USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 805 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 78 ASN : amide:sc= -0.178 K(o=0.66,f=1.3) USER MOD Set 1.2: A 82 THR OG1 : rot -68:sc= 0.835 USER MOD Set 2.1: A 45 SER OG : rot 89:sc= 1.87 USER MOD Set 2.2: A 124 GLN : amide:sc= 0.992 K(o=2.9,f=-0.27!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0.467 (180deg=0.467) USER MOD Single : A 25 TYR OH : rot 26:sc= 0.665 USER MOD Single : A 28 GLN : amide:sc= -2.69! K(o=-2.7!,f=-0.4) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 81:sc= 1.79 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 56:sc= 1.15 USER MOD Single : A 43 TYR OH : rot -144:sc= 1.23 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.015 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 52:sc= 0.0913 USER MOD Single : A 57 SER OG : rot -60:sc= 0.89 USER MOD Single : A 64 ASN : amide:sc=-0.00519 X(o=-0.0052,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00407 USER MOD Single : A 67 LYS NZ :NH3+ 167:sc= -0.0172 (180deg=-0.167) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.53! K(o=-1.5!,f=0) USER MOD Single : A 81 TYR OH : rot 30:sc= -0.0822 USER MOD Single : A 86 THR OG1 : rot 110:sc= 1.36 USER MOD Single : A 90 HIS : no HE2:sc= -0.502 K(o=-0.5,f=-3) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 64:sc= 1.1 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 132:sc= 1.22 USER MOD Single : A 107 SER OG : rot -80:sc= 0.854 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.248 X(o=0.25,f=-0.21) USER MOD Single : A 114 THR OG1 : rot -19:sc= -0.353 USER MOD Single : A 115 LYS NZ :NH3+ -169:sc= -0.0271 (180deg=-0.176) USER MOD Single : A 118 LYS NZ :NH3+ 166:sc= 1.15 (180deg=0.941) USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 0.986 19.320 5.377 1.00 0.00 N ATOM 2 CA GLY A 19 1.764 19.284 6.616 1.00 0.00 C ATOM 3 C GLY A 19 2.326 17.909 6.827 1.00 0.00 C ATOM 4 O GLY A 19 2.774 17.266 5.873 1.00 0.00 O ATOM 0 HA2 GLY A 19 2.573 20.013 6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.133 19.562 7.460 1.00 0.00 H new ATOM 10 N ALA A 20 2.246 17.406 8.044 1.00 0.00 N ATOM 11 CA ALA A 20 2.728 16.065 8.362 1.00 0.00 C ATOM 12 C ALA A 20 1.628 15.044 8.080 1.00 0.00 C ATOM 13 O ALA A 20 1.436 14.089 8.816 1.00 0.00 O ATOM 14 CB ALA A 20 3.171 15.994 9.820 1.00 0.00 C ATOM 0 H ALA A 20 1.849 17.907 8.839 1.00 0.00 H new ATOM 0 HA ALA A 20 3.589 15.835 7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.528 14.989 10.043 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.974 16.711 9.992 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.328 16.232 10.468 1.00 0.00 H new ATOM 20 N ASP A 21 0.946 15.240 6.965 1.00 0.00 N ATOM 21 CA ASP A 21 -0.168 14.395 6.540 1.00 0.00 C ATOM 22 C ASP A 21 0.381 13.121 5.982 1.00 0.00 C ATOM 23 O ASP A 21 -0.282 12.078 5.973 1.00 0.00 O ATOM 24 CB ASP A 21 -0.968 15.081 5.421 1.00 0.00 C ATOM 25 CG ASP A 21 -1.535 16.420 5.800 1.00 0.00 C ATOM 26 OD1 ASP A 21 -2.768 16.551 5.943 1.00 0.00 O ATOM 27 OD2 ASP A 21 -0.758 17.385 5.952 1.00 0.00 O ATOM 0 H ASP A 21 1.150 16.001 6.317 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.814 14.212 7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.322 15.206 4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.785 14.425 5.120 1.00 0.00 H new ATOM 32 N SER A 22 1.590 13.197 5.528 1.00 0.00 N ATOM 33 CA SER A 22 2.239 12.080 4.977 1.00 0.00 C ATOM 34 C SER A 22 3.284 11.589 5.953 1.00 0.00 C ATOM 35 O SER A 22 4.155 12.349 6.375 1.00 0.00 O ATOM 36 CB SER A 22 2.894 12.505 3.668 1.00 0.00 C ATOM 37 OG SER A 22 1.952 13.186 2.847 1.00 0.00 O ATOM 0 H SER A 22 2.149 14.050 5.535 1.00 0.00 H new ATOM 0 HA SER A 22 1.531 11.274 4.784 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.746 13.154 3.873 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.279 11.630 3.144 1.00 0.00 H new ATOM 0 HG SER A 22 2.383 13.456 2.009 1.00 0.00 H new ATOM 43 N CYS A 23 3.188 10.351 6.324 1.00 0.00 N ATOM 44 CA CYS A 23 4.182 9.752 7.147 1.00 0.00 C ATOM 45 C CYS A 23 5.002 8.835 6.281 1.00 0.00 C ATOM 46 O CYS A 23 4.526 8.358 5.237 1.00 0.00 O ATOM 47 CB CYS A 23 3.557 9.023 8.342 1.00 0.00 C ATOM 48 SG CYS A 23 2.267 7.825 7.900 1.00 0.00 S ATOM 0 H CYS A 23 2.420 9.732 6.064 1.00 0.00 H new ATOM 0 HA CYS A 23 4.828 10.517 7.578 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.345 8.505 8.888 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.132 9.762 9.021 1.00 0.00 H new ATOM 53 N LYS A 24 6.205 8.617 6.666 1.00 0.00 N ATOM 54 CA LYS A 24 7.131 7.859 5.888 1.00 0.00 C ATOM 55 C LYS A 24 6.953 6.375 6.127 1.00 0.00 C ATOM 56 O LYS A 24 6.968 5.923 7.277 1.00 0.00 O ATOM 57 CB LYS A 24 8.545 8.305 6.241 1.00 0.00 C ATOM 58 CG LYS A 24 8.761 9.807 6.054 1.00 0.00 C ATOM 59 CD LYS A 24 8.710 10.214 4.585 1.00 0.00 C ATOM 60 CE LYS A 24 9.942 9.766 3.846 1.00 0.00 C ATOM 61 NZ LYS A 24 11.165 10.390 4.386 1.00 0.00 N ATOM 0 H LYS A 24 6.587 8.964 7.546 1.00 0.00 H new ATOM 0 HA LYS A 24 6.948 8.037 4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.756 8.039 7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.257 7.761 5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.999 10.354 6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.726 10.090 6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.826 9.781 4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.613 11.297 4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.029 8.681 3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.843 10.016 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.991 10.056 3.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.093 11.424 4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.274 10.131 5.387 1.00 0.00 H new ATOM 75 N TYR A 25 6.776 5.636 5.016 1.00 0.00 N ATOM 76 CA TYR A 25 6.628 4.167 5.015 1.00 0.00 C ATOM 77 C TYR A 25 5.265 3.752 5.516 1.00 0.00 C ATOM 78 O TYR A 25 5.110 2.738 6.196 1.00 0.00 O ATOM 79 CB TYR A 25 7.770 3.457 5.790 1.00 0.00 C ATOM 80 CG TYR A 25 9.123 3.533 5.104 1.00 0.00 C ATOM 81 CD1 TYR A 25 9.841 2.384 4.819 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.664 4.750 4.728 1.00 0.00 C ATOM 83 CE1 TYR A 25 11.066 2.449 4.190 1.00 0.00 C ATOM 84 CE2 TYR A 25 10.869 4.835 4.099 1.00 0.00 C ATOM 85 CZ TYR A 25 11.583 3.682 3.829 1.00 0.00 C ATOM 86 OH TYR A 25 12.823 3.772 3.221 1.00 0.00 O ATOM 0 H TYR A 25 6.731 6.046 4.083 1.00 0.00 H new ATOM 0 HA TYR A 25 6.711 3.840 3.979 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.852 3.900 6.782 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.503 2.409 5.930 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.435 1.422 5.094 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.116 5.656 4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.618 1.545 3.980 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.265 5.798 3.813 1.00 0.00 H new ATOM 0 HH TYR A 25 13.019 2.934 2.751 1.00 0.00 H new ATOM 96 N CYS A 26 4.272 4.485 5.085 1.00 0.00 N ATOM 97 CA CYS A 26 2.919 4.217 5.469 1.00 0.00 C ATOM 98 C CYS A 26 2.096 4.013 4.231 1.00 0.00 C ATOM 99 O CYS A 26 2.386 4.596 3.181 1.00 0.00 O ATOM 100 CB CYS A 26 2.314 5.403 6.190 1.00 0.00 C ATOM 101 SG CYS A 26 3.296 6.122 7.515 1.00 0.00 S ATOM 0 H CYS A 26 4.382 5.283 4.459 1.00 0.00 H new ATOM 0 HA CYS A 26 2.922 3.341 6.117 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.110 6.182 5.455 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.354 5.097 6.605 1.00 0.00 H new ATOM 106 N LEU A 27 1.110 3.193 4.347 1.00 0.00 N ATOM 107 CA LEU A 27 0.159 2.980 3.310 1.00 0.00 C ATOM 108 C LEU A 27 -1.083 3.728 3.707 1.00 0.00 C ATOM 109 O LEU A 27 -1.652 3.458 4.771 1.00 0.00 O ATOM 110 CB LEU A 27 -0.141 1.492 3.187 1.00 0.00 C ATOM 111 CG LEU A 27 -1.108 1.059 2.106 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.616 1.447 0.734 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.312 -0.409 2.177 1.00 0.00 C ATOM 0 H LEU A 27 0.938 2.638 5.185 1.00 0.00 H new ATOM 0 HA LEU A 27 0.534 3.328 2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.802 0.972 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.532 1.148 4.145 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.056 1.570 2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.336 1.120 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.503 2.530 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.347 0.972 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.009 -0.718 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.358 -0.916 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.719 -0.673 3.153 1.00 0.00 H new ATOM 125 N GLN A 28 -1.468 4.701 2.931 1.00 0.00 N ATOM 126 CA GLN A 28 -2.640 5.455 3.263 1.00 0.00 C ATOM 127 C GLN A 28 -3.726 5.140 2.295 1.00 0.00 C ATOM 128 O GLN A 28 -3.552 5.250 1.066 1.00 0.00 O ATOM 129 CB GLN A 28 -2.329 6.931 3.246 1.00 0.00 C ATOM 130 CG GLN A 28 -1.334 7.329 4.313 1.00 0.00 C ATOM 131 CD GLN A 28 -0.858 8.756 4.177 1.00 0.00 C ATOM 132 OE1 GLN A 28 -1.565 9.626 3.674 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.328 9.020 4.641 1.00 0.00 N ATOM 0 H GLN A 28 -0.994 4.987 2.075 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.971 5.185 4.266 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.935 7.204 2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.251 7.494 3.387 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.790 7.196 5.294 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.475 6.660 4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.892 8.276 5.053 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.694 9.971 4.593 1.00 0.00 H new ATOM 142 N LEU A 29 -4.822 4.723 2.827 1.00 0.00 N ATOM 143 CA LEU A 29 -5.956 4.407 2.042 1.00 0.00 C ATOM 144 C LEU A 29 -7.029 5.432 2.271 1.00 0.00 C ATOM 145 O LEU A 29 -7.433 5.647 3.408 1.00 0.00 O ATOM 146 CB LEU A 29 -6.442 2.994 2.326 1.00 0.00 C ATOM 147 CG LEU A 29 -5.377 1.893 2.178 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.772 1.485 3.514 1.00 0.00 C ATOM 149 CD2 LEU A 29 -5.929 0.709 1.455 1.00 0.00 C ATOM 0 H LEU A 29 -4.954 4.592 3.830 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.682 4.434 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.838 2.960 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.270 2.769 1.653 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.568 2.314 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.027 0.706 3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.298 2.350 3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.557 1.107 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.156 -0.054 1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.775 0.305 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.260 1.011 0.461 1.00 0.00 H new ATOM 161 N TYR A 30 -7.471 6.055 1.217 1.00 0.00 N ATOM 162 CA TYR A 30 -8.462 7.114 1.282 1.00 0.00 C ATOM 163 C TYR A 30 -9.840 6.545 1.124 1.00 0.00 C ATOM 164 O TYR A 30 -10.013 5.517 0.468 1.00 0.00 O ATOM 165 CB TYR A 30 -8.226 8.127 0.175 1.00 0.00 C ATOM 166 CG TYR A 30 -6.930 8.879 0.278 1.00 0.00 C ATOM 167 CD1 TYR A 30 -6.854 10.071 0.981 1.00 0.00 C ATOM 168 CD2 TYR A 30 -5.782 8.405 -0.341 1.00 0.00 C ATOM 169 CE1 TYR A 30 -5.671 10.768 1.065 1.00 0.00 C ATOM 170 CE2 TYR A 30 -4.596 9.093 -0.258 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.546 10.275 0.445 1.00 0.00 C ATOM 172 OH TYR A 30 -3.368 10.967 0.522 1.00 0.00 O ATOM 0 H TYR A 30 -7.155 5.846 0.270 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.372 7.602 2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.255 7.610 -0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.047 8.844 0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.736 10.458 1.470 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.822 7.480 -0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.626 11.697 1.614 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.709 8.709 -0.741 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.671 10.483 0.032 1.00 0.00 H new ATOM 182 N ASP A 31 -10.826 7.209 1.682 1.00 0.00 N ATOM 183 CA ASP A 31 -12.196 6.717 1.592 1.00 0.00 C ATOM 184 C ASP A 31 -12.783 6.969 0.220 1.00 0.00 C ATOM 185 O ASP A 31 -13.503 6.135 -0.319 1.00 0.00 O ATOM 186 CB ASP A 31 -13.103 7.311 2.668 1.00 0.00 C ATOM 187 CG ASP A 31 -14.532 6.805 2.546 1.00 0.00 C ATOM 188 OD1 ASP A 31 -14.854 5.722 3.081 1.00 0.00 O ATOM 189 OD2 ASP A 31 -15.376 7.484 1.928 1.00 0.00 O ATOM 0 H ASP A 31 -10.716 8.081 2.199 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.145 5.641 1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.711 7.059 3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.095 8.398 2.591 1.00 0.00 H new ATOM 194 N GLU A 32 -12.438 8.083 -0.361 1.00 0.00 N ATOM 195 CA GLU A 32 -12.938 8.440 -1.661 1.00 0.00 C ATOM 196 C GLU A 32 -11.826 8.305 -2.666 1.00 0.00 C ATOM 197 O GLU A 32 -10.697 7.943 -2.308 1.00 0.00 O ATOM 198 CB GLU A 32 -13.490 9.867 -1.677 1.00 0.00 C ATOM 199 CG GLU A 32 -14.709 10.096 -0.808 1.00 0.00 C ATOM 200 CD GLU A 32 -15.264 11.487 -0.984 1.00 0.00 C ATOM 201 OE1 GLU A 32 -16.107 11.684 -1.888 1.00 0.00 O ATOM 202 OE2 GLU A 32 -14.861 12.410 -0.249 1.00 0.00 O ATOM 0 H GLU A 32 -11.804 8.768 0.050 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.758 7.768 -1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.702 10.548 -1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.741 10.131 -2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.477 9.363 -1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.445 9.939 0.238 1.00 0.00 H new ATOM 209 N THR A 33 -12.125 8.553 -3.905 1.00 0.00 N ATOM 210 CA THR A 33 -11.164 8.443 -4.947 1.00 0.00 C ATOM 211 C THR A 33 -10.311 9.707 -5.027 1.00 0.00 C ATOM 212 O THR A 33 -10.577 10.677 -4.306 1.00 0.00 O ATOM 213 CB THR A 33 -11.888 8.178 -6.272 1.00 0.00 C ATOM 214 OG1 THR A 33 -13.047 9.026 -6.362 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.337 6.749 -6.355 1.00 0.00 C ATOM 0 H THR A 33 -13.052 8.840 -4.218 1.00 0.00 H new ATOM 0 HA THR A 33 -10.493 7.610 -4.738 1.00 0.00 H new ATOM 0 HB THR A 33 -11.196 8.386 -7.088 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.776 9.920 -6.660 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.848 6.583 -7.303 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.470 6.091 -6.290 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.019 6.533 -5.532 1.00 0.00 H new ATOM 223 N TYR A 34 -9.273 9.676 -5.875 1.00 0.00 N ATOM 224 CA TYR A 34 -8.370 10.820 -6.144 1.00 0.00 C ATOM 225 C TYR A 34 -7.874 11.553 -4.892 1.00 0.00 C ATOM 226 O TYR A 34 -7.816 12.790 -4.871 1.00 0.00 O ATOM 227 CB TYR A 34 -8.911 11.787 -7.248 1.00 0.00 C ATOM 228 CG TYR A 34 -10.315 12.323 -7.045 1.00 0.00 C ATOM 229 CD1 TYR A 34 -11.403 11.555 -7.389 1.00 0.00 C ATOM 230 CD2 TYR A 34 -10.547 13.582 -6.517 1.00 0.00 C ATOM 231 CE1 TYR A 34 -12.679 12.000 -7.220 1.00 0.00 C ATOM 232 CE2 TYR A 34 -11.829 14.047 -6.345 1.00 0.00 C ATOM 233 CZ TYR A 34 -12.893 13.252 -6.698 1.00 0.00 C ATOM 234 OH TYR A 34 -14.180 13.713 -6.520 1.00 0.00 O ATOM 0 H TYR A 34 -9.027 8.841 -6.407 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.473 10.360 -6.559 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.229 12.634 -7.324 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.879 11.265 -8.205 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.241 10.572 -7.805 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.711 14.206 -6.237 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.515 11.374 -7.494 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.999 15.031 -5.935 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.154 14.616 -6.140 1.00 0.00 H new ATOM 244 N GLU A 35 -7.511 10.772 -3.856 1.00 0.00 N ATOM 245 CA GLU A 35 -6.965 11.293 -2.579 1.00 0.00 C ATOM 246 C GLU A 35 -8.019 12.071 -1.784 1.00 0.00 C ATOM 247 O GLU A 35 -7.683 12.910 -0.933 1.00 0.00 O ATOM 248 CB GLU A 35 -5.751 12.198 -2.829 1.00 0.00 C ATOM 249 CG GLU A 35 -4.593 11.537 -3.545 1.00 0.00 C ATOM 250 CD GLU A 35 -3.576 12.551 -3.974 1.00 0.00 C ATOM 251 OE1 GLU A 35 -2.670 12.882 -3.176 1.00 0.00 O ATOM 252 OE2 GLU A 35 -3.681 13.058 -5.121 1.00 0.00 O ATOM 0 H GLU A 35 -7.587 9.755 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.658 10.427 -1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.074 13.060 -3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.396 12.577 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.126 10.804 -2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.961 10.995 -4.416 1.00 0.00 H new ATOM 259 N ARG A 36 -9.271 11.799 -2.032 1.00 0.00 N ATOM 260 CA ARG A 36 -10.331 12.444 -1.294 1.00 0.00 C ATOM 261 C ARG A 36 -10.814 11.627 -0.107 1.00 0.00 C ATOM 262 O ARG A 36 -10.574 10.410 -0.013 1.00 0.00 O ATOM 263 CB ARG A 36 -11.498 12.848 -2.171 1.00 0.00 C ATOM 264 CG ARG A 36 -11.437 14.268 -2.667 1.00 0.00 C ATOM 265 CD ARG A 36 -12.797 14.703 -3.169 1.00 0.00 C ATOM 266 NE ARG A 36 -13.833 14.520 -2.134 1.00 0.00 N ATOM 267 CZ ARG A 36 -14.726 15.423 -1.761 1.00 0.00 C ATOM 268 NH1 ARG A 36 -14.746 16.631 -2.316 1.00 0.00 N ATOM 269 NH2 ARG A 36 -15.592 15.107 -0.816 1.00 0.00 N ATOM 0 H ARG A 36 -9.586 11.135 -2.739 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.881 13.356 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.542 12.177 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.423 12.710 -1.611 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.109 14.928 -1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.702 14.350 -3.468 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.759 15.751 -3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.061 14.128 -4.057 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.864 13.616 -1.663 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.068 16.871 -3.039 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.440 17.317 -2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.565 14.182 -0.388 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.288 15.788 -0.514 1.00 0.00 H new ATOM 283 N GLY A 37 -11.534 12.297 0.767 1.00 0.00 N ATOM 284 CA GLY A 37 -11.994 11.703 1.979 1.00 0.00 C ATOM 285 C GLY A 37 -10.893 11.702 2.993 1.00 0.00 C ATOM 286 O GLY A 37 -9.883 12.404 2.821 1.00 0.00 O ATOM 0 H GLY A 37 -11.811 13.271 0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.853 12.254 2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.328 10.683 1.791 1.00 0.00 H new ATOM 290 N SER A 38 -11.072 10.982 4.040 1.00 0.00 N ATOM 291 CA SER A 38 -10.031 10.818 5.002 1.00 0.00 C ATOM 292 C SER A 38 -9.251 9.576 4.619 1.00 0.00 C ATOM 293 O SER A 38 -9.607 8.888 3.646 1.00 0.00 O ATOM 294 CB SER A 38 -10.609 10.668 6.396 1.00 0.00 C ATOM 295 OG SER A 38 -11.512 11.730 6.707 1.00 0.00 O ATOM 0 H SER A 38 -11.938 10.490 4.259 1.00 0.00 H new ATOM 0 HA SER A 38 -9.381 11.693 5.010 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.129 9.713 6.474 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.800 10.652 7.126 1.00 0.00 H new ATOM 0 HG SER A 38 -11.868 11.603 7.611 1.00 0.00 H new ATOM 301 N TYR A 39 -8.227 9.276 5.351 1.00 0.00 N ATOM 302 CA TYR A 39 -7.409 8.150 5.046 1.00 0.00 C ATOM 303 C TYR A 39 -7.006 7.446 6.315 1.00 0.00 C ATOM 304 O TYR A 39 -7.170 7.982 7.414 1.00 0.00 O ATOM 305 CB TYR A 39 -6.174 8.580 4.229 1.00 0.00 C ATOM 306 CG TYR A 39 -5.299 9.592 4.920 1.00 0.00 C ATOM 307 CD1 TYR A 39 -4.192 9.191 5.636 1.00 0.00 C ATOM 308 CD2 TYR A 39 -5.590 10.948 4.860 1.00 0.00 C ATOM 309 CE1 TYR A 39 -3.396 10.099 6.279 1.00 0.00 C ATOM 310 CE2 TYR A 39 -4.801 11.870 5.500 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.702 11.446 6.212 1.00 0.00 C ATOM 312 OH TYR A 39 -2.905 12.370 6.862 1.00 0.00 O ATOM 0 H TYR A 39 -7.936 9.803 6.174 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.982 7.452 4.435 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.578 7.697 4.000 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.508 8.994 3.278 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.948 8.140 5.691 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.451 11.282 4.301 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.533 9.766 6.836 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.041 12.922 5.445 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.979 12.275 6.557 1.00 0.00 H new ATOM 322 N ILE A 40 -6.505 6.271 6.172 1.00 0.00 N ATOM 323 CA ILE A 40 -6.041 5.499 7.291 1.00 0.00 C ATOM 324 C ILE A 40 -4.535 5.346 7.146 1.00 0.00 C ATOM 325 O ILE A 40 -4.012 5.407 6.027 1.00 0.00 O ATOM 326 CB ILE A 40 -6.715 4.088 7.314 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.346 3.313 8.596 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.328 3.297 6.071 1.00 0.00 C ATOM 329 CD1 ILE A 40 -6.963 1.934 8.697 1.00 0.00 C ATOM 0 H ILE A 40 -6.400 5.806 5.270 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.297 6.003 8.223 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.796 4.228 7.314 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.262 3.216 8.647 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.655 3.899 9.461 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.804 2.317 6.100 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.657 3.834 5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.245 3.173 6.041 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.650 1.463 9.629 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.050 2.019 8.681 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.634 1.326 7.854 1.00 0.00 H new ATOM 341 N GLU A 41 -3.849 5.187 8.239 1.00 0.00 N ATOM 342 CA GLU A 41 -2.433 5.010 8.209 1.00 0.00 C ATOM 343 C GLU A 41 -2.115 3.572 8.525 1.00 0.00 C ATOM 344 O GLU A 41 -2.559 3.037 9.536 1.00 0.00 O ATOM 345 CB GLU A 41 -1.797 5.914 9.248 1.00 0.00 C ATOM 346 CG GLU A 41 -1.972 7.388 8.968 1.00 0.00 C ATOM 347 CD GLU A 41 -1.566 8.234 10.131 1.00 0.00 C ATOM 348 OE1 GLU A 41 -2.442 8.873 10.765 1.00 0.00 O ATOM 349 OE2 GLU A 41 -0.384 8.259 10.462 1.00 0.00 O ATOM 0 H GLU A 41 -4.257 5.177 9.174 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.043 5.263 7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.225 5.686 10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.732 5.690 9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.379 7.664 8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.015 7.588 8.721 1.00 0.00 H new ATOM 356 N VAL A 42 -1.381 2.952 7.662 1.00 0.00 N ATOM 357 CA VAL A 42 -0.958 1.593 7.853 1.00 0.00 C ATOM 358 C VAL A 42 0.544 1.563 7.784 1.00 0.00 C ATOM 359 O VAL A 42 1.133 2.179 6.903 1.00 0.00 O ATOM 360 CB VAL A 42 -1.571 0.662 6.775 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.077 -0.765 6.913 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.086 0.703 6.832 1.00 0.00 C ATOM 0 H VAL A 42 -1.051 3.373 6.794 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.301 1.231 8.823 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.243 1.032 5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.531 -1.384 6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.007 -0.787 6.806 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.352 -1.152 7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.497 0.043 6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.422 0.373 7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.429 1.722 6.654 1.00 0.00 H new ATOM 372 N TYR A 43 1.154 0.885 8.714 1.00 0.00 N ATOM 373 CA TYR A 43 2.594 0.855 8.803 1.00 0.00 C ATOM 374 C TYR A 43 3.107 -0.570 8.646 1.00 0.00 C ATOM 375 O TYR A 43 4.250 -0.794 8.245 1.00 0.00 O ATOM 376 CB TYR A 43 3.021 1.377 10.173 1.00 0.00 C ATOM 377 CG TYR A 43 2.365 2.684 10.591 1.00 0.00 C ATOM 378 CD1 TYR A 43 1.286 2.677 11.458 1.00 0.00 C ATOM 379 CD2 TYR A 43 2.824 3.911 10.135 1.00 0.00 C ATOM 380 CE1 TYR A 43 0.688 3.845 11.865 1.00 0.00 C ATOM 381 CE2 TYR A 43 2.218 5.097 10.538 1.00 0.00 C ATOM 382 CZ TYR A 43 1.153 5.053 11.405 1.00 0.00 C ATOM 383 OH TYR A 43 0.559 6.226 11.845 1.00 0.00 O ATOM 0 H TYR A 43 0.675 0.339 9.430 1.00 0.00 H new ATOM 0 HA TYR A 43 3.008 1.477 8.009 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.795 0.618 10.922 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.102 1.513 10.173 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.906 1.734 11.822 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.664 3.946 9.457 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.149 3.813 12.547 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.582 6.046 10.172 1.00 0.00 H new ATOM 0 HH TYR A 43 0.536 6.876 11.112 1.00 0.00 H new ATOM 393 N LYS A 44 2.256 -1.525 8.953 1.00 0.00 N ATOM 394 CA LYS A 44 2.627 -2.926 8.946 1.00 0.00 C ATOM 395 C LYS A 44 1.647 -3.766 8.143 1.00 0.00 C ATOM 396 O LYS A 44 0.529 -3.336 7.885 1.00 0.00 O ATOM 397 CB LYS A 44 2.814 -3.457 10.394 1.00 0.00 C ATOM 398 CG LYS A 44 1.765 -3.038 11.424 1.00 0.00 C ATOM 399 CD LYS A 44 0.380 -3.574 11.170 1.00 0.00 C ATOM 400 CE LYS A 44 -0.507 -3.161 12.305 1.00 0.00 C ATOM 401 NZ LYS A 44 -1.912 -3.594 12.135 1.00 0.00 N ATOM 0 H LYS A 44 1.285 -1.353 9.215 1.00 0.00 H new ATOM 0 HA LYS A 44 3.589 -3.015 8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.836 -4.546 10.356 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.790 -3.131 10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.092 -3.369 12.410 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.718 -1.949 11.452 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.008 -3.189 10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.404 -4.660 11.085 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.115 -3.577 13.233 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.478 -2.076 12.