USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 687 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 18 CYS SG : rot 151:sc= -8.66! USER MOD Set 1.2: A 77 TYR OH : rot 14:sc= -4.34! USER MOD Set 2.1: A 60 ASN : amide:sc= -2.87! C(o=-1.9!,f=-4.3!) USER MOD Set 2.2: A 64 THR OG1 : rot -37:sc= 0.967 USER MOD Single : A 1 ALA N :NH3+ -136:sc= 0.0566 (180deg=-0.104) USER MOD Single : A 5 LYS NZ :NH3+ 145:sc= -1.43 (180deg=-2.16) USER MOD Single : A 6 SER OG : rot 102:sc= -4.64! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -1.5 F(o=-2.4!,f=-1.5) USER MOD Single : A 22 SER OG : rot -137:sc= -0.109! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= -2.52! C(o=-2.5!,f=-5!) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -7.7! C(o=-9.1!,f=-7.7!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.982 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -2.11! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -4.14! C(o=-4.1!,f=-4.6!) USER MOD Single : A 82 THR OG1 : rot 16:sc= -6.95! USER MOD Single : A 87 ASN :FLIP amide:sc= -1.38 F(o=-3.3!,f=-1.4) USER MOD Single : A 89 ASN : amide:sc= -0.406 K(o=-0.41,f=-6.4!) USER MOD Single : A 93 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0443) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.567 -11.602 -0.408 1.00 0.00 N ATOM 2 CA ALA A 1 -17.582 -10.742 -1.123 1.00 0.00 C ATOM 3 C ALA A 1 -16.200 -10.907 -0.496 1.00 0.00 C ATOM 4 O ALA A 1 -15.872 -11.937 0.059 1.00 0.00 O ATOM 5 CB ALA A 1 -18.019 -9.275 -1.031 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.173 -12.086 -1.101 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.061 -12.309 0.162 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.155 -11.012 0.214 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.537 -11.041 -2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.298 -8.647 -1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.001 -9.159 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.069 -8.975 0.016 1.00 0.00 H new ATOM 13 N ASP A 2 -15.389 -9.894 -0.592 1.00 0.00 N ATOM 14 CA ASP A 2 -14.017 -9.969 -0.016 1.00 0.00 C ATOM 15 C ASP A 2 -13.787 -8.839 1.009 1.00 0.00 C ATOM 16 O ASP A 2 -12.804 -8.133 0.941 1.00 0.00 O ATOM 17 CB ASP A 2 -13.005 -9.851 -1.155 1.00 0.00 C ATOM 18 CG ASP A 2 -11.619 -9.696 -0.557 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.474 -10.013 0.610 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.730 -9.253 -1.263 1.00 0.00 O ATOM 0 H ASP A 2 -15.618 -9.010 -1.048 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.896 -10.921 0.501 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.046 -10.736 -1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.243 -8.994 -1.785 1.00 0.00 H new ATOM 25 N PRO A 3 -14.675 -8.716 1.960 1.00 0.00 N ATOM 26 CA PRO A 3 -14.527 -7.711 3.022 1.00 0.00 C ATOM 27 C PRO A 3 -13.551 -8.254 4.071 1.00 0.00 C ATOM 28 O PRO A 3 -13.316 -7.645 5.096 1.00 0.00 O ATOM 29 CB PRO A 3 -15.932 -7.601 3.616 1.00 0.00 C ATOM 30 CG PRO A 3 -16.643 -8.934 3.278 1.00 0.00 C ATOM 31 CD PRO A 3 -15.898 -9.535 2.073 1.00 0.00 C ATOM 0 HA PRO A 3 -14.147 -6.751 2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.889 -7.444 4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.470 -6.753 3.192 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.616 -9.614 4.129 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.693 -8.764 3.039 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.660 -10.586 2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.499 -9.481 1.165 1.00 0.00 H new ATOM 39 N GLU A 4 -13.018 -9.428 3.833 1.00 0.00 N ATOM 40 CA GLU A 4 -12.097 -10.055 4.823 1.00 0.00 C ATOM 41 C GLU A 4 -10.944 -10.792 4.133 1.00 0.00 C ATOM 42 O GLU A 4 -10.205 -11.516 4.768 1.00 0.00 O ATOM 43 CB GLU A 4 -12.897 -11.081 5.599 1.00 0.00 C ATOM 44 CG GLU A 4 -12.358 -11.192 7.027 1.00 0.00 C ATOM 45 CD GLU A 4 -11.954 -12.641 7.309 1.00 0.00 C ATOM 46 OE1 GLU A 4 -12.839 -13.445 7.550 1.00 0.00 O ATOM 47 OE2 GLU A 4 -10.766 -12.921 7.278 1.00 0.00 O ATOM 0 H GLU A 4 -13.184 -9.979 2.991 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.681 -9.275 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.949 -10.795 5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.840 -12.050 5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.500 -10.532 7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.117 -10.870 7.740 1.00 0.00 H new ATOM 54 N LYS A 5 -10.776 -10.633 2.855 1.00 0.00 N ATOM 55 CA LYS A 5 -9.669 -11.345 2.170 1.00 0.00 C ATOM 56 C LYS A 5 -9.058 -10.392 1.162 1.00 0.00 C ATOM 57 O LYS A 5 -8.684 -10.765 0.067 1.00 0.00 O ATOM 58 CB LYS A 5 -10.214 -12.584 1.458 1.00 0.00 C ATOM 59 CG LYS A 5 -10.662 -13.619 2.495 1.00 0.00 C ATOM 60 CD LYS A 5 -9.437 -14.189 3.215 1.00 0.00 C ATOM 61 CE LYS A 5 -9.336 -15.691 2.942 1.00 0.00 C ATOM 62 NZ LYS A 5 -9.023 -15.914 1.502 1.00 0.00 N ATOM 0 H LYS A 5 -11.355 -10.043 2.257 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.916 -11.666 2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.053 -12.309 0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.447 -13.011 0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.338 -13.158 3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.215 -14.421 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.533 -13.685 2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.515 -14.008 4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.560 -16.134 3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.274 -16.183 3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.404 -16.744 1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.905 -16.078 0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.541 -15.076 1.118 1.00 0.00 H new ATOM 76 N SER A 6 -8.969 -9.150 1.532 1.00 0.00 N ATOM 77 CA SER A 6 -8.400 -8.138 0.608 1.00 0.00 C ATOM 78 C SER A 6 -7.103 -7.609 1.203 1.00 0.00 C ATOM 79 O SER A 6 -7.092 -7.005 2.254 1.00 0.00 O ATOM 80 CB SER A 6 -9.377 -6.975 0.456 1.00 0.00 C ATOM 81 OG SER A 6 -10.688 -7.477 0.255 1.00 0.00 O ATOM 0 H SER A 6 -9.267 -8.790 2.439 1.00 0.00 H new ATOM 0 HA SER A 6 -8.218 -8.593 -0.365 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.350 -6.346 1.346 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.084 -6.348 -0.386 1.00 0.00 H new ATOM 0 HG SER A 6 -11.195 -7.412 1.091 1.00 0.00 H new ATOM 87 N TYR A 7 -6.003 -7.852 0.556 1.00 0.00 N ATOM 88 CA TYR A 7 -4.707 -7.376 1.119 1.00 0.00 C ATOM 89 C TYR A 7 -3.941 -6.521 0.104 1.00 0.00 C ATOM 90 O TYR A 7 -3.816 -6.867 -1.054 1.00 0.00 O ATOM 91 CB TYR A 7 -3.854 -8.585 1.503 1.00 0.00 C ATOM 92 CG TYR A 7 -3.902 -9.606 0.392 1.00 0.00 C ATOM 93 CD1 TYR A 7 -4.991 -10.481 0.289 1.00 0.00 C ATOM 94 CD2 TYR A 7 -2.857 -9.678 -0.537 1.00 0.00 C ATOM 95 CE1 TYR A 7 -5.034 -11.426 -0.744 1.00 0.00 C ATOM 96 CE2 TYR A 7 -2.901 -10.623 -1.569 1.00 0.00 C ATOM 97 CZ TYR A 7 -3.989 -11.497 -1.673 1.00 0.00 C ATOM 98 OH TYR A 7 -4.030 -12.428 -2.690 1.00 0.00 O ATOM 0 H TYR A 7 -5.940 -8.354 -0.330 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.917 -6.763 1.995 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.825 -8.275 1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.222 -9.023 2.431 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.797 -10.427 1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.017 -9.004 -0.457 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.874 -12.100 -0.824 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.095 -10.678 -2.285 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.227 -12.341 -3.246 1.00 0.00 H new ATOM 108 N ALA A 8 -3.403 -5.415 0.549 1.00 0.00 N ATOM 109 CA ALA A 8 -2.611 -4.536 -0.357 1.00 0.00 C ATOM 110 C ALA A 8 -1.204 -4.403 0.219 1.00 0.00 C ATOM 111 O ALA A 8 -1.023 -3.904 1.313 1.00 0.00 O ATOM 112 CB ALA A 8 -3.243 -3.148 -0.442 1.00 0.00 C ATOM 0 H ALA A 8 -3.480 -5.082 1.510 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.586 -4.972 -1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.652 -2.519 -1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.258 -3.234 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.271 -2.699 0.551 1.00 0.00 H new ATOM 118 N GLU A 9 -0.203 -4.848 -0.485 1.00 0.00 N ATOM 119 CA GLU A 9 1.174 -4.737 0.072 1.00 0.00 C ATOM 120 C GLU A 9 2.169 -4.426 -1.041 1.00 0.00 C ATOM 121 O GLU A 9 2.023 -4.856 -2.173 1.00 0.00 O ATOM 122 CB GLU A 9 1.557 -6.054 0.751 1.00 0.00 C ATOM 123 CG GLU A 9 1.859 -7.113 -0.312 1.00 0.00 C ATOM 124 CD GLU A 9 3.368 -7.362 -0.370 1.00 0.00 C ATOM 125 OE1 GLU A 9 4.089 -6.432 -0.687 1.00 0.00 O ATOM 126 OE2 GLU A 9 3.775 -8.479 -0.098 1.00 0.00 O ATOM 0 H GLU A 9 -0.274 -5.277 -1.407 1.00 0.00 H new ATOM 0 HA GLU A 9 1.198 -3.928 0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.429 -5.906 1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.745 -6.392 1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.336 -8.040 -0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.497 -6.781 -1.285 1.00 0.00 H new ATOM 133 N GLY A 10 3.179 -3.667 -0.726 1.00 0.00 N ATOM 134 CA GLY A 10 4.192 -3.322 -1.751 1.00 0.00 C ATOM 135 C GLY A 10 5.458 -2.795 -1.078 1.00 0.00 C ATOM 136 O GLY A 10 5.486 -2.594 0.120 1.00 0.00 O ATOM 0 H GLY A 10 3.344 -3.271 0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.428 -4.201 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.792 -2.570 -2.431 1.00 0.00 H new ATOM 140 N PRO A 11 6.450 -2.524 -1.890 1.00 0.00 N ATOM 141 CA PRO A 11 7.717 -1.938 -1.426 1.00 0.00 C ATOM 142 C PRO A 11 7.520 -0.426 -1.237 1.00 0.00 C ATOM 143 O PRO A 11 8.460 0.321 -1.056 1.00 0.00 O ATOM 144 CB PRO A 11 8.689 -2.224 -2.573 1.00 0.00 C ATOM 145 CG PRO A 11 7.821 -2.434 -3.836 1.00 0.00 C ATOM 146 CD PRO A 11 6.405 -2.789 -3.343 1.00 0.00 C ATOM 0 HA PRO A 11 8.074 -2.340 -0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.382 -1.394 -2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.289 -3.109 -2.362 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.803 -1.532 -4.448 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.227 -3.233 -4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.647 -2.180 -3.836 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.161 -3.831 -3.550 1.00 0.00 H new ATOM 154 N GLY A 12 6.288 0.017 -1.288 1.00 0.00 N ATOM 155 CA GLY A 12 5.974 1.459 -1.127 1.00 0.00 C ATOM 156 C GLY A 12 5.115 1.632 0.117 1.00 0.00 C ATOM 157 O GLY A 12 4.494 0.701 0.554 1.00 0.00 O ATOM 0 H GLY A 12 5.474 -0.578 -1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.893 2.039 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.447 1.832 -2.005 1.00 0.00 H new ATOM 161 N LEU A 13 5.081 2.804 0.689 1.00 0.00 N ATOM 162 CA LEU A 13 4.247 3.034 1.911 1.00 0.00 C ATOM 163 C LEU A 13 5.028 2.666 3.160 1.00 0.00 C ATOM 164 O LEU A 13 4.620 2.952 4.266 1.00 0.00 O ATOM 165 CB LEU A 13 2.928 2.249 1.800 1.00 0.00 C ATOM 166 CG LEU A 13 2.900 0.934 2.620 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.790 