USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 735 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 77 THR OG1 : rot 180:sc= 0.217 USER MOD Set 1.2: A 100 THR OG1 : rot -66:sc= 0.234 USER MOD Set 2.1: A 49 SER OG : rot -48:sc= 1.06 USER MOD Set 2.2: A 79 SER OG : rot 180:sc= 0.652 USER MOD Set 3.1: A 18 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Set 3.2: A 22 LYS NZ :NH3+ -179:sc= 0 (180deg=0) USER MOD Set 3.3: A 27 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 12 CYS SG : rot 180:sc= -1.69 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -139:sc= -0.994 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 14:sc= 0.654 USER MOD Single : A 44 TYR OH : rot 165:sc= -1.6 USER MOD Single : A 45 SER OG : rot 160:sc= 0.075 USER MOD Single : A 48 MET CE :methyl -136:sc= -0.298 (180deg=-2.45!) USER MOD Single : A 53 LYS NZ :NH3+ -160:sc=-0.00174 (180deg=-0.576) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.559 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -69:sc= 0.0395 USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -1.96 K(o=-2,f=-13!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -149:sc= -4.82! (180deg=-5.86!) USER MOD Single : A 94 SER OG : rot 80:sc= -0.299 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 7:sc= 0.104 USER MOD Single : A 101 THR OG1 : rot -162:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.494 16.583 4.913 1.00 0.00 N ATOM 67 CA PRO A 8 9.731 15.460 4.360 1.00 0.00 C ATOM 68 C PRO A 8 8.820 15.885 3.214 1.00 0.00 C ATOM 69 O PRO A 8 8.442 17.050 3.089 1.00 0.00 O ATOM 70 CB PRO A 8 8.901 14.975 5.551 1.00 0.00 C ATOM 71 CG PRO A 8 8.770 16.169 6.433 1.00 0.00 C ATOM 72 CD PRO A 8 10.045 16.949 6.266 1.00 0.00 C ATOM 0 HA PRO A 8 10.382 14.695 3.936 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.925 14.610 5.231 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.395 14.153 6.069 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.905 16.770 6.151 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.627 15.873 7.472 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.874 18.022 6.356 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.783 16.679 7.021 1.00 0.00 H new ATOM 80 N PRO A 9 8.458 14.920 2.356 1.00 0.00 N ATOM 81 CA PRO A 9 7.585 15.171 1.205 1.00 0.00 C ATOM 82 C PRO A 9 6.150 15.476 1.620 1.00 0.00 C ATOM 83 O PRO A 9 5.684 15.014 2.661 1.00 0.00 O ATOM 84 CB PRO A 9 7.647 13.859 0.420 1.00 0.00 C ATOM 85 CG PRO A 9 7.988 12.825 1.437 1.00 0.00 C ATOM 86 CD PRO A 9 8.871 13.510 2.443 1.00 0.00 C ATOM 0 HA PRO A 9 7.906 16.042 0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.694 13.641 -0.062 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.400 13.904 -0.367 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.088 12.432 1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.502 11.980 0.978 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.723 13.109 3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.927 13.385 2.202 1.00 0.00 H new ATOM 94 N GLY A 10 5.454 16.257 0.800 1.00 0.00 N ATOM 95 CA GLY A 10 4.079 16.610 1.100 1.00 0.00 C ATOM 96 C GLY A 10 3.148 15.415 1.041 1.00 0.00 C ATOM 97 O GLY A 10 3.580 14.272 0.896 1.00 0.00 O ATOM 0 H GLY A 10 5.818 16.652 -0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.030 17.056 2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.739 17.367 0.393 1.00 0.00 H new ATOM 101 N PRO A 11 1.837 15.675 1.157 1.00 0.00 N ATOM 102 CA PRO A 11 0.816 14.625 1.120 1.00 0.00 C ATOM 103 C PRO A 11 0.670 14.006 -0.266 1.00 0.00 C ATOM 104 O PRO A 11 0.346 14.696 -1.233 1.00 0.00 O ATOM 105 CB PRO A 11 -0.466 15.363 1.514 1.00 0.00 C ATOM 106 CG PRO A 11 -0.220 16.781 1.130 1.00 0.00 C ATOM 107 CD PRO A 11 1.252 17.015 1.332 1.00 0.00 C ATOM 0 HA PRO A 11 1.064 13.792 1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.333 14.956 0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.664 15.271 2.582 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.505 16.960 0.093 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.811 17.460 1.745 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.649 17.725 0.607 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.463 17.419 2.322 1.00 0.00 H new ATOM 115 N CYS A 12 0.911 12.703 -0.354 1.00 0.00 N ATOM 116 CA CYS A 12 0.807 11.991 -1.623 1.00 0.00 C ATOM 117 C CYS A 12 -0.646 11.652 -1.939 1.00 0.00 C ATOM 118 O CYS A 12 -1.537 11.860 -1.114 1.00 0.00 O ATOM 119 CB CYS A 12 1.645 10.711 -1.584 1.00 0.00 C ATOM 120 SG CYS A 12 3.395 10.986 -1.223 1.00 0.00 S ATOM 0 H CYS A 12 1.180 12.118 0.437 1.00 0.00 H new ATOM 0 HA CYS A 12 1.188 12.643 -2.409 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.231 10.041 -0.831 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.559 10.203 -2.545 1.00 0.00 H new ATOM 0 HG CYS A 12 4.020 9.846 -1.209 1.00 0.00 H new ATOM 126 N LEU A 13 -0.879 11.132 -3.139 1.00 0.00 N ATOM 127 CA LEU A 13 -2.226 10.766 -3.566 1.00 0.00 C ATOM 128 C LEU A 13 -2.526 9.308 -3.230 1.00 0.00 C ATOM 129 O LEU A 13 -1.625 8.492 -3.035 1.00 0.00 O ATOM 130 CB LEU A 13 -2.386 10.999 -5.069 1.00 0.00 C ATOM 131 CG LEU A 13 -2.733 12.426 -5.494 1.00 0.00 C ATOM 132 CD1 LEU A 13 -2.520 12.605 -6.989 1.00 0.00 C ATOM 133 CD2 LEU A 13 -4.167 12.762 -5.114 1.00 0.00 C ATOM 0 H LEU A 13 -0.154 10.954 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.935 11.396 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.458 10.710 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.164 10.332 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.069 13.112 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.772 13.627 -7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.476 12.407 -7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.159 11.909 -7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.396 13.781 -5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.847 12.070 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.287 12.676 -4.034 1.00 0.00 H new ATOM 145 N PRO A 14 -3.822 8.971 -3.164 1.00 0.00 N ATOM 146 CA PRO A 14 -4.271 7.610 -2.855 1.00 0.00 C ATOM 147 C PRO A 14 -3.974 6.631 -3.985 1.00 0.00 C ATOM 148 O PRO A 14 -3.999 6.982 -5.165 1.00 0.00 O ATOM 149 CB PRO A 14 -5.782 7.769 -2.669 1.00 0.00 C ATOM 150 CG PRO A 14 -6.138 8.975 -3.469 1.00 0.00 C ATOM 151 CD PRO A 14 -4.949 9.892 -3.385 1.00 0.00 C ATOM 0 HA PRO A 14 -3.761 7.201 -1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.319 6.888 -3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.040 7.901 -1.618 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.353 8.708 -4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.032 9.457 -3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.822 10.470 -4.300 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.050 10.607 -2.568 1.00 0.00 H new ATOM 159 N PRO A 15 -3.685 5.374 -3.619 1.00 0.00 N ATOM 160 CA PRO A 15 -3.378 4.318 -4.589 1.00 0.00 C ATOM 161 C PRO A 15 -4.599 3.904 -5.402 1.00 0.00 C ATOM 162 O PRO A 15 -5.703 3.789 -4.868 1.00 0.00 O ATOM 163 CB PRO A 15 -2.902 3.157 -3.711 1.00 0.00 C ATOM 164 CG PRO A 15 -3.549 3.392 -2.389 1.00 0.00 C ATOM 165 CD PRO A 15 -3.636 4.885 -2.231 1.00 0.00 C ATOM 0 HA PRO A 15 -2.643 4.643 -5.326 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.198 2.196 -4.131 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.816 3.146 -3.624 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.539 2.937 -2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.964 2.948 -1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.523 5.178 -1.670 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.774 5.283 -1.695 1.00 0.00 H new ATOM 173 N ARG A 16 -4.395 3.682 -6.697 1.00 0.00 N ATOM 174 CA ARG A 16 -5.481 3.282 -7.583 1.00 0.00 C ATOM 175 C ARG A 16 -5.592 1.762 -7.656 1.00 0.00 C ATOM 176 O ARG A 16 -4.654 1.079 -8.070 1.00 0.00 O ATOM 177 CB ARG A 16 -5.261 3.856 -8.985 1.00 0.00 C ATOM 178 CG ARG A 16 -5.716 5.299 -9.130 1.00 0.00 C ATOM 179 CD ARG A 16 -7.233 5.407 -9.133 1.00 0.00 C ATOM 180 NE ARG A 16 -7.789 5.270 -10.476 1.00 0.00 N ATOM 181 CZ ARG A 16 -9.017 5.657 -10.806 1.00 0.00 C ATOM 182 NH1 ARG A 16 -9.811 6.201 -9.895 1.00 0.00 N ATOM 183 NH2 ARG A 16 -9.451 5.499 -12.050 1.00 0.00 N ATOM 0 H ARG A 16 -3.488 3.772 -7.155 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.412 3.678 -7.177 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.202 3.791 -9.233 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.796 3.241 -9.708 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.309 5.894 -8.312 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.319 5.716 -10.055 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.652 4.636 -8.487 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.529 6.369 -8.715 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.203 4.855 -11.200 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.480 6.324 -8.938 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.753 6.497 -10.151 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.842 5.080 -12.753 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.393 5.796 -12.303 1.00 0.00 H new ATOM 197 N LEU A 17 -6.743 1.238 -7.251 1.00 0.00 N ATOM 198 CA LEU A 17 -6.978 -0.202 -7.269 1.00 0.00 C ATOM 199 C LEU A 17 -6.559 -0.804 -8.607 1.00 0.00 C ATOM 200 O LEU A 17 -7.227 -0.609 -9.621 1.00 0.00 O ATOM 201 CB LEU A 17 -8.453 -0.502 -7.001 1.00 0.00 C ATOM 202 CG LEU A 17 -8.855 -1.977 -7.034 1.00 0.00 C ATOM 203 CD1 LEU A 17 -7.943 -2.798 -6.136 1.00 0.00 C ATOM 204 CD2 LEU A 17 -10.309 -2.143 -6.616 1.00 0.00 C ATOM 0 H LEU A 17 -7.529 1.789 -6.906 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.374 -0.654 -6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.714 -0.097 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.052 0.034 -7.738 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.748 -2.341 -8.056 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.244 -3.845 -6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.913 -2.704 -6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.018 -2.434 -5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.578 -3.199 -6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.442 -1.763 -5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.950 -1.586 -7.300 1.00 0.00 H new ATOM 216 N GLN A 18 -5.451 -1.538 -8.599 1.00 0.00 N ATOM 217 CA GLN A 18 -4.945 -2.170 -9.811 1.00 0.00 C ATOM 218 C GLN A 18 -5.925 -3.219 -10.328 1.00 0.00 C ATOM 219 O GLN A 18 -6.349 -4.105 -9.587 1.00 0.00 O ATOM 220 CB GLN A 18 -3.583 -2.814 -9.546 1.00 0.00 C ATOM 221 CG GLN A 18 -2.670 -2.828 -10.761 1.00 0.00 C ATOM 222 CD GLN A 18 -1.555 -3.848 -10.641 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.541 -4.856 -11.347 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.610 -3.590 -9.743 1.00 0.00 N ATOM 0 H GLN A 18 -4.887 -1.709 -7.767 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.832 -1.398 -10.572 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.088 -2.278 -8.736 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.735 -3.838 -9.204 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.260 -3.043 -11.652 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.237 -1.837 -10.897 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.661 -2.742 -9.179 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.166 -4.240 -9.618 1.00 0.00 H new ATOM 233 N GLY A 19 -6.281 -3.112 -11.604 1.00 0.00 N ATOM 234 CA GLY A 19 -7.208 -4.057 -12.198 1.00 0.00 C ATOM 235 C GLY A 19 -8.397 -4.344 -11.301 1.00 0.00 C ATOM 236 O GLY A 19 -9.241 -3.475 -11.081 1.00 0.00 O ATOM 0 H GLY A 19 -5.944 -2.387 -12.237 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.562 -3.664 -13.151 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.685 -4.989 -12.412 1.00 0.00 H new ATOM 240 N ARG A 20 -8.464 -5.566 -10.784 1.00 0.00 N ATOM 241 CA ARG A 20 -9.560 -5.966 -9.909 1.00 0.00 C ATOM 242 C ARG A 20 -9.028 -6.558 -8.608 1.00 0.00 C ATOM 243 O ARG A 20 -8.049 -7.305 -8.591 1.00 0.00 O ATOM 244 CB ARG A 20 -10.459 -6.982 -10.615 1.00 0.00 C ATOM 245 CG ARG A 20 -11.184 -6.417 -11.826 1.00 0.00 C ATOM 246 CD ARG A 20 -12.257 -5.421 -11.418 1.00 0.00 C ATOM 247 NE ARG A 20 -13.447 -6.083 -10.891 1.00 0.00 N ATOM 248 CZ ARG A 20 -14.372 -6.651 -11.657 1.00 0.00 C ATOM 249 NH1 ARG A 20 -14.243 -6.639 -12.977 1.00 0.00 N ATOM 250 NH2 ARG A 20 -15.427 -7.235 -11.104 1.00 0.00 N ATOM 0 H ARG A 20 -7.773 -6.296 -10.956 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.145 -5.078 -9.671 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.854 -7.833 -10.929 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.195 -7.358 -9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.466 -5.930 -12.487 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.638 -7.231 -12.392 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.855 -4.744 -10.664 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.532 -4.812 -12.279 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.575 -6.111 -9.879 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.432 -6.193 -13.406 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.955 -7.076 -13.563 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.529 -7.248 -10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.136 -7.671 -11.694 1.00 0.00 H new ATOM 264 N PRO A 21 -9.686 -6.219 -7.490 1.00 0.00 N ATOM 265 CA PRO A 21 -9.297 -6.706 -6.163 1.00 0.00 C ATOM 266 C PRO A 21 -9.572 -8.196 -5.989 1.00 0.00 C ATOM 267 O PRO A 21 -10.202 -8.825 -6.840 1.00 0.00 O ATOM 268 CB PRO A 21 -10.174 -5.886 -5.213 1.00 0.00 C ATOM 269 CG PRO A 21 -11.362 -5.506 -6.027 1.00 0.00 C ATOM 270 CD PRO A 21 -10.861 -5.333 -7.435 1.00 0.00 C ATOM 0 HA PRO A 21 -8.228 -6.591 -5.984 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.463 -6.469 -4.339 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.646 -5.005 -4.848 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.131 -6.277 -5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.811 -4.584 -5.656 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.615 -5.620 -8.168 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.593 -4.297 -7.642 1.00 0.00 H new ATOM 278 N LYS A 22 -9.096 -8.755 -4.882 1.00 0.00 N ATOM 279 CA LYS A 22 -9.292 -10.171 -4.594 1.00 0.00 C ATOM 280 C LYS A 22 -10.119 -10.360 -3.327 1.00 0.00 C ATOM 281 O LYS A 22 -10.535 -9.389 -2.696 1.00 0.00 O ATOM 282 CB LYS A 22 -7.940 -10.873 -4.443 1.00 0.00 C ATOM 283 CG LYS A 22 -6.971 -10.577 -5.574 1.00 0.00 C ATOM 284 CD LYS A 22 -7.159 -11.538 -6.736 1.00 0.00 C ATOM 285 CE LYS A 22 -6.745 -10.905 -8.056 1.00 0.00 C ATOM 286 NZ LYS A 22 -5.283 -11.045 -8.303 1.00 0.00 N ATOM 0 H LYS A 22 -8.571 -8.249 -4.169 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.834 -10.614 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.487 -10.571 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.103 -11.949 -4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.116 -9.554 -5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.948 -10.647 -5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.571 -12.439 -6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.203 -11.845 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.298 -11.371 -8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.013 -9.849 -8.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.038 -10.586 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.755 -10.593 -7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.034 -12.054 -8.349 1.00 0.00 H new ATOM 300 N ALA A 23 -10.354 -11.616 -2.960 1.00 0.00 N ATOM 301 CA ALA A 23 -11.128 -11.931 -1.767 1.00 0.00 C ATOM 302 C ALA A 23 -10.425 -11.434 -0.508 1.00 0.00 C ATOM 303 O ALA A 23 -11.002 -10.693 0.287 1.00 0.00 O ATOM 304 CB ALA A 23 -11.376 -13.430 -1.679 1.00 0.00 C ATOM 0 H ALA A 23 -10.019 -12.432 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.087 -11.419 -1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.955 -13.651 -0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.929 -13.760 -2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.422 -13.955 -1.632 1.00 0.00 H new ATOM 310 N LYS A 24 -9.174 -11.849 -0.333 1.00 0.00 N ATOM 311 CA LYS A 24 -8.390 -11.446 0.829 1.00 0.00 C ATOM 312 C LYS A 24 -7.117 -10.724 0.401 1.00 0.00 C ATOM 313 O LYS A 24 -6.160 -10.629 1.169 1.00 0.00 O ATOM 314 CB LYS A 24 -8.036 -12.668 1.679 1.00 0.00 C ATOM 315 CG LYS A 24 -9.234 -13.535 2.027 1.00 0.00 C ATOM 316 CD LYS A 24 -8.954 -14.414 3.234 1.00 0.00 C ATOM 317 CE LYS A 24 -10.230 -15.038 3.777 1.00 0.00 C ATOM 318 NZ LYS A 24 -10.535 -16.339 3.120 1.00 0.00 N ATOM 0 H LYS A 24 -8.682 -12.464 -0.981 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.993 -10.760 1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.304 -13.273 1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.560 -12.333 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.097 -12.901 2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.492 -14.160 1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.252 -15.201 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.477 -13.821 4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.132 -15.188 4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.063 -14.351 3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.412 -16.732 3.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.654 -16.192 2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.752 -17.003 3.285 1.00 0.00 H new ATOM 332 N GLU A 25 -7.113 -10.216 -0.827 1.00 0.00 N ATOM 333 CA GLU A 25 -5.956 -9.501 -1.354 1.00 0.00 C ATOM 334 C GLU A 25 -6.392 -8.358 -2.266 1.00 0.00 C ATOM 335 O GLU A 25 -7.476 -8.395 -2.850 1.00 0.00 O ATOM 336 CB GLU A 25 -5.043 -10.460 -2.121 1.00 0.00 C ATOM 337 CG GLU A 25 -4.423 -11.538 -1.248 1.00 0.00 C ATOM 338 CD GLU A 25 -4.153 -12.822 -2.009 1.00 0.00 C ATOM 339 OE1 GLU A 25 -3.537 -12.750 -3.093 1.00 0.00 O ATOM 340 OE2 GLU A 25 -4.559 -13.898 -1.521 1.00 0.00 O ATOM 0 H GLU A 25 -7.897 -10.286 -1.475 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.406 -9.081 -0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.616 -10.934 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.247 -9.888 -2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.489 -11.166 -0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.088 -11.749 -0.411 1.00 0.00 H new ATOM 347 N ILE A 26 -5.541 -7.345 -2.383 1.00 0.00 N ATOM 348 CA ILE A 26 -5.837 -6.192 -3.224 1.00 0.00 C ATOM 349 C ILE A 26 -4.560 -5.590 -3.802 1.00 0.00 C ATOM 350 O ILE A 26 -3.534 -5.522 -3.126 1.00 0.00 O ATOM 351 CB ILE A 26 -6.595 -5.104 -2.440 1.00 0.00 C ATOM 352 CG1 ILE A 26 -7.818 -5.704 -1.745 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.009 -3.973 -3.370 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.610 -4.697 -0.939 1.00 0.00 C ATOM 0 H ILE A 26 -4.641 -7.299 -1.906 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.468 -6.549 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.931 -4.697 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.470 -6.150 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.493 -6.509 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.544 -3.212 -2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.122 -3.531 -3.823 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.659 -4.365 -4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.462 -5.192 -0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.973 -4.269 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.966 -3.904 -1.596 1.00 0.00 H new ATOM 366 N GLN A 27 -4.633 -5.155 -5.055 1.00 0.00 N ATOM 367 CA GLN A 27 -3.482 -4.558 -5.724 1.00 0.00 C ATOM 368 C GLN A 27 -3.606 -3.038 -5.766 1.00 0.00 C ATOM 369 O GLN A 27 -4.634 -2.500 -6.179 1.00 0.00 O ATOM 370 CB GLN A 27 -3.347 -5.111 -7.144 1.00 0.00 C ATOM 371 CG GLN A 27 -2.859 -6.549 -7.192 1.00 0.00 C ATOM 372 CD GLN A 27 -3.130 -7.213 -8.528 1.00 0.00 C ATOM 373 OE1 GLN A 27 -3.006 -6.587 -9.582 1.00 0.00 O ATOM 374 NE2 GLN A 27 -3.503 -8.487 -8.492 1.00 0.00 N ATOM 0 H GLN A 27 -5.476 -5.204 -5.628 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.588 -4.816 -5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.314 -5.047 -7.643 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.656 -4.482 -7.706 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.788 -6.572 -6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.345 -7.120 -6.401 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.593 -8.967 -7.596 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.699 -8.986 -9.360 1.00 0.00 H new ATOM 383 N LEU A 28 -2.552 -2.352 -5.338 1.00 0.00 N ATOM 384 CA LEU A 28 -2.543 -0.893 -5.327 1.00 0.00 C ATOM 385 C LEU A 28 -1.523 -0.348 -6.322 1.00 0.00 C ATOM 386 O LEU A 28 -0.424 -0.885 -6.456 1.00 0.00 O ATOM 387 CB LEU A 28 -2.228 -0.376 -3.922 1.00 0.00 C ATOM 388 CG LEU A 28 -3.354 -0.498 -2.894 1.00 0.00 C ATOM 389 CD1 LEU A 28 -4.708 -0.313 -3.561 1.00 0.00 C ATOM 390 CD2 LEU A 28 -3.286 -1.843 -2.186 1.00 0.00 C ATOM 0 H LEU A 28 -1.693 -2.782 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.533 -0.545 -5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.359 -0.915 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.944 0.674 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.228 0.289 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.497 -0.403 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.755 0.674 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.844 -1.077 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.094 -1.912 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.387 -2.645 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.328 -1.937 -1.674 1.00 0.00 H new ATOM 402 N ARG A 29 -1.895 0.724 -7.015 1.00 0.00 N ATOM 403 CA ARG A 29 -1.012 1.342 -7.997 1.00 0.00 C ATOM 404 C ARG A 29 -1.007 2.860 -7.842 1.00 0.00 C ATOM 405 O ARG A 29 -1.936 3.542 -8.274 1.00 0.00 O ATOM 406 CB ARG A 29 -1.447 0.965 -9.414 1.00 0.00 C ATOM 407 CG ARG A 29 -0.610 1.618 -10.502 1.00 0.00 C ATOM 408 CD ARG A 29 0.570 0.744 -10.896 1.00 0.00 C ATOM 409 NE ARG A 29 1.032 1.028 -12.253 1.00 0.00 N ATOM 410 CZ ARG A 29 0.377 0.651 -13.345 1.00 0.00 C ATOM 411 NH1 ARG A 29 -0.761 -0.021 -13.242 1.00 0.00 N ATOM 412 NH2 ARG A 29 0.861 0.946 -14.545 1.00 0.00 N ATOM 0 H ARG A 29 -2.801 1.182 -6.915 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.001 0.972 -7.824 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.392 -0.118 -9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.491 1.247 -9.552 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.232 1.808 -11.377 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.248 