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.474 -3.279 12.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.301 -3.177 11.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.950 -4.631 12.069 1.00 0.00 H new ATOM 415 N SER A 45 2.066 -4.952 7.764 1.00 0.00 N ATOM 416 CA SER A 45 1.243 -5.834 6.960 1.00 0.00 C ATOM 417 C SER A 45 0.126 -6.455 7.804 1.00 0.00 C ATOM 418 O SER A 45 0.307 -6.738 9.004 1.00 0.00 O ATOM 419 CB SER A 45 2.107 -6.950 6.379 1.00 0.00 C ATOM 420 OG SER A 45 3.269 -6.429 5.750 1.00 0.00 O ATOM 0 H SER A 45 2.982 -5.333 8.002 1.00 0.00 H new ATOM 0 HA SER A 45 0.795 -5.249 6.157 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.398 -7.638 7.173 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.526 -7.524 5.657 1.00 0.00 H new ATOM 0 HG SER A 45 3.989 -6.346 6.410 1.00 0.00 H new ATOM 426 N VAL A 46 -1.008 -6.645 7.191 1.00 0.00 N ATOM 427 CA VAL A 46 -2.127 -7.261 7.824 1.00 0.00 C ATOM 428 C VAL A 46 -2.513 -8.495 7.008 1.00 0.00 C ATOM 429 O VAL A 46 -2.521 -8.454 5.774 1.00 0.00 O ATOM 430 CB VAL A 46 -3.333 -6.278 7.973 1.00 0.00 C ATOM 431 CG1 VAL A 46 -3.947 -5.904 6.640 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.366 -6.818 8.941 1.00 0.00 C ATOM 0 H VAL A 46 -1.178 -6.370 6.223 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.852 -7.553 8.838 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.938 -5.354 8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.780 -5.220 6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.196 -5.420 6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.308 -6.803 6.141 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.192 -6.112 9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.741 -7.774 8.577 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.909 -6.957 9.921 1.00 0.00 H new ATOM 442 N GLY A 47 -2.807 -9.568 7.664 1.00 0.00 N ATOM 443 CA GLY A 47 -3.118 -10.780 6.959 1.00 0.00 C ATOM 444 C GLY A 47 -4.591 -11.008 6.799 1.00 0.00 C ATOM 445 O GLY A 47 -5.015 -11.727 5.900 1.00 0.00 O ATOM 0 H GLY A 47 -2.840 -9.637 8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.652 -10.750 5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.682 -11.625 7.492 1.00 0.00 H new ATOM 449 N SER A 48 -5.380 -10.418 7.648 1.00 0.00 N ATOM 450 CA SER A 48 -6.810 -10.607 7.595 1.00 0.00 C ATOM 451 C SER A 48 -7.534 -9.355 8.078 1.00 0.00 C ATOM 452 O SER A 48 -7.216 -8.809 9.139 1.00 0.00 O ATOM 453 CB SER A 48 -7.230 -11.815 8.454 1.00 0.00 C ATOM 454 OG SER A 48 -6.497 -12.998 8.126 1.00 0.00 O ATOM 0 H SER A 48 -5.060 -9.797 8.392 1.00 0.00 H new ATOM 0 HA SER A 48 -7.087 -10.798 6.558 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.080 -11.578 9.507 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.295 -12.001 8.318 1.00 0.00 H new ATOM 0 HG SER A 48 -6.796 -13.737 8.696 1.00 0.00 H new ATOM 460 N LEU A 49 -8.455 -8.889 7.283 1.00 0.00 N ATOM 461 CA LEU A 49 -9.280 -7.758 7.613 1.00 0.00 C ATOM 462 C LEU A 49 -10.716 -8.189 7.564 1.00 0.00 C ATOM 463 O LEU A 49 -11.195 -8.659 6.526 1.00 0.00 O ATOM 464 CB LEU A 49 -9.036 -6.653 6.587 1.00 0.00 C ATOM 465 CG LEU A 49 -7.642 -6.041 6.609 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.421 -5.182 5.393 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.458 -5.220 7.864 1.00 0.00 C ATOM 0 H LEU A 49 -8.659 -9.292 6.368 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.041 -7.384 8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.222 -7.057 5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.766 -5.860 6.751 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.909 -6.848 6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.419 -4.754 5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.525 -5.790 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.158 -4.379 5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.458 -4.786 7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.200 -4.422 7.889 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.583 -5.859 8.738 1.00 0.00 H new ATOM 479 N SER A 50 -11.382 -8.107 8.677 1.00 0.00 N ATOM 480 CA SER A 50 -12.773 -8.433 8.737 1.00 0.00 C ATOM 481 C SER A 50 -13.523 -7.340 9.493 1.00 0.00 C ATOM 482 O SER A 50 -13.308 -7.170 10.685 1.00 0.00 O ATOM 483 CB SER A 50 -12.959 -9.774 9.406 1.00 0.00 C ATOM 484 OG SER A 50 -12.024 -10.712 8.886 1.00 0.00 O ATOM 0 H SER A 50 -10.977 -7.813 9.566 1.00 0.00 H new ATOM 0 HA SER A 50 -13.177 -8.496 7.726 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.825 -9.674 10.483 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.975 -10.133 9.243 1.00 0.00 H new ATOM 0 HG SER A 50 -12.150 -11.578 9.326 1.00 0.00 H new ATOM 490 N PRO A 51 -14.378 -6.569 8.830 1.00 0.00 N ATOM 491 CA PRO A 51 -14.628 -6.705 7.404 1.00 0.00 C ATOM 492 C PRO A 51 -13.481 -6.091 6.587 1.00 0.00 C ATOM 493 O PRO A 51 -12.671 -5.323 7.136 1.00 0.00 O ATOM 494 CB PRO A 51 -15.916 -5.905 7.204 1.00 0.00 C ATOM 495 CG PRO A 51 -15.870 -4.857 8.255 1.00 0.00 C ATOM 496 CD PRO A 51 -15.174 -5.481 9.431 1.00 0.00 C ATOM 0 HA PRO A 51 -14.706 -7.743 7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.960 -5.466 6.207 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.797 -6.538 7.313 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.331 -3.977 7.905 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.874 -4.530 8.524 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.541 -4.761 9.950 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -15.887 -5.863 10.162 1.00 0.00 H new ATOM 504 N PRO A 52 -13.367 -6.448 5.305 1.00 0.00 N ATOM 505 CA PRO A 52 -12.327 -5.902 4.423 1.00 0.00 C ATOM 506 C PRO A 52 -12.476 -4.388 4.284 1.00 0.00 C ATOM 507 O PRO A 52 -13.576 -3.842 4.475 1.00 0.00 O ATOM 508 CB PRO A 52 -12.602 -6.587 3.073 1.00 0.00 C ATOM 509 CG PRO A 52 -14.013 -7.046 3.164 1.00 0.00 C ATOM 510 CD PRO A 52 -14.236 -7.399 4.600 1.00 0.00 C ATOM 0 HA PRO A 52 -11.320 -6.080 4.800 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.463 -5.895 2.242 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.923 -7.424 2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.700 -6.263 2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.186 -7.907 2.518 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.281 -7.283 4.888 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.960 -8.432 4.811 1.00 0.00 H new ATOM 518 N TRP A 53 -11.418 -3.721 3.930 1.00 0.00 N ATOM 519 CA TRP A 53 -11.450 -2.281 3.812 1.00 0.00 C ATOM 520 C TRP A 53 -11.847 -1.915 2.430 1.00 0.00 C ATOM 521 O TRP A 53 -11.405 -2.545 1.484 1.00 0.00 O ATOM 522 CB TRP A 53 -10.078 -1.666 4.093 1.00 0.00 C ATOM 523 CG TRP A 53 -9.611 -1.778 5.513 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.379 -1.971 6.624 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.261 -1.671 5.973 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.586 -1.998 7.743 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.284 -1.808 7.371 1.00 0.00 C ATOM 528 CE3 TRP A 53 -7.034 -1.473 5.340 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.126 -1.754 8.141 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -5.891 -1.423 6.109 1.00 0.00 C ATOM 531 CH2 TRP A 53 -5.946 -1.560 7.494 1.00 0.00 C ATOM 0 H TRP A 53 -10.516 -4.146 3.716 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.164 -1.900 4.542 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.343 -2.145 3.446 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.106 -0.612 3.818 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.453 -2.086 6.623 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -9.915 -2.137 8.699 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.980 -1.361 4.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.163 -1.862 9.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.935 -1.275 5.629 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.031 -1.511 8.066 1.00 0.00 H new ATOM 542 N THR A 54 -12.674 -0.915 2.297 1.00 0.00 N ATOM 543 CA THR A 54 -13.091 -0.483 0.996 1.00 0.00 C ATOM 544 C THR A 54 -12.670 0.979 0.711 1.00 0.00 C ATOM 545 O THR A 54 -13.460 1.923 0.904 1.00 0.00 O ATOM 546 CB THR A 54 -14.611 -0.688 0.792 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.346 -0.107 1.885 1.00 0.00 O ATOM 548 CG2 THR A 54 -14.943 -2.169 0.697 1.00 0.00 C ATOM 0 H THR A 54 -13.071 -0.386 3.074 1.00 0.00 H new ATOM 0 HA THR A 54 -12.576 -1.110 0.269 1.00 0.00 H new ATOM 0 HB THR A 54 -14.896 -0.196 -0.138 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.062 0.822 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.016 -2.293 0.554 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.411 -2.608 -0.147 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.640 -2.670 1.616 1.00 0.00 H new ATOM 556 N PRO A 55 -11.388 1.203 0.359 1.00 0.00 N ATOM 557 CA PRO A 55 -10.890 2.525 0.018 1.00 0.00 C ATOM 558 C PRO A 55 -11.268 2.959 -1.401 1.00 0.00 C ATOM 559 O PRO A 55 -11.551 2.134 -2.276 1.00 0.00 O ATOM 560 CB PRO A 55 -9.381 2.359 0.123 1.00 0.00 C ATOM 561 CG PRO A 55 -9.151 0.956 -0.263 1.00 0.00 C ATOM 562 CD PRO A 55 -10.303 0.197 0.312 1.00 0.00 C ATOM 0 HA PRO A 55 -11.310 3.293 0.668 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.856 3.047 -0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.027 2.558 1.134 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.110 0.848 -1.347 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.203 0.590 0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.573 -0.656 -0.310 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.073 -0.192 1.304 1.00 0.00 H new ATOM 570 N GLY A 56 -11.269 4.245 -1.614 1.00 0.00 N ATOM 571 CA GLY A 56 -11.558 4.787 -2.907 1.00 0.00 C ATOM 572 C GLY A 56 -10.288 5.005 -3.681 1.00 0.00 C ATOM 573 O GLY A 56 -10.263 4.909 -4.901 1.00 0.00 O ATOM 0 H GLY A 56 -11.070 4.943 -0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.213 4.109 -3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.093 5.731 -2.801 1.00 0.00 H new ATOM 577 N SER A 57 -9.229 5.267 -2.968 1.00 0.00 N ATOM 578 CA SER A 57 -7.944 5.491 -3.551 1.00 0.00 C ATOM 579 C SER A 57 -6.874 5.125 -2.543 1.00 0.00 C ATOM 580 O SER A 57 -7.115 5.170 -1.340 1.00 0.00 O ATOM 581 CB SER A 57 -7.804 6.949 -4.052 1.00 0.00 C ATOM 582 OG SER A 57 -8.114 7.904 -3.055 1.00 0.00 O ATOM 0 H SER A 57 -9.239 5.331 -1.950 1.00 0.00 H new ATOM 0 HA SER A 57 -7.824 4.855 -4.428 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.784 7.112 -4.400 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.461 7.099 -4.909 1.00 0.00 H new ATOM 0 HG SER A 57 -9.041 7.781 -2.761 1.00 0.00 H new ATOM 588 N VAL A 58 -5.735 4.711 -3.015 1.00 0.00 N ATOM 589 CA VAL A 58 -4.648 4.315 -2.143 1.00 0.00 C ATOM 590 C VAL A 58 -3.423 5.058 -2.592 1.00 0.00 C ATOM 591 O VAL A 58 -3.256 5.262 -3.788 1.00 0.00 O ATOM 592 CB VAL A 58 -4.351 2.791 -2.275 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.293 2.350 -1.289 