SG CYS A 57 -10.475 -14.125 -0.835 1.00 0.00 S ATOM 0 H CYS A 57 -11.659 -11.743 0.624 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.031 -13.657 1.835 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.619 -11.870 -0.555 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.437 -13.062 -0.052 1.00 0.00 H new ATOM 0 HG CYS A 57 -10.084 -14.255 -2.068 1.00 0.00 H new ATOM 881 N VAL A 58 -8.418 -10.798 1.644 1.00 0.00 N ATOM 882 CA VAL A 58 -7.444 -9.949 2.309 1.00 0.00 C ATOM 883 C VAL A 58 -8.123 -8.650 2.749 1.00 0.00 C ATOM 884 O VAL A 58 -8.927 -8.085 2.011 1.00 0.00 O ATOM 885 CB VAL A 58 -6.242 -9.714 1.391 1.00 0.00 C ATOM 886 CG1 VAL A 58 -5.441 -8.490 1.840 1.00 0.00 C ATOM 887 CG2 VAL A 58 -5.353 -10.957 1.323 1.00 0.00 C ATOM 0 H VAL A 58 -8.652 -10.515 0.692 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.061 -10.436 3.206 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.620 -9.518 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.593 -8.345 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.080 -7.607 1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.079 -8.645 2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.506 -10.763 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.988 -11.198 2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.930 -11.796 0.935 1.00 0.00 H new ATOM 897 N VAL A 59 -7.773 -8.216 3.951 1.00 0.00 N ATOM 898 CA VAL A 59 -8.338 -6.994 4.499 1.00 0.00 C ATOM 899 C VAL A 59 -7.245 -5.929 4.593 1.00 0.00 C ATOM 900 O VAL A 59 -6.057 -6.246 4.541 1.00 0.00 O ATOM 901 CB VAL A 59 -9.007 -7.285 5.844 1.00 0.00 C ATOM 902 CG1 VAL A 59 -9.658 -6.024 6.416 1.00 0.00 C ATOM 903 CG2 VAL A 59 -10.026 -8.419 5.716 1.00 0.00 C ATOM 0 H VAL A 59 -7.106 -8.688 4.561 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.115 -6.604 3.842 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.233 -7.608 6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.126 -6.258 7.372 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.898 -5.257 6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.414 -5.658 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.487 -8.605 6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.795 -8.137 4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.523 -9.323 5.373 1.00 0.00 H new ATOM 913 N VAL A 60 -7.684 -4.686 4.730 1.00 0.00 N ATOM 914 CA VAL A 60 -6.757 -3.572 4.832 1.00 0.00 C ATOM 915 C VAL A 60 -7.199 -2.648 5.969 1.00 0.00 C ATOM 916 O VAL A 60 -8.345 -2.202 6.000 1.00 0.00 O ATOM 917 CB VAL A 60 -6.652 -2.854 3.485 1.00 0.00 C ATOM 918 CG1 VAL A 60 -5.863 -1.550 3.619 1.00 0.00 C ATOM 919 CG2 VAL A 60 -6.029 -3.765 2.425 1.00 0.00 C ATOM 0 H VAL A 60 -8.669 -4.426 4.773 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.756 -3.929 5.074 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.662 -2.603 3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.803 -1.059 2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.366 -0.892 4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.857 -1.769 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.966 -3.230 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.029 -4.061 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.648 -4.654 2.300 1.00 0.00 H new ATOM 929 N ASP A 61 -6.268 -2.389 6.875 1.00 0.00 N ATOM 930 CA ASP A 61 -6.548 -1.527 8.010 1.00 0.00 C ATOM 931 C ASP A 61 -5.482 -0.432 8.088 1.00 0.00 C ATOM 932 O ASP A 61 -4.532 -0.428 7.307 1.00 0.00 O ATOM 933 CB ASP A 61 -6.513 -2.315 9.322 1.00 0.00 C ATOM 934 CG ASP A 61 -7.849 -2.930 9.742 1.00 0.00 C ATOM 935 OD1 ASP A 61 -8.747 -2.984 8.873 1.00 0.00 O ATOM 936 OD2 ASP A 61 -7.943 -3.332 10.921 1.00 0.00 O ATOM 0 H ASP A 61 -5.319 -2.761 6.846 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.541 -1.100 7.872 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.776 -3.113 9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.169 -1.653 10.117 1.00 0.00 H new ATOM 941 N GLY A 62 -5.675 0.470 9.039 1.00 0.00 N ATOM 942 CA GLY A 62 -4.742 1.568 9.229 1.00 0.00 C ATOM 943 C GLY A 62 -5.125 2.770 8.363 1.00 0.00 C ATOM 944 O GLY A 62 -4.938 3.916 8.768 1.00 0.00 O ATOM 0 H GLY A 62 -6.463 0.463 9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.729 1.861 10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.733 1.240 8.977 1.00 0.00 H new ATOM 948 N MET A 63 -5.653 2.466 7.187 1.00 0.00 N ATOM 949 CA MET A 63 -6.064 3.506 6.260 1.00 0.00 C ATOM 950 C MET A 63 -6.697 4.685 7.003 1.00 0.00 C ATOM 951 O MET A 63 -7.281 4.508 8.071 1.00 0.00 O ATOM 952 CB MET A 63 -7.071 2.932 5.261 1.00 0.00 C ATOM 953 CG MET A 63 -6.429 1.843 4.400 1.00 0.00 C ATOM 954 SD MET A 63 -5.008 2.500 3.544 1.00 0.00 S ATOM 955 CE MET A 63 -5.818 3.315 2.178 1.00 0.00 C ATOM 0 H MET A 63 -5.806 1.514 6.855 1.00 0.00 H new ATOM 0 HA MET A 63 -5.180 3.865 5.733 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.926 2.520 5.797 1.00 0.00 H new ATOM 0 HB3 MET A 63 -7.450 3.730 4.622 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.130 1.002 5.026 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.154 1.463 3.680 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.241 3.157 1.267 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.819 2.903 2.050 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.889 4.383 2.382 1.00 0.00 H new ATOM 965 N PRO A 64 -6.555 5.892 6.393 1.00 0.00 N ATOM 966 CA PRO A 64 -7.106 7.099 6.986 1.00 0.00 C ATOM 967 C PRO A 64 -8.625 7.151 6.812 1.00 0.00 C ATOM 968 O PRO A 64 -9.191 6.387 6.032 1.00 0.00 O ATOM 969 CB PRO A 64 -6.389 8.243 6.287 1.00 0.00 C ATOM 970 CG PRO A 64 -5.807 7.653 5.013 1.00 0.00 C ATOM 971 CD PRO A 64 -5.869 6.139 5.128 1.00 0.00 C ATOM 0 HA PRO A 64 -6.950 7.147 8.064 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.079 9.056 6.061 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.604 8.657 6.920 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.370 7.993 4.144 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.777 7.983 4.875 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.412 5.700 4.291 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.871 5.700 5.126 1.00 0.00 H new ATOM 979 N PRO A 65 -9.259 8.084 7.573 1.00 0.00 N ATOM 980 CA PRO A 65 -10.701 8.246 7.510 1.00 0.00 C ATOM 981 C PRO A 65 -11.118 8.961 6.224 1.00 0.00 C ATOM 982 O PRO A 65 -10.410 9.845 5.744 1.00 0.00 O ATOM 983 CB PRO A 65 -11.065 9.022 8.766 1.00 0.00 C ATOM 984 CG PRO A 65 -9.774 9.667 9.245 1.00 0.00 C ATOM 985 CD PRO A 65 -8.621 9.006 8.508 1.00 0.00 C ATOM 0 HA PRO A 65 -11.230 7.293 7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.823 