2.585 -10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.389 0.902 -10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.285 -0.305 -10.822 1.00 0.00 H new ATOM 0 HE ARG A 29 1.905 1.544 -12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.136 -0.250 -12.322 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.261 -0.309 -14.083 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.737 1.463 -14.629 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.357 0.656 -15.383 1.00 0.00 H new ATOM 426 N TRP A 30 0.046 3.382 -7.222 1.00 0.00 N ATOM 427 CA TRP A 30 0.172 4.820 -7.010 1.00 0.00 C ATOM 428 C TRP A 30 1.387 5.374 -7.746 1.00 0.00 C ATOM 429 O TRP A 30 2.057 4.656 -8.487 1.00 0.00 O ATOM 430 CB TRP A 30 0.281 5.128 -5.516 1.00 0.00 C ATOM 431 CG TRP A 30 1.465 4.484 -4.861 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.660 5.074 -4.565 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.567 3.124 -4.424 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.499 4.164 -3.969 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.853 2.961 -3.871 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.698 2.030 -4.443 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.287 1.747 -3.344 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.131 0.826 -3.921 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.416 0.692 -3.377 1.00 0.00 C ATOM 0 H TRP A 30 0.824 2.832 -6.858 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.721 5.301 -7.409 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.342 6.208 -5.379 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.628 4.793 -5.016 1.00 0.00 H new ATOM 0 HD1 TRP A 30 2.909 6.105 -4.769 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.449 4.354 -3.651 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.295 2.124 -4.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.276 1.642 -2.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.468 -0.026 -3.932 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.725 -0.262 -2.976 1.00 0.00 H new ATOM 450 N GLY A 31 1.667 6.657 -7.536 1.00 0.00 N ATOM 451 CA GLY A 31 2.801 7.285 -8.186 1.00 0.00 C ATOM 452 C GLY A 31 3.518 8.268 -7.281 1.00 0.00 C ATOM 453 O GLY A 31 3.096 8.528 -6.154 1.00 0.00 O ATOM 0 H GLY A 31 1.128 7.272 -6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.502 6.516 -8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.461 7.803 -9.083 1.00 0.00 H new ATOM 457 N PRO A 32 4.630 8.831 -7.776 1.00 0.00 N ATOM 458 CA PRO A 32 5.431 9.799 -7.020 1.00 0.00 C ATOM 459 C PRO A 32 4.715 11.133 -6.845 1.00 0.00 C ATOM 460 O PRO A 32 4.082 11.651 -7.766 1.00 0.00 O ATOM 461 CB PRO A 32 6.684 9.973 -7.882 1.00 0.00 C ATOM 462 CG PRO A 32 6.243 9.631 -9.264 1.00 0.00 C ATOM 463 CD PRO A 32 5.191 8.568 -9.112 1.00 0.00 C ATOM 0 HA PRO A 32 5.639 9.454 -6.007 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.063 10.994 -7.828 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.488 9.317 -7.549 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.842 10.507 -9.774 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.079 9.270 -9.862 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.430 8.642 -9.889 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.618 7.567 -9.178 1.00 0.00 H new ATOM 471 N PRO A 33 4.815 11.706 -5.636 1.00 0.00 N ATOM 472 CA PRO A 33 4.183 12.989 -5.313 1.00 0.00 C ATOM 473 C PRO A 33 4.848 14.159 -6.030 1.00 0.00 C ATOM 474 O PRO A 33 5.929 14.016 -6.603 1.00 0.00 O ATOM 475 CB PRO A 33 4.378 13.109 -3.800 1.00 0.00 C ATOM 476 CG PRO A 33 5.580 12.279 -3.505 1.00 0.00 C ATOM 477 CD PRO A 33 5.552 11.145 -4.492 1.00 0.00 C ATOM 0 HA PRO A 33 3.139 13.020 -5.626 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.530 14.146 -3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.504 12.747 -3.258 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.494 12.864 -3.609 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.555 11.906 -2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.558 10.834 -4.775 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.051 10.268 -4.082 1.00 0.00 H new ATOM 485 N LEU A 34 4.195 15.315 -5.995 1.00 0.00 N ATOM 486 CA LEU A 34 4.724 16.512 -6.642 1.00 0.00 C ATOM 487 C LEU A 34 5.775 17.185 -5.765 1.00 0.00 C ATOM 488 O LEU A 34 6.777 17.699 -6.263 1.00 0.00 O ATOM 489 CB LEU A 34 3.591 17.494 -6.945 1.00 0.00 C ATOM 490 CG LEU A 34 2.913 17.337 -8.307 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.484 17.854 -8.254 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.706 18.062 -9.384 1.00 0.00 C ATOM 0 H LEU A 34 3.299 15.450 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 34 5.196 16.212 -7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.832 17.392 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.986 18.507 -6.873 1.00 0.00 H new ATOM 0 HG LEU A 34 2.884 16.277 -8.558 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.017 17.734 -9.232 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.920 17.290 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.489 18.909 -7.981 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.209 17.940 -10.346 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.767 19.122 -9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.711 17.644 -9.439 1.00 0.00 H new ATOM 504 N VAL A 35 5.541 17.177 -4.457 1.00 0.00 N ATOM 505 CA VAL A 35 6.469 17.784 -3.510 1.00 0.00 C ATOM 506 C VAL A 35 7.283 16.721 -2.781 1.00 0.00 C ATOM 507 O VAL A 35 6.780 16.050 -1.879 1.00 0.00 O ATOM 508 CB VAL A 35 5.728 18.649 -2.474 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.694 19.598 -1.781 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.594 19.418 -3.135 1.00 0.00 C ATOM 0 H VAL A 35 4.716 16.757 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 35 7.141 18.419 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 35 5.298 17.991 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.152 20.201 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.467 19.022 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.156 20.252 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.081 20.024 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.999 20.066 -3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.888 18.716 -3.579 1.00 0.00 H new ATOM 520 N ASP A 36 8.542 16.574 -3.175 1.00 0.00 N ATOM 521 CA ASP A 36 9.428 15.594 -2.558 1.00 0.00 C ATOM 522 C ASP A 36 10.336 16.255 -1.526 1.00 0.00 C ATOM 523 O ASP A 36 11.397 15.731 -1.190 1.00 0.00 O ATOM 524 CB ASP A 36 10.272 14.894 -3.624 1.00 0.00 C ATOM 525 CG ASP A 36 11.297 15.820 -4.250 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.594 16.872 -3.646 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.803 15.491 -5.343 1.00 0.00 O ATOM 0 H ASP A 36 8.973 17.122 -3.920 1.00 0.00 H new ATOM 0 HA ASP A 36 8.811 14.853 -2.050 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.782 14.041 -3.177 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.617 14.502 -4.402 1.00 0.00 H new ATOM 532 N GLY A 37 9.911 17.412 -1.026 1.00 0.00 N ATOM 533 CA GLY A 37 10.698 18.127 -0.038 1.00 0.00 C ATOM 534 C GLY A 37 12.054 18.546 -0.570 1.00 0.00 C ATOM 535 O GLY A 37 12.983 18.786 0.200 1.00 0.00 O ATOM 0 H GLY A 37 9.036 17.866 -1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.150 19.011 0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.835 17.495 0.840 1.00 0.00 H new ATOM 539 N GLY A 38 12.169 18.632 -1.892 1.00 0.00 N ATOM 540 CA GLY A 38 13.425 19.023 -2.503 1.00 0.00 C ATOM 541 C GLY A 38 14.296 17.832 -2.852 1.00 0.00 C ATOM 542 O GLY A 38 15.064 17.876 -3.813 1.00 0.00 O ATOM 0 H GLY A 38 11.414 18.438 -2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.222 19.598 -3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.968 19.679 -1.823 1.00 0.00 H new ATOM 546 N SER A 39 14.177 16.765 -2.069 1.00 0.00 N ATOM 547 CA SER A 39 14.964 15.558 -2.297 1.00 0.00 C ATOM 548 C SER A 39 14.139 14.502 -3.025 1.00 0.00 C ATOM 549 O SER A 39 12.937 14.355 -2.804 1.00 0.00 O ATOM 550 CB SER A 39 15.472 14.997 -0.967 1.00 0.00 C ATOM 551 OG SER A 39 16.705 14.320 -1.138 1.00 0.00 O ATOM 0 H SER A 39 13.544 16.711 -1.271 1.00 0.00 H new ATOM 0 HA SER A 39 15.817 15.822 -2.922 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.595 15.808 -0.250 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.732 14.313 -0.551 1.00 0.00 H new ATOM 0 HG SER A 39 16.706 13.502 -0.599 1.00 0.00 H new ATOM 557 N PRO A 40 14.799 13.748 -3.916 1.00 0.00 N ATOM 558 CA PRO A 40 14.148 12.691 -4.696 1.00 0.00 C ATOM 559 C PRO A 40 13.749 11.497 -3.835 1.00 0.00 C ATOM 560 O PRO A 40 14.602 10.829 -3.251 1.00 0.00 O ATOM 561 CB PRO A 40 15.222 12.284 -5.709 1.00 0.00 C ATOM 562 CG PRO A 40 16.513 12.643 -5.056 1.00 0.00 C ATOM 563 CD PRO A 40 16.233 13.868 -4.231 1.00 0.00 C ATOM 0 HA PRO A 40 13.220 13.035 -5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.173 11.218 -5.931 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.096 12.812 -6.654 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.875 11.826 -4.431 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.285 12.841 -5.800 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.842 13.892 -3.327 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.448 14.782 -4.784 1.00 0.00 H new ATOM 571 N ILE A 41 12.448 11.236 -3.762 1.00 0.00 N ATOM 572 CA ILE A 41 11.937 10.122 -2.973 1.00 0.00 C ATOM 573 C ILE A 41 12.908 8.946 -2.988 1.00 0.00 C ATOM 574 O ILE A 41 13.505 8.634 -4.019 1.00 0.00 O ATOM 575 CB ILE A 41 10.566 9.648 -3.491 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.566 10.805 -3.483 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.052 8.491 -2.647 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.305 11.370 -2.104 1.00 0.00 C ATOM 0 H ILE A 41 11.729 11.780 -4.239 1.00 0.00 H new ATOM 0 HA ILE A 41 11.825 10.484 -1.951 1.00 0.00 H new ATOM 0 HB ILE A 41 10.682 9.300 -4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.939 11.601 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.624 10.463 -3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.082 8.167 -3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.757 7.661 -2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.948 8.814 -1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.587 12.187 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.902 10.588 -1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.238 11.743 -1.681 1.00 0.00 H new ATOM 590 N SER A 42 13.060 8.296 -1.839 1.00 0.00 N ATOM 591 CA SER A 42 13.960 7.155 -1.720 1.00 0.00 C ATOM 592 C SER A 42 13.176 5.866 -1.487 1.00 0.00 C ATOM 593 O SER A 42 13.533 4.807 -2.005 1.00 0.00 O ATOM 594 CB SER A 42 14.950 7.377 -0.575 1.00 0.00 C ATOM 595 OG SER A 42 15.997 6.423 -0.614 1.00 0.00 O ATOM 0 H SER A 42 12.572 8.540 -0.977 1.00 0.00 H new ATOM 0 HA SER A 42 14.512 7.060 -2.655 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.367 8.382 -0.640 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.428 7.310 0.379 1.00 0.00 H new ATOM 0 HG SER A 42 16.617 6.587 0.127 1.00 0.00 H new ATOM 601 N CYS A 43 12.107 5.965 -0.705 1.00 0.00 N ATOM 602 CA CYS A 43 11.272 4.809 -0.401 1.00 0.00 C ATOM 603 C CYS A 43 9.865 5.243 -0.005 1.00 0.00 C ATOM 604 O CYS A 43 9.680 6.281 0.632 1.00 0.00 O ATOM 605 CB CYS A 43 11.899 3.981 