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.607 1.948 -2.127 1.00 0.00 C ATOM 0 H VAL A 58 -5.525 4.635 -4.010 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.917 4.535 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.968 2.632 -3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.109 1.282 -1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.371 2.900 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.636 2.549 -0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.351 0.893 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.049 2.123 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.323 2.222 -2.902 1.00 0.00 H new ATOM 604 N CYS A 59 -2.586 5.483 -1.688 1.00 0.00 N ATOM 605 CA CYS A 59 -1.373 6.126 -2.097 1.00 0.00 C ATOM 606 C CYS A 59 -0.237 5.815 -1.151 1.00 0.00 C ATOM 607 O CYS A 59 -0.448 5.560 0.052 1.00 0.00 O ATOM 608 CB CYS A 59 -1.542 7.638 -2.263 1.00 0.00 C ATOM 609 SG CYS A 59 -0.071 8.431 -3.010 1.00 0.00 S ATOM 0 H CYS A 59 -2.719 5.398 -0.680 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.123 5.720 -3.077 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.414 7.836 -2.887 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.738 8.087 -1.289 1.00 0.00 H new ATOM 614 N VAL A 60 0.951 5.795 -1.705 1.00 0.00 N ATOM 615 CA VAL A 60 2.162 5.599 -0.961 1.00 0.00 C ATOM 616 C VAL A 60 3.010 6.849 -1.154 1.00 0.00 C ATOM 617 O VAL A 60 3.297 7.223 -2.293 1.00 0.00 O ATOM 618 CB VAL A 60 2.953 4.361 -1.469 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.206 4.127 -0.630 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.073 3.124 -1.469 1.00 0.00 C ATOM 0 H VAL A 60 1.101 5.917 -2.706 1.00 0.00 H new ATOM 0 HA VAL A 60 1.923 5.425 0.088 1.00 0.00 H new ATOM 0 HB VAL A 60 3.266 4.562 -2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.739 3.255 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.853 5.002 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.922 3.957 0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.647 2.269 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.723 2.926 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.217 3.287 -2.123 1.00 0.00 H new ATOM 630 N PRO A 61 3.386 7.524 -0.066 1.00 0.00 N ATOM 631 CA PRO A 61 4.192 8.752 -0.128 1.00 0.00 C ATOM 632 C PRO A 61 5.586 8.494 -0.702 1.00 0.00 C ATOM 633 O PRO A 61 6.182 7.427 -0.471 1.00 0.00 O ATOM 634 CB PRO A 61 4.291 9.191 1.341 1.00 0.00 C ATOM 635 CG PRO A 61 4.016 7.959 2.126 1.00 0.00 C ATOM 636 CD PRO A 61 3.060 7.147 1.313 1.00 0.00 C ATOM 0 HA PRO A 61 3.745 9.503 -0.779 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.279 9.592 1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.568 9.975 1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.935 7.404 2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.588 8.205 3.098 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.196 6.079 1.481 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.024 7.379 1.559 1.00 0.00 H new ATOM 644 N PHE A 62 6.083 9.443 -1.468 1.00 0.00 N ATOM 645 CA PHE A 62 7.383 9.336 -2.075 1.00 0.00 C ATOM 646 C PHE A 62 8.468 9.353 -1.013 1.00 0.00 C ATOM 647 O PHE A 62 8.525 10.247 -0.165 1.00 0.00 O ATOM 648 CB PHE A 62 7.610 10.458 -3.105 1.00 0.00 C ATOM 649 CG PHE A 62 8.901 10.324 -3.883 1.00 0.00 C ATOM 650 CD1 PHE A 62 8.951 9.542 -5.026 1.00 0.00 C ATOM 651 CD2 PHE A 62 10.059 10.968 -3.471 1.00 0.00 C ATOM 652 CE1 PHE A 62 10.125 9.401 -5.739 1.00 0.00 C ATOM 653 CE2 PHE A 62 11.234 10.830 -4.182 1.00 0.00 C ATOM 654 CZ PHE A 62 11.268 10.046 -5.316 1.00 0.00 C ATOM 0 H PHE A 62 5.592 10.310 -1.684 1.00 0.00 H new ATOM 0 HA PHE A 62 7.432 8.384 -2.604 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.775 10.469 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.606 11.418 -2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.059 9.036 -5.364 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.041 11.584 -2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.148 8.786 -6.627 1.00 0.00 H new ATOM 0 HE2 PHE A 62 12.128 11.337 -3.850 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.188 9.937 -5.872 1.00 0.00 H new ATOM 664 N VAL A 63 9.292 8.354 -1.055 1.00 0.00 N ATOM 665 CA VAL A 63 10.383 8.201 -0.153 1.00 0.00 C ATOM 666 C VAL A 63 11.673 8.636 -0.842 1.00 0.00 C ATOM 667 O VAL A 63 11.991 8.156 -1.920 1.00 0.00 O ATOM 668 CB VAL A 63 10.468 6.722 0.317 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.729 6.448 1.101 1.00 0.00 C ATOM 670 CG2 VAL A 63 9.239 6.370 1.149 1.00 0.00 C ATOM 0 H VAL A 63 9.220 7.601 -1.739 1.00 0.00 H new ATOM 0 HA VAL A 63 10.233 8.829 0.725 1.00 0.00 H new ATOM 0 HB VAL A 63 10.498 6.093 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.746 5.403 1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.598 6.657 0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.755 7.087 1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.305 5.332 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.191 7.022 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.341 6.504 0.546 1.00 0.00 H new ATOM 680 N ASN A 64 12.368 9.570 -0.235 1.00 0.00 N ATOM 681 CA ASN A 64 13.635 10.090 -0.763 1.00 0.00 C ATOM 682 C ASN A 64 14.736 9.842 0.261 1.00 0.00 C ATOM 683 O ASN A 64 15.795 10.476 0.249 1.00 0.00 O ATOM 684 CB ASN A 64 13.515 11.599 -1.081 1.00 0.00 C ATOM 685 CG ASN A 64 13.238 12.475 0.139 1.00 0.00 C ATOM 686 OD1 ASN A 64 12.081 12.701 0.514 1.00 0.00 O ATOM 687 ND2 ASN A 64 14.273 12.995 0.744 1.00 0.00 N ATOM 0 H ASN A 64 12.080 10.001 0.644 1.00 0.00 H new ATOM 0 HA ASN A 64 13.880 9.575 -1.692 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.439 11.934 -1.553 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.715 11.743 -1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.139 13.606 1.549 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.215 12.790 0.411 1.00 0.00 H new ATOM 694 N ASP A 65 14.456 8.899 1.126 1.00 0.00 N ATOM 695 CA ASP A 65 15.340 8.469 2.214 1.00 0.00 C ATOM 696 C ASP A 65 16.676 7.989 1.734 1.00 0.00 C ATOM 697 O ASP A 65 16.800 7.431 0.642 1.00 0.00 O ATOM 698 CB ASP A 65 14.700 7.377 3.064 1.00 0.00 C ATOM 699 CG ASP A 65 13.614 7.897 3.937 1.00 0.00 C ATOM 700 OD1 ASP A 65 13.736 7.809 5.183 1.00 0.00 O ATOM 701 OD2 ASP A 65 12.640 8.442 3.420 1.00 0.00 O ATOM 0 H ASP A 65 13.577 8.382 1.102 1.00 0.00 H new ATOM 0 HA ASP A 65 15.497 9.361 2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.297 6.602 2.411 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.465 6.907 3.682 1.00 0.00 H new ATOM 706 N THR A 66 17.687 8.254 2.534 1.00 0.00 N ATOM 707 CA THR A 66 19.030 7.783 2.280 1.00 0.00 C ATOM 708 C THR A 66 19.007 6.230 2.245 1.00 0.00 C ATOM 709 O THR A 66 19.818 5.593 1.556 1.00 0.00 O ATOM 710 CB THR A 66 19.972 8.281 3.395 1.00 0.00 C ATOM 711 OG1 THR A 66 19.732 9.688 3.616 1.00 0.00 O ATOM 712 CG2 THR A 66 21.429 8.092 3.003 1.00 0.00 C ATOM 0 H THR A 66 17.598 8.807 3.386 1.00 0.00 H new ATOM 0 HA THR A 66 19.393 8.165 1.326 1.00 0.00 H new ATOM 0 HB THR A 66 19.774 7.705 4.299 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.325 10.014 4.325 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.072 8.451 3.807 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.624 7.034 2.828 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.637 8.655 2.093 1.00 0.00 H new ATOM 720 N LYS A 67 18.026 5.660 2.974 1.00 0.00 N ATOM 721 CA LYS A 67 17.743 4.232 2.977 1.00 0.00 C ATOM 722 C LYS A 67 17.484 3.767 1.553 1.00 0.00 C ATOM 723 O LYS A 67 16.617 4.323 0.843 1.00 0.00 O ATOM 724 CB LYS A 67 16.505 3.930 3.846 1.00 0.00 C ATOM 725 CG LYS A 67 16.672 4.192 5.340 1.00 0.00 C ATOM 726 CD LYS A 67 17.732 3.291 5.963 1.00 0.00 C ATOM 727 CE LYS A 67 17.838 3.505 7.467 1.00 0.00 C ATOM 728 NZ LYS A 67 16.597 3.123 8.187 1.00 0.00 N ATOM 0 H LYS A 67 17.406 6.196 3.581 1.00 0.00 H new ATOM 0 HA LYS A 67 18.602 3.703 3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.671 4.529 3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.231 2.884 3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.946 5.235 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.719 4.033 5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.489 2.248 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 67 18.698 3.489 5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.673 2.922 7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.061 4.553 7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.789 3.076 9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.858 3.832 8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.274 2.193 7.852 1.00 0.00 H new ATOM 742 N ARG A 68 18.233 2.783 1.135 1.00 0.00 N ATOM 743 CA ARG A 68 18.137 2.277 -0.207 1.00 0.00 C ATOM 744 C ARG A 68 16.928 1.387 -0.372 1.00 0.00 C ATOM 745 O ARG A 68 16.379 1.276 -1.476 1.00 0.00 O ATOM 746 CB ARG A 68 19.403 1.535 -0.625 1.00 0.00 C ATOM 747 CG ARG A 68 20.674 2.383 -0.726 1.00 0.00 C ATOM 748 CD ARG A 68 20.542 3.520 -1.739 1.00 0.00 C ATOM 749 NE ARG A 68 19.878 4.734 -1.195 1.00 0.00 N ATOM 750 CZ ARG A 68 19.178 5.630 -1.919 1.00 0.00 C ATOM 751 NH1 ARG A 68 18.671 5.291 -3.097 1.00 0.00 N ATOM 752 NH2 ARG A 68 18.910 6.825 -1.415 1.00 0.00 N ATOM 0 H ARG A 68 18.926 2.310 1.715 1.00 0.00 H new ATOM 0 HA ARG A 68 18.023 3.140 -0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.582 0.731 0.089 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.224 1.067 -1.593 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.908 2.799 0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 68 21.511 1.745 -1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.535 3.791 -2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 68 19.977 3.163 -2.600 1.00 0.00 H new ATOM 0 HE ARG A 68 19.959 4.903 -0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 68 18.810 4.348 -3.460 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.142 5.974 -3.640 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.233 7.068 -0.479 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.380 7.503 -1.963 1.00 0.00 H new ATOM 766 N GLU A 69 16.502 0.756 0.700 1.00 0.00 N ATOM 767 CA GLU A 69 15.340 -0.071 0.614 1.00 0.00 C ATOM 768 C GLU A 69 14.115 0.803 0.747 1.00 0.00 C ATOM 769 O GLU A 69 13.966 1.590 1.701 1.00 0.00 O ATOM 770 CB GLU A 69 15.331 -1.198 1.670 1.00 0.00 C ATOM 771 CG GLU A 69 16.391 -2.301 1.481 1.00 0.00 C ATOM 772 CD GLU A 69 17.824 -1.838 1.663 1.00 0.00 C ATOM 773 OE1 GLU A 69 18.511 -1.584 0.670 1.00 0.00 O ATOM 774 OE2 GLU A 69 18.284 -1.733 2.833 1.00 0.00 O ATOM 0 H GLU A 69 16.939 0.803 1.620 1.00 0.00 H new ATOM 0 HA GLU A 69 15.344 -0.569 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.471 -0.750 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.345 -1.663 1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.190 -3.105 2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.283 -2.723 0.482 1.00 0.00 H new ATOM 781 N ARG A 70 13.265 0.689 -0.205 1.00 0.00 N ATOM 782 CA ARG A 70 12.083 1.475 -0.276 1.00 0.00 C ATOM 783 C ARG A 70 10.875 0.634 0.027 1.00 0.00 C ATOM 784 O ARG A 70 10.904 -0.557 -0.188 1.00 0.00 O ATOM 785 CB ARG A 70 12.005 2.133 -1.642 1.00 0.00 C ATOM 786 CG ARG A 70 13.209 3.026 -1.929 1.00 0.00 C ATOM 787 CD ARG A 70 13.286 4.159 -0.929 1.00 0.00 C ATOM 788 NE ARG A 70 14.499 4.965 -1.051 1.00 0.00 N ATOM 789 CZ ARG A 70 14.676 5.967 -1.914 1.00 0.00 C ATOM 790 NH1 ARG A 70 13.864 6.115 -2.964 1.00 0.00 N ATOM 791 NH2 ARG A 70 15.675 6.797 -1.741 1.00 0.00 N ATOM 0 H ARG A 70 13.371 0.031 -0.977 1.00 0.00 H new ATOM 0 HA ARG A 70 12.110 2.263 0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.937 1.362 -2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.093 2.727 -1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.124 2.435 -1.888 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.136 3.430 -2.939 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.417 4.804 -1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.233 3.747 0.079 1.00 0.00 H new ATOM 0 HE ARG A 70 15.273 4.743 -0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 70 13.098 5.458 -3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.010 6.885 -3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 70 16.309 6.674 -0.952 1.00 0.00 H new ATOM 0 HH22 ARG A 70 15.818 7.566 -2.396 1.00 0.00 H new ATOM 805 N PRO A 71 9.802 1.217 0.533 1.00 0.00 N ATOM 806 CA PRO A 71 8.619 0.459 0.852 1.00 0.00 C ATOM 807 C PRO A 71 7.695 0.291 -0.368 1.00 0.00 C ATOM 808 O PRO A 71 7.441 1.242 -1.119 1.00 0.00 O ATOM 809 CB PRO A 71 7.985 1.314 1.946 1.00 0.00 C ATOM 810 CG PRO A 71 8.305 2.717 1.553 1.00 0.00 C ATOM 811 CD PRO A 71 9.631 2.656 0.830 1.00 0.00 C ATOM 0 HA PRO A 71 8.823 -0.565 1.163 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.908 1.153 2.002 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.395 1.073 2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.528 3.128 0.909 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.368 3.363 2.429 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.618 3.254 -0.081 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.443 3.036 1.450 1.00 0.00 H new ATOM 819 N TYR A 72 7.221 -0.907 -0.557 1.00 0.00 N ATOM 820 CA TYR A 72 6.352 -1.237 -1.654 1.00 0.00 C ATOM 821 C TYR A 72 5.163 -1.958 -1.047 1.00 0.00 C ATOM 822 O TYR A 72 5.338 -2.863 -0.239 1.00 0.00 O ATOM 823 CB TYR A 72 7.106 -2.147 -2.640 1.00 0.00 C ATOM 824 CG TYR A 72 6.488 -2.237 -4.018 1.00 0.00 C ATOM 825 CD1 TYR A 72 6.901 -1.377 -5.024 1.00 0.00 C ATOM 826 CD2 TYR A 72 5.510 -3.170 -4.318 1.00 0.00 C ATOM 827 CE1 TYR A 72 6.358 -1.439 -6.289 1.00 0.00 C ATOM 828 CE2 TYR A 72 4.959 -3.240 -5.583 1.00 0.00 C ATOM 829 CZ TYR A 72 5.388 -2.370 -6.567 1.00 0.00 C ATOM 830 OH TYR A 72 4.842 -2.434 -7.837 1.00 0.00 O ATOM 0 H TYR A 72 7.430 -1.696 0.055 1.00 0.00 H new ATOM 0 HA TYR A 72 6.025 -0.355 -2.204 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.129 -1.784 -2.739 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.163 -3.150 -2.216 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.664 -0.643 -4.812 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.173 -3.853 -3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.694 -0.759 -7.058 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.196 -3.972 -5.802 1.00 0.00 H new ATOM 0 HH TYR A 72 4.170 -3.147 -7.869 1.00 0.00 H new ATOM 840 N TRP A 73 3.983 -1.565 -1.393 1.00 0.00 N ATOM 841 CA TRP A 73 2.817 -2.096 -0.751 1.00 0.00 C ATOM 842 C TRP A 73 1.988 -2.936 -1.697 1.00 0.00 C ATOM 843 O TRP A 73 1.739 -2.544 -2.834 1.00 0.00 O ATOM 844 CB TRP A 73 1.988 -0.952 -0.170 1.00 0.00 C ATOM 845 CG TRP A 73 2.681 -0.201 0.936 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.552 0.842 0.816 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.536 -0.438 2.330 1.00 0.00 C ATOM 848 NE1 TRP A 73 3.939 1.274 2.060 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.327 0.504 3.005 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.800 -1.350 3.068 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.399 0.552 4.394 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.866 -1.306 4.437 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.659 -0.360 5.093 1.00 0.00 C ATOM 0 H TRP A 73 3.795 -0.875 -2.120 1.00 0.00 H new ATOM 0 HA TRP A 73 3.140 -2.753 0.056 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.738 -0.254 -0.969 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.048 -1.353 0.209 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.887 1.265 -0.119 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.580 2.045 2.247 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.183 -2.085 2.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.015 1.281 4.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.295 -2.015 5.019 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.687 -0.350 6.173 1.00 0.00 H new ATOM 864 N TYR A 74 1.601 -4.089 -1.234 1.00 0.00 N ATOM 865 CA TYR A 74 0.741 -4.980 -1.960 1.00 0.00 C ATOM 866 C TYR A 74 -0.592 -5.091 -1.261 1.00 0.00 C ATOM 867 O TYR A 74 -0.652 -5.151 -0.032 1.00 0.00 O ATOM 868 CB TYR A 74 1.362 -6.367 -2.135 1.00 0.00 C ATOM 869 CG TYR A 74 2.377 -6.483 -3.254 1.00 0.00 C ATOM 870 CD1 TYR A 74 3.731 -6.531 -2.993 1.00 0.00 C ATOM 871 CD2 TYR A 74 1.964 -6.569 -4.579 1.00 0.00 C ATOM 872 CE1 TYR A 74 4.652 -6.663 -4.017 1.00 0.00 C ATOM 873 CE2 TYR A 74 2.872 -6.695 -5.608 1.00 0.00 C ATOM 874 CZ TYR A 74 4.217 -6.745 -5.322 1.00 0.00 C ATOM 875 OH TYR A 74 5.134 -6.884 -6.343 1.00 0.00 O ATOM 0 H TYR A 74 1.881 -4.445 -0.320 1.00 0.00 H new ATOM 0 HA TYR A 74 0.599 -4.561 -2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.842 -6.653 -1.199 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.562 -7.085 -2.315 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.078 -6.464 -1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.909 -6.536 -4.807 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.708 -6.702 -3.794 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.531 -6.754 -6.631 1.00 0.00 H new ATOM 0 HH TYR A 74 4.663 -6.928 -7.202 1.00 0.00 H new ATOM 885 N LEU A 75 -1.640 -5.166 -2.033 1.00 0.00 N ATOM 886 CA LEU A 75 -2.987 -5.209 -1.511 1.00 0.00 C ATOM 887 C LEU A 75 -3.642 -6.433 -2.093 1.00 0.00 C ATOM 888 O LEU A 75 -3.372 -6.780 -3.253 1.00 0.00 O ATOM 889 CB LEU A 75 -3.768 -3.970 -2.003 1.00 0.00 C ATOM 890 CG LEU A 75 -3.049 -2.612 -1.907 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.917 -1.506 -2.460 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.643 -2.296 -0.485 1.00 0.00 C ATOM 0 H LEU A 75 -1.588 -5.200 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.978 -5.228 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.045 -4.135 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.695 -3.905 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.142 -2.681 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.389 -0.556 -2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.144 -1.710 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.845 -1.453 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.138 -1.330 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.530 -2.261 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.967 -3.069 -0.119 1.00 0.00 H new ATOM 904 N PHE A 76 -4.458 -7.097 -1.304 1.00 0.00 N ATOM 905 CA PHE A 76 -5.111 -8.323 -1.722 1.00 0.00 C ATOM 906 C PHE A 76 -6.571 -8.270 -1.371 1.00 0.00 C ATOM 907 O PHE A 76 -6.947 -7.763 -0.303 1.00 0.00 O ATOM 908 CB PHE A 76 -4.476 -9.530 -1.032 1.00 0.00 C ATOM 909 CG PHE A 76 -3.017 -9.691 -1.311 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.583 -10.501 -2.337 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.077 -9.021 -0.547 1.00 0.00 C ATOM 912 CE1 PHE A 76 -1.248 -10.636 -2.599 1.00 0.00 C ATOM 913 CE2 PHE A 76 -0.742 -9.156 -0.808 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.325 -9.963 -1.836 1.00 0.00 C ATOM 0 H PHE A 76 -4.689 -6.804 -0.355 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.993 -8.424 -2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.622 -9.439 0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.998 -10.433 -1.349 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.303 -11.034 -2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.402 -8.385 0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.919 -11.273 -3.407 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.017 -8.628 -0.206 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.729 -10.069 -2.045 1.00 0.00 H new ATOM 924 N ASP A 77 -7.402 -8.807 -2.235 1.00 0.00 N ATOM 925 CA ASP A 77 -8.844 -8.775 -2.007 1.00 0.00 C ATOM 926 C ASP A 77 -9.301 -9.954 -1.198 1.00 0.00 C ATOM 927 O ASP A 77 -10.490 -10.075 -0.885 1.00 0.00 O ATOM 928 CB ASP A 77 -9.660 -8.663 -3.302 1.00 0.00 C ATOM 929 CG ASP A 77 -9.909 -9.959 -4.030 1.00 0.00 C ATOM 930 OD1 ASP A 77 -8.973 -10.698 -4.299 1.00 0.00 O ATOM 931 OD2 ASP A 77 -11.075 -10.220 -4.396 1.00 0.00 O ATOM 0 H ASP A 77 -7.116 -9.270 -3.098 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.031 -7.866 -1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.622 -8.209 -3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.144 -7.981 -3.978 1.00 0.00 H new ATOM 936 N ASN A 78 -8.389 -10.805 -0.819 1.00 0.00 N ATOM 937 CA ASN A 78 -8.727 -11.883 0.038 1.00 0.00 C ATOM 938 C ASN A 78 -7.662 -12.020 1.103 1.00 0.00 C ATOM 939 O ASN A 78 -6.550 -11.521 0.932 1.00 0.00 O ATOM 940 CB ASN A 78 -8.967 -13.171 -0.717 1.00 0.00 C ATOM 941 CG ASN A 78 -9.822 -14.071 0.111 1.00 0.00 C ATOM 942 OD1 ASN A 78 -9.350 -14.944 0.820 1.00 0.00 O ATOM 943 ND2 ASN A 78 -11.077 -13.804 0.087 1.00 0.00 N ATOM 0 H ASN A 78 -7.408 -10.765 -1.095 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.678 -11.662 0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.453 -12.963 -1.670 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.018 -13.657 -0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.722 -14.331 0.676 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.430 -13.065 -0.521 1.00 0.00 H new ATOM 950 N VAL A 79 -8.013 -12.626 2.215 1.00 0.00 N ATOM 951 CA VAL A 79 -7.128 -12.726 3.357 1.00 0.00 C ATOM 952 C VAL A 79 -5.967 -13.655 3.084 1.00 0.00 C ATOM 953 O VAL A 79 -5.987 -14.411 2.113 1.00 0.00 O ATOM 954 CB VAL A 79 -7.877 -13.201 4.621 1.00 0.00 C ATOM 955 CG1 VAL A 79 -8.993 -12.230 4.965 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.418 -14.617 4.431 1.00 0.00 C ATOM 0 H VAL A 79 -8.923 -13.065 2.355 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.742 -11.722 3.534 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.175 -13.224 5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.514 -12.576 5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.571 -11.242 5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.696 -12.174 4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.942 -14.931 5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.108 -14.633 3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.591 -15.299 4.236 1.00 0.00 H new ATOM 966 N ASN A 80 -4.956 -13.571 3.926 1.00 0.00 N ATOM 967 CA ASN A 80 -3.763 -14.406 3.840 1.00 0.00 C ATOM 968 C ASN A 80 -3.045 -14.218 2.517 1.00 0.00 C ATOM 969 O ASN A 80 -2.365 -15.113 2.022 1.00 0.00 O ATOM 970 CB ASN A 80 -4.103 -15.882 4.126 1.00 0.00 C ATOM 971 CG ASN A 80 -4.387 -16.125 5.601 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.480 -16.415 6.385 1.00 0.00 O ATOM 973 ND2 ASN A 80 -5.622 -15.996 6.003 1.00 0.00 N ATOM 0 H ASN A 80 -4.935 -12.911 4.704 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.066 -14.084 4.614 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.972 -16.175 3.536 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.274 -16.514 3.807 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.856 -16.136 6.986 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.354 -15.755 5.334 1.00 0.00 H new ATOM 980 N TYR A 81 -3.160 -12.993 1.994 1.00 0.00 N ATOM 981 CA TYR A 81 -2.523 -12.551 0.759 1.00 0.00 C ATOM 982 C TYR A 81 -2.991 -13.369 -0.443 1.00 0.00 C ATOM 983 O TYR A 81 -2.204 -13.674 -1.348 1.00 0.00 O ATOM 984 CB TYR A 81 -0.987 -12.591 0.869 1.00 0.00 C ATOM 985 CG TYR A 81 -0.418 -11.888 2.090 1.00 0.00 C ATOM 986 CD1 TYR A 81 -0.967 -10.707 2.567 1.00 0.00 C ATOM 987 CD2 TYR A 81 0.684 -12.406 2.748 1.00 0.00 C ATOM 988 CE1 TYR A 81 -0.435 -10.069 3.660 1.00 0.00 C ATOM 989 CE2 TYR A 81 1.222 -11.775 3.842 1.00 0.00 C ATOM 990 CZ TYR A 81 0.665 -10.609 4.297 1.00 0.00 C ATOM 991 OH TYR A 81 1.230 -9.966 5.379 1.00 0.00 O ATOM 0 H TYR A 81 -3.718 -12.262 2.436 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.827 -11.516 0.602 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.665 -13.632 0.883 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.561 -12.138 -0.026 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.827 -10.282 2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.129 -13.324 2.394 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.874 -9.150 4.020 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.081 -12.196 4.342 1.00 0.00 H new ATOM 0 HH TYR A 81 0.538 -9.465 5.859 1.00 0.00 H new ATOM 1001 N THR A 82 -4.260 -13.681 -0.485 1.00 0.00 N ATOM 1002 CA THR A 82 -4.777 -14.440 -1.588 1.00 0.00 C ATOM 1003 C THR A 82 -5.713 -13.577 -2.425 1.00 0.00 C ATOM 1004 O THR A 82 -6.044 -12.441 -2.039 1.00 0.00 O ATOM 1005 CB THR A 82 -5.503 -15.733 -1.117 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.590 -15.411 -0.242 1.00 0.00 O ATOM 1007 CG2 THR A 82 -4.545 -16.652 -0.387 1.00 0.00 C ATOM 0 H THR A 82 -4.946 -13.424 0.224 1.00 0.00 H new ATOM 0 HA THR A 82 -3.931 -14.750 -2.201 1.00 0.00 H new ATOM 0 HB THR A 82 -5.885 -16.238 -2.004 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.238 -15.050 0.598 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.074 -17.549 -0.067 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.729 -16.931 -1.054 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.142 -16.138 0.486 1.00 0.00 H new ATOM 1015 N GLY A 83 -6.119 -14.090 -3.556 1.00 0.00 N ATOM 1016 CA GLY A 83 -7.031 -13.379 -4.394 1.00 0.00 C ATOM 1017 C GLY A 83 -6.325 -12.543 -5.426 1.00 0.00 C ATOM 1018 O GLY A 83 -5.415 -13.020 -6.120 1.00 0.00 O ATOM 0 H GLY A 83 -5.829 -15.000 -3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.690 -14.089 -4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.661 -12.737 -3.779 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.754 -11.335 -5.550 1.00 0.00 N ATOM 1023 CA ARG A 84 -6.206 -10.369 -6.472 1.00 0.00 C ATOM 1024 C ARG A 84 -5.085 -9.622 -5.794 1.00 0.00 C ATOM 1025 O ARG A 84 -5.128 -9.420 -4.581 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.300 -9.405 -6.872 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.422 -10.045 -7.662 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.627 -9.127 -7.716 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.718 -9.662 -8.535 1.00 0.00 N ATOM 1030 CZ ARG A 84 -11.989 -9.845 -8.122 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -12.291 -9.880 -6.819 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -12.937 -10.091 -9.009 1.00 0.00 N ATOM 0 H ARG A 84 -7.527 -10.967 -4.995 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.818 -10.869 -7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.716 -8.949 -5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.864 -8.601 -7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.081 -10.267 -8.673 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.701 -10.994 -7.204 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.991 -8.955 -6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.322 -8.159 -8.114 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.498 -9.917 -9.498 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.555 -9.767 -6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.257 -10.019 -6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.706 -10.142 -10.001 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.900 -10.230 -8.701 1.00 0.00 H new ATOM 1046 N ILE A 85 -4.111 -9.195 -6.558 1.00 0.00 N ATOM 1047 CA ILE A 85 -2.952 -8.550 -5.994 1.00 0.00 C ATOM 1048 C ILE A 85 -2.729 -7.185 -6.641 1.00 0.00 C ATOM 1049 O ILE A 85 -2.932 -7.007 -7.834 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.682 -9.448 -6.153 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.499 -8.860 -5.396 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.310 -9.602 -7.626 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.725 -9.750 -5.405 1.00 0.00 C ATOM 0 H ILE A 85 -4.098 -9.283 -7.574 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.131 -8.401 -4.929 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.919 -10.427 -5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.241 -7.896 -5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.795 -8.673 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.424 -10.230 -7.714 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.138 -10.065 -8.164 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.103 -8.621 -8.053 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.529 -9.269 -4.848 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.483 -10.706 -4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.046 -9.917 -6.433 1.00 0.00 H new ATOM 1065 N THR A 86 -2.420 -6.219 -5.848 1.00 0.00 N ATOM 1066 CA THR A 86 -2.105 -4.899 -6.347 1.00 0.00 C ATOM 1067 C THR A 86 -0.825 -4.381 -5.707 1.00 0.00 C ATOM 1068 O THR A 86 -0.711 -4.389 -4.499 1.00 0.00 O ATOM 1069 CB THR A 86 -3.292 -3.945 -6.125 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.416 -4.467 -6.833 1.00 0.00 O ATOM 1071 CG2 THR A 86 -2.996 -2.542 -6.623 1.00 0.00 C ATOM 0 H THR A 86 -2.375 -6.308 -4.833 1.00 0.00 H new ATOM 0 HA THR A 86 -1.930 -4.955 -7.421 1.00 0.00 H new ATOM 0 HB THR A 86 -3.490 -3.877 -5.055 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.081 -4.798 -6.193 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.861 -1.903 -6.446 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.134 -2.141 -6.090 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.780 -2.573 -7.691 1.00 0.00 H new ATOM 1079 N GLY A 87 0.128 -3.981 -6.515 1.00 0.00 N ATOM 1080 CA GLY A 87 1.376 -3.464 -5.997 1.00 0.00 C ATOM 1081 C GLY A 87 1.544 -1.987 -6.259 1.00 0.00 C ATOM 1082 O GLY A 87 1.447 -1.541 -7.404 1.00 0.00 O ATOM 0 H GLY A 87 0.065 -4.003 -7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.423 -3.647 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.206 -4.007 -6.450 1.00 0.00 H new ATOM 1086 N LEU A 88 1.766 -1.233 -5.212 1.00 0.00 N ATOM 1087 CA LEU A 88 1.974 0.201 -5.301 1.00 0.00 C ATOM 1088 C LEU A 88 3.363 0.560 -4.827 1.00 0.00 C ATOM 1089 O LEU A 88 3.888 -0.050 -3.885 1.00 0.00 O ATOM 1090 CB LEU A 88 0.910 0.955 -4.469 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.279 1.555 -5.234 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.148 2.788 -6.011 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -0.884 0.531 -6.177 1.00 0.00 C ATOM 0 H LEU A 88 1.809 -1.596 -4.260 1.00 0.00 H new ATOM 0 HA LEU A 88 1.873 0.501 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.518 0.268 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.409 1.762 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.034 1.846 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.710 3.197 -6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.536 3.537 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.925 2.517 -6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.724 0.978 -6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.131 0.208 -6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.232 -0.329 -5.605 1.00 0.00 H new ATOM 1105 N GLY A 89 3.941 1.554 -5.459 1.00 0.00 N ATOM 1106 CA GLY A 89 5.263 1.988 -5.109 1.00 0.00 C ATOM 1107 C GLY A 89 5.256 3.376 -4.537 1.00 0.00 C ATOM 1108 O GLY A 89 4.241 4.090 -4.649 1.00 0.00 O ATOM 0 H GLY A 89 3.510 2.077 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.693 1.297 -4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.901 1.961 -5.992 1.00 0.00 H new ATOM 1112 N HIS A 90 6.373 3.786 -3.957 1.00 0.00 N ATOM 1113 CA HIS A 90 6.452 5.091 -3.314 1.00 0.00 C ATOM 1114 C HIS A 90 6.293 6.227 -4.314 1.00 0.00 C ATOM 1115 O HIS A 90 6.944 6.250 -5.370 1.00 0.00 O ATOM 1116 CB HIS A 90 7.731 5.283 -2.456 1.00 0.00 C ATOM 1117 CG HIS A 90 9.043 5.299 -3.197 1.00 0.00 C ATOM 1118 ND1 HIS A 90 9.588 6.425 -3.794 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.941 4.320 -3.378 1.00 0.00 C ATOM 1120 CE1 HIS A 90 10.774 6.097 -4.294 1.00 0.00 C ATOM 1121 NE2 HIS A 90 11.046 4.826 -4.069 1.00 0.00 N ATOM 0 H HIS A 90 7.233 3.239 -3.917 1.00 0.00 H new ATOM 0 HA HIS A 90 5.610 5.123 -2.623 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.637 6.221 -1.909 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.768 4.484 -1.715 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.153 7.347 -3.841 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.828 3.300 -3.042 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.428 6.780 -4.815 1.00 0.00 H new ATOM 1129 N GLY A 91 5.403 7.127 -4.008 1.00 0.00 N ATOM 1130 CA GLY A 91 5.172 8.253 -4.852 1.00 0.00 C ATOM 1131 C GLY A 91 4.093 7.979 -5.854 1.00 0.00 C ATOM 1132 O GLY A 91 3.856 8.778 -6.752 1.00 0.00 O ATOM 0 H GLY A 91 4.822 7.097 -3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.894 9.114 -4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.094 8.514 -5.372 1.00 0.00 H new ATOM 1136 N THR A 92 3.447 6.853 -5.727 1.00 0.00 N ATOM 1137 CA THR A 92 2.415 6.492 -6.648 1.00 0.00 C ATOM 1138 C THR A 92 1.103 6.354 -5.891 1.00 0.00 C ATOM 1139 O THR A 92 1.093 5.945 -4.720 1.00 0.00 O ATOM 1140 CB THR A 92 2.774 5.156 -7.333 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.158 5.208 -7.743 1.00 0.00 O ATOM 1142 CG2 THR A 92 1.907 4.919 -8.569 1.00 0.00 C ATOM 0 H THR A 92 3.621 6.170 -4.990 1.00 0.00 H new ATOM 0 HA THR A 92 2.314 7.262 -7.412 1.00 0.00 H new ATOM 0 HB THR A 92 2.602 4.344 -6.627 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.402 4.365 -8.179 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.183 3.971 -9.030 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.857 4.889 -8.277 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.062 5.728 -9.283 1.00 0.00 H new ATOM 1150 N CYS A 93 0.019 6.696 -6.534 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.271 6.588 -5.932 1.00 0.00 C ATOM 1152 C CYS A 93 -2.225 5.995 -6.947 1.00 0.00 C ATOM 1153 O CYS A 93 -1.986 6.065 -8.149 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.836 7.951 -5.543 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.686 9.187 -4.794 1.00 0.00 S ATOM 0 H CYS A 93 0.011 7.056 -7.488 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.168 5.972 -5.039 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.271 8.399 -6.436 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.652 7.785 -4.839 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.260 5.389 -6.468 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.316 4.877 -7.297 1.00 0.00 C ATOM 1162 C ILE A 94 -5.396 5.938 -7.381 1.00 0.00 C ATOM 1163 O ILE A 94 -5.822 6.447 -6.342 1.00 0.00 O ATOM 1164 CB ILE A 94 -4.909 3.598 -6.683 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.805 2.586 -6.464 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -5.982 3.021 -7.585 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.268 1.278 -5.862 1.00 0.00 C ATOM 0 H ILE A 94 -3.404 5.229 -5.471 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.926 4.636 -8.286 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.368 3.843 -5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.321 2.381 -7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.050 3.025 -5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.389 2.117 -7.133 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.780 3.752 -7.715 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.550 2.779 -8.556 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.414 0.612 -5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.724 1.466 -4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.000 0.812 -6.522 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.809 6.281 -8.579 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.848 7.309 -8.771 1.00 0.00 C ATOM 1181 C ASP A 95 -8.203 6.787 -8.321 1.00 0.00 C ATOM 1182 O ASP A 95 -8.907 7.434 -7.533 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.939 7.746 -10.241 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.685 8.410 -10.764 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -5.612 9.645 -10.781 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -4.751 7.697 -11.202 1.00 0.00 O ATOM 0 H ASP A 95 -5.453 5.874 -9.444 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.568 8.171 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.159 6.873 -10.856 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.776 8.435 -10.353 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.537 5.590 -8.772 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.790 4.948 -8.421 1.00 0.00 C ATOM 1193 C ASP A 96 -9.549 3.523 -8.074 1.00 0.00 C ATOM 1194 O ASP A 96 -9.518 2.651 -8.959 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.836 4.959 -9.542 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.342 6.304 -9.969 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -10.762 6.910 -10.889 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -12.370 