1.014 3.662 1.00 0.00 C ATOM 168 CD2 LEU A 13 2.603 -0.250 1.692 1.00 0.00 C ATOM 0 H LEU A 13 5.598 3.621 0.362 1.00 0.00 H new ATOM 0 HA LEU A 13 3.997 4.092 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.109 2.888 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.745 2.014 0.751 1.00 0.00 H new ATOM 0 HG LEU A 13 3.868 0.796 3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.767 0.091 4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.977 1.856 4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.831 1.153 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.584 -1.172 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.635 -0.103 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.378 -0.318 0.929 1.00 0.00 H new ATOM 180 N ASP A 14 6.169 2.078 2.995 1.00 0.00 N ATOM 181 CA ASP A 14 6.988 1.745 4.188 1.00 0.00 C ATOM 182 C ASP A 14 7.393 3.060 4.835 1.00 0.00 C ATOM 183 O ASP A 14 7.738 3.129 5.998 1.00 0.00 O ATOM 184 CB ASP A 14 8.253 1.023 3.762 1.00 0.00 C ATOM 185 CG ASP A 14 7.938 0.044 2.629 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.497 -1.053 2.926 1.00 0.00 O ATOM 187 OD2 ASP A 14 8.144 0.410 1.483 1.00 0.00 O ATOM 0 H ASP A 14 6.571 1.814 2.096 1.00 0.00 H new ATOM 0 HA ASP A 14 6.421 1.111 4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.001 1.745 3.433 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.679 0.487 4.610 1.00 0.00 H new ATOM 192 N GLY A 15 7.351 4.105 4.062 1.00 0.00 N ATOM 193 CA GLY A 15 7.729 5.449 4.578 1.00 0.00 C ATOM 194 C GLY A 15 9.244 5.572 4.665 1.00 0.00 C ATOM 195 O GLY A 15 9.960 5.310 3.720 1.00 0.00 O ATOM 0 H GLY A 15 7.068 4.086 3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.331 6.223 3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.287 5.606 5.562 1.00 0.00 H new ATOM 199 N GLY A 16 9.731 5.971 5.804 1.00 0.00 N ATOM 200 CA GLY A 16 11.204 6.120 5.988 1.00 0.00 C ATOM 201 C GLY A 16 11.772 7.201 5.073 1.00 0.00 C ATOM 202 O GLY A 16 12.370 8.155 5.530 1.00 0.00 O ATOM 0 H GLY A 16 9.170 6.203 6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.419 6.370 7.027 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.696 5.170 5.781 1.00 0.00 H new ATOM 206 N GLU A 17 11.627 7.057 3.788 1.00 0.00 N ATOM 207 CA GLU A 17 12.203 8.079 2.877 1.00 0.00 C ATOM 208 C GLU A 17 11.159 8.599 1.897 1.00 0.00 C ATOM 209 O GLU A 17 10.317 7.875 1.406 1.00 0.00 O ATOM 210 CB GLU A 17 13.332 7.453 2.075 1.00 0.00 C ATOM 211 CG GLU A 17 14.596 7.369 2.933 1.00 0.00 C ATOM 212 CD GLU A 17 14.598 6.049 3.708 1.00 0.00 C ATOM 213 OE1 GLU A 17 14.414 5.018 3.082 1.00 0.00 O ATOM 214 OE2 GLU A 17 14.783 6.091 4.913 1.00 0.00 O ATOM 0 H GLU A 17 11.140 6.285 3.333 1.00 0.00 H new ATOM 0 HA GLU A 17 12.564 8.908 3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.043 6.457 1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.527 8.046 1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.482 7.434 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.635 8.210 3.625 1.00 0.00 H new ATOM 221 N CYS A 18 11.231 9.863 1.611 1.00 0.00 N ATOM 222 CA CYS A 18 10.260 10.480 0.649 1.00 0.00 C ATOM 223 C CYS A 18 10.803 10.377 -0.779 1.00 0.00 C ATOM 224 O CYS A 18 10.074 10.528 -1.738 1.00 0.00 O ATOM 225 CB CYS A 18 10.052 11.972 0.952 1.00 0.00 C ATOM 226 SG CYS A 18 8.595 12.210 2.008 1.00 0.00 S ATOM 0 H CYS A 18 11.921 10.506 1.999 1.00 0.00 H new ATOM 0 HA CYS A 18 9.316 9.944 0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.936 12.375 1.446 1.00 0.00 H new ATOM 0 HB3 CYS A 18 9.927 12.524 0.021 1.00 0.00 H new ATOM 0 HG CYS A 18 8.754 13.278 2.732 1.00 0.00 H new ATOM 232 N PHE A 19 12.077 10.157 -0.932 1.00 0.00 N ATOM 233 CA PHE A 19 12.658 10.091 -2.309 1.00 0.00 C ATOM 234 C PHE A 19 12.681 8.660 -2.818 1.00 0.00 C ATOM 235 O PHE A 19 13.282 8.361 -3.830 1.00 0.00 O ATOM 236 CB PHE A 19 14.070 10.671 -2.311 1.00 0.00 C ATOM 237 CG PHE A 19 13.953 12.163 -2.176 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.262 12.695 -1.090 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.516 13.016 -3.133 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.127 14.070 -0.949 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.382 14.403 -2.991 1.00 0.00 C ATOM 242 CZ PHE A 19 13.684 14.927 -1.895 1.00 0.00 C ATOM 0 H PHE A 19 12.742 10.020 -0.171 1.00 0.00 H new ATOM 0 HA PHE A 19 12.029 10.682 -2.975 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.654 10.258 -1.489 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.589 10.410 -3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.829 12.035 -0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.051 12.606 -3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.589 14.475 -0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.816 15.067 -3.724 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.578 15.996 -1.784 1.00 0.00 H new ATOM 252 N GLN A 20 11.999 7.778 -2.158 1.00 0.00 N ATOM 253 CA GLN A 20 11.953 6.384 -2.648 1.00 0.00 C ATOM 254 C GLN A 20 10.645 6.236 -3.414 1.00 0.00 C ATOM 255 O GLN A 20 9.706 6.965 -3.162 1.00 0.00 O ATOM 256 CB GLN A 20 11.997 5.407 -1.465 1.00 0.00 C ATOM 257 CG GLN A 20 10.643 5.382 -0.752 1.00 0.00 C ATOM 258 CD GLN A 20 10.629 4.238 0.262 1.00 0.00 C ATOM 259 OE1 GLN A 20 10.587 4.513 1.536 1.00 0.00 O flip ATOM 260 NE2 GLN A 20 10.656 3.082 -0.108 1.00 0.00 N flip ATOM 0 H GLN A 20 11.473 7.961 -1.303 1.00 0.00 H new ATOM 0 HA GLN A 20 12.806 6.160 -3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 20 12.249 4.407 -1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 20 12.779 5.705 -0.766 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.466 6.332 -0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.839 5.251 -1.477 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.689 2.866 -1.104 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.646 2.327 0.577 1.00 0.00 H new ATOM 269 N PRO A 21 10.609 5.316 -4.327 1.00 0.00 N ATOM 270 CA PRO A 21 9.410 5.088 -5.137 1.00 0.00 C ATOM 271 C PRO A 21 8.343 4.438 -4.268 1.00 0.00 C ATOM 272 O PRO A 21 8.567 3.403 -3.675 1.00 0.00 O ATOM 273 CB PRO A 21 9.896 4.153 -6.251 1.00 0.00 C ATOM 274 CG PRO A 21 11.180 3.477 -5.718 1.00 0.00 C ATOM 275 CD PRO A 21 11.735 4.407 -4.623 1.00 0.00 C ATOM 0 HA PRO A 21 8.963 5.994 -5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.137 3.409 -6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.100 4.710 -7.165 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.960 2.489 -5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.908 3.340 -6.518 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.039 3.847 -3.739 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.611 4.955 -4.970 1.00 0.00 H new ATOM 283 N SER A 22 7.184 5.029 -4.167 1.00 0.00 N ATOM 284 CA SER A 22 6.154 4.409 -3.313 1.00 0.00 C ATOM 285 C SER A 22 5.136 3.735 -4.216 1.00 0.00 C ATOM 286 O SER A 22 4.396 4.382 -4.924 1.00 0.00 O ATOM 287 CB SER A 22 5.481 5.507 -2.521 1.00 0.00 C ATOM 288 OG SER A 22 5.364 5.106 -1.162 1.00 0.00 O ATOM 0 H SER A 22 6.916 5.897 -4.632 1.00 0.00 H new ATOM 0 HA SER A 22 6.589 3.675 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.060 6.428 -2.591 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.495 5.718 -2.936 1.00 0.00 H new ATOM 0 HG SER A 22 4.474 5.341 -0.827 1.00 0.00 H new ATOM 294 N LYS A 23 5.111 2.433 -4.211 1.00 0.00 N ATOM 295 CA LYS A 23 4.162 1.707 -5.082 1.00 0.00 C ATOM 296 C LYS A 23 3.828 0.353 -4.466 1.00 0.00 C ATOM 297 O LYS A 23 4.693 -0.355 -3.997 1.00 0.00 O ATOM 298 CB LYS A 23 4.819 1.474 -6.434 1.00 0.00 C ATOM 299 CG LYS A 23 5.650 2.698 -6.827 1.00 0.00 C ATOM 300 CD LYS A 23 6.126 2.550 -8.272 1.00 0.00 C ATOM 301 CE LYS A 23 7.033 3.728 -8.632 1.00 0.00 C ATOM 302 NZ LYS A 23 6.670 4.242 -9.982 1.00 0.00 N ATOM 0 H LYS A 23 5.712 1.842 -3.637 1.00 0.00 H new ATOM 0 HA LYS A 23 3.250 2.294 -5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.455 0.590 -6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.058 1.283 -7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.054 3.604 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.506 2.799 -6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.666 1.611 -8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.270 2.516 -8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.930 4.520 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.077 3.414 -8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.287 5.043 -10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.790 3.485 -10.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.679 4.557 -9.979 1.00 0.00 H new ATOM 316 N PHE A 24 2.582 -0.015 -4.477 1.00 0.00 N ATOM 317 CA PHE A 24 2.184 -1.336 -3.906 1.00 0.00 C ATOM 318 C PHE A 24 1.119 -1.969 -4.793 1.00 0.00 C ATOM 319 O PHE A 24 0.435 -1.294 -5.546 1.00 0.00 O ATOM 320 CB PHE A 24 1.627 -1.206 -2.477 1.00 0.00 C ATOM 321 CG PHE A 24 1.630 0.229 -2.043 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.843 0.901 -1.933 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.428 0.884 -1.757 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.867 2.236 -1.541 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.451 2.224 -1.364 1.00 0.00 C ATOM 326 CZ PHE A 24 1.675 2.896 -1.259 1.00 0.00 C ATOM 0 H PHE A 24 1.816 0.541 -4.857 1.00 0.00 H new ATOM 0 HA PHE A 24 3.078 -1.959 -3.865 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.612 -1.602 -2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.228 -1.802 -1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.767 0.386 -2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.511 0.357 -1.839 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.808 2.758 -1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.472 2.740 -1.142 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.694 3.933 -0.957 1.00 0.00 H new ATOM 336 N LYS A 25 0.970 -3.264 -4.706 1.00 0.00 N ATOM 337 CA LYS A 25 -0.050 -3.951 -5.540 1.00 0.00 C ATOM 338 C LYS A 25 -1.112 -4.534 -4.610 1.00 0.00 C ATOM 339 O LYS A 25 -0.816 -4.976 -3.515 1.00 0.00 O ATOM 340 CB LYS A 25 0.614 -5.080 -6.335 1.00 0.00 C ATOM 341 CG LYS A 25 1.626 -4.486 -7.317 1.00 0.00 C ATOM 342 CD LYS A 25 3.037 -4.924 -6.920 1.00 0.00 C ATOM 343 CE LYS A 25 3.915 -5.015 -8.171 1.00 0.00 C ATOM 344 NZ LYS A 25 4.807 -3.823 -8.239 1.00 0.00 N ATOM 0 H LYS A 25 1.512 -3.873 -4.093 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.505 -3.248 -6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.113 -5.772 -5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.141 -5.651 -6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.402 -4.817 -8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.557 -3.398 -7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.465 -4.213 -6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.001 -5.890 -6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.511 -5.927 -8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.291 -5.067 -9.