0.722 1.00 0.00 C ATOM 606 SG CYS A 43 13.387 3.079 0.232 1.00 0.00 S ATOM 0 H CYS A 43 11.798 6.834 -0.270 1.00 0.00 H new ATOM 0 HA CYS A 43 11.204 4.196 -1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 43 12.145 4.643 1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.160 3.269 1.090 1.00 0.00 H new ATOM 0 HG CYS A 43 13.819 3.539 -0.905 1.00 0.00 H new ATOM 612 N TYR A 44 8.875 4.443 -0.387 1.00 0.00 N ATOM 613 CA TYR A 44 7.483 4.747 -0.075 1.00 0.00 C ATOM 614 C TYR A 44 6.944 3.798 0.991 1.00 0.00 C ATOM 615 O TYR A 44 7.650 2.903 1.455 1.00 0.00 O ATOM 616 CB TYR A 44 6.624 4.655 -1.337 1.00 0.00 C ATOM 617 CG TYR A 44 6.904 5.750 -2.342 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.347 7.014 -2.193 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.726 5.520 -3.438 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.600 8.018 -3.109 1.00 0.00 C ATOM 621 CE2 TYR A 44 7.985 6.518 -4.358 1.00 0.00 C ATOM 622 CZ TYR A 44 7.419 7.765 -4.189 1.00 0.00 C ATOM 623 OH TYR A 44 7.674 8.762 -5.103 1.00 0.00 O ATOM 0 H TYR A 44 9.011 3.580 -0.913 1.00 0.00 H new ATOM 0 HA TYR A 44 7.438 5.764 0.314 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.791 3.688 -1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.572 4.694 -1.054 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.706 7.216 -1.348 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.170 4.545 -3.573 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.159 8.995 -2.979 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.627 6.323 -5.204 1.00 0.00 H new ATOM 0 HH TYR A 44 8.441 8.509 -5.658 1.00 0.00 H new ATOM 633 N SER A 45 5.688 4.001 1.374 1.00 0.00 N ATOM 634 CA SER A 45 5.053 3.167 2.387 1.00 0.00 C ATOM 635 C SER A 45 3.533 3.234 2.272 1.00 0.00 C ATOM 636 O SER A 45 2.949 4.316 2.231 1.00 0.00 O ATOM 637 CB SER A 45 5.489 3.606 3.786 1.00 0.00 C ATOM 638 OG SER A 45 4.711 2.972 4.786 1.00 0.00 O ATOM 0 H SER A 45 5.090 4.736 0.998 1.00 0.00 H new ATOM 0 HA SER A 45 5.367 2.136 2.222 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.542 3.366 3.934 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.392 4.688 3.877 1.00 0.00 H new ATOM 0 HG SER A 45 5.189 3.003 5.641 1.00 0.00 H new ATOM 644 N VAL A 46 2.898 2.067 2.221 1.00 0.00 N ATOM 645 CA VAL A 46 1.446 1.991 2.111 1.00 0.00 C ATOM 646 C VAL A 46 0.820 1.522 3.420 1.00 0.00 C ATOM 647 O VAL A 46 1.067 0.404 3.871 1.00 0.00 O ATOM 648 CB VAL A 46 1.018 1.038 0.979 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.495 0.885 0.954 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.533 1.539 -0.361 1.00 0.00 C ATOM 0 H VAL A 46 3.366 1.162 2.254 1.00 0.00 H new ATOM 0 HA VAL A 46 1.092 2.996 1.882 1.00 0.00 H new ATOM 0 HB VAL A 46 1.456 0.058 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.779 0.208 0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.835 0.478 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.957 1.859 0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.222 0.854 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.126 2.530 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.621 1.592 -0.336 1.00 0.00 H new ATOM 660 N GLU A 47 0.008 2.384 4.024 1.00 0.00 N ATOM 661 CA GLU A 47 -0.653 2.057 5.282 1.00 0.00 C ATOM 662 C GLU A 47 -2.148 1.840 5.069 1.00 0.00 C ATOM 663 O GLU A 47 -2.916 2.795 4.962 1.00 0.00 O ATOM 664 CB GLU A 47 -0.429 3.171 6.306 1.00 0.00 C ATOM 665 CG GLU A 47 -1.116 2.921 7.638 1.00 0.00 C ATOM 666 CD GLU A 47 -0.805 3.992 8.665 1.00 0.00 C ATOM 667 OE1 GLU A 47 -1.504 5.027 8.674 1.00 0.00 O ATOM 668 OE2 GLU A 47 0.138 3.795 9.461 1.00 0.00 O ATOM 0 H GLU A 47 -0.208 3.313 3.663 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.219 1.132 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.641 3.287 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.790 4.112 5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.194 2.873 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.806 1.950 8.026 1.00 0.00 H new ATOM 675 N MET A 48 -2.554 0.575 5.010 1.00 0.00 N ATOM 676 CA MET A 48 -3.957 0.232 4.812 1.00 0.00 C ATOM 677 C MET A 48 -4.659 0.020 6.149 1.00 0.00 C ATOM 678 O MET A 48 -4.052 -0.446 7.113 1.00 0.00 O ATOM 679 CB MET A 48 -4.079 -1.029 3.953 1.00 0.00 C ATOM 680 CG MET A 48 -5.498 -1.566 3.861 1.00 0.00 C ATOM 681 SD MET A 48 -5.550 -3.332 3.502 1.00 0.00 S ATOM 682 CE MET A 48 -5.227 -4.017 5.125 1.00 0.00 C ATOM 0 H MET A 48 -1.931 -0.228 5.096 1.00 0.00 H new ATOM 0 HA MET A 48 -4.439 1.063 4.297 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.716 -0.811 2.949 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.432 -1.803 4.365 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.016 -1.375 4.801 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.037 -1.025 3.084 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.508 -4.832 5.040 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.820 -3.241 5.773 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.156 -4.396 5.551 1.00 0.00 H new ATOM 692 N SER A 49 -5.942 0.365 6.200 1.00 0.00 N ATOM 693 CA SER A 49 -6.726 0.216 7.421 1.00 0.00 C ATOM 694 C SER A 49 -8.191 -0.057 7.096 1.00 0.00 C ATOM 695 O SER A 49 -8.765 0.516 6.169 1.00 0.00 O ATOM 696 CB SER A 49 -6.609 1.474 8.284 1.00 0.00 C ATOM 697 OG SER A 49 -7.607 2.420 7.943 1.00 0.00 O ATOM 0 H SER A 49 -6.460 0.749 5.410 1.00 0.00 H new ATOM 0 HA SER A 49 -6.330 -0.635 7.976 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.701 1.207 9.337 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.622 1.918 8.153 1.00 0.00 H new ATOM 0 HG SER A 49 -7.633 2.532 6.970 1.00 0.00 H new ATOM 703 N PRO A 50 -8.812 -0.954 7.876 1.00 0.00 N ATOM 704 CA PRO A 50 -10.219 -1.324 7.692 1.00 0.00 C ATOM 705 C PRO A 50 -11.170 -0.192 8.067 1.00 0.00 C ATOM 706 O PRO A 50 -11.364 0.102 9.247 1.00 0.00 O ATOM 707 CB PRO A 50 -10.400 -2.511 8.641 1.00 0.00 C ATOM 708 CG PRO A 50 -9.359 -2.321 9.689 1.00 0.00 C ATOM 709 CD PRO A 50 -8.190 -1.675 8.999 1.00 0.00 C ATOM 0 HA PRO A 50 -10.448 -1.554 6.651 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.400 -2.522 9.074 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.268 -3.459 8.119 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.730 -1.693 10.498 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.072 -3.275 10.132 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.655 -0.997 9.664 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.469 -2.415 8.651 1.00 0.00 H new ATOM 717 N ILE A 51 -11.760 0.437 7.057 1.00 0.00 N ATOM 718 CA ILE A 51 -12.692 1.535 7.282 1.00 0.00 C ATOM 719 C ILE A 51 -13.522 1.303 8.540 1.00 0.00 C ATOM 720 O ILE A 51 -13.770 2.229 9.312 1.00 0.00 O ATOM 721 CB ILE A 51 -13.640 1.724 6.083 1.00 0.00 C ATOM 722 CG1 ILE A 51 -14.912 2.452 6.521 1.00 0.00 C ATOM 723 CG2 ILE A 51 -13.981 0.378 5.461 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.611 3.178 5.392 1.00 0.00 C ATOM 0 H ILE A 51 -11.610 0.205 6.075 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.092 2.437 7.406 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.136 2.332 5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.601 1.731 6.960 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.660 3.169 7.303 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.652 0.528 4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.067 -0.106 5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.469 -0.253 6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.504 3.671 5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.939 3.923 4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.894 2.463 4.620 1.00 0.00 H new ATOM 736 N GLU A 52 -13.947 0.059 8.741 1.00 0.00 N ATOM 737 CA GLU A 52 -14.749 -0.295 9.906 1.00 0.00 C ATOM 738 C GLU A 52 -14.055 0.137 11.195 1.00 0.00 C ATOM 739 O GLU A 52 -14.673 0.736 12.076 1.00 0.00 O ATOM 740 CB GLU A 52 -15.009 -1.802 9.935 1.00 0.00 C ATOM 741 CG GLU A 52 -13.767 -2.640 9.686 1.00 0.00 C ATOM 742 CD GLU A 52 -14.049 -4.129 9.726 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.486 -4.622 10.786 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.832 -4.801 8.696 1.00 0.00 O ATOM 0 H GLU A 52 -13.749 -0.720 8.112 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.702 0.229 9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.430 -2.071 10.904 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.759 -2.047 9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.347 -2.380 8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.013 -2.397 10.435 1.00 0.00 H new ATOM 751 N LYS A 53 -12.767 -0.172 11.298 1.00 0.00 N ATOM 752 CA LYS A 53 -11.987 0.184 12.478 1.00 0.00 C ATOM 753 C LYS A 53 -10.670 0.845 12.081 1.00 0.00 C ATOM 754 O LYS A 53 -9.982 0.381 11.172 1.00 0.00 O ATOM 755 CB LYS A 53 -11.709 -1.060 13.325 1.00 0.00 C ATOM 756 CG LYS A 53 -11.000 -2.168 12.566 1.00 0.00 C ATOM 757 CD LYS A 53 -11.275 -3.530 13.181 1.00 0.00 C ATOM 758 CE LYS A 53 -11.134 -4.644 12.154 1.00 0.00 C ATOM 759 NZ LYS A 53 -9.723 -5.099 12.019 1.00 0.00 N ATOM 0 H LYS A 53 -12.241 -0.668 10.579 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.568 0.895 13.066 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.103 -0.775 14.185 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.653 -1.443 13.713 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.327 -2.165 11.526 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.926 -1.979 12.563 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.584 -3.704 14.006 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.281 -3.545 13.600 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.761 -5.487 12.444 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.497 -4.295 11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.602 -5.591 11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.088 -4.276 12.