6.748 -9.446 1.00 0.00 O ATOM 0 H ASP A 96 -7.946 5.036 -9.392 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.179 5.525 -7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.408 4.463 -10.413 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.688 4.360 -9.220 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.349 3.256 -6.816 1.00 0.00 N ATOM 1204 CA PHE A 97 -9.155 1.900 -6.361 1.00 0.00 C ATOM 1205 C PHE A 97 -10.421 1.096 -6.590 1.00 0.00 C ATOM 1206 O PHE A 97 -10.375 -0.068 -6.931 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.727 1.842 -4.901 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.385 0.456 -4.479 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -9.182 -0.241 -3.603 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -7.269 -0.158 -4.996 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -8.862 -1.528 -3.251 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -6.941 -1.439 -4.649 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.735 -2.125 -3.777 1.00 0.00 C ATOM 0 H PHE A 97 -9.315 3.960 -6.079 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.344 1.462 -6.942 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.865 2.491 -4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.530 2.226 -4.272 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -10.064 0.226 -3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.640 0.381 -5.689 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -9.492 -2.073 -2.563 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.059 -1.905 -5.063 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.481 -3.137 -3.498 1.00 0.00 H new ATOM 1223 N THR A 98 -11.542 1.776 -6.489 1.00 0.00 N ATOM 1224 CA THR A 98 -12.839 1.169 -6.646 1.00 0.00 C ATOM 1225 C THR A 98 -13.014 0.616 -8.085 1.00 0.00 C ATOM 1226 O THR A 98 -13.751 -0.345 -8.312 1.00 0.00 O ATOM 1227 CB THR A 98 -13.967 2.200 -6.284 1.00 0.00 C ATOM 1228 OG1 THR A 98 -15.260 1.601 -6.352 1.00 0.00 O ATOM 1229 CG2 THR A 98 -13.928 3.420 -7.197 1.00 0.00 C ATOM 0 H THR A 98 -11.575 2.777 -6.293 1.00 0.00 H new ATOM 0 HA THR A 98 -12.920 0.326 -5.959 1.00 0.00 H new ATOM 0 HB THR A 98 -13.777 2.522 -5.260 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.941 2.266 -6.120 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.723 4.110 -6.916 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.963 3.918 -7.098 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.070 3.105 -8.231 1.00 0.00 H new ATOM 1237 N LYS A 99 -12.301 1.212 -9.039 1.00 0.00 N ATOM 1238 CA LYS A 99 -12.356 0.785 -10.421 1.00 0.00 C ATOM 1239 C LYS A 99 -11.215 -0.187 -10.728 1.00 0.00 C ATOM 1240 O LYS A 99 -11.177 -0.788 -11.790 1.00 0.00 O ATOM 1241 CB LYS A 99 -12.273 1.991 -11.360 1.00 0.00 C ATOM 1242 CG LYS A 99 -13.285 3.094 -11.066 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.714 2.624 -11.171 1.00 0.00 C ATOM 1244 CE LYS A 99 -15.676 3.736 -10.789 1.00 0.00 C ATOM 1245 NZ LYS A 99 -17.088 3.337 -10.928 1.00 0.00 N ATOM 0 H LYS A 99 -11.675 1.999 -8.869 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.307 0.277 -10.581 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.269 2.412 -11.302 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.416 1.648 -12.385 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.109 3.484 -10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.127 3.919 -11.761 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.919 2.293 -12.189 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.868 1.764 -10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.487 4.037 -9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.485 4.607 -11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -17.702 4.131 -10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -17.279 3.075 -11.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -17.281 2.522 -10.311 1.00 0.00 H new ATOM 1259 N SER A 100 -10.312 -0.374 -9.776 1.00 0.00 N ATOM 1260 CA SER A 100 -9.123 -1.220 -9.963 1.00 0.00 C ATOM 1261 C SER A 100 -9.439 -2.707 -9.694 1.00 0.00 C ATOM 1262 O SER A 100 -8.620 -3.463 -9.142 1.00 0.00 O ATOM 1263 CB SER A 100 -7.997 -0.725 -9.048 1.00 0.00 C ATOM 1264 OG SER A 100 -7.656 0.627 -9.350 1.00 0.00 O ATOM 0 H SER A 100 -10.375 0.052 -8.851 1.00 0.00 H new ATOM 0 HA SER A 100 -8.801 -1.145 -11.002 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.308 -0.802 -8.006 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.120 -1.361 -9.166 1.00 0.00 H new ATOM 0 HG SER A 100 -8.421 1.208 -9.158 1.00 0.00 H new ATOM 1270 N GLY A 101 -10.600 -3.126 -10.131 1.00 0.00 N ATOM 1271 CA GLY A 101 -11.025 -4.473 -9.948 1.00 0.00 C ATOM 1272 C GLY A 101 -11.739 -4.625 -8.649 1.00 0.00 C ATOM 1273 O GLY A 101 -12.972 -4.592 -8.600 1.00 0.00 O ATOM 0 H GLY A 101 -11.271 -2.535 -10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.682 -4.767 -10.767 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.163 -5.139 -9.975 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.983 -4.704 -7.600 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.516 -4.901 -6.292 1.00 0.00 C ATOM 1279 C PHE A 102 -11.385 -3.633 -5.497 1.00 0.00 C ATOM 1280 O PHE A 102 -10.442 -2.882 -5.693 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.804 -6.067 -5.580 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.316 -5.889 -5.300 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.868 -5.584 -4.021 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.373 -6.078 -6.297 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -7.521 -5.477 -3.747 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -7.022 -5.961 -6.024 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.601 -5.665 -4.747 1.00 0.00 C ATOM 0 H PHE A 102 -9.966 -4.632 -7.630 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.572 -5.159 -6.377 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.310 -6.247 -4.632 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.932 -6.965 -6.185 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.586 -5.428 -3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -8.696 -6.319 -7.299 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.190 -5.245 -2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.298 -6.102 -6.812 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.546 -5.581 -4.532 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.340 -3.376 -4.641 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.270 -2.207 -3.793 1.00 0.00 C ATOM 1299 C LYS A 103 -12.118 -2.654 -2.339 1.00 0.00 C ATOM 1300 O LYS A 103 -11.864 -1.857 -1.462 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.515 -1.275 -3.967 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.768 -1.628 -3.140 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.318 -3.013 -3.426 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.446 -3.366 -2.479 1.00 0.00 C ATOM 1305 NZ LYS A 103 -17.683 -2.594 -2.741 1.00 0.00 N ATOM 0 H LYS A 103 -13.171 -3.953 -4.511 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.402 -1.618 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.216 -0.258 -3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.793 -1.272 -5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.525 -1.555 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.545 -0.890 -3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.677 -3.059 -4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.520 -3.749 -3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.664 -4.431 -2.563 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.122 -3.187 -1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -18.419 -2.877 -2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.487 -1.578 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -18.012 -2.784 -3.709 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.296 -3.948 -2.111 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.237 -4.479 -0.780 1.00 0.00 C ATOM 1321 C GLY A 104 -10.952 -5.209 -0.514 1.00 0.00 C ATOM 1322 O GLY A 104 -10.719 -6.290 -1.068 1.00 0.00 O ATOM 0 H GLY A 104 -12.482 -4.639 -2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.346 -3.666 -0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.076 -5.157 -0.624 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.124 -4.637 0.317 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.854 -5.235 0.667 1.00 0.00 C ATOM 1328 C ILE A 105 -9.017 -6.006 1.922 1.00 0.00 C ATOM 1329 O ILE A 105 -9.388 -5.486 2.969 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.762 -4.152 0.828 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.627 -3.376 -0.462 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.424 -4.770 1.202 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.849 -2.101 -0.313 1.00 0.00 C ATOM 0 H ILE A 105 -10.306 -3.743 0.773 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.536 -5.904 -0.133 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.060 -3.481 1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.139 -4.005 -1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.621 -3.144 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.677 -3.983 1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.522 -5.307 2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.112 -5.463 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.791 -1.595 -1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.347 -1.453 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.843 -2.328 0.039 1.00 0.00 H new ATOM 1345 N SER A 106 -8.829 -7.248 1.750 1.00 0.00 N ATOM 1346 CA SER A 106 -8.879 -8.221 2.744 1.00 0.00 C ATOM 1347 C SER A 106 -7.546 -8.422 3.505 1.00 0.00 C ATOM 1348 O SER A 106 -7.546 -8.863 4.648 1.00 0.00 O ATOM 1349 CB SER A 106 -9.376 -9.448 2.107 1.00 0.00 C ATOM 1350 OG SER A 106 -10.734 -9.344 1.717 1.00 0.00 O ATOM 0 H SER A 106 -8.619 -7.639 0.832 1.00 0.00 H new ATOM 0 HA SER A 106 -9.554 -7.900 3.537 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.766 -9.672 1.232 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.262 -10.284 2.797 1.00 0.00 H new ATOM 0 HG SER A 106 -10.834 -9.657 0.794 1.00 0.00 H new ATOM 1356 N SER A 107 -6.419 -8.170 2.843 1.00 0.00 N ATOM 1357 CA SER A 107 -5.115 -8.295 3.483 1.00 0.00 C ATOM 1358 C SER A 107 -4.109 -7.376 2.782 1.00 0.00 C ATOM 1359 O SER A 107 -4.304 -7.027 1.611 1.00 0.00 O ATOM 1360 CB SER A 107 -4.626 -9.761 3.473 1.00 0.00 C ATOM 1361 OG SER A 107 -4.518 -10.303 2.171 1.00 0.00 O ATOM 0 H SER A 107 -6.384 -7.879 1.866 1.00 0.00 H new ATOM 0 HA SER A 107 -5.206 -7.991 4.526 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.655 -9.817 3.965 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.315 -10.371 4.058 1.00 0.00 H new ATOM 0 HG SER A 107 -5.405 -10.572 1.854 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.059 -6.981 3.477 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.072 -6.056 2.935 1.00 0.00 C ATOM 1369 C ILE A 108 -0.686 -6.575 3.252 1.00 0.00 C ATOM 1370 O ILE A 108 -0.409 -6.912 4.396 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.195 -4.631 3.558 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.614 -4.089 3.426 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.198 -3.678 2.917 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.763 -2.711 3.984 1.00 0.00 C ATOM 0 H ILE A 108 -2.863 -7.289 4.430 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.247 -5.986 1.861 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.965 -4.711 4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.899 -4.083 2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.303 -4.760 3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.300 -2.690 3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.185 -4.048 3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.393 -3.613 1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.794 -2.378 3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.507 -2.718 5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.097 -2.030 3.454 1.00 0.00 H new ATOM 1386 N LYS A 109 0.175 -6.624 2.271 1.00 0.00 N ATOM 1387 CA LYS A 109 1.521 -7.100 2.480 1.00 0.00 C ATOM 1388 C LYS A 109 2.491 -5.983 2.176 1.00 0.00 C ATOM 1389 