9.776 8.554 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.478 8.361 9.528 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.788 10.739 9.049 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.661 9.541 10.322 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.012 9.742 7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.961 8.478 9.197 1.00 0.00 H new ATOM 993 N GLY A 66 -12.265 8.552 5.702 1.00 0.00 N ATOM 994 CA GLY A 66 -12.784 9.142 4.480 1.00 0.00 C ATOM 995 C GLY A 66 -11.818 8.928 3.313 1.00 0.00 C ATOM 996 O GLY A 66 -11.813 9.700 2.356 1.00 0.00 O ATOM 0 H GLY A 66 -12.850 7.819 6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.751 8.700 4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.949 10.209 4.629 1.00 0.00 H new ATOM 1000 N VAL A 67 -11.023 7.874 3.431 1.00 0.00 N ATOM 1001 CA VAL A 67 -10.055 7.548 2.398 1.00 0.00 C ATOM 1002 C VAL A 67 -10.161 6.060 2.058 1.00 0.00 C ATOM 1003 O VAL A 67 -9.699 5.211 2.819 1.00 0.00 O ATOM 1004 CB VAL A 67 -8.651 7.960 2.848 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -7.605 7.571 1.802 1.00 0.00 C ATOM 1006 CG2 VAL A 67 -8.591 9.458 3.154 1.00 0.00 C ATOM 0 H VAL A 67 -11.030 7.235 4.226 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.267 8.106 1.486 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.422 7.421 3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.616 7.875 2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.622 6.491 1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.830 8.070 0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.583 9.724 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.851 10.023 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.297 9.695 3.950 1.00 0.00 H new ATOM 1016 N SER A 68 -10.771 5.790 0.913 1.00 0.00 N ATOM 1017 CA SER A 68 -10.943 4.419 0.463 1.00 0.00 C ATOM 1018 C SER A 68 -9.610 3.862 -0.041 1.00 0.00 C ATOM 1019 O SER A 68 -8.804 4.595 -0.613 1.00 0.00 O ATOM 1020 CB SER A 68 -12.005 4.330 -0.636 1.00 0.00 C ATOM 1021 OG SER A 68 -12.174 5.570 -1.317 1.00 0.00 O ATOM 0 H SER A 68 -11.152 6.497 0.284 1.00 0.00 H new ATOM 0 HA SER A 68 -11.282 3.821 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.722 3.559 -1.352 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.955 4.025 -0.198 1.00 0.00 H new ATOM 0 HG SER A 68 -12.768 6.151 -0.797 1.00 0.00 H new ATOM 1027 N PHE A 69 -9.419 2.572 0.189 1.00 0.00 N ATOM 1028 CA PHE A 69 -8.198 1.909 -0.234 1.00 0.00 C ATOM 1029 C PHE A 69 -8.328 1.381 -1.664 1.00 0.00 C ATOM 1030 O PHE A 69 -9.335 0.768 -2.014 1.00 0.00 O ATOM 1031 CB PHE A 69 -7.978 0.728 0.715 1.00 0.00 C ATOM 1032 CG PHE A 69 -6.935 -0.278 0.224 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -5.619 0.064 0.197 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -7.325 -1.516 -0.185 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -4.652 -0.870 -0.259 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -6.357 -2.450 -0.641 1.00 0.00 C ATOM 1037 CZ PHE A 69 -5.041 -2.107 -0.668 1.00 0.00 C ATOM 0 H PHE A 69 -10.090 1.968 0.663 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.365 2.612 -0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.670 1.110 1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.926 0.211 0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.310 1.046 0.522 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.370 -1.788 -0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.607 -0.598 -0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.666 -3.432 -0.966 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.305 -2.817 -1.014 1.00 0.00 H new ATOM 1047 N LYS A 70 -7.294 1.638 -2.452 1.00 0.00 N ATOM 1048 CA LYS A 70 -7.280 1.197 -3.836 1.00 0.00 C ATOM 1049 C LYS A 70 -5.939 1.570 -4.472 1.00 0.00 C ATOM 1050 O LYS A 70 -5.111 2.228 -3.844 1.00 0.00 O ATOM 1051 CB LYS A 70 -8.492 1.751 -4.588 1.00 0.00 C ATOM 1052 CG LYS A 70 -8.497 3.281 -4.568 1.00 0.00 C ATOM 1053 CD LYS A 70 -9.871 3.830 -4.955 1.00 0.00 C ATOM 1054 CE LYS A 70 -10.923 3.466 -3.905 1.00 0.00 C ATOM 1055 NZ LYS A 70 -11.919 2.530 -4.472 1.00 0.00 N ATOM 0 H LYS A 70 -6.460 2.146 -2.158 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.369 0.112 -3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.478 1.397 -5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.409 1.375 -4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.227 3.636 -3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.743 3.660 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.817 4.914 -5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.166 3.430 -5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.440 3.012 -3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.422 4.369 -3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.616 2.280 -3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.404 2.983 -5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.438 1.668 -4.801 1.00 0.00 H new ATOM 1069 N ALA A 71 -5.766 1.133 -5.711 1.00 0.00 N ATOM 1070 CA ALA A 71 -4.540 1.413 -6.439 1.00 0.00 C ATOM 1071 C ALA A 71 -4.259 2.916 -6.397 1.00 0.00 C ATOM 1072 O ALA A 71 -5.184 3.722 -6.316 1.00 0.00 O ATOM 1073 CB ALA A 71 -4.663 0.882 -7.869 1.00 0.00 C ATOM 0 H ALA A 71 -6.454 0.587 -6.229 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.694 0.907 -5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.743 1.092 -8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.833 -0.194 -7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.501 1.370 -8.367 1.00 0.00 H new ATOM 1079 N PRO A 72 -2.943 3.256 -6.456 1.00 0.00 N ATOM 1080 CA PRO A 72 -2.528 4.648 -6.425 1.00 0.00 C ATOM 1081 C PRO A 72 -2.800 5.331 -7.767 1.00 0.00 C ATOM 1082 O PRO A 72 -2.673 6.549 -7.885 1.00 0.00 O ATOM 1083 CB PRO A 72 -1.052 4.611 -6.067 1.00 0.00 C ATOM 1084 CG PRO A 72 -0.586 3.195 -6.365 1.00 0.00 C ATOM 1085 CD PRO A 72 -1.820 2.328 -6.552 1.00 0.00 C ATOM 0 HA PRO A 72 -3.086 5.237 -5.697 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.490 5.338 -6.652 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.898 4.860 -5.017 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.032 3.178 -7.262 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.027 2.815 -5.548 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.806 1.822 -7.517 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.880 1.554 -5.787 1.00 0.00 H new ATOM 1093 N SER A 73 -3.170 4.517 -8.745 1.00 0.00 N ATOM 1094 CA SER A 73 -3.461 5.027 -10.074 1.00 0.00 C ATOM 1095 C SER A 73 -4.780 5.803 -10.059 1.00 0.00 C ATOM 1096 O SER A 73 -5.009 6.660 -10.911 1.00 0.00 O ATOM 1097 CB SER A 73 -3.525 3.892 -11.098 1.00 0.00 C ATOM 1098 OG SER A 73 -3.908 2.656 -10.502 1.00 0.00 O ATOM 0 H SER A 73 -3.275 3.508 -8.643 1.00 0.00 H new ATOM 0 HA SER A 73 -2.654 5.699 -10.367 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.236 4.152 -11.883 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.551 3.778 -11.574 1.00 0.00 H new ATOM 0 HG SER A 73 -3.939 1.957 -11.189 1.00 0.00 H new ATOM 1104 N TYR A 74 -5.612 5.474 -9.082 1.00 0.00 N ATOM 1105 CA TYR A 74 -6.902 6.129 -8.945 1.00 0.00 C ATOM 1106 C TYR A 74 -6.862 7.195 -7.848 1.00 0.00 C ATOM 1107 O TYR A 74 -7.458 8.262 -7.992 1.00 0.00 O ATOM 1108 CB TYR A 74 -7.891 5.034 -8.540 1.00 0.00 C ATOM 1109 CG TYR A 74 -7.922 3.840 -9.495 1.00 0.00 C ATOM 1110 CD1 TYR A 74 -7.746 4.035 -10.850 1.00 0.00 C ATOM 1111 CD2 TYR A 74 -8.126 2.567 -9.002 1.00 0.00 C ATOM 1112 CE1 TYR A 74 -7.776 2.910 -11.749 1.00 0.00 C ATOM 1113 CE2 TYR A 74 -8.156 1.442 -9.901 1.00 0.00 C ATOM 1114 CZ TYR A 74 -7.979 1.670 -11.230 1.00 0.00 C ATOM 1115 OH TYR A 74 -8.007 0.607 -12.079 1.00 0.00 O ATOM 0 H TYR A 74 -5.418 4.762 -8.377 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.183 6.622 -9.876 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.637 4.680 -7.541 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.890 5.465 -8.481 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.586 5.031 -11.236 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.263 2.414 -7.942 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.640 3.048 -12.811 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.315 0.441 -9.528 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.159 -0.216 -11.568 1.00 0.00 H new ATOM 1125 N LEU A 75 -6.153 6.870 -6.777 1.00 0.00 N ATOM 1126 CA LEU A 75 -6.027 7.786 -5.656 1.00 0.00 C ATOM 1127 C LEU A 75 -5.291 9.047 -6.114 1.00 0.00 C ATOM 1128 O LEU A 75 -4.402 8.978 -6.961 1.00 0.00 O ATOM 1129 CB LEU A 75 -5.369 7.088 -4.465 1.00 0.00 C ATOM 1130 CG LEU A 75 -6.034 5.793 -3.995 1.00 0.00 C ATOM 1131 CD1 LEU A 75 -5.173 5.083 -2.948 1.00 0.00 C ATOM 1132 CD2 LEU A 75 -7.452 6.059 -3.485 1.00 0.00 C ATOM 0 H LEU A 75 -5.660 5.985 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.011 8.100 -5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.334 6.868 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.346 7.786 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.119 5.123 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.669 4.166 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.202 4.840 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.034 5.737 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.902 5.122 -3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.413 6.756 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.052 6.489 -4.287 1.00 0.00 H new ATOM 1144 N GLU A 76 -5.690 10.170 -5.534 1.00 0.00 N ATOM 1145 CA GLU A 76 -5.079 11.444 -5.872 1.00 0.00 C ATOM 1146 C GLU A 76 -3.840 11.685 -5.007 1.00 0.00 C ATOM 1147 O GLU A 76 -3.553 10.908 -4.098 1.00 0.00 O ATOM 1148 CB GLU A 76 -6.083 12.589 -5.723 1.00 0.00 C ATOM 1149 CG GLU A 76 -6.926 12.747 -6.990 1.00 0.00 C ATOM 1150 CD GLU A 76 -7.919 13.903 -6.847 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -9.039 13.633 -6.364 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -7.534 15.031 -7.225 1.00 0.00 O ATOM 0 H GLU A 76 -6.429 10.224 -4.833 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.768 11.410 -6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.734 12.398 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.552 13.518 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.274 12.926 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.466 11.821 -7.190 1.00 0.00 H new ATOM 1159 N ILE A 77 -3.140 12.764 -5.321 1.00 0.00 N ATOM 1160 CA ILE A 77 -1.938 13.117 -4.584 1.00 0.00 C ATOM 1161 C ILE A 77 -2.259 13.170 -3.089 1.00 0.00 C ATOM 1162 O ILE A 77 -1.620 12.489 -2.289 1.00 0.00 O ATOM 1163 CB ILE A 77 -1.336 14.413 -5.130 1.00 0.00 C ATOM 1164 CG1 ILE A 77 -0.930 14.254 -6.596 1.00 0.00 C ATOM 1165 CG2 ILE A 77 -0.169 14.885 -4.260 1.00 0.00 C ATOM 1166 CD1 ILE A 77 0.092 15.319 -7.001 1.00 0.00 C ATOM 0 H ILE A 77 -3.382 13.406 -6.076 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.171 12.355 -4.719 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.101 15.188 -5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.508 13.261 -6.755 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.812 14.331 -7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.241 15.808 -4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.522 15.065 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.606 14.119 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.364 15.183 -8.048 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.341 16.310 -6.864 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.983 15.224 -6.380 1.00 0.00 H new ATOM 1178 N SER A 78 -3.249 13.986 -2.757 1.00 0.00 N ATOM 1179 CA SER A 78 -3.663 14.137 -1.373 1.00 0.00 C ATOM 1180 C SER A 78 -3.927 12.763 -0.753 1.00 0.00 C ATOM 1181 O SER A 78 -3.426 12.459 0.328 1.00 0.00 O ATOM 1182 CB SER A 78 -4.909 15.017 -1.263 1.00 0.00 C ATOM 1183 OG SER A 78 -5.180 15.393 0.085 1.00 0.00 O ATOM 0 H SER A 78 -3.777 14.550 -3.424 1.00 0.00 H new ATOM 0 HA SER A 78 -2.857 14.627 -0.827 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.775 15.913 -1.869 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.767 14.482 -1.670 1.00 0.00 H new ATOM 0 HG SER A 78 -5.982 15.956 0.113 1.00 0.00 H new ATOM 1189 N SER A 79 -4.714 11.970 -1.465 1.00 0.00 N ATOM 1190 CA SER A 79 -5.051 10.635 -0.999 1.00 0.00 C ATOM 1191 C SER A 79 -3.781 9.889 -0.587 1.00 0.00 C ATOM 1192 O SER A 79 -3.651 9.463 0.560 1.00 0.00 O ATOM 1193 CB SER A 79 -5.804 9.850 -2.074 1.00 0.00 C ATOM 1194 OG SER A 79 -7.034 10.475 -2.429 1.00 0.00 O ATOM 0 H SER A 79 -5.128 12.226 -2.361 1.00 0.00 H new ATOM 0 HA SER A 79 -5.706 10.730 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.176 9.756 -2.960 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.001 8.840 -1.714 1.00 0.00 H new ATOM 0 HG SER A 79 -7.484 9.944 -3.119 1.00 0.00 H new ATOM 1200 N MET A 80 -2.876 9.752 -1.545 1.00 0.00 N ATOM 1201 CA MET A 80 -1.621 9.064 -1.297 1.00 0.00 C ATOM 1202 C MET A 80 -0.903 9.655 -0.082 1.00 0.00 C ATOM 1203 O MET A 80 -0.506 8.925 0.825 1.00 0.00 O ATOM 1204 CB MET A 80 -0.722 9.181 -2.529 1.00 0.00 C ATOM 1205 CG MET A 80 -1.371 8.521 -3.747 1.00 0.00 C ATOM 1206 SD MET A 80 -0.216 8.477 -5.107 1.00 0.00 S ATOM 1207 CE MET A 80 -0.628 10.014 -5.914 