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.492 -5.749 12.798 1.00 0.00 H new ATOM 773 N ASP A 54 -10.327 1.928 12.768 1.00 0.00 N ATOM 774 CA ASP A 54 -9.092 2.651 12.489 1.00 0.00 C ATOM 775 C ASP A 54 -7.877 1.850 12.946 1.00 0.00 C ATOM 776 O ASP A 54 -7.175 2.246 13.876 1.00 0.00 O ATOM 777 CB ASP A 54 -9.107 4.016 13.179 1.00 0.00 C ATOM 778 CG ASP A 54 -8.017 4.936 12.668 1.00 0.00 C ATOM 779 OD1 ASP A 54 -8.124 5.398 11.513 1.00 0.00 O ATOM 780 OD2 ASP A 54 -7.055 5.194 13.422 1.00 0.00 O ATOM 0 H ASP A 54 -10.887 2.325 13.523 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.023 2.798 11.411 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.078 4.487 13.024 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.987 3.878 14.254 1.00 0.00 H new ATOM 785 N GLU A 55 -7.637 0.721 12.287 1.00 0.00 N ATOM 786 CA GLU A 55 -6.508 -0.137 12.628 1.00 0.00 C ATOM 787 C GLU A 55 -5.504 -0.197 11.481 1.00 0.00 C ATOM 788 O GLU A 55 -5.341 -1.222 10.818 1.00 0.00 O ATOM 789 CB GLU A 55 -6.995 -1.547 12.969 1.00 0.00 C ATOM 790 CG GLU A 55 -6.123 -2.263 13.986 1.00 0.00 C ATOM 791 CD GLU A 55 -6.592 -2.046 15.412 1.00 0.00 C ATOM 792 OE1 GLU A 55 -6.867 -0.884 15.776 1.00 0.00 O ATOM 793 OE2 GLU A 55 -6.683 -3.040 16.164 1.00 0.00 O ATOM 0 H GLU A 55 -8.209 0.379 11.514 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.012 0.289 13.500 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.013 -1.487 13.354 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.034 -2.140 12.055 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.118 -3.331 13.767 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.095 -1.913 13.888 1.00 0.00 H new ATOM 800 N PRO A 56 -4.814 0.927 11.239 1.00 0.00 N ATOM 801 CA PRO A 56 -3.815 1.029 10.172 1.00 0.00 C ATOM 802 C PRO A 56 -2.564 0.209 10.470 1.00 0.00 C ATOM 803 O PRO A 56 -2.278 -0.108 11.625 1.00 0.00 O ATOM 804 CB PRO A 56 -3.480 2.522 10.140 1.00 0.00 C ATOM 805 CG PRO A 56 -3.793 3.010 11.513 1.00 0.00 C ATOM 806 CD PRO A 56 -4.957 2.186 11.990 1.00 0.00 C ATOM 0 HA PRO A 56 -4.190 0.642 9.224 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.432 2.687 9.890 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.073 3.045 9.389 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.934 2.892 12.174 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.044 4.071 11.502 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.917 2.019 13.066 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.908 2.674 11.779 1.00 0.00 H new ATOM 814 N ARG A 57 -1.821 -0.130 9.421 1.00 0.00 N ATOM 815 CA ARG A 57 -0.600 -0.914 9.571 1.00 0.00 C ATOM 816 C ARG A 57 0.197 -0.933 8.270 1.00 0.00 C ATOM 817 O ARG A 57 -0.368 -0.812 7.184 1.00 0.00 O ATOM 818 CB ARG A 57 -0.937 -2.344 9.997 1.00 0.00 C ATOM 819 CG ARG A 57 -1.337 -3.246 8.841 1.00 0.00 C ATOM 820 CD ARG A 57 -2.718 -2.893 8.312 1.00 0.00 C ATOM 821 NE ARG A 57 -3.781 -3.479 9.125 1.00 0.00 N ATOM 822 CZ ARG A 57 -4.148 -4.753 9.048 1.00 0.00 C ATOM 823 NH1 ARG A 57 -3.540 -5.571 8.200 1.00 0.00 N ATOM 824 NH2 ARG A 57 -5.124 -5.212 9.821 1.00 0.00 N ATOM 0 H ARG A 57 -2.043 0.126 8.459 1.00 0.00 H new ATOM 0 HA ARG A 57 0.010 -0.446 10.343 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.073 -2.777 10.502 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.750 -2.316 10.723 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.605 -3.157 8.038 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.326 -4.286 9.168 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.832 -1.809 8.292 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.813 -3.243 7.284 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.268 -2.876 9.788 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.789 -5.222 7.605 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.824 -6.549 8.143 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.593 -4.586 10.475 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.405 -6.191 9.761 1.00 0.00 H new ATOM 838 N GLU A 58 1.512 -1.085 8.390 1.00 0.00 N ATOM 839 CA GLU A 58 2.386 -1.118 7.223 1.00 0.00 C ATOM 840 C GLU A 58 2.197 -2.414 6.439 1.00 0.00 C ATOM 841 O GLU A 58 2.664 -3.476 6.851 1.00 0.00 O ATOM 842 CB GLU A 58 3.848 -0.976 7.650 1.00 0.00 C ATOM 843 CG GLU A 58 4.839 -1.345 6.558 1.00 0.00 C ATOM 844 CD GLU A 58 6.259 -1.467 7.076 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.722 -0.532 7.763 1.00 0.00 O ATOM 846 OE2 GLU A 58 6.907 -2.497 6.795 1.00 0.00 O ATOM 0 H GLU A 58 1.995 -1.187 9.282 1.00 0.00 H new ATOM 0 HA GLU A 58 2.121 -0.281 6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.029 0.053 7.961 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.027 -1.608 8.520 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.539 -2.290 6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.806 -0.590 5.773 1.00 0.00 H new ATOM 853 N VAL A 59 1.508 -2.318 5.306 1.00 0.00 N ATOM 854 CA VAL A 59 1.257 -3.480 4.463 1.00 0.00 C ATOM 855 C VAL A 59 2.284 -3.578 3.341 1.00 0.00 C ATOM 856 O VAL A 59 2.370 -4.593 2.650 1.00 0.00 O ATOM 857 CB VAL A 59 -0.155 -3.434 3.849 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.213 -3.610 4.927 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.364 -2.130 3.093 1.00 0.00 C ATOM 0 H VAL A 59 1.114 -1.447 4.951 1.00 0.00 H new ATOM 0 HA VAL A 59 1.338 -4.358 5.103 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.252 -4.258 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.204 -3.575 4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.074 -4.572 5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.121 -2.810 5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.367 -2.114 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.248 -1.290 3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.373 -2.051 2.293 1.00 0.00 H new ATOM 869 N TYR A 60 3.063 -2.516 3.165 1.00 0.00 N ATOM 870 CA TYR A 60 4.084 -2.480 2.126 1.00 0.00 C ATOM 871 C TYR A 60 5.095 -1.369 2.392 1.00 0.00 C ATOM 872 O TYR A 60 4.770 -0.356 3.012 1.00 0.00 O ATOM 873 CB TYR A 60 3.439 -2.280 0.754 1.00 0.00 C ATOM 874 CG TYR A 60 4.432 -2.263 -0.386 1.00 0.00 C ATOM 875 CD1 TYR A 60 5.109 -3.417 -0.760 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.693 -1.093 -1.089 1.00 0.00 C ATOM 877 CE1 TYR A 60 6.018 -3.406 -1.801 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.599 -1.073 -2.131 1.00 0.00 C ATOM 879 CZ TYR A 60 6.259 -2.232 -2.484 1.00 0.00 C ATOM 880 OH TYR A 60 7.163 -2.216 -3.521 1.00 0.00 O ATOM 0 H TYR A 60 3.006 -1.668 3.729 1.00 0.00 H new ATOM 0 HA TYR A 60 4.610 -3.435 2.137 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.716 -3.077 0.582 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.885 -1.341 0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.922 -4.338 -0.228 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.178 -0.184 -0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.537 -4.312 -2.078 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.790 -0.155 -2.667 1.00 0.00 H new ATOM 0 HH TYR A 60 7.181 -3.095 -3.953 1.00 0.00 H new ATOM 890 N GLN A 61 6.320 -1.566 1.918 1.00 0.00 N ATOM 891 CA GLN A 61 7.379 -0.580 2.104 1.00 0.00 C ATOM 892 C GLN A 61 8.581 -0.899 1.222 1.00 0.00 C ATOM 893 O GLN A 61 9.286 -1.882 1.448 1.00 0.00 O ATOM 894 CB GLN A 61 7.806 -0.532 3.572 1.00 0.00 C ATOM 895 CG GLN A 61 8.685 0.662 3.911 1.00 0.00 C ATOM 896 CD GLN A 61 8.971 0.773 5.395 1.00 0.00 C ATOM 897 OE1 GLN A 61 9.840 0.080 5.925 1.00 0.00 O ATOM 898 NE2 GLN A 61 8.240 1.649 6.075 1.00 0.00 N ATOM 0 H GLN A 61 6.605 -2.399 1.402 1.00 0.00 H new ATOM 0 HA GLN A 61 6.989 0.396 1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.916 -0.507 4.200 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.343 -1.449 3.816 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.627 0.581 3.368 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.198 1.575 3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.530 2.203 5.595 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.388 1.768 7.077 1.00 0.00 H new ATOM 907 N GLY A 62 8.809 -0.062 0.215 1.00 0.00 N ATOM 908 CA GLY A 62 9.927 -0.272 -0.686 1.00 0.00 C ATOM 909 C GLY A 62 10.260 0.965 -1.497 1.00 0.00 C ATOM 910 O GLY A 62 10.269 2.077 -0.969 1.00 0.00 O ATOM 0 H GLY A 62 8.239 0.758 0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.803 -0.571 -0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.695 -1.094 -1.363 1.00 0.00 H new ATOM 914 N SER A 63 10.535 0.772 -2.783 1.00 0.00 N ATOM 915 CA SER A 63 10.875 1.881 -3.666 1.00 0.00 C ATOM 916 C SER A 63 9.892 1.969 -4.830 1.00 0.00 C ATOM 917 O SER A 63 9.851 2.969 -5.546 1.00 0.00 O ATOM 918 CB SER A 63 12.300 1.718 -4.199 1.00 0.00 C ATOM 919 OG SER A 63 12.428 0.527 -4.957 1.00 0.00 O ATOM 0 H SER A 63 10.529 -0.142 -3.236 1.00 0.00 H new ATOM 0 HA SER A 63 10.813 2.804 -3.090 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.560 2.577 -4.818 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.003 1.700 -3.366 1.00 0.00 H new ATOM 0 HG SER A 63 13.347 0.447 -5.288 1.00 0.00 H new ATOM 925 N GLU A 64 9.103 0.915 -5.011 1.00 0.00 N ATOM 926 CA GLU A 64 8.121 0.873 -6.089 1.00 0.00 C ATOM 927 C GLU A 64 6.873 1.670 -5.719 1.00 0.00 C ATOM 928 O GLU A 64 6.741 2.150 -4.593 1.00 0.00 O ATOM 929 CB GLU A 64 7.739 -0.575 -6.405 1.00 0.00 C ATOM 930 CG GLU A 64 8.624 -1.222 -7.457 1.00 0.00 C ATOM 931 CD GLU A 64 7.907 -2.307 -8.236 1.00 0.00 C ATOM 932 OE1 GLU A 64 7.222 -3.137 -7.602 1.00 0.00 O ATOM 933 OE2 GLU A 64 8.029 -2.326 -9.478 1.00 0.00 O ATOM 0 H GLU A 64 9.124 0.080 -4.426 1.00 0.00 H new ATOM 0 HA GLU A 64 8.571 1.324 -6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.789 -1.163 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.704 -0.603 -6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.978 -0.457 -8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.504 -1.648 -6.974 1.00 0.00 H new ATOM 940 N VAL A 65 5.961 1.807 -6.675 1.00 0.00 N ATOM 941 CA VAL A 65 4.723 2.546 -6.452 1.00 0.00 C ATOM 942 C VAL A 65 3.505 1.651 -6.655 1.00 0.00 C ATOM 943 O VAL A 65 2.422 2.129 -6.991 1.00 0.00 O ATOM 944 CB VAL A 65 4.617 3.761 -7.391 1.00 0.00 C ATOM 945 CG1 VAL A 65 5.834 4.662 -7.239 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.457 3.306 -8.834 1.00 0.00 C ATOM 0 H VAL A 65 6.055 1.416 -7.612 1.00 0.00 H new ATOM 0 HA VAL A 65 4.745 2.896 -5.420 1.00 0.00 H new ATOM 0 HB VAL A 65 3.733 4.336 -7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.741 5.515 -7.911 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.899 5.015 -6.210 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.735 4.101 -7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.384 4.178 -9.484 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.321 2.708 -9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.552 2.706 -8.928 1.00 0.00 H new ATOM 956 N GLU A 66 3.692 0.351 -6.450 1.00 0.00 N ATOM 957 CA GLU A 66 2.607 -0.610 -6.612 1.00 0.00 C ATOM 958 C GLU A 66 2.888 -1.886 -5.823 1.00 0.00 C ATOM 959 O GLU A 66 3.905 -2.547 -6.034 1.00 0.00 O ATOM 960 CB GLU A 66 2.410 -0.945 -8.092 1.00 0.00 C ATOM 961 CG GLU A 66 3.693 -1.344 -8.802 1.00 0.00 C ATOM 962 CD GLU A 66 3.454 -1.790 -10.231 1.00 0.00 C ATOM 963 OE1 GLU A 66 2.699 -2.764 -10.431 1.00 0.00 O ATOM 964 OE2 GLU A 66 4.023 -1.164 -11.150 1.00 0.00 O ATOM 0 H GLU A 66 4.583 -0.060 -6.172 1.00 0.00 H new ATOM 0 HA GLU A 66 1.694 -0.158 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.689 -1.758 -8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.979 -0.081 -8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.383 -0.500 -8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.174 -2.151 -8.249 1.00 0.00 H new ATOM 971 N CYS A 67 1.981 -2.224 -4.914 1.00 0.00 N ATOM 972 CA CYS A 67 2.131 -3.419 -4.092 1.00 0.00 C ATOM 973 C CYS A 67 0.837 -4.225 -4.063 1.00 0.00 C ATOM 974 O CYS A 67 -0.186 -3.799 -4.601 1.00 0.00 O ATOM 975 CB CYS A 67 2.540 -3.036 -2.668 1.00 0.00 C ATOM 976 SG CYS A 67 1.267 -2.139 -1.751 1.00 0.00 S ATOM 0 H CYS A 67 1.134 -1.687 -4.727 1.00 0.00 H new ATOM 0 HA CYS A 67 2.913 -4.037 -4.533 1.00 0.00 H new ATOM 0 HB2 CYS A 67 2.798 -3.942 -2.119 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.440 -2.423 -2.712 1.00 0.00 H new ATOM 0 HG CYS A 67 1.117 -0.954 -2.263 1.00 0.00 H new ATOM 982 N THR A 68 0.887 -5.394 -3.432 1.00 0.00 N ATOM 983 CA THR A 68 -0.280 -6.262 -3.335 1.00 0.00 C ATOM 984 C THR A 68 -0.537 -6.678 -1.891 1.00 0.00 C ATOM 985 O THR A 68 0.237 -7.436 -1.306 1.00 0.00 O ATOM 986 CB THR A 68 -0.114 -7.525 -4.200 1.00 0.00 C ATOM 987 OG1 THR A 68 -0.168 -7.179 -5.588 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.199 -8.544 -3.884 1.00 0.00 C ATOM 0 H THR A 68 1.724 -5.762 -2.980 1.00 0.00 H new ATOM 0 HA THR A 68 -1.132 -5.689 -3.702 1.00 0.00 H new ATOM 0 HB