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.404 -3.884 -9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.229 -2.959 -8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.411 -3.793 -7.393 1.00 0.00 H new ATOM 358 N ILE A 26 -2.352 -4.502 -5.014 1.00 0.00 N ATOM 359 CA ILE A 26 -3.417 -5.017 -4.124 1.00 0.00 C ATOM 360 C ILE A 26 -4.073 -6.246 -4.741 1.00 0.00 C ATOM 361 O ILE A 26 -4.061 -6.439 -5.940 1.00 0.00 O ATOM 362 CB ILE A 26 -4.459 -3.921 -3.923 1.00 0.00 C ATOM 363 CG1 ILE A 26 -3.736 -2.574 -3.810 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.247 -4.204 -2.642 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.716 -1.494 -3.364 1.00 0.00 C ATOM 0 H ILE A 26 -2.667 -4.144 -5.915 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.985 -5.302 -3.165 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.151 -3.894 -4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.916 -2.650 -3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.298 -2.305 -4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.993 -3.423 -2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.745 -5.170 -2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.565 -4.220 -1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.195 -0.540 -3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.521 -1.409 -4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.133 -1.760 -2.393 1.00 0.00 H new ATOM 377 N HIS A 27 -4.643 -7.079 -3.920 1.00 0.00 N ATOM 378 CA HIS A 27 -5.305 -8.304 -4.438 1.00 0.00 C ATOM 379 C HIS A 27 -6.532 -8.650 -3.588 1.00 0.00 C ATOM 380 O HIS A 27 -6.423 -8.978 -2.416 1.00 0.00 O ATOM 381 CB HIS A 27 -4.329 -9.482 -4.390 1.00 0.00 C ATOM 382 CG HIS A 27 -2.931 -8.999 -4.650 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.231 -8.235 -3.730 1.00 0.00 N ATOM 384 CD2 HIS A 27 -2.087 -9.168 -5.718 1.00 0.00 C ATOM 385 CE1 HIS A 27 -1.022 -7.975 -4.258 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.881 -8.521 -5.470 1.00 0.00 N ATOM 0 H HIS A 27 -4.679 -6.963 -2.907 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.616 -8.116 -5.466 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.380 -9.968 -3.416 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.609 -10.228 -5.133 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -2.571 -7.926 -2.819 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.323 -9.720 -6.616 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.257 -7.395 -3.763 1.00 0.00 H new ATOM 394 N ALA A 28 -7.696 -8.579 -4.175 1.00 0.00 N ATOM 395 CA ALA A 28 -8.944 -8.916 -3.424 1.00 0.00 C ATOM 396 C ALA A 28 -9.248 -10.417 -3.563 1.00 0.00 C ATOM 397 O ALA A 28 -9.062 -10.999 -4.611 1.00 0.00 O ATOM 398 CB ALA A 28 -10.110 -8.126 -4.015 1.00 0.00 C ATOM 0 H ALA A 28 -7.839 -8.301 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.808 -8.665 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.024 -8.366 -3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.907 -7.059 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.232 -8.389 -5.066 1.00 0.00 H new ATOM 404 N VAL A 29 -9.748 -11.048 -2.531 1.00 0.00 N ATOM 405 CA VAL A 29 -10.094 -12.493 -2.639 1.00 0.00 C ATOM 406 C VAL A 29 -11.534 -12.667 -2.175 1.00 0.00 C ATOM 407 O VAL A 29 -11.896 -12.308 -1.073 1.00 0.00 O ATOM 408 CB VAL A 29 -9.146 -13.341 -1.780 1.00 0.00 C ATOM 409 CG1 VAL A 29 -9.849 -14.631 -1.330 1.00 0.00 C ATOM 410 CG2 VAL A 29 -7.921 -13.711 -2.612 1.00 0.00 C ATOM 0 H VAL A 29 -9.930 -10.624 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 29 -9.989 -12.827 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.851 -12.768 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.166 -15.224 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.732 -14.378 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.148 -15.207 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.241 -14.314 -2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.234 -14.281 -3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.412 -12.803 -2.934 1.00 0.00 H new ATOM 420 N ASP A 30 -12.352 -13.207 -3.018 1.00 0.00 N ATOM 421 CA ASP A 30 -13.777 -13.404 -2.665 1.00 0.00 C ATOM 422 C ASP A 30 -13.993 -14.878 -2.306 1.00 0.00 C ATOM 423 O ASP A 30 -13.050 -15.641 -2.261 1.00 0.00 O ATOM 424 CB ASP A 30 -14.624 -12.972 -3.871 1.00 0.00 C ATOM 425 CG ASP A 30 -14.959 -14.170 -4.767 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.061 -14.950 -5.040 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.106 -14.287 -5.164 1.00 0.00 O ATOM 0 H ASP A 30 -12.092 -13.526 -3.951 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.071 -12.806 -1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.545 -12.505 -3.524 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.084 -12.222 -4.449 1.00 0.00 H new ATOM 432 N PRO A 31 -15.220 -15.236 -2.047 1.00 0.00 N ATOM 433 CA PRO A 31 -15.568 -16.615 -1.674 1.00 0.00 C ATOM 434 C PRO A 31 -15.615 -17.539 -2.900 1.00 0.00 C ATOM 435 O PRO A 31 -16.222 -18.589 -2.856 1.00 0.00 O ATOM 436 CB PRO A 31 -16.954 -16.473 -1.039 1.00 0.00 C ATOM 437 CG PRO A 31 -17.553 -15.153 -1.578 1.00 0.00 C ATOM 438 CD PRO A 31 -16.371 -14.311 -2.097 1.00 0.00 C ATOM 0 HA PRO A 31 -14.834 -17.065 -1.005 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.588 -17.321 -1.299 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.882 -16.450 0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.268 -15.350 -2.377 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.091 -14.623 -0.792 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.551 -13.953 -3.111 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.204 -13.432 -1.474 1.00 0.00 H new ATOM 446 N ASP A 32 -14.982 -17.180 -3.991 1.00 0.00 N ATOM 447 CA ASP A 32 -15.021 -18.082 -5.175 1.00 0.00 C ATOM 448 C ASP A 32 -13.599 -18.519 -5.526 1.00 0.00 C ATOM 449 O ASP A 32 -13.350 -19.068 -6.582 1.00 0.00 O ATOM 450 CB ASP A 32 -15.633 -17.338 -6.363 1.00 0.00 C ATOM 451 CG ASP A 32 -17.078 -16.958 -6.036 1.00 0.00 C ATOM 452 OD1 ASP A 32 -17.750 -17.757 -5.405 1.00 0.00 O ATOM 453 OD2 ASP A 32 -17.487 -15.876 -6.422 1.00 0.00 O ATOM 0 H ASP A 32 -14.451 -16.317 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.626 -18.959 -4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.051 -16.443 -6.584 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.603 -17.966 -7.254 1.00 0.00 H new ATOM 458 N GLY A 33 -12.655 -18.249 -4.667 1.00 0.00 N ATOM 459 CA GLY A 33 -11.249 -18.615 -4.977 1.00 0.00 C ATOM 460 C GLY A 33 -10.827 -17.723 -6.127 1.00 0.00 C ATOM 461 O GLY A 33 -10.151 -18.134 -7.049 1.00 0.00 O ATOM 0 H GLY A 33 -12.798 -17.792 -3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.606 -18.463 -4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.171 -19.667 -5.251 1.00 0.00 H new ATOM 465 N VAL A 34 -11.276 -16.499 -6.089 1.00 0.00 N ATOM 466 CA VAL A 34 -10.973 -15.549 -7.183 1.00 0.00 C ATOM 467 C VAL A 34 -10.925 -14.134 -6.617 1.00 0.00 C ATOM 468 O VAL A 34 -10.904 -13.932 -5.419 1.00 0.00 O ATOM 469 CB VAL A 34 -12.097 -15.626 -8.221 1.00 0.00 C ATOM 470 CG1 VAL A 34 -11.528 -15.346 -9.609 1.00 0.00 C ATOM 471 CG2 VAL A 34 -12.734 -17.020 -8.205 1.00 0.00 C ATOM 0 H VAL A 34 -11.847 -16.117 -5.335 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.015 -15.798 -7.640 1.00 0.00 H new ATOM 0 HB VAL A 34 -12.857 -14.883 -7.977 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.328 -15.401 -10.348 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.085 -14.350 -9.627 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -10.764 -16.087 -9.845 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.532 -17.064 -8.946 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.978 -17.768 -8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.146 -17.220 -7.216 1.00 0.00 H new ATOM 481 N HIS A 35 -10.929 -13.153 -7.470 1.00 0.00 N ATOM 482 CA HIS A 35 -10.907 -11.749 -6.983 1.00 0.00 C ATOM 483 C HIS A 35 -12.324 -11.178 -7.062 1.00 0.00 C ATOM 484 O HIS A 35 -12.566 -10.170 -7.695 1.00 0.00 O ATOM 485 CB HIS A 35 -9.963 -10.925 -7.858 1.00 0.00 C ATOM 486 CG HIS A 35 -8.543 -11.226 -7.468 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.657 -10.553 -6.671 1.00 0.00 N flip ATOM 488 CD2 HIS A 35 -7.876 -12.356 -7.904 1.00 0.00 C flip ATOM 489 CE1 HIS A 35 -6.454 -11.248 -6.610 1.00 0.00 C flip ATOM 490 NE2 HIS A 35 -6.639 -12.328 -7.370 1.00 0.00 N flip ATOM 0 H HIS A 35 -10.947 -13.262 -8.484 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.557 -11.714 -5.951 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.122 -11.162 -8.910 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.169 -9.862 -7.736 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.274 -13.121 -8.554 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.563 -10.973 -6.065 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.931 -13.045 -7.528 1.00 0.00 H new ATOM 498 N ARG A 36 -13.268 -11.831 -6.435 1.00 0.00 N ATOM 499 CA ARG A 36 -14.671 -11.347 -6.478 1.00 0.00 C ATOM 500 C ARG A 36 -15.074 -11.160 -7.932 1.00 0.00 C ATOM 501 O ARG A 36 -15.389 -10.070 -8.360 1.00 0.00 O ATOM 502 CB ARG A 36 -14.784 -10.018 -5.737 1.00 0.00 C ATOM 503 CG ARG A 36 -15.529 -10.248 -4.425 1.00 0.00 C ATOM 504 CD ARG A 36 -16.184 -8.940 -3.975 1.00 0.00 C ATOM 505 NE ARG A 36 -17.641 -8.985 -4.284 1.00 0.00 N ATOM 506 CZ ARG A 36 -18.362 -7.900 -4.197 1.00 0.00 C ATOM 507 NH1 ARG A 36 -18.018 -6.953 -3.369 1.00 0.00 N ATOM 508 NH2 ARG A 36 -19.425 -7.761 -4.942 1.00 0.00 N ATOM 0 H ARG A 36 -13.122 -12.683 -5.893 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.329 -12.072 -5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.793 -9.610 -5.541 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.314 -9.288 -6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -16.287 -11.021 -4.555 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.839 -10.604 -3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.032 -8.793 -2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.719 -8.094 -4.482 1.00 0.00 H new ATOM 0 HE ARG A 36 -18.076 -9.864 -4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -17.186 -7.060 -2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -18.581 -6.105 -3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -19.692 -8.500 -5.592 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.988 -6.913 -4.874 1.00 0.00 H new ATOM 522 N THR A 37 -15.049 -12.214 -8.699 1.00 0.00 N ATOM 523 CA THR A 37 -15.411 -12.078 -10.138 1.00 0.00 C ATOM 524 C THR A 37 -14.640 -10.883 -10.718 1.00 0.00 C ATOM 525 O THR A 37 -15.070 -9.752 -10.611 1.00 0.00 O ATOM 526 CB THR A 37 -16.916 -11.826 -10.267 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.618 -12.742 -9.433 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.342 -12.015 -11.726 1.00 0.00 C ATOM 0 H THR A 37 -14.796 -13.155 -8.396 1.00 0.00 H new ATOM 0 HA THR A 37 -15.156 -12.990 -10.678 1.00 0.00 H new ATOM 0 HB THR A 37 -17.148 -10.807 -9.958 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.582 -12.583 -9.511 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.413 -11.836 -11.818 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.800 -11.311 -12.357 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.116 -13.033 -12.042 1.00 0.00 H new ATOM 536 N ASP A 38 -13.491 -11.114 -11.306 1.00 0.00 N ATOM 537 CA ASP A 38 -12.693 -9.980 -11.858 1.00 0.00 C ATOM 538 C ASP A 38 -13.586 -9.027 -12.654 1.00 0.00 C ATOM 539 O ASP A 38 -14.770 -9.246 -12.813 1.00 0.00 O ATOM 540 CB ASP A 38 -11.591 -10.517 -12.766 1.00 0.00 C ATOM 541 CG ASP A 38 -10.289 -9.788 -12.442 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.367 -8.648 -12.014 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.239 -10.382 -12.621 1.00 0.00 O ATOM 0 H ASP A 38 -13.074 -12.037 -11.426 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.250 -9.434 -11.025 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.470 -11.590 -12.618 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.857 -10.367 -13.812 1.00 0.00 H new ATOM 548 N GLY A 39 -13.022 -7.964 -13.160 1.00 0.00 N ATOM 549 CA GLY A 39 -13.839 -6.994 -13.940 1.00 0.00 C ATOM 550 C GLY A 39 -15.118 -6.663 -13.156 1.00 0.00 C ATOM 551 O GLY A 39 -16.214 -6.799 -13.663 1.00 0.00 O ATOM 0 H GLY A 39 -12.034 -7.727 -13.067 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.267 -6.085 -14.125 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.093 -7.415 -14.913 1.00 0.00 H new ATOM 555 N GLY A 40 -14.992 -6.234 -11.921 1.00 0.00 N ATOM 556 CA GLY A 40 -16.204 -5.903 -11.119 1.00 0.00 C ATOM 557 C GLY A 40 -15.884 -6.036 -9.624 1.00 0.00 C ATOM 558 O GLY A 40 -16.477 -6.836 -8.926 1.00 0.00 O ATOM 0 H GLY A 40 -14.103 -6.101 -11.439 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.534 -4.888 -11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.023 -6.570 -11.387 1.00 0.00 H new ATOM 562 N ASP A 41 -14.955 -5.260 -9.121 1.00 0.00 N ATOM 563 CA ASP A 41 -14.613 -5.353 -7.671 1.00 0.00 C ATOM 564 C ASP A 41 -14.758 -3.975 -7.028 1.00 0.00 C ATOM 565 O ASP A 41 -14.177 -3.008 -7.478 1.00 0.00 O ATOM 566 CB ASP A 41 -13.165 -5.839 -7.506 1.00 0.00 C ATOM 567 CG ASP A 41 -13.101 -7.349 -7.741 1.00 0.00 C ATOM 568 OD1 ASP A 41 -14.064 -8.021 -7.412 1.00 0.00 O ATOM 569 OD2 ASP A 41 -12.091 -7.806 -8.250 1.00 0.00 O ATOM 0 H ASP A 41 -14.422 -4.570 -9.650 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.288 -6.060 -7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.515 -5.323 -8.212 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.802 -5.601 -6.506 1.00 0.00 H new ATOM 574 N GLY A 42 -15.522 -3.874 -5.973 1.00 0.00 N ATOM 575 CA GLY A 42 -15.683 -2.554 -5.302 1.00 0.00 C ATOM 576 C GLY A 42 -14.355 -2.185 -4.648 1.00 0.00 C ATOM 577 O GLY A 42 -14.243 -2.101 -3.441 1.00 0.00 O ATOM 0 H GLY A 42 -16.039 -4.645 -5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.974 -1.793 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.474 -2.602 -4.554 1.00 0.00 H new ATOM 581 N PHE A 43 -13.342 -1.995 -5.444 1.00 0.00 N ATOM 582 CA PHE A 43 -12.003 -1.662 -4.891 1.00 0.00 C ATOM 583 C PHE A 43 -11.740 -0.159 -4.977 1.00 0.00 C ATOM 584 O PHE A 43 -11.684 0.414 -6.049 1.00 0.00 O ATOM 585 CB PHE A 43 -10.943 -2.389 -5.715 1.00 0.00 C ATOM 586 CG PHE A 43 -10.100 -3.281 -4.834 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.591 -2.812 -3.617 1.00 0.00 C ATOM 588 CD2 PHE A 43 -9.810 -4.580 -5.257 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.787 -3.649 -2.831 1.00 0.00 C ATOM 590 CE2 PHE A 43 -9.012 -5.415 -4.474 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.497 -4.950 -3.261 1.00 0.00 C ATOM 0 H PHE A 43 -13.385 -2.057 -6.461 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.966 -1.968 -3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.424 -2.985 -6.490 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.307 -1.662 -6.220 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.817 -1.809 -3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.206 -4.940 -6.195 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.391 -3.290 -1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.793 -6.419 -4.805 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.876 -5.593 -2.656 1.00 0.00 H new ATOM 601 N VAL A 44 -11.535 0.472 -3.859 1.00 0.00 N ATOM 602 CA VAL A 44 -11.222 1.928 -3.862 1.00 0.00 C ATOM 603 C VAL A 44 -9.993 2.141 -2.975 1.00 0.00 C ATOM 604 O VAL A 44 -10.031 1.925 -1.780 1.00 0.00 O ATOM 605 CB VAL A 44 -12.427 2.755 -3.351 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.343 1.894 -2.477 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.943 3.962 -2.530 1.00 0.00 C ATOM 0 H VAL A 44 -11.571 0.040 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.015 2.267 -4.877 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.983 3.105 -4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.183 2.495 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.716 1.052 -3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.783 1.522 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.803 4.532 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.366 3.612 -1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.316 4.599 -3.154 1.00 0.00 H new ATOM 617 N VAL A 45 -8.902 2.553 -3.555 1.00 0.00 N ATOM 618 CA VAL A 45 -7.667 2.769 -2.755 1.00 0.00 C ATOM 619 C VAL A 45 -7.231 4.220 -2.892 1.00 0.00 C ATOM 620 O VAL A 45 -7.497 4.867 -3.886 1.00 0.00 O ATOM 621 CB VAL A 45 -6.559 1.863 -3.277 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.486 1.685 -2.201 1.00 0.00 C ATOM 623 CG2 VAL A 45 -7.142 0.504 -3.656 1.00 0.00 C ATOM 0 H VAL A 45 -8.812 2.750 -4.552 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.865 2.538 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.108 2.318 -4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.696 1.036 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.065 2.657 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.932 1.235 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.347 -0.142 -4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.599 0.047 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.897 0.635 -4.431 1.00 0.00 H new ATOM 633 N THR A 46 -6.559 4.742 -1.909 1.00 0.00 N ATOM 634 CA THR A 46 -6.109 6.153 -2.007 1.00 0.00 C ATOM 635 C THR A 46 -4.974 6.432 -1.024 1.00 0.00 C ATOM 636 O THR A 46 -5.059 6.144 0.154 1.00 0.00 O ATOM 637 CB THR A 46 -7.280 7.095 -1.710 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.381 6.346 -1.215 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.686 7.820 -2.993 1.00 0.00 C ATOM 0 H THR A 46 -6.304 4.257 -1.049 1.00 0.00 H new ATOM 0 HA THR A 46 -5.745 6.325 -3.020 1.00 0.00 H new ATOM 0 HB THR A 46 -6.978 7.826 -0.960 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.128 6.950 -1.024 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.519 8.491 -2.784 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.841 8.397 -3.368 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.988 7.090 -3.744 1.00 0.00 H new ATOM 647 N ILE A 47 -3.927 7.029 -1.512 1.00 0.00 N ATOM 648 CA ILE A 47 -2.776 7.394 -0.645 1.00 0.00 C ATOM 649 C ILE A 47 -2.556 8.890 -0.735 1.00 0.00 C ATOM 650 O ILE A 47 -2.882 9.517 -1.721 1.00 0.00 O ATOM 651 CB ILE A 47 -1.486 6.705 -1.116 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.384 5.295 -0.510 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.264 7.554 -0.703 1.00 0.00 C ATOM 654 CD1 ILE A 47 0.045 5.076 0.004 1.00 0.00 C ATOM 0 H ILE A 47 -3.818 7.284 -2.493 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.002 7.079 0.374 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.506 6.614 -2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.099 5.183 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.634 4.544 -1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.650 7.063 -1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.335 8.541 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.243 7.658 0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.127 4.079 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.748 5.173 -0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.276 5.821 0.765 1.00 0.00 H new ATOM 666 N GLU A 48 -1.948 9.460 0.258 1.00 0.00 N ATOM 667 CA GLU A 48 -1.658 10.910 0.159 1.00 0.00 C ATOM 668 C GLU A 48 -0.747 11.363 1.301 1.00 0.00 C ATOM 669 O GLU A 48 -0.683 10.762 2.359 1.00 0.00 O ATOM 670 CB GLU A 48 -2.958 11.721 0.180 1.00 0.00 C ATOM 671 CG GLU A 48 -4.055 10.937 0.902 1.00 0.00 C ATOM 672 CD GLU A 48 -5.280 11.836 1.089 1.00 0.00 C ATOM 673 OE1 GLU A 48 -5.257 12.655 1.992 1.00 0.00 O ATOM 674 OE2 GLU A 48 -6.217 11.690 0.323 1.00 0.00 O ATOM 0 H GLU A 48 -1.645 8.999 1.116 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.145 11.085 -0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.793 12.675 0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.272 11.946 -0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.324 10.051 0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.693 10.590 1.870 1.00 0.00 H new ATOM 681 N GLY A 49 -0.047 12.435 1.066 1.00 0.00 N ATOM 682 CA GLY A 49 0.883 13.000 2.081 1.00 0.00 C ATOM 683 C GLY A 49 1.156 14.459 1.704 1.00 0.00 C ATOM 684 O GLY A 49 0.489 15.004 0.847 1.00 0.00 O ATOM 0 H GLY A 49 -0.082 12.957 0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.445 12.938 3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.813 12.431 2.106 1.00 0.00 H new ATOM 688 N PRO A 50 2.125 15.050 2.345 1.00 0.00 N ATOM 689 CA PRO A 50 2.500 16.450 2.081 1.00 0.00 C ATOM 690 C PRO A 50 3.301 16.543 0.777 1.00 0.00 C ATOM 691 O PRO A 50 4.500 16.743 0.787 1.00 0.00 O ATOM 692 CB PRO A 50 3.365 16.824 3.287 1.00 0.00 C ATOM 693 CG PRO A 50 3.897 15.493 3.866 1.00 0.00 C ATOM 694 CD PRO A 50 2.939 14.388 3.381 1.00 0.00 C ATOM 0 HA PRO A 50 1.644 17.113 1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.187 17.475 2.989 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.782 17.367 4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.914 15.301 3.525 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.928 15.529 4.955 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.485 13.536 2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.320 14.011 4.195 1.00 0.00 H new ATOM 702 N ALA A 51 2.648 16.391 -0.345 1.00 0.00 N ATOM 703 CA ALA A 51 3.371 16.462 -1.645 1.00 0.00 C ATOM 704 C ALA A 51 2.387 16.844 -2.756 1.00 0.00 C ATOM 705 O ALA A 51 1.209 17.006 -2.509 1.00 0.00 O ATOM 706 CB ALA A 51 3.983 15.093 -1.953 1.00 0.00 C ATOM 0 H ALA A 51 1.645 16.221 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 51 4.159 17.212 -1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.514 15.137 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.680 14.819 -1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.192 14.346 -2.014 1.00 0.00 H new ATOM 712 N PRO A 52 2.902 16.976 -3.953 1.00 0.00 N ATOM 713 CA PRO A 52 2.090 17.336 -5.131 1.00 0.00 C ATOM 714 C PRO A 52 1.305 16.121 -5.637 1.00 0.00 C ATOM 715 O PRO A 52 0.096 16.156 -5.754 1.00 0.00 O ATOM 716 CB PRO A 52 3.130 17.786 -6.159 1.00 0.00 C ATOM 717 CG PRO A 52 4.472 17.139 -5.737 1.00 0.00 C ATOM 718 CD PRO A 52 4.339 16.780 -4.244 1.00 0.00 C ATOM 0 HA PRO A 52 1.347 18.105 -4.920 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.846 17.470 -7.163 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.212 18.873 -6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.677 16.249 -6.332 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.301 17.828 -5.897 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.648 15.753 -4.052 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.963 17.422 -3.622 1.00 0.00 H new ATOM 726 N VAL A 53 1.982 15.044 -5.934 1.00 0.00 N ATOM 727 CA VAL A 53 1.279 13.825 -6.427 1.00 0.00 C ATOM 728 C VAL A 53 0.888 12.955 -5.227 1.00 0.00 C ATOM 729 O VAL A 53 1.511 11.947 -4.957 1.00 0.00 O ATOM 730 CB VAL A 53 2.222 13.029 -7.334 1.00 0.00 C ATOM 731 CG1 VAL A 53 1.489 11.805 -7.884 1.00 0.00 C ATOM 732 CG2 VAL A 53 2.680 13.912 -8.497 1.00 0.00 C ATOM 0 H VAL A 53 2.995 14.956 -5.856 1.00 0.00 H new ATOM 0 HA VAL A 53 0.388 14.114 -6.985 1.00 0.00 H new ATOM 0 HB VAL A 53 3.090 12.706 -6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.160 11.239 -8.530 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.163 11.174 -7.057 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.621 12.128 -8.458 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.351 13.345 -9.142 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.812 14.236 -9.071 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.203 14.785 -8.107 1.00 0.00 H new ATOM 742 N ASP A 54 -0.124 13.339 -4.490 1.00 0.00 N ATOM 743 CA ASP A 54 -0.514 12.529 -3.302 1.00 0.00 C ATOM 744 C ASP A 54 -1.546 11.450 -3.683 1.00 0.00 C ATOM 745 O ASP A 54 -1.384 10.305 -3.307 1.00 0.00 O ATOM 746 CB ASP A 54 -1.082 13.451 -2.211 1.00 0.00 C ATOM 747 CG ASP A 54 0.047 14.299 -1.616 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.108 13.751 -1.368 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.171 15.483 -1.413 1.00 0.00 O ATOM 0 H ASP A 54 -0.690 14.170 -4.659 1.00 0.00 H new ATOM 0 HA ASP A 54 0.373 12.023 -2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.853 14.097 -2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.555 12.857 -1.429 1.00 0.00 H new ATOM 754 N PRO A 55 -2.579 11.825 -4.404 1.00 0.00 N ATOM 755 CA PRO A 55 -3.636 10.877 -4.817 1.00 0.00 C ATOM 756 C PRO A 55 -3.202 10.074 -6.049 1.00 0.00 C ATOM 757 O PRO A 55 -3.350 10.523 -7.168 1.00 0.00 O ATOM 758 CB PRO A 55 -4.812 11.788 -5.173 1.00 0.00 C ATOM 759 CG PRO A 55 -4.205 13.171 -5.510 1.00 0.00 C ATOM 760 CD PRO A 55 -2.802 13.209 -4.874 1.00 0.00 C ATOM 0 HA PRO A 55 -3.870 10.147 -4.042 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.368 11.391 -6.022 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.511 11.863 -4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.144 13.314 -6.589 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.829 13.973 -5.117 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.045 13.511 -5.598 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.757 13.921 -4.050 1.00 0.00 H new ATOM 768 N VAL A 56 -2.660 8.899 -5.866 1.00 0.00 N ATOM 769 CA VAL A 56 -2.220 8.103 -7.036 1.00 0.00 C ATOM 770 C VAL A 56 -2.707 6.662 -6.915 1.00 0.00 C ATOM 771 O VAL A 56 -2.036 5.822 -6.351 1.00 0.00 O ATOM 772 CB VAL A 56 -0.714 8.079 -7.055 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.236 7.537 -8.406 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.174 9.497 -6.850 1.00 0.00 C ATOM 0 H VAL A 56 -2.506 8.462 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.626 8.551 -7.943 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.349 7.437 -6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.854 7.517 -8.425 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.620 6.527 -8.549 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.602 8.181 -9.206 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.916 9.477 -6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.535 10.143 -7.650 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.517 9.882 -5.890 1.00 0.00 H new ATOM 784 N MET A 57 -3.849 6.359 -7.446 1.00 0.00 N ATOM 785 CA MET A 57 -4.333 4.956 -7.358 1.00 0.00 C ATOM 786 C MET A 57 -4.992 4.544 -8.676 1.00 0.00 C ATOM 787 O MET A 57 -5.724 5.301 -9.281 1.00 0.00 O ATOM 788 CB MET A 57 -5.322 4.825 -6.197 1.00 0.00 C ATOM 789 CG MET A 57 -6.656 5.463 -6.585 1.00 0.00 C ATOM 790 SD MET A 57 -7.856 4.162 -6.965 1.00 0.00 S ATOM 791 CE MET A 57 -9.318 5.224 -7.064 1.00 0.00 C ATOM 0 H MET A 57 -4.465 7.010 -7.933 1.00 0.00 H new ATOM 0 HA MET A 57 -3.487 4.293 -7.175 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.469 3.774 -5.948 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.920 5.310 -5.307 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.024 6.086 -5.770 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.523 6.114 -7.449 1.00 0.00 H new ATOM 0 HE1 MET A 57 -10.194 4.617 -7.294 1.00 0.00 H new ATOM 0 HE2 MET A 57 -9.467 5.728 -6.109 1.00 0.00 H new ATOM 0 HE3 MET A 57 -9.175 5.967 -7.848 1.00 0.00 H new ATOM 801 N VAL A 58 -4.720 3.347 -9.131 1.00 0.00 N ATOM 802 CA VAL A 58 -5.313 2.885 -10.418 1.00 0.00 C ATOM 803 C VAL A 58 -5.800 1.437 -10.293 1.00 0.00 C ATOM 804 O VAL A 58 -5.334 0.675 -9.462 1.00 0.00 O ATOM 805 CB VAL A 58 -4.271 2.951 -11.539 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.934 3.471 -12.815 1.00 0.00 C ATOM 807 CG2 VAL A 58 -3.124 3.886 -11.145 1.00 0.00 C ATOM 0 H VAL A 58 -4.113 2.672 -8.666 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.153 3.539 -10.654 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.869 1.952 -11.709 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.195 3.519 -13.615 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.741 2.798 -13.106 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.339 4.467 -12.635 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.391 3.923 -11.951 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.516 4.887 -10.965 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.647 3.515 -10.238 1.00 0.00 H new ATOM 817 N ASP A 59 -6.730 1.053 -11.130 1.00 0.00 N ATOM 818 CA ASP A 59 -7.260 -0.338 -11.096 1.00 0.00 C ATOM 819 C ASP A 59 -6.786 -1.086 -12.346 1.00 0.00 C ATOM 820 O ASP A 59 -6.850 -0.574 -13.446 1.00 0.00 O ATOM 821 CB ASP A 59 -8.792 -0.291 -11.077 1.00 0.00 C ATOM 822 CG ASP A 59 -9.358 -1.667 -11.443 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.692 -2.651 -11.168 1.00 0.00 O ATOM 824 OD2 ASP A 59 -10.447 -1.711 -11.990 1.00 0.00 O ATOM 0 H ASP A 59 -7.147 1.653 -11.842 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.900 -0.852 -10.205 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.144 0.006 -10.089 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.151 0.459 -11.782 1.00 0.00 H new ATOM 829 N ASN A 60 -6.300 -2.287 -12.187 1.00 0.00 N ATOM 830 CA ASN A 60 -5.813 -3.054 -13.372 1.00 0.00 C ATOM 831 C ASN A 60 -6.951 -3.872 -13.994 1.00 0.00 C ATOM 832 O ASN A 60 -7.001 -4.052 -15.194 1.00 0.00 O ATOM 833 CB ASN A 60 -4.680 -3.992 -12.945 1.00 0.00 C ATOM 834 CG ASN A 60 -3.783 -3.278 -11.931 1.00 0.00 C ATOM 835 OD1 ASN A 60 -3.799 -3.596 -10.759 1.00 0.00 O ATOM 836 ND2 ASN A 60 -2.996 -2.319 -12.337 1.00 0.00 N ATOM 0 H ASN A 60 -6.219 -2.770 -11.292 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.446 -2.348 -14.117 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.092 -4.901 -12.506 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.096 -4.294 -13.814 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.394 -1.836 -11.670 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.983 -2.052 -13.321 1.00 0.00 H new ATOM 843 N GLY A 61 -7.869 -4.364 -13.208 1.00 0.00 N ATOM 844 CA GLY A 61 -8.982 -5.153 -13.796 1.00 0.00 C ATOM 845 C GLY A 61 -8.720 -6.650 -13.604 1.00 0.00 C ATOM 846 O GLY A 61 -9.577 -7.473 -13.855 1.00 0.00 O ATOM 0 H GLY A 61 -7.895 -4.254 -12.194 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.924 -4.877 -13.323 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.079 -4.925 -14.858 1.00 0.00 H new ATOM 850 N ASP A 62 -7.542 -7.012 -13.166 1.00 0.00 N ATOM 851 CA ASP A 62 -7.235 -8.457 -12.966 1.00 0.00 C ATOM 852 C ASP A 62 -7.349 -8.808 -11.478 1.00 0.00 C ATOM 853 O ASP A 62 -6.564 -9.567 -10.947 1.00 0.00 O ATOM 854 CB ASP A 62 -5.814 -8.748 -13.456 1.00 0.00 C ATOM 855 CG ASP A 62 -4.829 -7.805 -12.763 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.231 -7.158 -11.810 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.691 -7.745 -13.197 1.00 0.00 O ATOM 0 H ASP A 62 -6.782 -6.370 -12.939 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.945 -9.060 -13.532 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.551 -9.784 -13.245 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.758 -8.619 -14.537 1.00 0.00 H new ATOM 862 N GLY A 63 -8.327 -8.263 -10.804 1.00 0.00 N ATOM 863 CA GLY A 63 -8.505 -8.564 -9.351 1.00 0.00 C ATOM 864 C GLY A 63 -7.394 -7.900 -8.529 1.00 0.00 C ATOM 865 O GLY A 63 -7.349 -8.020 -7.313 1.00 0.00 O ATOM 0 H GLY A 63 -9.013 -7.620 -11.198 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.478 -8.206 -9.015 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.490 -9.642 -9.192 1.00 0.00 H new ATOM 869 N THR A 64 -6.495 -7.205 -9.173 1.00 0.00 N ATOM 870 CA THR A 64 -5.395 -6.546 -8.419 1.00 0.00 C ATOM 871 C THR A 64 -5.348 -5.056 -8.757 1.00 0.00 C ATOM 872 O THR A 64 -5.678 -4.644 -9.851 1.00 0.00 O ATOM 873 CB THR A 64 -4.061 -7.189 -8.794 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.640 -6.703 -10.061 1.00 0.00 O ATOM 875 CG2 THR A 64 -4.220 -8.709 -8.851 1.00 0.00 C ATOM 0 H THR A 64 -6.476 -7.067 -10.183 1.00 0.00 H new ATOM 0 HA THR A 64 -5.576 -6.668 -7.351 1.00 0.00 H new ATOM 0 HB THR A 64 -3.313 -6.935 -8.043 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.420 -6.589 -10.643 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.267 -9.165 -9.119 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.538 -9.078 -7.876 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.969 -8.969 -9.599 1.00 0.00 H new ATOM 883 N TYR A 65 -4.950 -4.242 -7.816 1.00 0.00 N ATOM 884 CA TYR A 65 -4.891 -2.777 -8.068 1.00 0.00 C ATOM 885 C TYR A 65 -3.507 -2.253 -7.695 1.00 0.00 C ATOM 886 O TYR A 65 -2.805 -2.841 -6.898 1.00 0.00 O ATOM 887 CB TYR A 65 -5.972 -2.092 -7.233 1.00 0.00 C ATOM 888 CG TYR A 65 -7.303 -2.644 -7.665 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.592 -3.999 -7.470 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.232 -1.817 -8.298 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.803 -4.526 -7.907 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.452 -2.341 -8.729 