1.00 0.00 C ATOM 0 H MET A 80 -2.987 10.106 -2.495 1.00 0.00 H new ATOM 0 HA MET A 80 -1.837 8.015 -1.093 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.526 10.232 -2.742 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.241 8.712 -2.327 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.688 7.509 -3.496 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.265 9.073 -4.036 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.559 9.888 -6.994 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.644 10.304 -5.647 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.067 10.791 -5.594 1.00 0.00 H new ATOM 1217 N ARG A 81 -0.757 10.972 -0.104 1.00 0.00 N ATOM 1218 CA ARG A 81 -0.093 11.669 0.984 1.00 0.00 C ATOM 1219 C ARG A 81 -0.571 11.126 2.332 1.00 0.00 C ATOM 1220 O ARG A 81 0.238 10.704 3.157 1.00 0.00 O ATOM 1221 CB ARG A 81 -0.367 13.174 0.922 1.00 0.00 C ATOM 1222 CG ARG A 81 0.794 13.915 0.256 1.00 0.00 C ATOM 1223 CD ARG A 81 2.131 13.514 0.880 1.00 0.00 C ATOM 1224 NE ARG A 81 2.974 14.713 1.086 1.00 0.00 N ATOM 1225 CZ ARG A 81 4.297 14.675 1.294 1.00 0.00 C ATOM 1226 NH1 ARG A 81 4.937 13.498 1.325 1.00 0.00 N ATOM 1227 NH2 ARG A 81 4.981 15.814 1.471 1.00 0.00 N ATOM 0 H ARG A 81 -1.087 11.574 -0.858 1.00 0.00 H new ATOM 0 HA ARG A 81 0.979 11.501 0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.287 13.357 0.366 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.520 13.561 1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.806 13.694 -0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.649 14.991 0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.961 13.011 1.832 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.646 12.804 0.232 1.00 0.00 H new ATOM 0 HE ARG A 81 2.519 15.626 1.069 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.417 12.631 1.190 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.944 13.469 1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.494 16.710 1.447 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.988 15.785 1.629 1.00 0.00 H new ATOM 1241 N ARG A 82 -1.883 11.154 2.514 1.00 0.00 N ATOM 1242 CA ARG A 82 -2.478 10.670 3.748 1.00 0.00 C ATOM 1243 C ARG A 82 -1.969 9.263 4.067 1.00 0.00 C ATOM 1244 O ARG A 82 -1.275 9.061 5.062 1.00 0.00 O ATOM 1245 CB ARG A 82 -4.005 10.642 3.650 1.00 0.00 C ATOM 1246 CG ARG A 82 -4.566 12.049 3.434 1.00 0.00 C ATOM 1247 CD ARG A 82 -6.094 12.048 3.513 1.00 0.00 C ATOM 1248 NE ARG A 82 -6.538 12.752 4.737 1.00 0.00 N ATOM 1249 CZ ARG A 82 -6.499 14.082 4.894 1.00 0.00 C ATOM 1250 NH1 ARG A 82 -6.036 14.861 3.906 1.00 0.00 N ATOM 1251 NH2 ARG A 82 -6.923 14.634 6.039 1.00 0.00 N ATOM 0 H ARG A 82 -2.551 11.504 1.827 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.189 11.354 4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.308 9.995 2.827 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.424 10.216 4.561 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.160 12.726 4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.249 12.426 2.462 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.512 12.534 2.632 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.465 11.023 3.518 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.896 12.190 5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.713 14.441 3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.007 15.873 4.026 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.275 14.042 6.791 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.893 15.647 6.159 1.00 0.00 H new ATOM 1265 N ILE A 83 -2.333 8.327 3.203 1.00 0.00 N ATOM 1266 CA ILE A 83 -1.922 6.944 3.380 1.00 0.00 C ATOM 1267 C ILE A 83 -0.476 6.907 3.878 1.00 0.00 C ATOM 1268 O ILE A 83 -0.186 6.300 4.908 1.00 0.00 O ATOM 1269 CB ILE A 83 -2.150 6.149 2.093 1.00 0.00 C ATOM 1270 CG1 ILE A 83 -3.634 6.116 1.724 1.00 0.00 C ATOM 1271 CG2 ILE A 83 -1.555 4.743 2.204 1.00 0.00 C ATOM 1272 CD1 ILE A 83 -3.828 6.267 0.214 1.00 0.00 C ATOM 0 H ILE A 83 -2.908 8.499 2.378 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.534 6.458 4.140 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.628 6.656 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.075 5.177 2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.159 6.917 2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.731 4.199 1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.482 4.815 2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.027 4.212 3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.892 6.240 -0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.408 7.218 -0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.322 5.450 -0.301 1.00 0.00 H new ATOM 1284 N LEU A 84 0.393 7.563 3.124 1.00 0.00 N ATOM 1285 CA LEU A 84 1.802 7.612 3.476 1.00 0.00 C ATOM 1286 C LEU A 84 1.945 8.081 4.925 1.00 0.00 C ATOM 1287 O LEU A 84 2.588 7.416 5.736 1.00 0.00 O ATOM 1288 CB LEU A 84 2.575 8.471 2.473 1.00 0.00 C ATOM 1289 CG LEU A 84 2.845 7.831 1.109 1.00 0.00 C ATOM 1290 CD1 LEU A 84 3.399 8.858 0.121 1.00 0.00 C ATOM 1291 CD2 LEU A 84 3.764 6.615 1.247 1.00 0.00 C ATOM 0 H LEU A 84 0.149 8.065 2.270 1.00 0.00 H new ATOM 0 HA LEU A 84 2.244 6.617 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.021 9.396 2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.531 8.744 2.920 1.00 0.00 H new ATOM 0 HG LEU A 84 1.897 7.475 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.582 8.377 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.677 9.664 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.334 9.266 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.940 6.179 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.714 6.925 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.293 5.875 1.893 1.00 0.00 H new ATOM 1303 N ASP A 85 1.335 9.223 5.207 1.00 0.00 N ATOM 1304 CA ASP A 85 1.386 9.789 6.544 1.00 0.00 C ATOM 1305 C ASP A 85 1.078 8.694 7.568 1.00 0.00 C ATOM 1306 O ASP A 85 1.502 8.780 8.720 1.00 0.00 O ATOM 1307 CB ASP A 85 0.348 10.899 6.713 1.00 0.00 C ATOM 1308 CG ASP A 85 0.924 12.280 7.035 1.00 0.00 C ATOM 1309 OD1 ASP A 85 2.169 12.382 7.066 1.00 0.00 O ATOM 1310 OD2 ASP A 85 0.106 13.202 7.243 1.00 0.00 O ATOM 0 H ASP A 85 0.803 9.772 4.532 1.00 0.00 H new ATOM 0 HA ASP A 85 2.383 10.202 6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.237 10.971 5.796 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.340 10.614 7.509 1.00 0.00 H new ATOM 1315 N SER A 86 0.343 7.691 7.112 1.00 0.00 N ATOM 1316 CA SER A 86 -0.027 6.581 7.973 1.00 0.00 C ATOM 1317 C SER A 86 0.489 5.267 7.384 1.00 0.00 C ATOM 1318 O SER A 86 -0.160 4.229 7.510 1.00 