THR A 68 0.856 -7.968 -3.974 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.060 -7.988 -6.131 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.061 -9.428 -4.507 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.137 -8.828 -2.833 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.177 -8.108 -4.085 1.00 0.00 H new ATOM 996 N VAL A 69 -1.629 -6.179 -1.321 1.00 0.00 N ATOM 997 CA VAL A 69 -1.989 -6.501 0.054 1.00 0.00 C ATOM 998 C VAL A 69 -2.692 -7.851 0.136 1.00 0.00 C ATOM 999 O VAL A 69 -3.251 -8.333 -0.849 1.00 0.00 O ATOM 1000 CB VAL A 69 -2.904 -5.421 0.662 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -3.068 -5.641 2.159 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.350 -4.033 0.377 1.00 0.00 C ATOM 0 H VAL A 69 -2.280 -5.550 -1.791 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.060 -6.543 0.623 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.887 -5.498 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.717 -4.869 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.512 -6.621 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.093 -5.591 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.008 -3.282 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.355 -3.942 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.289 -3.880 -0.700 1.00 0.00 H new ATOM 1012 N SER A 70 -2.662 -8.457 1.319 1.00 0.00 N ATOM 1013 CA SER A 70 -3.293 -9.755 1.530 1.00 0.00 C ATOM 1014 C SER A 70 -3.796 -9.887 2.964 1.00 0.00 C ATOM 1015 O SER A 70 -3.715 -8.945 3.752 1.00 0.00 O ATOM 1016 CB SER A 70 -2.308 -10.882 1.216 1.00 0.00 C ATOM 1017 OG SER A 70 -1.477 -11.159 2.331 1.00 0.00 O ATOM 0 H SER A 70 -2.207 -8.070 2.146 1.00 0.00 H new ATOM 0 HA SER A 70 -4.146 -9.831 0.856 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.857 -11.781 0.935 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.693 -10.604 0.360 1.00 0.00 H new ATOM 0 HG SER A 70 -0.858 -11.884 2.105 1.00 0.00 H new ATOM 1023 N SER A 71 -4.315 -11.065 3.296 1.00 0.00 N ATOM 1024 CA SER A 71 -4.835 -11.322 4.634 1.00 0.00 C ATOM 1025 C SER A 71 -6.037 -10.430 4.930 1.00 0.00 C ATOM 1026 O SER A 71 -6.288 -10.067 6.080 1.00 0.00 O ATOM 1027 CB SER A 71 -3.744 -11.090 5.681 1.00 0.00 C ATOM 1028 OG SER A 71 -3.021 -12.281 5.936 1.00 0.00 O ATOM 0 H SER A 71 -4.387 -11.857 2.657 1.00 0.00 H new ATOM 0 HA SER A 71 -5.157 -12.363 4.679 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.062 -10.314 5.334 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.194 -10.729 6.606 1.00 0.00 H new ATOM 0 HG SER A 71 -2.329 -12.106 6.607 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.778 -10.080 3.884 1.00 0.00 N ATOM 1035 CA LEU A 72 -7.955 -9.231 4.030 1.00 0.00 C ATOM 1036 C LEU A 72 -9.235 -10.059 3.974 1.00 0.00 C ATOM 1037 O LEU A 72 -9.198 -11.260 3.702 1.00 0.00 O ATOM 1038 CB LEU A 72 -7.977 -8.164 2.934 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.613 -7.658 2.462 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.756 -6.855 1.179 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -5.950 -6.821 3.546 1.00 0.00 C ATOM 0 H LEU A 72 -6.584 -10.371 2.926 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.902 -8.743 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.510 -8.567 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.553 -7.312 3.296 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.978 -8.520 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.775 -6.503 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.187 -7.485 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.408 -6.000 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.981 -6.470 3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.582 -5.965 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.812 -7.428 4.441 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.365 -9.410 4.231 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.657 -10.086 4.208 1.00 0.00 C ATOM 1055 C LEU A 73 -12.455 -9.693 2.969 1.00 0.00 C ATOM 1056 O LEU A 73 -12.524 -8.524 2.590 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.454 -9.749 5.470 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.841 -10.209 6.793 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.688 -9.738 7.965 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.692 -11.723 6.814 1.00 0.00 C ATOM 0 H LEU A 73 -10.413 -8.417 4.458 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.477 -11.160 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.590 -8.668 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.446 -10.192 5.378 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.850 -9.766 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.237 -10.074 8.898 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.743 -8.649 7.960 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.692 -10.152 7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.254 -12.032 7.763 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.672 -12.187 6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.043 -12.036 5.996 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.076 -10.692 2.323 1.00 0.00 N ATOM 1073 CA PRO A 74 -13.883 -10.474 1.119 1.00 0.00 C ATOM 1074 C PRO A 74 -15.180 -9.730 1.417 1.00 0.00 C ATOM 1075 O PRO A 74 -15.685 -9.766 2.538 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.182 -11.894 0.631 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.092 -12.741 1.853 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.038 -12.109 2.719 1.00 0.00 C ATOM 0 HA PRO A 74 -13.363 -9.857 0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.171 -11.957 0.178 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.464 -12.212 -0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.050 -12.781 2.371 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.824 -13.766 1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.259 -12.236 3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.056 -12.549 2.543 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.716 -9.055 0.404 1.00 0.00 N ATOM 1087 CA GLY A 75 -16.950 -8.312 0.578 1.00 0.00 C ATOM 1088 C GLY A 75 -16.843 -7.255 1.660 1.00 0.00 C ATOM 1089 O GLY A 75 -17.844 -6.872 2.266 1.00 0.00 O ATOM 0 H GLY A 75 -15.317 -9.010 -0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.220 -7.836 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.755 -9.003 0.828 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.625 -6.784 1.906 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.389 -5.766 2.922 1.00 0.00 C ATOM 1095 C LYS A 76 -14.550 -4.622 2.362 1.00 0.00 C ATOM 1096 O LYS A 76 -13.696 -4.828 1.499 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.687 -6.380 4.136 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.569 -7.324 4.935 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.508 -6.564 5.857 1.00 0.00 C ATOM 1100 CE LYS A 76 -15.867 -6.301 7.211 1.00 0.00 C ATOM 1101 NZ LYS A 76 -15.970 -7.482 8.112 1.00 0.00 N ATOM 0 H LYS A 76 -14.786 -7.092 1.415 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.355 -5.367 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.802 -6.920 3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.341 -5.579 4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.151 -7.945 4.253 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.945 -7.996 5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.786 -5.617 5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.427 -7.134 5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.818 -6.041 7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.348 -5.443 7.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.522 -7.263 9.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.972 -7.715 8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.489 -8.294 7.676 1.00 0.00 H new ATOM 1115 N THR A 77 -14.797 -3.414 2.859 1.00 0.00 N ATOM 1116 CA THR A 77 -14.064 -2.237 2.408 1.00 0.00 C ATOM 1117 C THR A 77 -12.850 -1.974 3.292 1.00 0.00 C ATOM 1118 O THR A 77 -12.822 -2.366 4.459 1.00 0.00 O ATOM 1119 CB THR A 77 -14.961 -0.985 2.402 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.090 -1.196 1.546 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.184 0.235 1.932 1.00 0.00 C ATOM 0 H THR A 77 -15.499 -3.225 3.574 1.00 0.00 H new ATOM 0 HA THR A 77 -13.732 -2.442 1.390 1.00 0.00 H new ATOM 0 HB THR A 77 -15.305 -0.807 3.421 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.656 -0.396 1.549 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.838 1.107 1.936 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.342 0.410 2.601 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.814 0.064 0.921 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.849 -1.307 2.729 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.630 -0.992 3.466 1.00 0.00 C ATOM 1131 C TYR A 78 -10.023 0.320 2.980 1.00 0.00 C ATOM 1132 O TYR A 78 -9.828 0.520 1.781 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.613 -2.124 3.317 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.931 -3.339 4.159 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -10.919 -4.236 3.775 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.241 -3.590 5.340 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.214 -5.347 4.542 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.528 -4.699 6.112 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.515 -5.574 5.709 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.804 -6.680 6.476 1.00 0.00 O ATOM 0 H TYR A 78 -11.857 -0.974 1.765 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.890 -0.882 4.519 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.564 -2.421 2.269 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.625 -1.752 3.590 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.467 -4.062 2.861 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.468 -2.907 5.659 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.987 -6.033 4.229 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.982 -4.880 7.026 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.221 -6.693 7.264 1.00 0.00 H new ATOM 1150 N SER A 79 -9.724 1.211 3.920 1.00 0.00 N ATOM 1151 CA SER A 79 -9.142 2.506 3.589 1.00 0.00 C ATOM 1152 C SER A 79 -7.628 2.397 3.436 1.00 0.00 C ATOM 1153 O SER A 79 -6.912 2.130 4.402 1.00 0.00 O ATOM 1154 CB SER A 79 -9.485 3.534 4.668 1.00 0.00 C ATOM 1155 OG SER A 79 -8.532 3.509 5.717 1.00 0.00 O ATOM 0 H SER A 79 -9.875 1.059 4.917 1.00 0.00 H new ATOM 0 HA SER A 79 -9.563 2.834 2.639 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.520 4.530 4.228 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.477 3.328 5.069 1.00 0.00 H new ATOM 0 HG SER A 79 -8.773 4.176 6.394 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.146 2.607 2.216 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.717 2.532 1.935 1.00 0.00 C ATOM 1163 C PHE A 80 -5.100 3.926 1.874 1.00 0.00 C ATOM 1164 O PHE A 80 -5.766 4.895 1.509 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.473 1.796 0.615 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.834 0.339 0.666 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.153 -0.066 0.531 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.856 -0.625 0.847 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.488 -1.406 0.578 