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.739 -3.697 -8.537 1.00 0.00 C ATOM 894 OH TYR A 65 -10.939 -4.217 -8.974 1.00 0.00 O ATOM 0 H TYR A 65 -4.663 -4.532 -6.881 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.066 -2.565 -9.123 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.808 -2.276 -6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.941 -1.012 -7.378 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.873 -4.638 -6.979 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.007 -0.772 -8.454 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.021 -5.574 -7.760 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.175 -1.699 -9.211 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.472 -3.506 -9.388 1.00 0.00 H new ATOM 904 N ASP A 66 -3.096 -1.159 -8.279 1.00 0.00 N ATOM 905 CA ASP A 66 -1.744 -0.627 -7.958 1.00 0.00 C ATOM 906 C ASP A 66 -1.842 0.848 -7.583 1.00 0.00 C ATOM 907 O ASP A 66 -2.494 1.629 -8.248 1.00 0.00 O ATOM 908 CB ASP A 66 -0.833 -0.781 -9.178 1.00 0.00 C ATOM 909 CG ASP A 66 -1.009 -2.176 -9.781 1.00 0.00 C ATOM 910 OD1 ASP A 66 -1.399 -3.072 -9.051 1.00 0.00 O ATOM 911 OD2 ASP A 66 -0.750 -2.326 -10.965 1.00 0.00 O ATOM 0 H ASP A 66 -3.632 -0.617 -8.957 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.330 -1.185 -7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.073 -0.020 -9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.207 -0.628 -8.889 1.00 0.00 H new ATOM 916 N VAL A 67 -1.189 1.235 -6.526 1.00 0.00 N ATOM 917 CA VAL A 67 -1.232 2.661 -6.109 1.00 0.00 C ATOM 918 C VAL A 67 0.212 3.164 -5.944 1.00 0.00 C ATOM 919 O VAL A 67 1.078 2.416 -5.532 1.00 0.00 O ATOM 920 CB VAL A 67 -2.010 2.767 -4.794 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.217 1.828 -4.842 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.138 2.352 -3.637 1.00 0.00 C ATOM 0 H VAL A 67 -0.627 0.625 -5.932 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.734 3.275 -6.857 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.331 3.800 -4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.773 1.901 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.865 2.110 -5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.875 0.802 -4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.703 2.432 -2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.814 1.321 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.265 3.003 -3.588 1.00 0.00 H new ATOM 932 N GLU A 68 0.504 4.405 -6.280 1.00 0.00 N ATOM 933 CA GLU A 68 1.929 4.868 -6.148 1.00 0.00 C ATOM 934 C GLU A 68 2.047 6.373 -5.911 1.00 0.00 C ATOM 935 O GLU A 68 1.552 7.169 -6.660 1.00 0.00 O ATOM 936 CB GLU A 68 2.687 4.583 -7.442 1.00 0.00 C ATOM 937 CG GLU A 68 2.405 3.161 -7.938 1.00 0.00 C ATOM 938 CD GLU A 68 1.040 3.118 -8.626 1.00 0.00 C ATOM 939 OE1 GLU A 68 0.419 4.163 -8.734 1.00 0.00 O ATOM 940 OE2 GLU A 68 0.639 2.042 -9.038 1.00 0.00 O ATOM 0 H GLU A 68 -0.159 5.097 -6.629 1.00 0.00 H new ATOM 0 HA GLU A 68 2.338 4.331 -5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.395 5.304 -8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.757 4.710 -7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.184 2.846 -8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.424 2.463 -7.101 1.00 0.00 H new ATOM 947 N PHE A 69 2.802 6.764 -4.936 1.00 0.00 N ATOM 948 CA PHE A 69 3.031 8.224 -4.710 1.00 0.00 C ATOM 949 C PHE A 69 4.547 8.428 -4.507 1.00 0.00 C ATOM 950 O PHE A 69 5.263 7.501 -4.150 1.00 0.00 O ATOM 951 CB PHE A 69 2.222 8.750 -3.501 1.00 0.00 C ATOM 952 CG PHE A 69 2.690 8.102 -2.235 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.619 6.716 -2.088 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.184 8.894 -1.199 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.047 6.126 -0.899 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.607 8.300 -0.013 1.00 0.00 C ATOM 957 CZ PHE A 69 3.537 6.911 0.131 1.00 0.00 C ATOM 0 H PHE A 69 3.275 6.143 -4.280 1.00 0.00 H new ATOM 0 HA PHE A 69 2.685 8.794 -5.572 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.332 9.832 -3.425 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.161 8.547 -3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.235 6.104 -2.890 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.238 9.966 -1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.996 5.054 -0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.988 8.910 0.793 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.867 6.448 1.050 1.00 0.00 H new ATOM 967 N GLU A 70 5.058 9.605 -4.773 1.00 0.00 N ATOM 968 CA GLU A 70 6.533 9.820 -4.624 1.00 0.00 C ATOM 969 C GLU A 70 6.822 11.284 -4.245 1.00 0.00 C ATOM 970 O GLU A 70 6.867 12.143 -5.102 1.00 0.00 O ATOM 971 CB GLU A 70 7.214 9.501 -5.958 1.00 0.00 C ATOM 972 CG GLU A 70 8.680 9.940 -5.917 1.00 0.00 C ATOM 973 CD GLU A 70 9.487 8.952 -5.076 1.00 0.00 C ATOM 974 OE1 GLU A 70 9.879 7.931 -5.613 1.00 0.00 O ATOM 975 OE2 GLU A 70 9.701 9.234 -3.907 1.00 0.00 O ATOM 0 H GLU A 70 4.526 10.418 -5.083 1.00 0.00 H new ATOM 0 HA GLU A 70 6.915 9.170 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.152 8.432 -6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.696 10.010 -6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.084 9.988 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.759 10.942 -5.495 1.00 0.00 H new ATOM 982 N PRO A 71 7.005 11.523 -2.967 1.00 0.00 N ATOM 983 CA PRO A 71 7.290 12.876 -2.434 1.00 0.00 C ATOM 984 C PRO A 71 8.779 13.244 -2.570 1.00 0.00 C ATOM 985 O PRO A 71 9.599 12.441 -2.966 1.00 0.00 O ATOM 986 CB PRO A 71 6.917 12.751 -0.954 1.00 0.00 C ATOM 987 CG PRO A 71 7.005 11.244 -0.604 1.00 0.00 C ATOM 988 CD PRO A 71 6.930 10.472 -1.934 1.00 0.00 C ATOM 0 HA PRO A 71 6.743 13.654 -2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.596 13.334 -0.332 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.912 13.133 -0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.935 11.023 -0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.190 10.953 0.058 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.751 9.761 -2.029 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.004 9.902 -2.012 1.00 0.00 H new ATOM 996 N LYS A 72 9.125 14.464 -2.224 1.00 0.00 N ATOM 997 CA LYS A 72 10.554 14.913 -2.306 1.00 0.00 C ATOM 998 C LYS A 72 10.907 15.747 -1.063 1.00 0.00 C ATOM 999 O LYS A 72 11.723 16.644 -1.128 1.00 0.00 O ATOM 1000 CB LYS A 72 10.768 15.778 -3.545 1.00 0.00 C ATOM 1001 CG LYS A 72 9.726 15.438 -4.614 1.00 0.00 C ATOM 1002 CD LYS A 72 10.265 15.825 -5.994 1.00 0.00 C ATOM 1003 CE LYS A 72 10.928 14.610 -6.646 1.00 0.00 C ATOM 1004 NZ LYS A 72 10.464 14.490 -8.056 1.00 0.00 N ATOM 0 H LYS A 72 8.474 15.172 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 72 11.190 14.029 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.695 16.832 -3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.771 15.618 -3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.496 14.373 -4.587 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.796 15.970 -4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.453 16.190 -6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.985 16.638 -5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.013 14.714 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.679 13.705 -6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.914 13.664 -8.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.431 14.372 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.723 15.350 -8.581 1.00 0.00 H new ATOM 1018 N GLU A 73 10.307 15.473 0.069 1.00 0.00 N ATOM 1019 CA GLU A 73 10.628 16.255 1.289 1.00 0.00 C ATOM 1020 C GLU A 73 10.377 15.372 2.519 1.00 0.00 C ATOM 1021 O GLU A 73 10.450 14.162 2.450 1.00 0.00 O ATOM 1022 CB GLU A 73 9.728 17.495 1.328 1.00 0.00 C ATOM 1023 CG GLU A 73 8.266 17.062 1.468 1.00 0.00 C ATOM 1024 CD GLU A 73 7.352 18.273 1.279 1.00 0.00 C ATOM 1025 OE1 GLU A 73 7.022 18.570 0.142 1.00 0.00 O ATOM 1026 OE2 GLU A 73 6.994 18.882 2.274 1.00 0.00 O ATOM 0 H GLU A 73 9.609 14.740 0.195 1.00 0.00 H new ATOM 0 HA GLU A 73 11.671 16.571 1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.010 18.136 2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.859 18.081 0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.030 16.297 0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.100 16.618 2.450 1.00 0.00 H new ATOM 1033 N ALA A 74 10.052 15.964 3.632 1.00 0.00 N ATOM 1034 CA ALA A 74 9.754 15.167 4.858 1.00 0.00 C ATOM 1035 C ALA A 74 8.240 15.056 4.954 1.00 0.00 C ATOM 1036 O ALA A 74 7.537 16.044 4.880 1.00 0.00 O ATOM 1037 CB ALA A 74 10.320 15.874 6.090 1.00 0.00 C ATOM 0 H ALA A 74 9.979 16.975 3.748 1.00 0.00 H new ATOM 0 HA ALA A 74 10.210 14.178 4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.098 15.286 6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.400 15.980 5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.866 16.860 6.184 1.00 0.00 H new ATOM 1043 N GLY A 75 7.715 13.868 5.049 1.00 0.00 N ATOM 1044 CA GLY A 75 6.235 13.745 5.066 1.00 0.00 C ATOM 1045 C GLY A 75 5.791 12.395 5.615 1.00 0.00 C ATOM 1046 O GLY A 75 6.538 11.437 5.647 1.00 0.00 O ATOM 0 H GLY A 75 8.235 12.993 5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.810 14.543 5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.847 13.873 4.055 1.00 0.00 H new ATOM 1050 N ASP A 76 4.556 12.317 6.012 1.00 0.00 N ATOM 1051 CA ASP A 76 4.002 11.042 6.528 1.00 0.00 C ATOM 1052 C ASP A 76 2.960 10.585 5.525 1.00 0.00 C ATOM 1053 O ASP A 76 2.443 11.367 4.753 1.00 0.00 O ATOM 1054 CB ASP A 76 3.352 11.267 7.896 1.00 0.00 C ATOM 1055 CG ASP A 76 2.087 12.110 7.728 1.00 0.00 C ATOM 1056 OD1 ASP A 76 1.926 12.698 6.671 1.00 0.00 O ATOM 1057 OD2 ASP A 76 1.300 12.154 8.659 1.00 0.00 O ATOM 0 H ASP A 76 3.897 13.096 6.000 1.00 0.00 H new ATOM 0 HA ASP A 76 4.785 10.294 6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.105 10.310 8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.051 11.770 8.564 1.00 0.00 H new ATOM 1062 N TYR A 77 2.679 9.323 5.486 1.00 0.00 N ATOM 1063 CA TYR A 77 1.710 8.830 4.480 1.00 0.00 C ATOM 1064 C TYR A 77 0.476 8.288 5.143 1.00 0.00 C ATOM 1065 O TYR A 77 0.530 7.597 6.136 1.00 0.00 O ATOM 1066 CB TYR A 77 2.317 7.688 3.681 1.00 0.00 C ATOM 1067 CG TYR A 77 3.682 8.063 3.205 1.00 0.00 C ATOM 1068 CD1 TYR A 77 3.998 9.399 2.976 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.619 7.062 2.964 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.264 9.739 2.500 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.885 7.392 2.488 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.212 8.735 2.251 1.00 0.00 C ATOM 1073 OH TYR A 77 7.465 9.070 1.779 1.00 0.00 O ATOM 0 H TYR A 77 3.074 8.613 6.102 1.00 0.00 H new ATOM 0 HA TYR A 77 1.459 9.673 3.836 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.372 6.791 4.298 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.679 7.450 2.830 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.266 