0.00 O ATOM 1319 CB SER A 86 -1.543 6.517 8.169 1.00 0.00 C ATOM 1320 OG SER A 86 -1.912 6.673 9.536 1.00 0.00 O ATOM 0 H SER A 86 -0.007 7.624 6.156 1.00 0.00 H new ATOM 0 HA SER A 86 0.431 6.738 8.949 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.019 7.297 7.574 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.916 5.562 7.800 1.00 0.00 H new ATOM 0 HG SER A 86 -1.113 6.608 10.100 1.00 0.00 H new ATOM 1326 N ALA A 87 1.651 5.353 6.753 1.00 0.00 N ATOM 1327 CA ALA A 87 2.261 4.184 6.144 1.00 0.00 C ATOM 1328 C ALA A 87 2.386 3.076 7.192 1.00 0.00 C ATOM 1329 O ALA A 87 1.990 1.937 6.947 1.00 0.00 O ATOM 1330 CB ALA A 87 3.611 4.569 5.538 1.00 0.00 C ATOM 0 H ALA A 87 2.186 6.215 6.651 1.00 0.00 H new ATOM 0 HA ALA A 87 1.638 3.804 5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.068 3.691 5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.463 5.338 4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.265 4.953 6.321 1.00 0.00 H new ATOM 1336 N GLU A 88 2.940 3.448 8.337 1.00 0.00 N ATOM 1337 CA GLU A 88 3.123 2.499 9.422 1.00 0.00 C ATOM 1338 C GLU A 88 1.767 2.021 9.944 1.00 0.00 C ATOM 1339 O GLU A 88 1.629 0.874 10.365 1.00 0.00 O ATOM 1340 CB GLU A 88 3.959 3.110 10.548 1.00 0.00 C ATOM 1341 CG GLU A 88 3.182 4.211 11.273 1.00 0.00 C ATOM 1342 CD GLU A 88 4.113 5.055 12.147 1.00 0.00 C ATOM 1343 OE1 GLU A 88 4.816 4.444 12.981 1.00 0.00 O ATOM 1344 OE2 GLU A 88 4.100 6.291 11.962 1.00 0.00 O ATOM 0 H GLU A 88 3.268 4.393 8.537 1.00 0.00 H new ATOM 0 HA GLU A 88 3.666 1.636 9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.243 2.333 11.258 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.882 3.521 10.139 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.684 4.850 10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.403 3.765 11.891 1.00 0.00 H new ATOM 1351 N PHE A 89 0.799 2.925 9.898 1.00 0.00 N ATOM 1352 CA PHE A 89 -0.542 2.610 10.361 1.00 0.00 C ATOM 1353 C PHE A 89 -1.184 1.531 9.487 1.00 0.00 C ATOM 1354 O PHE A 89 -1.875 0.648 9.992 1.00 0.00 O ATOM 1355 CB PHE A 89 -1.366 3.895 10.253 1.00 0.00 C ATOM 1356 CG PHE A 89 -1.543 4.634 11.581 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.465 4.202 12.482 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -0.778 5.723 11.861 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -2.630 4.888 13.714 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -0.942 6.409 13.093 1.00 0.00 C ATOM 1361 CZ PHE A 89 -1.865 5.977 13.994 1.00 0.00 C ATOM 0 H PHE A 89 0.917 3.876 9.547 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.504 2.236 11.384 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.886 4.563 9.538 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.349 3.651 9.851 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.072 3.337 12.260 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.045 6.066 11.146 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.363 4.545 14.429 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.334 7.274 13.315 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.990 6.499 14.931 1.00 0.00 H new ATOM 1371 N ILE A 90 -0.934 1.639 8.190 1.00 0.00 N ATOM 1372 CA ILE A 90 -1.479 0.684 7.241 1.00 0.00 C ATOM 1373 C ILE A 90 -1.372 -0.727 7.824 1.00 0.00 C ATOM 1374 O ILE A 90 -0.466 -1.011 8.606 1.00 0.00 O ATOM 1375 CB ILE A 90 -0.804 0.839 5.877 1.00 0.00 C ATOM 1376 CG1 ILE A 90 -0.876 2.287 5.390 1.00 0.00 C ATOM 1377 CG2 ILE A 90 -1.394 -0.139 4.858 1.00 0.00 C ATOM 1378 CD1 ILE A 90 -2.210 2.929 5.775 1.00 0.00 C ATOM 0 H ILE A 90 -0.361 2.374 7.775 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.538 0.879 7.071 1.00 0.00 H new ATOM 0 HB ILE A 90 0.251 0.590 5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.055 2.860 5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.753 2.317 4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.896 -0.008 3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.246 -1.161 5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.461 0.054 4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.235 3.958 5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.028 2.367 5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.319 2.919 6.860 1.00 0.00 H new ATOM 1390 N LYS A 91 -2.309 -1.572 7.421 1.00 0.00 N ATOM 1391 CA LYS A 91 -2.331 -2.946 7.894 1.00 0.00 C ATOM 1392 C LYS A 91 -3.065 -3.820 6.875 1.00 0.00 C ATOM 1393 O LYS A 91 -4.010 -3.367 6.231 1.00 0.00 O ATOM 1394 CB LYS A 91 -2.920 -3.018 9.304 1.00 0.00 C ATOM 1395 CG LYS A 91 -3.150 -4.469 9.729 1.00 0.00 C ATOM 1396 CD LYS A 91 -3.018 -4.624 11.245 1.00 0.00 C ATOM 1397 CE LYS A 91 -4.369 -4.953 11.883 1.00 0.00 C ATOM 1398 NZ LYS A 91 -4.710 -3.954 12.920 1.00 0.00 N ATOM 0 H LYS A 91 -3.059 -1.332 6.772 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.317 -3.337 7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.246 -2.532 10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.863 -2.472 9.336 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.142 -4.792 9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.429 -5.117 9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.303 -5.414 11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.623 -3.703 11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.145 -4.970 11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.336 -5.948 12.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.630 -4.192 13.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.978 -3.957 13.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.762 -3.009 12.488 1.00 0.00 H new ATOM 1412 N PHE A 92 -2.602 -5.056 6.761 1.00 0.00 N ATOM 1413 CA PHE A 92 -3.203 -5.997 5.832 1.00 0.00 C ATOM 1414 C PHE A 92 -3.364 -7.376 6.475 1.00 0.00 C ATOM 1415 O PHE A 92 -2.378 -8.008 6.852 1.00 0.00 O ATOM 1416 CB PHE A 92 -2.256 -6.112 4.636 1.00 0.00 C ATOM 1417 CG PHE A 92 -2.473 -5.042 3.564 1.00 0.00 C ATOM 1418 CD1 PHE A 92 -2.162 -3.744 3.826 1.00 0.00 C ATOM 1419 CD2 PHE A 92 -2.978 -5.389 2.350 1.00 0.00 C ATOM 1420 CE1 PHE A 92 -2.364 -2.751 2.831 1.00 0.00 C ATOM 1421 CE2 PHE A 92 -3.180 -4.396 1.355 1.00 0.00 C ATOM 1422 CZ PHE A 92 -2.869 -3.098 1.617 1.00 0.00 C ATOM 0 H PHE A 92 -1.818 -5.427 7.297 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.192 -5.647 5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.228 -6.051 4.993 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.378 -7.096 4.183 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.762 -3.469 4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.225 -6.420 2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.117 -1.720 3.038 