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.186 -1.967 0.894 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.503 -2.358 0.758 1.00 0.00 C ATOM 0 H PHE A 80 -7.724 2.831 1.406 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.242 1.979 2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.052 2.278 -0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.422 1.892 0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.927 0.673 0.388 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.824 -0.325 0.953 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.519 -1.709 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.414 -2.709 1.037 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.763 -3.406 0.792 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.825 4.019 2.234 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.118 5.294 2.223 1.00 0.00 C ATOM 1183 C ARG A 81 -1.742 5.148 1.579 1.00 0.00 C ATOM 1184 O ARG A 81 -1.333 4.047 1.207 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.972 5.834 3.647 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.152 6.678 4.102 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.379 6.555 5.601 1.00 0.00 C ATOM 1188 NE ARG A 81 -3.505 7.445 6.361 1.00 0.00 N ATOM 1189 CZ ARG A 81 -3.746 7.817 7.613 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -4.827 7.378 8.243 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -2.903 8.629 8.239 1.00 0.00 N ATOM 0 H ARG A 81 -3.260 3.226 2.537 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.703 5.999 1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.849 4.996 4.333 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.063 6.432 3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.975 7.722 3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.051 6.366 3.570 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.419 6.786 5.830 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.205 5.525 5.911 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.664 7.800 5.906 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.477 6.753 7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.009 7.666 9.205 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.069 8.968 7.759 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.089 8.914 9.201 1.00 0.00 H new ATOM 1205 N LEU A 82 -1.033 6.264 1.451 1.00 0.00 N ATOM 1206 CA LEU A 82 0.297 6.261 0.852 1.00 0.00 C ATOM 1207 C LEU A 82 1.141 7.410 1.394 1.00 0.00 C ATOM 1208 O LEU A 82 0.653 8.529 1.556 1.00 0.00 O ATOM 1209 CB LEU A 82 0.193 6.363 -0.670 1.00 0.00 C ATOM 1210 CG LEU A 82 1.493 6.671 -1.413 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.396 5.448 -1.439 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.199 7.150 -2.827 1.00 0.00 C ATOM 0 H LEU A 82 -1.357 7.183 1.754 1.00 0.00 H new ATOM 0 HA LEU A 82 0.784 5.322 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.205 5.422 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.533 7.138 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 82 2.012 7.469 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.316 5.687 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.635 5.150 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.885 4.629 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.136 7.364 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.657 6.374 -3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.592 8.055 -2.786 1.00 0.00 H new ATOM 1224 N ARG A 83 2.410 7.127 1.670 1.00 0.00 N ATOM 1225 CA ARG A 83 3.322 8.137 2.192 1.00 0.00 C ATOM 1226 C ARG A 83 4.732 7.931 1.647 1.00 0.00 C ATOM 1227 O ARG A 83 5.201 6.800 1.524 1.00 0.00 O ATOM 1228 CB ARG A 83 3.343 8.094 3.721 1.00 0.00 C ATOM 1229 CG ARG A 83 4.140 6.930 4.286 1.00 0.00 C ATOM 1230 CD ARG A 83 4.334 7.065 5.789 1.00 0.00 C ATOM 1231 NE ARG A 83 4.705 5.796 6.409 1.00 0.00 N ATOM 1232 CZ ARG A 83 4.970 5.660 7.704 1.00 0.00 C ATOM 1233 NH1 ARG A 83 4.905 6.710 8.510 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.300 4.472 8.194 1.00 0.00 N ATOM 0 H ARG A 83 2.830 6.206 1.541 1.00 0.00 H new ATOM 0 HA ARG A 83 2.965 9.115 1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.763 9.027 4.097 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.319 8.034 4.089 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.625 5.995 4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.112 6.881 3.795 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.108 7.806 5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.414 7.434 6.242 1.00 0.00 H new ATOM 0 HE ARG A 83 4.764 4.969 5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.651 7.625 8.137 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.109 6.603 9.504 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.351 3.662 7.576 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.503 4.369 9.188 1.00 0.00 H new ATOM 1248 N ALA A 84 5.402 9.031 1.322 1.00 0.00 N ATOM 1249 CA ALA A 84 6.758 8.971 0.791 1.00 0.00 C ATOM 1250 C ALA A 84 7.778 9.395 1.843 1.00 0.00 C ATOM 1251 O ALA A 84 7.457 10.138 2.769 1.00 0.00 O ATOM 1252 CB ALA A 84 6.880 9.846 -0.448 1.00 0.00 C ATOM 0 H ALA A 84 5.028 9.975 1.417 1.00 0.00 H new ATOM 0 HA ALA A 84 6.968 7.938 0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.898 9.791 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.184 9.496 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.645 10.878 -0.189 1.00 0.00 H new ATOM 1258 N ALA A 85 9.009 8.916 1.693 1.00 0.00 N ATOM 1259 CA ALA A 85 10.076 9.247 2.629 1.00 0.00 C ATOM 1260 C ALA A 85 11.353 9.636 1.891 1.00 0.00 C ATOM 1261 O ALA A 85 11.654 9.097 0.827 1.00 0.00 O ATOM 1262 CB ALA A 85 10.340 8.075 3.563 1.00 0.00 C ATOM 0 H ALA A 85 9.291 8.298 0.932 1.00 0.00 H new ATOM 0 HA ALA A 85 9.754 10.104 3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.139 8.336 4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.434 7.845 4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.636 7.204 2.979 1.00 0.00 H new ATOM 1268 N ASN A 86 12.099 10.574 2.464 1.00 0.00 N ATOM 1269 CA ASN A 86 13.344 11.036 1.859 1.00 0.00 C ATOM 1270 C ASN A 86 14.437 11.186 2.912 1.00 0.00 C ATOM 1271 O ASN A 86 14.231 10.879 4.086 1.00 0.00 O ATOM 1272 CB ASN A 86 13.122 12.370 1.143 1.00 0.00 C ATOM 1273 CG ASN A 86 12.455 13.400 2.034 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.361 13.221 3.248 1.00 0.00 O ATOM 1275 ND2 ASN A 86 11.986 14.487 1.432 1.00 0.00 N ATOM 0 H ASN A 86 11.864 11.029 3.346 1.00 0.00 H new ATOM 0 HA ASN A 86 13.665 10.290 1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.080 12.758 0.798 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.507 12.206 0.258 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.526 15.215 1.979 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.086 14.594 0.423 1.00 0.00 H new ATOM 1282 N LYS A 87 15.602 11.662 2.484 1.00 0.00 N ATOM 1283 CA LYS A 87 16.729 11.856 3.389 1.00 0.00 C ATOM 1284 C LYS A 87 16.285 12.557 4.669 1.00 0.00 C ATOM 1285 O LYS A 87 16.962 12.484 5.694 1.00 0.00 O ATOM 1286 CB LYS A 87 17.826 12.672 2.702 1.00 0.00 C ATOM 1287 CG LYS A 87 17.396 14.082 2.335 1.00 0.00 C ATOM 1288 CD LYS A 87 18.587 14.950 1.967 1.00 0.00 C ATOM 1289 CE LYS A 87 18.146 16.308 1.443 1.00 0.00 C ATOM 1290 NZ LYS A 87 19.156 17.366 1.723 1.00 0.00 N ATOM 0 H LYS A 87 15.790 11.921 1.515 1.00 0.00 H new ATOM 0 HA LYS A 87 17.125 10.875 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.693 12.725 3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.143 12.151 1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.699 14.045 1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.863 14.531 3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.224 15.085 2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 87 19.187 14.444 1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 87 17.975 16.244 0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.196 16.583 1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 18.818 18.276 1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.301 17.445 2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 20.056 17.117 1.265 1.00 0.00 H new ATOM 1304 N MET A 88 15.143 13.234 4.602 1.00 0.00 N ATOM 1305 CA MET A 88 14.608 13.945 5.757 1.00 0.00 C ATOM 1306 C MET A 88 13.784 13.011 6.637 1.00 0.00 C ATOM 1307 O MET A 88 14.056 12.864 7.828 1.00 0.00 O ATOM 1308 CB MET A 88 13.749 15.127 5.302 1.00 0.00 C ATOM 1309 CG MET A 88 14.502 16.132 4.446 1.00 0.00 C ATOM 1310 SD MET A 88 15.754 17.036 5.376 1.00 0.00 S ATOM 1311 CE MET A 88 17.206 16.040 5.047 1.00 0.00 C ATOM 0 H MET A 88 14.571 13.305 3.761 1.00 0.00 H new ATOM 0 HA MET A 88 15.448 14.320 6.343 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.896 14.750 4.739 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.351 15.636 6.180 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.978 15.611 3.615 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.794 16.840 4.015 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.881 16.088 5.901 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.907 15.006 4.878 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.715 16.420 4.161 1.00 0.00 H new ATOM 1321 N GLY A 89 12.775 12.382 6.043 1.00 0.00 N ATOM 1322 CA GLY A 89 11.927 11.470 6.788 1.00 0.00 C ATOM 1323 C GLY A 89 10.621 11.179 6.076 1.00 0.00 C ATOM 1324 O GLY A 89 10.413 11.615 4.943 1.00 0.00 O ATOM 0 H GLY A 89 12.529 12.488 5.059 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.462 10.535 6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.715 11.895 7.769 1.00 0.00 H new ATOM 1328 N PHE A 90 9.739 10.439 6.739 1.00 0.00 N ATOM 1329 CA PHE A 90 8.447 10.088 6.161 1.00 0.00 C ATOM 1330 C PHE A 90 7.445 11.225 6.337 1.00 0.00 C ATOM 1331 O PHE A 90 7.311 11.785 7.424 1.00 0.00 O ATOM 1332 CB PHE A 90 7.906 8.810 6.806 1.00 0.00 C ATOM 1333 CG PHE A 90 8.441 7.552 6.186 1.00 0.00 C ATOM 1334 CD1 PHE A 90 9.658 7.027 6.590 1.00 0.00 C ATOM 1335 CD2 PHE A 90 7.726 6.893 5.198 1.00 0.00 C ATOM 1336 CE1 PHE A 90 10.152 5.869 6.020 1.00 0.00 C ATOM 1337 CE2 PHE A 90 8.216 5.734 4.625 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.430 5.221 5.037 1.00 0.00 C ATOM 0 H PHE A 90 9.895 10.071 7.677 1.00 0.00 H new ATOM 0 HA PHE A 90 8.589 9.916 5.094 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.153 8.816 7.868 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.819 8.808 6.732 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.227 7.528 7.359 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.776 7.289 4.872 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.102 5.471 6.343 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.650 5.230 3.856 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.814 4.315 4.592 1.00 0.00 H new ATOM 1348 N GLY A 91 6.743 11.560 5.259 1.00 0.00 N ATOM 1349 CA GLY A 91 5.763 12.629 5.315 1.00 0.00 C ATOM 1350 C GLY A 91 4.367 12.120 5.614 1.00 0.00 C ATOM 1351 O GLY A 91 4.172 10.965 5.993 1.00 0.00 O ATOM 0 H GLY A 91 6.835 11.110 4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.056 13.347 6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.756 13.162 4.364 1.00 0.00 H new ATOM 1355 N PRO A 92 3.365 12.995 5.444 1.00 0.00 N ATOM 1356 CA PRO A 92 1.962 12.650 5.695 1.00 0.00 C ATOM 1357 C PRO A 92 1.413 11.671 4.663 1.00 0.00 C ATOM 1358 O PRO A 92 