10.170 3.166 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.364 6.029 3.146 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.515 10.775 2.323 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.613 6.616 2.302 1.00 0.00 H new ATOM 0 HH TYR A 77 7.607 10.034 1.884 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.633 8.554 4.548 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.900 8.019 5.070 1.00 0.00 C ATOM 1085 C VAL A 78 -2.475 7.159 3.968 1.00 0.00 C ATOM 1086 O VAL A 78 -2.550 7.570 2.813 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.856 9.146 5.421 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.758 10.238 4.359 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.285 8.604 5.488 1.00 0.00 C ATOM 0 H VAL A 78 -0.719 9.128 3.709 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.741 7.445 5.983 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.592 9.565 6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.443 11.049 4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.738 10.622 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.023 9.824 3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.970 9.414 5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.560 8.184 4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.344 7.828 6.251 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.822 5.954 4.292 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.337 5.048 3.231 1.00 0.00 C ATOM 1101 C ILE A 79 -4.835 4.824 3.344 1.00 0.00 C ATOM 1102 O ILE A 79 -5.451 4.988 4.375 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.616 3.694 3.281 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -1.403 3.767 4.216 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -2.142 3.323 1.876 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -0.428 4.829 3.704 1.00 0.00 C ATOM 0 H ILE A 79 -2.774 5.557 5.230 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.139 5.537 2.277 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.309 2.940 3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.725 4.011 5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.908 2.797 4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.629 2.362 1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.001 3.255 1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.457 4.088 1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.435 4.881 4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.097 4.565 2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.926 5.798 3.679 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.404 4.436 2.251 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.847 4.146 2.198 1.00 0.00 C ATOM 1120 C ASN A 80 -7.045 3.046 1.158 1.00 0.00 C ATOM 1121 O ASN A 80 -6.817 3.235 -0.019 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.614 5.396 1.791 1.00 0.00 C ATOM 1123 CG ASN A 80 -7.026 6.619 2.498 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -5.902 7.002 2.241 1.00 0.00 O ATOM 1125 ND2 ASN A 80 -7.745 7.254 3.384 1.00 0.00 N ATOM 0 H ASN A 80 -4.913 4.304 1.367 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.217 3.828 3.173 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.562 5.530 0.710 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.667 5.287 2.049 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.363 8.071 3.860 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.689 6.933 3.600 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.457 1.899 1.594 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.668 0.760 0.663 1.00 0.00 C ATOM 1134 C LEU A 81 -8.973 0.104 1.067 1.00 0.00 C ATOM 1135 O LEU A 81 -9.143 -0.289 2.197 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.504 -0.231 0.798 1.00 0.00 C ATOM 1137 CG LEU A 81 -6.758 -1.517 0.001 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -7.491 -2.517 0.884 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.601 -1.230 -1.237 1.00 0.00 C ATOM 0 H LEU A 81 -7.661 1.695 2.572 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.710 1.090 -0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.584 0.238 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.356 -0.478 1.849 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.799 -1.925 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.674 -3.433 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.883 -2.744 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.442 -2.091 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.768 -2.157 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.560 -0.809 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.078 -0.519 -1.876 1.00 0.00 H new ATOM 1151 N THR A 82 -9.919 0.039 0.183 1.00 0.00 N ATOM 1152 CA THR A 82 -11.241 -0.528 0.585 1.00 0.00 C ATOM 1153 C THR A 82 -11.790 -1.508 -0.448 1.00 0.00 C ATOM 1154 O THR A 82 -11.766 -1.260 -1.637 1.00 0.00 O ATOM 1155 CB THR A 82 -12.213 0.644 0.718 1.00 0.00 C ATOM 1156 OG1 THR A 82 -11.996 1.558 -0.350 1.00 0.00 O ATOM 1157 CG2 THR A 82 -11.971 1.364 2.041 1.00 0.00 C ATOM 0 H THR A 82 -9.844 0.346 -0.787 1.00 0.00 H new ATOM 0 HA THR A 82 -11.121 -1.076 1.519 1.00 0.00 H new ATOM 0 HB THR A 82 -13.236 0.268 0.686 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.468 1.122 -1.051 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.665 2.199 2.133 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.127 0.670 2.867 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.948 1.738 2.070 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.324 -2.611 0.010 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.921 -3.599 -0.947 1.00 0.00 C ATOM 1167 C LEU A 83 -14.216 -4.165 -0.356 1.00 0.00 C ATOM 1168 O LEU A 83 -14.240 -5.283 0.106 1.00 0.00 O ATOM 1169 CB LEU A 83 -11.934 -4.746 -1.218 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.418 -5.614 -2.402 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.469 -6.610 -1.913 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -13.045 -4.729 -3.483 1.00 0.00 C ATOM 0 H LEU A 83 -12.374 -2.872 0.995 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.137 -3.092 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.947 -4.339 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.832 -5.363 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.562 -6.146 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.809 -7.221 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.033 -7.253 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.316 -6.068 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.382 -5.351 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.895 -4.190 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.305 -4.015 -3.843 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.274 -3.382 -0.366 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.607 -3.814 0.179 1.00 0.00 C ATOM 1186 C ASP A 84 -17.249 -2.629 0.893 1.00 0.00 C ATOM 1187 O ASP A 84 -18.446 -2.578 1.096 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.493 -4.995 1.154 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.467 -6.312 0.372 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -16.254 -6.262 -0.827 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -16.665 -7.345 0.986 1.00 0.00 O ATOM 0 H ASP A 84 -15.268 -2.433 -0.741 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.218 -4.148 -0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.587 -4.899 1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.334 -4.989 1.847 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.446 -1.682 1.298 1.00 0.00 N ATOM 1197 CA GLY A 85 -16.983 -0.505 2.029 1.00 0.00 C ATOM 1198 C GLY A 85 -16.155 -0.287 3.300 1.00 0.00 C ATOM 1199 O GLY A 85 -16.433 0.601 4.083 1.00 0.00 O ATOM 0 H GLY A 85 -15.437 -1.676 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.942 0.382 1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.030 -0.666 2.285 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.130 -1.079 3.513 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.291 -0.896 4.722 1.00 0.00 C ATOM 1205 C ASP A 86 -12.835 -0.818 4.274 1.00 0.00 C ATOM 1206 O ASP A 86 -12.538 -0.978 3.108 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.484 -2.084 5.668 1.00 0.00 C ATOM 1208 CG ASP A 86 -14.006 -1.703 7.070 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -13.487 -0.609 7.220 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -14.166 -2.512 7.969 1.00 0.00 O ATOM 0 H ASP A 86 -14.845 -1.841 2.898 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.573 0.015 5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.535 -2.373 5.696 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.926 -2.947 5.304 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.920 -0.574 5.165 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.503 -0.491 4.728 1.00 0.00 C ATOM 1217 C ASN A 87 -9.725 -1.691 5.254 1.00 0.00 C ATOM 1218 O ASN A 87 -10.101 -2.309 6.231 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.876 0.802 5.254 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.934 1.904 5.291 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -11.024 2.738 4.292 1.00 0.00 O flip ATOM 1222 ND2 ASN A 87 -11.688 2.008 6.239 1.00 0.00 N flip ATOM 0 H ASN A 87 -12.087 -0.430 6.161 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.466 -0.493 3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.468 0.641 6.252 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.045 1.102 4.615 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.618 1.356 7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.391 2.747 6.253 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.642 -2.032 4.611 1.00 0.00 N ATOM 1230 CA VAL A 88 -7.854 -3.200 5.082 1.00 0.00 C ATOM 1231 C VAL A 88 -7.254 -2.866 6.459 1.00 0.00 C ATOM 1232 O VAL A 88 -7.340 -1.744 6.918 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.754 -3.522 4.061 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.615 -4.297 4.730 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.360 -4.385 2.953 1.00 0.00 C ATOM 0 H VAL A 88 -8.273 -1.556 3.788 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.492 -4.079 5.179 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.355 -2.593 3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.843 -4.518 3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.189 -3.696 5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.002 -5.230 5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.592 -4.624 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.751 -5.307 3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.170 -3.839 2.468 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.689 -3.832 7.142 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.138 -3.558 8.507 1.00 0.00 C ATOM 1247 C ASN A 89 -4.744 -2.930 8.441 1.00 0.00 C ATOM 1248 O ASN A 89 -3.975 -3.017 9.378 1.00 0.00 O ATOM 1249 CB ASN A 89 -6.063 -4.867 9.295 1.00 0.00 