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.580 -4.671 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.023 -2.343 0.861 1.00 0.00 H new ATOM 1432 N THR A 93 -4.614 -7.803 6.580 1.00 0.00 N ATOM 1433 CA THR A 93 -4.916 -9.095 7.171 1.00 0.00 C ATOM 1434 C THR A 93 -5.332 -10.093 6.088 1.00 0.00 C ATOM 1435 O THR A 93 -6.229 -9.814 5.294 1.00 0.00 O ATOM 1436 CB THR A 93 -5.984 -8.886 8.246 1.00 0.00 C ATOM 1437 OG1 THR A 93 -5.387 -7.962 9.153 1.00 0.00 O ATOM 1438 CG2 THR A 93 -6.217 -10.139 9.092 1.00 0.00 C ATOM 0 H THR A 93 -5.429 -7.277 6.266 1.00 0.00 H new ATOM 0 HA THR A 93 -4.036 -9.527 7.647 1.00 0.00 H new ATOM 0 HB THR A 93 -6.920 -8.587 7.774 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.013 -7.769 9.882 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.984 -9.936 9.839 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.544 -10.956 8.449 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.289 -10.419 9.591 1.00 0.00 H new ATOM 1446 N VAL A 94 -4.660 -11.235 6.091 1.00 0.00 N ATOM 1447 CA VAL A 94 -4.949 -12.275 5.119 1.00 0.00 C ATOM 1448 C VAL A 94 -5.869 -13.319 5.753 1.00 0.00 C ATOM 1449 O VAL A 94 -5.400 -14.317 6.298 1.00 0.00 O ATOM 1450 CB VAL A 94 -3.644 -12.873 4.588 1.00 0.00 C ATOM 1451 CG1 VAL A 94 -3.914 -14.122 3.748 1.00 0.00 C ATOM 1452 CG2 VAL A 94 -2.851 -11.836 3.790 1.00 0.00 C ATOM 0 H VAL A 94 -3.916 -11.463 6.751 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.474 -11.858 4.259 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.039 -13.171 5.445 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.970 -14.526 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.417 -14.871 4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.548 -13.861 2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.928 -12.286 3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.448 -11.493 2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.611 -10.988 4.432 1.00 0.00 H new ATOM 1462 N ILE A 95 -7.164 -13.054 5.661 1.00 0.00 N ATOM 1463 CA ILE A 95 -8.155 -13.958 6.220 1.00 0.00 C ATOM 1464 C ILE A 95 -8.188 -15.245 5.394 1.00 0.00 C ATOM 1465 O ILE A 95 -8.123 -16.343 5.945 1.00 0.00 O ATOM 1466 CB ILE A 95 -9.514 -13.263 6.329 1.00 0.00 C ATOM 1467 CG1 ILE A 95 -9.507 -12.219 7.448 1.00 0.00 C ATOM 1468 CG2 ILE A 95 -10.639 -14.284 6.505 1.00 0.00 C ATOM 1469 CD1 ILE A 95 -8.491 -11.112 7.158 1.00 0.00 C ATOM 0 H ILE A 95 -7.550 -12.226 5.208 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.883 -14.238 7.238 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.703 -12.733 5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.502 -11.786 7.553 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.267 -12.699 8.397 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.594 -13.764 6.580 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -10.658 -14.956 5.647 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.468 -14.861 7.414 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.506 -10.383 7.968 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.494 -11.545 7.078 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.748 -10.618 6.221 1.00 0.00 H new ATOM 1481 N ARG A 96 -8.288 -15.068 4.084 1.00 0.00 N ATOM 1482 CA ARG A 96 -8.330 -16.202 3.177 1.00 0.00 C ATOM 1483 C ARG A 96 -7.481 -15.920 1.935 1.00 0.00 C ATOM 1484 O ARG A 96 -7.577 -14.845 1.344 1.00 0.00 O ATOM 1485 CB ARG A 96 -9.765 -16.509 2.745 1.00 0.00 C ATOM 1486 CG ARG A 96 -10.626 -16.904 3.946 1.00 0.00 C ATOM 1487 CD ARG A 96 -10.534 -18.408 4.216 1.00 0.00 C ATOM 1488 NE ARG A 96 -10.345 -18.651 5.664 1.00 0.00 N ATOM 1489 CZ ARG A 96 -9.843 -19.783 6.176 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -9.476 -20.782 5.361 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -9.707 -19.916 7.502 1.00 0.00 N ATOM 0 H ARG A 96 -8.341 -14.156 3.630 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.929 -17.066 3.708 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.196 -15.636 2.255 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.763 -17.316 2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.301 -16.352 4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.664 -16.627 3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.441 -18.904 3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.703 -18.837 3.655 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.614 -17.911 6.312 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.579 -20.680 4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.094 -21.644 5.751 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.986 -19.156 8.122 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -9.325 -20.778 7.892 1.00 0.00 H new ATOM 1505 N PRO A 97 -6.647 -16.929 1.568 1.00 0.00 N ATOM 1506 CA PRO A 97 -5.782 -16.801 0.408 1.00 0.00 C ATOM 1507 C PRO A 97 -6.580 -16.940 -0.890 1.00 0.00 C ATOM 1508 O PRO A 97 -7.677 -17.498 -0.892 1.00 0.00 O ATOM 1509 CB PRO A 97 -4.731 -17.885 0.578 1.00 0.00 C ATOM 1510 CG PRO A 97 -5.311 -18.875 1.576 1.00 0.00 C ATOM 1511 CD PRO A 97 -6.507 -18.216 2.244 1.00 0.00 C ATOM 0 HA PRO A 97 -5.314 -15.819 0.340 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.514 -18.371 -0.373 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.793 -17.466 0.943 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.613 -19.793 1.072 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.563 -19.151 2.319 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -7.406 -18.822 2.132 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.341 -18.086 3.313 1.00 0.00 H new ATOM 1519 N PHE A 98 -5.999 -16.425 -1.963 1.00 0.00 N ATOM 1520 CA PHE A 98 -6.642 -16.485 -3.265 1.00 0.00 C ATOM 1521 C PHE A 98 -6.303 -17.792 -3.984 1.00 0.00 C ATOM 1522 O PHE A 98 -5.398 -18.516 -3.571 1.00 0.00 O ATOM 1523 CB PHE A 98 -6.104 -15.311 -4.085 1.00 0.00 C ATOM 1524 CG PHE A 98 -5.742 -14.082 -3.248 1.00 0.00 C ATOM 1525 CD1 PHE A 98 -6.682 -13.496 -2.459 1.00 0.00 C ATOM 1526 CD2 PHE A 98 -4.480 -13.576 -3.294 1.00 0.00 C ATOM 1527 CE1 PHE A 98 -6.345 -12.356 -1.682 1.00 0.00 C ATOM 1528 CE2 PHE A 98 -4.144 -12.436 -2.518 1.00 0.00 C ATOM 1529 CZ PHE A 98 -5.084 -11.850 -1.728 1.00 0.00 C ATOM 0 H PHE A 98 -5.089 -15.964 -1.958 1.00 0.00 H new ATOM 0 HA PHE A 98 -7.725 -16.436 -3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -5.220 -15.638 -4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -6.851 -15.026 -4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -7.684 -13.897 -2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -3.734 -14.042 -3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -7.091 -11.891 -1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.142 -12.034 -2.555 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.828 -10.983 -1.137 1.00 0.00 H new ATOM 1539 N PRO A 99 -7.067 -18.062 -5.076 1.00 0.00 N ATOM 1540 CA PRO A 99 -6.856 -19.270 -5.857 1.00 0.00 C ATOM 1541 C PRO A 99 -5.600 -19.151 -6.722 1.00 0.00 C ATOM 1542 O PRO A 99 -5.687 -18.843 -7.910 1.00 0.00 O ATOM 1543 CB PRO A 99 -8.127 -19.436 -6.675 1.00 0.00 C ATOM 1544 CG PRO A 99 -8.805 -18.076 -6.672 1.00 0.00 C ATOM 1545 CD PRO A 99 -8.147 -17.229 -5.595 1.00 0.00 C ATOM 0 HA PRO A 99 -6.680 -20.148 -5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -7.898 -19.756 -7.692 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.775 -20.197 -6.240 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.706 -17.598 -7.647 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.872 -18.182 -6.476 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.764 -16.295 -6.005 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.856 -16.966 -4.810 1.00 0.00 H new ATOM 1553 N GLY A 100 -4.461 -19.401 -6.093 1.00 0.00 N ATOM 1554 CA GLY A 100 -3.188 -19.325 -6.791 1.00 0.00 C ATOM 1555 C GLY A 100 -2.120 -18.671 -5.913 1.00 0.00 C ATOM 1556 O GLY A 100 -0.933 -18.721 -6.232 1.00 0.00 O ATOM 0 H GLY A 100 -4.393 -19.656 -5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.866 -20.326 -7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.307 -18.753 -7.711 1.00 0.00 H new ATOM 1560 N LEU A 101 -2.579 -18.072 -4.824 1.00 0.00 N ATOM 1561 CA LEU A 101 -1.678 -17.409 -3.897 1.00 0.00 C ATOM 1562 C LEU A 101 -0.811 -18.457 -3.197 1.00 0.00 C ATOM 1563 O LEU A 101 -1.264 -19.572 -2.941 1.00 0.00 O ATOM 1564 CB LEU A 101 -2.461 -16.515 -2.934 1.00 0.00 C ATOM 1565 CG LEU A 101 -1.627 -15.577 -2.060 1.00 0.00 C ATOM 1566 CD1 LEU A 101 -1.004 -14.458 -2.897 1.00 0.00 C ATOM 1567 CD2 LEU A 101 -2.455 -15.028 -0.897 1.00 0.00 C ATOM 0 H LEU A 101 -3.564 -18.032 -4.563 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.002 -16.743 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.159 -15.913 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.057 -17.153 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.808 -16.152 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.416 -13.805 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.358 -14.891 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.794 -13.879 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.837 -14.364 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.308 -14.474 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.810 -15.854 -0.281 1.00 0.00 H new ATOM 1579 N VAL A 102 0.420 -18.063 -2.906 1.00 0.00 N ATOM 1580 CA VAL A 102 1.354 -18.955 -2.240 1.00 0.00 C ATOM 1581 C VAL A 102 2.258 -18.140 -1.313 1.00 0.00 C ATOM 1582 O VAL A 102 2.587 -16.993 -1.612 1.00 0.00 O ATOM 1583 CB VAL A 102 2.135 -19.764 -3.277 1.00 0.00 C ATOM 1584 CG1 VAL A 102 3.147 -20.691 -2.601 1.00 0.00 C ATOM 1585 CG2 VAL A 102 1.188 -20.554 -4.183 1.00 0.00 C ATOM 0 H VAL A 102 0.792 -17.138 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 102 0.819 -19.675 -1.621 1.00 0.00 H new ATOM 0 HB VAL A 102 2.688 -19.062 -3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.689 -21.254 -3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.852 -20.097 -2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.623 -21.383 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.769 -21.120 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.595 -21.241 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.525 -19.865 -4.705 1.00 0.00 H new ATOM 1595 N ILE A 103 2.634 -18.764 -0.206 1.00 0.00 N ATOM 1596 CA ILE A 103 3.493 -18.111 0.766 1.00 0.00 C ATOM 1597 C ILE A 103 4.730 -18.978 1.011 1.00 0.00 C ATOM 1598 O ILE A 103 5.046 -19.305 2.154 1.00 0.00 O ATOM 1599 CB ILE A 103 2.710 -17.783 2.039 1.00 0.00 C ATOM 1600 CG1 ILE A 103 1.327 -17.222 1.702 1.00 0.00 C ATOM 1601 CG2 ILE A 103 3.505 -16.841 2.945 1.00 0.00 C ATOM 1602 CD1 ILE A 103 0.626 -16.700 2.958 1.00 0.00 C ATOM 0 H ILE A 103 2.359 -19.715 0.039 1.00 0.00 H new ATOM 0 HA ILE A 103 3.845 -17.154 0.381 1.00 0.00 H new ATOM 0 HB ILE A 103 2.556 -18.709 2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.425 -16.416 0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.719 -17.998 1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.926 -16.624 3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.446 -17.314 3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.711 -15.912 2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.355 -16.307 2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.508 -17.514 3.674 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.225 -15.907 3.406 1.00 0.00 H new ATOM 1614 N ASN A 104 5.395 -19.327 -0.080 1.00 0.00 N ATOM 1615 CA ASN A 104 6.589 -20.150 0.002 1.00 0.00 C ATOM 1616 C ASN A 104 7.152 -20.366 -1.404 1.00 0.00 C ATOM 1617 O ASN A 104 6.474 -20.102 -2.396 1.00 0.00 O ATOM 1618 CB ASN A 104 6.273 -21.522 0.601 1.00 0.00 C ATOM 1619 CG ASN A 104 7.506 -22.426 0.581 1.00 0.00 C ATOM 1620 OD1 ASN A 104 8.363 -22.370 1.447 1.00 0.00 O ATOM 1621 ND2 ASN A 104 7.548 -23.261 -0.454 1.00 0.00 N ATOM 0 H ASN A 104 5.129 -19.055 -1.026 1.00 0.00 H new ATOM 0 HA ASN A 104 7.309 -19.636 0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.922 -21.403 1.626 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.465 -21.991 0.039 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.331 -23.906 -0.558 1.00 0.00 H new ATOM 0 HD22 ASN A 104 6.797 -23.256 -1.144 1.00 0.00 H new ATOM 1628 N ASN A 105 8.387 -20.844 -1.446 1.00 0.00 N ATOM 1629 CA ASN A 105 9.049 -21.099 -2.714 1.00 0.00 C ATOM 1630 C ASN A 105 9.190 -19.784 -3.484 1.00 0.00 C ATOM 1631 O ASN A 105 8.890 -19.723 -4.675 1.00 0.00 O ATOM 1632 CB ASN A 105 8.235 -22.066 -3.575 1.00 0.00 C ATOM 1633 CG ASN A 105 8.299 -23.488 -3.013 1.00 0.00 C ATOM 1634 OD1 ASN A 105 7.293 -24.135 -2.776 1.00 0.00 O ATOM 1635 ND2 ASN A 105 9.535 -23.935 -2.813 1.00 0.00 N ATOM 0 H ASN A 105 8.947 -21.062 -0.622 1.00 0.00 H new ATOM 0 HA ASN A 105 10.024 -21.537 -2.503 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.197 -21.735 -3.618 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.615 -22.057 -4.596 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.684 -24.872 -2.439 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.334 -23.341 -3.033 1.00 0.00 H new ATOM 1642 N GLN A 106 9.645 -18.764 -2.772 1.00 0.00 N ATOM 1643 CA GLN A 106 9.829 -17.454 -3.373 1.00 0.00 C ATOM 1644 C GLN A 106 8.620 -17.093 -4.238 1.00 0.00 C ATOM 1645 O GLN A 106 7.604 -17.786 -4.212 1.00 0.00 O ATOM 1646 CB GLN A 106 11.122 -17.402 -4.189 1.00 0.00 C ATOM 1647 CG GLN A 106 11.142 -18.499 -5.255 1.00 0.00 C ATOM 1648 CD GLN A 106 12.358 -18.351 -6.172 1.00 0.00 C ATOM 1649 OE1 GLN A 106 12.758 -17.260 -6.544 1.00 0.00 O ATOM 1650 NE2 GLN A 106 12.921 -19.506 -6.515 1.00 0.00 N ATOM 0 H GLN A 106 9.892 -18.818 -1.784 1.00 0.00 H new ATOM 0 HA GLN A 106 9.913 -16.717 -2.574 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.217 -16.426 -4.665 1.00 0.00 H new ATOM 0 HB3 GLN A 106 11.979 -17.518 -3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.161 -19.477 -4.775 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.228 -18.452 -5.847 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.535 -20.384 -6.168 1.00 0.00 H new ATOM 0 HE22 GLN A 106 13.738 -19.514 -7.125 1.00 0.00 H new ATOM 1659 N LEU A 107 8.769 -16.008 -4.984 1.00 0.00 N ATOM 1660 CA LEU A 107 7.702 -15.546 -5.855 1.00 0.00 C ATOM 1661 C LEU A 107 8.104 -15.775 -7.313 1.00 0.00 C ATOM 1662 O LEU A 107 9.154 -16.356 -7.587 1.00 0.00 O ATOM 1663 CB LEU A 107 7.341 -14.093 -5.538 1.00 0.00 C ATOM 1664 CG LEU A 107 6.183 -13.888 -4.560 1.00 0.00 C ATOM 1665 CD1 LEU A 107 6.448 -12.697 -3.637 1.00 0.00 C ATOM 1666 CD2 LEU A 107 4.854 -13.751 -5.305 1.00 0.00 C ATOM 0 H LEU A 107 9.613 -15.435 -5.003 1.00 0.00 H new ATOM 0 HA LEU A 107 6.793 -16.121 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.225 -13.600 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 107 7.095 -13.588 -6.472 1.00 0.00 H new ATOM 0 HG LEU A 107 6.109 -14.774 -3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.609 -12.574 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.359 -12.875 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.564 -11.793 -4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.047 -13.606 -4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.900 -12.894 -5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.666 -14.655 -5.884 1.00 0.00 H new ATOM 1678 N VAL A 108 7.249 -15.307 -8.211 1.00 0.00 N ATOM 1679 CA VAL A 108 7.503 -15.453 -9.634 1.00 0.00 C ATOM 1680 C VAL A 108 7.853 -14.087 -10.228 1.00 0.00 C ATOM 1681 O VAL A 108 6.979 -13.239 -10.399 1.00 0.00 O ATOM 1682 CB VAL A 108 6.301 -16.112 -10.315 1.00 0.00 C ATOM 1683 CG1 VAL A 108 5.051 -16.008 -9.439 1.00 0.00 C ATOM 1684 CG2 VAL A 108 6.055 -15.506 -11.698 1.00 0.00 C ATOM 0 H VAL A 108 6.379 -14.826 -7.980 1.00 0.00 H new ATOM 0 HA VAL A 108 8.356 -16.109 -9.805 1.00 0.00 H new ATOM 0 HB VAL A 108 6.529 -17.170 -10.449 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.211 -16.484 -9.945 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.231 -16.508 -8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.819 -14.958 -9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.196 -15.992 -12.160 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.858 -14.439 -11.598 1.00 0.00 H new ATOM 0 HG23 VAL A 108 6.936 -15.655 -12.323 1.00 0.00 H new ATOM 1694 N SER A 109 9.132 -13.918 -10.528 1.00 0.00 N ATOM 1695 CA SER A 109 9.608 -12.670 -11.100 1.00 0.00 C ATOM 1696 C SER A 109 11.110 -12.760 -11.377 1.00 0.00 C ATOM 1697 O SER A 109 11.775 -13.688 -10.919 1.00 0.00 O ATOM 1698 CB SER A 109 9.310 -11.490 -10.172 1.00 0.00 C ATOM 1699 OG SER A 109 10.212 -11.436 -9.071 1.00 0.00 O ATOM 0 H SER A 109 9.854 -14.625 -10.386 1.00 0.00 H new ATOM 0 HA SER A 109 9.081 -12.502 -12.039 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.372 -10.560 -10.737 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.289 -11.570 -9.800 1.00 0.00 H new ATOM 0 HG SER A 109 9.990 -10.669 -8.503 1.00 0.00 H new ATOM 1705 N GLY A 110 11.600 -11.784 -12.127 1.00 0.00 N ATOM 1706 CA GLY A 110 13.011 -11.742 -12.471 1.00 0.00 C ATOM 1707 C GLY A 110 13.312 -10.570 -13.408 1.00 0.00 C ATOM 1708 O GLY A 110 13.561 -10.769 -14.596 1.00 0.00 O ATOM 0 H GLY A 110 11.045 -11.016 -12.506 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.608 -11.649 -11.564 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.301 -12.678 -12.949 1.00 0.00 H new ATOM 1712 N PRO A 111 13.280 -9.343 -12.823 1.00 0.00 N ATOM 1713 CA PRO A 111 13.546 -8.140 -13.592 1.00 0.00 C ATOM 1714 C PRO A 111 15.041 -7.997 -13.888 1.00 0.00 C ATOM 1715 O PRO A 111 15.521 -8.469 -14.917 1.00 0.00 O ATOM 1716 CB PRO A 111 12.997 -7.002 -12.747 1.00 0.00 C ATOM 1717 CG PRO A 111 12.864 -7.557 -11.338 1.00 0.00 C ATOM 1718 CD PRO A 111 12.989 -9.070 -11.418 1.00 0.00 C ATOM 0 HA PRO A 111 13.071 -8.155 -14.573 1.00 0.00 H new ATOM 0 HB2 PRO A 111 13.667 -6.142 -12.767 1.00 0.00 H new ATOM 0 HB3 PRO A 111 12.033 -6.664 -13.126 1.00 0.00 H new ATOM 0 HG2 PRO A 111 13.638 -7.144 -10.691 1.00 0.00 H new ATOM 0 HG3 PRO A 111 11.903 -7.276 -10.906 1.00 0.00 H new ATOM 0 HD2 PRO A 111 13.785 -9.437 -10.770 1.00 0.00 H new ATOM 0 HD3 PRO A 111 12.069 -9.561 -11.101 1.00 0.00 H new ATOM 1726 N SER A 112 15.734 -7.345 -12.966 1.00 0.00 N ATOM 1727 CA SER A 112 17.164 -7.134 -13.115 1.00 0.00 C ATOM 1728 C SER A 112 17.880 -7.458 -11.802 1.00 0.00 C ATOM 1729 O SER A 112 18.818 -8.253 -11.782 1.00 0.00 O ATOM 1730 CB SER A 112 17.467 -5.698 -13.545 1.00 0.00 C ATOM 1731 OG SER A 112 17.243 -5.499 -14.938 1.00 0.00 O ATOM 0 H SER A 112 15.332 -6.956 -12.113 1.00 0.00 H new ATOM 0 HA SER A 112 17.529 -7.802 -13.895 1.00 0.00 H new ATOM 0 HB2 SER A 112 16.842 -5.010 -12.976 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.504 -5.459 -13.307 1.00 0.00 H new ATOM 0 HG SER A 112 17.446 -4.569 -15.172 1.00 0.00 H new ATOM 1737 N SER A 113 17.409 -6.825 -10.737 1.00 0.00 N ATOM 1738 CA SER A 113 17.993 -7.035 -9.423 1.00 0.00 C ATOM 1739 C SER A 113 17.246 -8.152 -8.691 1.00 0.00 C ATOM 1740 O SER A 113 17.862 -9.095 -8.195 1.00 0.00 O ATOM 1741 CB SER A 113 17.966 -5.749 -8.596 1.00 0.00 C ATOM 1742 OG SER A 113 16.677 -5.140 -8.598 1.00 0.00 O ATOM 0 H SER A 113 16.630 -6.167 -10.757 1.00 0.00 H new ATOM 0 HA SER A 113 19.035 -7.328 -9.555 1.00 0.00 H new ATOM 0 HB2 SER A 113 18.260 -5.971 -7.570 1.00 0.00 H new ATOM 0 HB3 SER A 113 18.699 -5.047 -8.993 1.00 0.00 H new ATOM 0 HG SER A 113 16.700 -4.323 -8.058 1.00 0.00 H new ATOM 1748 N GLY A 114 15.929 -8.010 -8.647 1.00 0.00 N ATOM 1749 CA GLY A 114 15.092 -8.996 -7.985 1.00 0.00 C ATOM 1750 C GLY A 114 15.439 -9.100 -6.499 1.00 0.00 C ATOM 1751 O GLY A 114 14.658 -8.683 -5.644 1.00 0.00 O ATOM 0 H GLY A 114 15.421 -7.227 -9.059 1.00 0.00 H new ATOM 0 HA2 GLY A 114 14.043 -8.723 -8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 114 15.222 -9.968 -8.461 1.00 0.00 H new TER 1755 GLY A 114