1.809 11.695 3.497 1.00 0.00 O ATOM 1359 CB PRO A 92 1.242 13.997 5.590 1.00 0.00 C ATOM 1360 CG PRO A 92 2.113 14.825 4.711 1.00 0.00 C ATOM 1361 CD PRO A 92 3.524 14.388 4.994 1.00 0.00 C ATOM 0 HA PRO A 92 1.829 12.154 6.656 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.246 13.881 5.164 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.118 14.457 6.570 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.862 14.676 3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.984 15.887 4.922 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.151 14.454 4.105 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.991 15.007 5.760 1.00 0.00 H new ATOM 1369 N PHE A 93 0.498 10.811 5.098 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.106 9.823 4.212 1.00 0.00 C ATOM 1371 C PHE A 93 -1.096 10.483 3.256 1.00 0.00 C ATOM 1372 O PHE A 93 -1.525 11.616 3.474 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.813 8.739 5.028 1.00 0.00 C ATOM 1374 CG PHE A 93 0.084 7.595 5.407 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.443 6.639 4.471 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.566 7.475 6.701 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.268 5.585 4.817 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.391 6.424 7.053 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.742 5.477 6.110 1.00 0.00 C ATOM 0 H PHE A 93 0.158 10.778 6.059 1.00 0.00 H new ATOM 0 HA PHE A 93 0.689 9.365 3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.222 9.186 5.934 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.656 8.355 4.454 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.074 6.718 3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.294 8.211 7.443 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.542 4.847 4.077 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.761 6.343 8.064 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.386 4.654 6.383 1.00 0.00 H new ATOM 1389 N SER A 94 -1.454 9.765 2.196 1.00 0.00 N ATOM 1390 CA SER A 94 -2.390 10.281 1.204 1.00 0.00 C ATOM 1391 C SER A 94 -3.828 10.168 1.703 1.00 0.00 C ATOM 1392 O SER A 94 -4.070 9.782 2.846 1.00 0.00 O ATOM 1393 CB SER A 94 -2.235 9.524 -0.116 1.00 0.00 C ATOM 1394 OG SER A 94 -2.557 8.153 0.041 1.00 0.00 O ATOM 0 H SER A 94 -1.110 8.824 2.002 1.00 0.00 H new ATOM 0 HA SER A 94 -2.163 11.334 1.039 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.882 9.969 -0.872 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.211 9.621 -0.476 1.00 0.00 H new ATOM 0 HG SER A 94 -3.531 8.042 0.029 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.777 10.509 0.836 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.190 10.446 1.189 1.00 0.00 C ATOM 1402 C GLU A 95 -6.642 9.000 1.372 1.00 0.00 C ATOM 1403 O GLU A 95 -6.374 8.143 0.531 1.00 0.00 O ATOM 1404 CB GLU A 95 -7.038 11.125 0.111 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.749 12.608 -0.047 1.00 0.00 C ATOM 1406 CD GLU A 95 -7.804 13.323 -0.868 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -8.976 13.352 -0.436 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -7.458 13.855 -1.944 1.00 0.00 O ATOM 0 H GLU A 95 -4.593 10.831 -0.114 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.326 10.972 2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.865 10.626 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.092 10.993 0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.687 13.069 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.776 12.736 -0.521 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.329 8.737 2.478 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.820 7.396 2.774 1.00 0.00 C ATOM 1417 C LYS A 96 -8.847 6.952 1.737 1.00 0.00 C ATOM 1418 O LYS A 96 -10.024 7.301 1.828 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.440 7.355 4.172 1.00 0.00 C ATOM 1420 CG LYS A 96 -9.302 8.564 4.491 1.00 0.00 C ATOM 1421 CD LYS A 96 -10.412 8.215 5.469 1.00 0.00 C ATOM 1422 CE LYS A 96 -11.639 9.087 5.254 1.00 0.00 C ATOM 1423 NZ LYS A 96 -12.472 9.187 6.484 1.00 0.00 N ATOM 0 H LYS A 96 -7.559 9.435 3.185 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.974 6.710 2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.045 6.453 4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.643 7.282 4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.680 9.354 4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.736 8.955 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.685 7.166 5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.051 8.339 6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.326 10.084 4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.239 8.676 4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.298 9.790 6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.792 8.238 6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.908 9.603 7.252 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.394 6.180 0.756 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.274 5.687 -0.298 1.00 0.00 C ATOM 1439 C CYS A 97 -9.942 4.381 0.119 1.00 0.00 C ATOM 1440 O CYS A 97 -9.276 3.444 0.557 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.488 5.482 -1.593 1.00 0.00 C ATOM 1442 SG CYS A 97 -7.580 3.920 -1.665 1.00 0.00 S ATOM 0 H CYS A 97 -7.423 5.882 0.668 1.00 0.00 H new ATOM 0 HA CYS A 97 -10.050 6.433 -0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -9.178 5.528 -2.436 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.784 6.305 -1.712 1.00 0.00 H new ATOM 0 HG CYS A 97 -7.897 3.186 -0.640 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.263 4.328 -0.019 1.00 0.00 N ATOM 1449 CA ASP A 98 -12.022 3.137 0.343 1.00 0.00 C ATOM 1450 C ASP A 98 -12.079 2.153 -0.822 1.00 0.00 C ATOM 1451 O ASP A 98 -12.499 2.507 -1.925 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.438 3.520 0.773 1.00 0.00 C ATOM 1453 CG ASP A 98 -14.403 3.576 -0.395 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -14.906 2.508 -0.801 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -14.655 4.689 -0.904 1.00 0.00 O ATOM 0 H ASP A 98 -11.830 5.096 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.515 2.654 1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.800 2.798 1.505 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.414 4.491 1.268 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.654 0.920 -0.570 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.657 -0.113 -1.598 1.00 0.00 C ATOM 1462 C ILE A 99 -12.391 -1.362 -1.120 1.00 0.00 C ATOM 1463 O ILE A 99 -12.083 -1.909 -0.060 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.225 -0.500 -2.012 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.510 0.700 -2.636 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.253 -1.670 -2.984 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.045 0.452 -2.916 1.00 0.00 C ATOM 0 H ILE A 99 -11.303 0.612 0.337 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.176 0.303 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.675 -0.805 -1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.010 0.966 -3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.604 1.556 -1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.234 -1.932 -3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.729 -2.527 -2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.817 -1.390 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.603 1.345 -3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.531 0.216 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.943 -0.384 -3.608 1.00 0.00 H new ATOM 1479 N THR A 100 -13.362 -1.810 -1.909 1.00 0.00 N ATOM 1480 CA THR A 100 -14.139 -2.995 -1.567 1.00 0.00 C ATOM 1481 C THR A 100 -13.586 -4.234 -2.261 1.00 0.00 C ATOM 1482 O THR A 100 -13.519 -4.294 -3.489 1.00 0.00 O ATOM 1483 CB THR A 100 -15.621 -2.824 -1.951 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.084 -1.528 -1.555 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.477 -3.896 -1.293 1.00 0.00 C ATOM 0 H THR A 100 -13.629 -1.370 -2.790 1.00 0.00 H new ATOM 0 HA THR A 100 -14.063 -3.123 -0.487 1.00 0.00 H new ATOM 0 HB THR A 100 -15.707 -2.925 -3.033 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.073 -1.461 -0.577 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.519 -3.755 -1.578 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.141 -4.880 -1.619 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.384 -3.821 -0.210 1.00 0.00 H new ATOM 1493 N THR A 101 -13.190 -5.225 -1.467 1.00 0.00 N ATOM 1494 CA THR A 101 -12.642 -6.463 -2.005 1.00 0.00 C ATOM 1495 C THR A 101 -13.701 -7.244 -2.776 1.00 0.00 C ATOM 1496 O THR A 101 -14.850 -6.814 -2.879 1.00 0.00 O ATOM 1497 CB THR A 101 -12.073 -7.358 -0.887 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.019 -7.467 0.182 1.00 0.00 O ATOM 1499 CG2 THR A 101 -10.764 -6.794 -0.357 1.00 0.00 C ATOM 0 H THR A 101 -13.239 -5.193 -0.449 1.00 0.00 H new ATOM 0 HA THR A 101 -11.835 -6.183 -2.683 1.00 0.00 H new ATOM 0 HB THR A 101 -11.882 -8.347 -1.304 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.565 -7.787 0.989 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.381 -7.442 0.431 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.037 -6.739 -1.167 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.934 -5.795 0.045 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.307 -8.393 -3.314 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.223 -9.235 -4.073 1.00 0.00 C ATOM 1509 C ALA A 102 -15.098 -10.071 -3.145 1.00 0.00 C ATOM 1510 O ALA A 102 -14.699 -10.435 -2.038 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.448 -10.135 -5.024 1.00 0.00 C ATOM 0 H ALA A 102 -12.359 -8.762 -3.238 1.00 0.00 H new ATOM 0 HA ALA A 102 -14.875 -8.585 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.145 -10.758 -5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.872 -9.522 -5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.771 -10.771 -4.453 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.319 -10.382 -3.603 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.276 -11.179 -2.828 1.00 0.00 C ATOM 1519 C PRO A 103 -16.846 -12.636 -2.698 1.00 0.00 C ATOM 1520 O PRO A 103 -17.562 -13.456 -2.126 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.567 -11.073 -3.643 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.115 -10.801 -5.036 1.00 0.00 C ATOM 1523 CD PRO A 103 -16.861 -9.981 -4.912 1.00 0.00 C ATOM 0 HA PRO A 103 -17.371 -10.819 -1.804 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.147 -11.994 -3.588 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.206 -10.272 -3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -17.922 -11.730 -5.572 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.879 -10.263 -5.596 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.160 -10.194 -5.719 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.074 -8.913 -4.948 1.00 0.00 H new ATOM 1531 N GLY A 104 -15.670 -12.951 -3.233 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.165 -14.310 -3.166 1.00 0.00 C ATOM 1533 C GLY A 104 -15.848 -15.232 -4.156 1.00 0.00 C ATOM 1534 O GLY A 104 -16.984 -14.987 -4.561 1.00 0.00 O ATOM 0 H GLY A 104 -15.058 -12.290 -3.711 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.092 -14.306 -3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.306 -14.697 -2.157 1.00 0.00 H new