C ATOM 1250 CG ASN A 89 -5.042 -5.801 8.641 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -4.692 -5.628 7.491 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -4.545 -6.791 9.332 1.00 0.00 N ATOM 0 H ASN A 89 -6.586 -4.793 6.816 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.804 -2.851 9.002 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.778 -4.666 10.328 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.043 -5.344 9.322 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.863 -7.419 8.906 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.839 -6.937 10.298 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.410 -2.293 7.362 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.063 -1.655 7.266 1.00 0.00 C ATOM 1261 C GLY A 90 -3.143 -0.393 6.397 1.00 0.00 C ATOM 1262 O GLY A 90 -2.140 0.126 5.948 1.00 0.00 O ATOM 0 H GLY A 90 -5.005 -2.183 6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.701 -1.399 8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.348 -2.357 6.837 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.329 0.082 6.128 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.476 1.282 5.258 1.00 0.00 C ATOM 1268 C PHE A 91 -4.904 2.533 6.020 1.00 0.00 C ATOM 1269 O PHE A 91 -4.388 3.591 5.739 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.475 0.971 4.173 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.681 0.537 2.987 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.304 -0.796 2.862 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.290 1.472 2.033 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.539 -1.200 1.776 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.523 1.077 0.943 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.144 -0.264 0.810 1.00 0.00 C ATOM 0 H PHE A 91 -5.204 -0.311 6.475 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.496 1.505 4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.162 0.186 4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.079 1.847 3.937 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.606 -1.516 3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.583 2.506 2.140 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.248 -2.235 1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.221 1.802 0.202 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.549 -0.577 -0.035 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.785 2.422 6.986 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.195 3.598 7.753 1.00 0.00 C ATOM 1288 C PRO A 92 -5.056 3.977 8.696 1.00 0.00 C ATOM 1289 O PRO A 92 -5.226 4.735 9.631 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.448 3.139 8.502 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.379 1.598 8.553 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.424 1.165 7.423 1.00 0.00 C ATOM 0 HA PRO A 92 -6.409 4.481 7.151 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.477 3.561 9.507 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.351 3.471 7.990 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.013 1.258 9.522 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.368 1.161 8.414 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.686 0.446 7.779 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.965 0.688 6.606 1.00 0.00 H new ATOM 1300 N LYS A 93 -3.882 3.456 8.436 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.718 3.775 9.279 1.00 0.00 C ATOM 1302 C LYS A 93 -1.886 4.830 8.564 1.00 0.00 C ATOM 1303 O LYS A 93 -2.064 5.097 7.378 1.00 0.00 O ATOM 1304 CB LYS A 93 -1.894 2.500 9.485 1.00 0.00 C ATOM 1305 CG LYS A 93 -0.861 2.721 10.593 1.00 0.00 C ATOM 1306 CD LYS A 93 -0.878 1.529 11.551 1.00 0.00 C ATOM 1307 CE LYS A 93 -2.238 1.454 12.246 1.00 0.00 C ATOM 1308 NZ LYS A 93 -2.863 0.129 11.978 1.00 0.00 N ATOM 0 H LYS A 93 -3.691 2.817 7.664 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.032 4.156 10.251 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.551 1.671 9.748 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.392 2.227 8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.132 2.839 10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.084 3.640 11.135 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.686 0.606 11.004 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.084 1.632 12.291 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.118 1.600 13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.886 2.253 11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.508 -0.115 12.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.397 0.171 11.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.121 -0.596 11.903 1.00 0.00 H new ATOM 1322 N THR A 94 -0.995 5.442 9.276 1.00 0.00 N ATOM 1323 CA THR A 94 -0.159 6.489 8.661 1.00 0.00 C ATOM 1324 C THR A 94 1.302 6.107 8.771 1.00 0.00 C ATOM 1325 O THR A 94 1.810 5.840 9.841 1.00 0.00 O ATOM 1326 CB THR A 94 -0.392 7.811 9.386 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.788 8.039 9.508 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.253 8.942 8.594 1.00 0.00 C ATOM 0 H THR A 94 -0.810 5.260 10.262 1.00 0.00 H new ATOM 0 HA THR A 94 -0.426 6.594 7.609 1.00 0.00 H new ATOM 0 HB THR A 94 0.053 7.771 10.380 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.941 8.887 9.975 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.088 9.888 9.110 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.324 8.759 8.505 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.191 8.989 7.600 1.00 0.00 H new ATOM 1336 N VAL A 95 1.997 6.110 7.675 1.00 0.00 N ATOM 1337 CA VAL A 95 3.442 5.775 7.744 1.00 0.00 C ATOM 1338 C VAL A 95 4.212 7.093 7.749 1.00 0.00 C ATOM 1339 O VAL A 95 3.699 8.110 7.330 1.00 0.00 O ATOM 1340 CB VAL A 95 3.846 4.872 6.571 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.350 4.949 6.332 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.491 3.428 6.910 1.00 0.00 C ATOM 0 H VAL A 95 1.636 6.326 6.746 1.00 0.00 H new ATOM 0 HA VAL A 95 3.672 5.214 8.650 1.00 0.00 H new ATOM 0 HB VAL A 95 3.318 5.204 5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.619 4.303 5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.629 5.977 6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.878 4.623 7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.775 2.779 6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.026 3.123 7.809 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.418 3.348 7.082 1.00 0.00 H new ATOM 1352 N THR A 96 5.402 7.122 8.281 1.00 0.00 N ATOM 1353 CA THR A 96 6.110 8.430 8.360 1.00 0.00 C ATOM 1354 C THR A 96 7.460 8.436 7.636 1.00 0.00 C ATOM 1355 O THR A 96 8.270 7.540 7.768 1.00 0.00 O ATOM 1356 CB THR A 96 6.336 8.778 9.833 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.095 8.735 10.523 1.00 0.00 O ATOM 1358 CG2 THR A 96 6.933 10.180 9.941 1.00 0.00 C ATOM 0 H THR A 96 5.905 6.318 8.656 1.00 0.00 H new ATOM 0 HA THR A 96 5.479 9.167 7.862 1.00 0.00 H new ATOM 0 HB THR A 96 7.024 8.058 10.276 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.238 8.956 11.467 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.094 10.427 10.990 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.885 10.212 9.411 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.247 10.903 9.499 1.00 0.00 H new ATOM 1366 N VAL A 97 7.709 9.503 6.923 1.00 0.00 N ATOM 1367 CA VAL A 97 9.007 9.695 6.220 1.00 0.00 C ATOM 1368 C VAL A 97 9.626 10.985 6.769 1.00 0.00 C ATOM 1369 O VAL A 97 8.930 11.933 7.085 1.00 0.00 O ATOM 1370 CB VAL A 97 8.798 9.798 4.699 1.00 0.00 C ATOM 1371 CG1 VAL A 97 9.943 10.566 4.071 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.829 8.410 4.071 1.00 0.00 C ATOM 0 H VAL A 97 7.047 10.269 6.797 1.00 0.00 H new ATOM 0 HA VAL A 97 9.666 8.844 6.392 1.00 0.00 H new ATOM 0 HB VAL A 97 7.841 10.292 4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.788 10.635 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.985 11.569 4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.881 10.048 4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.680 8.494 2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.794 7.943 4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.035 7.799 4.500 1.00 0.00 H new ATOM 1382 N LYS A 98 10.919 11.021 6.900 1.00 0.00 N ATOM 1383 CA LYS A 98 11.585 12.227 7.466 1.00 0.00 C ATOM 1384 C LYS A 98 12.048 13.138 6.324 1.00 0.00 C ATOM 1385 O LYS A 98 11.754 12.865 5.178 1.00 0.00 O ATOM 1386 CB LYS A 98 12.782 11.744 8.288 1.00 0.00 C ATOM 1387 CG LYS A 98 12.636 12.218 9.736 1.00 0.00 C ATOM 1388 CD LYS A 98 12.000 11.107 10.575 1.00 0.00 C ATOM 1389 CE LYS A 98 13.092 10.335 11.318 1.00 0.00 C ATOM 1390 NZ LYS A 98 12.962 8.883 11.013 1.00 0.00 N ATOM 0 H LYS A 98 11.549 10.263 6.638 1.00 0.00 H new ATOM 0 HA LYS A 98 10.902 12.796 8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.843 10.656 8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.708 12.128 7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.612 12.483 10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.020 13.116 9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.294 11.534 11.287 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.435 10.431 9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.076 10.695 11.018 1.00 0.00 H new ATOM 0 HE3 LYS A 98 13.005 10.502 12.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.703 8.355 11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.027 8.546 11.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.065 8.733 9.989 1.00 0.00 H new ATOM 1404 N PRO A 99 12.743 14.209 6.652 1.00 0.00 N ATOM 1405 CA PRO A 99 13.208 15.155 5.629 1.00 0.00 C ATOM 1406 C PRO A 99 14.280 14.500 4.773 1.00 0.00 C ATOM 1407 O PRO A 99 15.464 14.607 5.028 1.00 0.00 O ATOM 1408 CB PRO A 99 13.719 16.355 6.431 1.00 0.00 C ATOM 1409 CG PRO A 99 14.004 15.834 7.854 1.00 0.00 C ATOM 1410 CD PRO A 99 13.149 14.565 8.032 1.00 0.00 C ATOM 0 HA PRO A 99 12.435 15.466 4.926 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.621 16.768 5.980 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.978 17.154 6.451 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.063 15.610 7.981 1.00 0.00 H new ATOM 0 HG3 PRO A 99 13.746 16.584 8.601 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.719 13.762 8.500 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.283 14.753 8.667 1.00 0.00 H new ATOM 1418 N ALA A 100 13.835 13.807 3.762 1.00 0.00 N ATOM 1419 CA ALA A 100 14.749 13.093 2.834 1.00 0.00 C ATOM 1420 C ALA A 100 16.071 13.858 2.694 1.00 0.00 C ATOM 1421 O ALA A 100 16.069 15.064 2.536 1.00 0.00 O ATOM 1422 CB ALA A 100 14.063 12.992 1.474 1.00 0.00 C ATOM 0 H ALA A 100 12.846 13.705 3.536 1.00 0.00 H new ATOM 0 HA ALA A 100 14.970 12.099 3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 100 14.716 12.470 0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.129 12.440 1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.853 13.993 1.097 1.00 0.00 H new TER 1428 ALA A 100