O LYS A 109 2.424 -5.380 1.102 1.00 0.00 O ATOM 1390 CB LYS A 109 1.832 -8.287 1.562 1.00 0.00 C ATOM 1391 CG LYS A 109 3.166 -8.969 1.866 1.00 0.00 C ATOM 1392 CD LYS A 109 3.602 -9.937 0.760 1.00 0.00 C ATOM 1393 CE LYS A 109 2.521 -10.937 0.388 1.00 0.00 C ATOM 1394 NZ LYS A 109 2.992 -11.918 -0.602 1.00 0.00 N ATOM 0 H LYS A 109 -0.031 -6.339 1.313 1.00 0.00 H new ATOM 0 HA LYS A 109 1.617 -7.423 3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.031 -9.021 1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.838 -7.943 0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.935 -8.209 2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.085 -9.512 2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.882 -9.366 -0.125 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.492 -10.476 1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.187 -11.459 1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.658 -10.405 -0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.223 -12.581 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.287 -11.423 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.800 -12.445 -0.212 1.00 0.00 H new ATOM 1408 N ARG A 110 3.357 -5.682 3.100 1.00 0.00 N ATOM 1409 CA ARG A 110 4.356 -4.690 2.855 1.00 0.00 C ATOM 1410 C ARG A 110 5.626 -5.371 2.420 1.00 0.00 C ATOM 1411 O ARG A 110 6.071 -6.350 3.035 1.00 0.00 O ATOM 1412 CB ARG A 110 4.652 -3.808 4.071 1.00 0.00 C ATOM 1413 CG ARG A 110 5.462 -2.565 3.695 1.00 0.00 C ATOM 1414 CD ARG A 110 5.879 -1.727 4.895 1.00 0.00 C ATOM 1415 NE ARG A 110 6.988 -2.305 5.639 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.571 -1.741 6.705 1.00 0.00 C ATOM 1417 NH1 ARG A 110 7.058 -0.639 7.252 1.00 0.00 N ATOM 1418 NH2 ARG A 110 8.643 -2.301 7.239 1.00 0.00 N ATOM 0 H ARG A 110 3.390 -6.109 4.026 1.00 0.00 H new ATOM 0 HA ARG A 110 3.967 -4.034 2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.714 -3.503 4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.201 -4.387 4.814 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.354 -2.873 3.150 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.872 -1.947 3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.159 -0.730 4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 110 5.025 -1.608 5.562 1.00 0.00 H new ATOM 0 HE ARG A 110 7.348 -3.206 5.326 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.216 -0.219 6.859 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.508 -0.216 8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 110 9.023 -3.159 6.839 1.00 0.00 H new ATOM 0 HH22 ARG A 110 9.090 -1.875 8.051 1.00 0.00 H new ATOM 1432 N CYS A 111 6.160 -4.902 1.359 1.00 0.00 N ATOM 1433 CA CYS A 111 7.376 -5.383 0.838 1.00 0.00 C ATOM 1434 C CYS A 111 8.332 -4.221 0.734 1.00 0.00 C ATOM 1435 O CYS A 111 7.951 -3.061 0.955 1.00 0.00 O ATOM 1436 CB CYS A 111 7.122 -5.982 -0.535 1.00 0.00 C ATOM 1437 SG CYS A 111 5.919 -7.352 -0.561 1.00 0.00 S ATOM 0 H CYS A 111 5.748 -4.147 0.811 1.00 0.00 H new ATOM 0 HA CYS A 111 7.801 -6.152 1.483 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.768 -5.194 -1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 111 8.068 -6.340 -0.940 1.00 0.00 H new ATOM 1442 N ILE A 112 9.547 -4.513 0.450 1.00 0.00 N ATOM 1443 CA ILE A 112 10.540 -3.513 0.246 1.00 0.00 C ATOM 1444 C ILE A 112 11.184 -3.719 -1.099 1.00 0.00 C ATOM 1445 O ILE A 112 11.384 -4.851 -1.531 1.00 0.00 O ATOM 1446 CB ILE A 112 11.630 -3.515 1.341 1.00 0.00 C ATOM 1447 CG1 ILE A 112 12.119 -4.934 1.593 1.00 0.00 C ATOM 1448 CG2 ILE A 112 11.112 -2.875 2.627 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.474 -5.006 2.237 1.00 0.00 C ATOM 0 H ILE A 112 9.890 -5.468 0.350 1.00 0.00 H new ATOM 0 HA ILE A 112 10.039 -2.546 0.294 1.00 0.00 H new ATOM 0 HB ILE A 112 12.473 -2.918 0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.398 -5.449 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.149 -5.471 0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.898 -2.889 3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.818 -1.845 2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.250 -3.435 2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.752 -6.050 2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.209 -4.522 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.446 -4.499 3.202 1.00 0.00 H new ATOM 1461 N GLN A 113 11.481 -2.657 -1.753 1.00 0.00 N ATOM 1462 CA GLN A 113 12.097 -2.708 -3.036 1.00 0.00 C ATOM 1463 C GLN A 113 13.460 -2.082 -2.906 1.00 0.00 C ATOM 1464 O GLN A 113 13.594 -0.996 -2.341 1.00 0.00 O ATOM 1465 CB GLN A 113 11.233 -2.001 -4.080 1.00 0.00 C ATOM 1466 CG GLN A 113 11.675 -2.249 -5.511 1.00 0.00 C ATOM 1467 CD GLN A 113 10.687 -1.725 -6.528 1.00 0.00 C ATOM 1468 OE1 GLN A 113 10.001 -0.719 -6.309 1.00 0.00 O ATOM 1469 NE2 GLN A 113 10.576 -2.415 -7.638 1.00 0.00 N ATOM 0 H GLN A 113 11.303 -1.713 -1.412 1.00 0.00 H new ATOM 0 HA GLN A 113 12.201 -3.738 -3.379 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.200 -2.330 -3.966 1.00 0.00 H new ATOM 0 HB3 GLN A 113 11.249 -0.929 -3.885 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.643 -1.776 -5.675 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.813 -3.319 -5.663 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.158 -3.240 -7.786 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.908 -2.127 -8.353 1.00 0.00 H new ATOM 1478 N THR A 114 14.456 -2.775 -3.360 1.00 0.00 N ATOM 1479 CA THR A 114 15.815 -2.339 -3.190 1.00 0.00 C ATOM 1480 C THR A 114 16.235 -1.408 -4.330 1.00 0.00 C ATOM 1481 O THR A 114 15.460 -1.166 -5.276 1.00 0.00 O ATOM 1482 CB THR A 114 16.760 -3.566 -3.166 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.746 -4.215 -4.450 1.00 0.00 O ATOM 1484 CG2 THR A 114 16.307 -4.572 -2.112 1.00 0.00 C ATOM 0 H THR A 114 14.355 -3.659 -3.859 1.00 0.00 H new ATOM 0 HA THR A 114 15.883 -1.797 -2.247 1.00 0.00 H new ATOM 0 HB THR A 114 17.765 -3.217 -2.928 1.00 0.00 H new ATOM 0 HG1 THR A 114 15.945 -3.944 -4.945 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.983 -5.427 -2.110 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.317 -4.099 -1.130 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.296 -4.909 -2.342 1.00 0.00 H new ATOM 1492 N LYS A 115 17.468 -0.925 -4.258 1.00 0.00 N ATOM 1493 CA LYS A 115 18.075 -0.115 -5.305 1.00 0.00 C ATOM 1494 C LYS A 115 18.189 -0.952 -6.589 1.00 0.00 C ATOM 1495 O LYS A 115 18.142 -0.427 -7.706 1.00 0.00 O ATOM 1496 CB LYS A 115 19.473 0.347 -4.847 1.00 0.00 C ATOM 1497 CG LYS A 115 20.253 1.164 -5.851 1.00 0.00 C ATOM 1498 CD LYS A 115 19.625 2.502 -6.146 1.00 0.00 C ATOM 1499 CE LYS A 115 20.397 3.210 -7.240 1.00 0.00 C ATOM 1500 NZ LYS A 115 21.812 3.484 -6.870 1.00 0.00 N ATOM 0 H LYS A 115 18.083 -1.087 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 115 17.458 0.762 -5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.361 0.935 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 115 20.060 -0.534 -4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 115 21.264 1.320 -5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 115 20.341 0.599 -6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 115 18.588 2.366 -6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 115 19.614 3.114 -5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 115 20.375 2.602 -8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.900 4.151 -7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 22.235 4.127 -7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 21.846 3.926 -5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 22.345 2.591 -6.853 1.00 0.00 H new ATOM 1514 N ASP A 116 18.282 -2.263 -6.415 1.00 0.00 N ATOM 1515 CA ASP A 116 18.405 -3.185 -7.539 1.00 0.00 C ATOM 1516 C ASP A 116 17.032 -3.465 -8.165 1.00 0.00 C ATOM 1517 O ASP A 116 16.923 -4.041 -9.238 1.00 0.00 O ATOM 1518 CB ASP A 116 19.062 -4.493 -7.066 1.00 0.00 C ATOM 1519 CG ASP A 116 19.178 -5.544 -8.151 1.00 0.00 C ATOM 1520 OD1 ASP A 116 18.383 -6.488 -8.165 1.00 0.00 O ATOM 1521 OD2 ASP A 116 20.074 -5.443 -9.010 1.00 0.00 O ATOM 0 H ASP A 116 18.275 -2.716 -5.501 1.00 0.00 H new ATOM 0 HA ASP A 116 19.034 -2.728 -8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 116 20.057 -4.271 -6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 116 18.483 -4.901 -6.238 1.00 0.00 H new ATOM 1526 N GLY A 117 15.989 -3.002 -7.518 1.00 0.00 N ATOM 1527 CA GLY A 117 14.665 -3.129 -8.079 1.00 0.00 C ATOM 1528 C GLY A 117 13.944 -4.386 -7.659 1.00 0.00 C ATOM 1529 O GLY A 117 12.784 -4.592 -8.042 1.00 0.00 O ATOM 0 H GLY A 117 16.030 -2.538 -6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.071 -2.264 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.738 -3.109 -9.166 1.00 0.00 H new ATOM 1533 N LYS A 118 14.599 -5.224 -6.882 1.00 0.00 N ATOM 1534 CA LYS A 118 13.961 -6.435 -6.416 1.00 0.00 C ATOM 1535 C LYS A 118 13.050 -6.108 -5.255 1.00 0.00 C ATOM 1536 O LYS A 118 13.320 -5.183 -4.480 1.00 0.00 O ATOM 1537 CB LYS A 118 14.963 -7.520 -6.000 1.00 0.00 C ATOM 1538 CG LYS A 118 15.900 -7.110 -4.890 1.00 0.00 C ATOM 1539 CD LYS A 118 16.136 -8.233 -3.893 1.00 0.00 C ATOM 1540 CE LYS A 118 16.728 -9.480 -4.517 1.00 0.00 C ATOM 1541 NZ LYS A 118 16.716 -10.592 -3.554 1.00 0.00 N ATOM 0 H LYS A 118 15.559 -5.091 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 118 13.388 -6.839 -7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.411 -8.406 -5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.553 -7.805 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.853 -6.800 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.488 -6.245 -4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 118 16.803 -7.877 -3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 118 15.190 -8.489 -3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 118 16.160 -9.754 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 118 17.750 -9.282 -4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 16.898 -11.486 -4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 17.455 -10.439 -2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 15.787 -10.638 -3.089 1.00 0.00 H new ATOM 1555 N VAL A 119 11.991 -6.837 -5.146 1.00 0.00 N ATOM 1556 CA VAL A 119 11.027 -6.631 -4.109 1.00 0.00 C ATOM 1557 C VAL A 119 11.078 -7.813 -3.143 1.00 0.00 C ATOM 1558 O VAL A 119 10.815 -8.948 -3.529 1.00 0.00 O ATOM 1559 CB VAL A 119 9.588 -6.473 -4.692 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.590 -6.114 -3.610 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.554 -5.435 -5.804 1.00 0.00 C ATOM 0 H VAL A 119 11.764 -7.603 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 119 11.270 -5.708 -3.582 1.00 0.00 H new ATOM 0 HB VAL A 119 9.304 -7.437 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.598 -6.011 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.573 -6.900 -2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.880 -5.172 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.538 -5.348 -6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.877 -4.471 -5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 119 10.222 -5.742 -6.609 1.00 0.00 H new ATOM 1571 N GLU A 120 11.452 -7.544 -1.926 1.00 0.00 N ATOM 1572 CA GLU A 120 11.518 -8.541 -0.876 1.00 0.00 C ATOM 1573 C GLU A 120 10.290 -8.372 -0.002 1.00 0.00 C ATOM 1574 O GLU A 120 9.885 -7.245 0.262 1.00 0.00 O ATOM 1575 CB GLU A 120 12.783 -8.335 -0.041 1.00 0.00 C ATOM 1576 CG GLU A 120 14.081 -8.528 -0.806 1.00 0.00 C ATOM 1577 CD GLU A 120 14.295 -9.959 -1.218 1.00 0.00 C ATOM 1578 OE1 GLU A 120 14.157 -10.300 -2.409 1.00 0.00 O ATOM 1579 OE2 GLU A 120 14.600 -10.781 -0.347 1.00 0.00 O ATOM 0 H GLU A 120 11.727 -6.610 -1.621 1.00 0.00 H new ATOM 0 HA GLU A 120 11.548 -9.543 -1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.768 -7.328 0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.765 -9.028 0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.075 -7.894 -1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.917 -8.202 -0.187 1.00 0.00 H new ATOM 1586 N CYS A 121 9.708 -9.451 0.455 1.00 0.00 N ATOM 1587 CA CYS A 121 8.470 -9.360 1.206 1.00 0.00 C ATOM 1588 C CYS A 121 8.531 -10.150 2.500 1.00 0.00 C ATOM 1589 O CYS A 121 9.271 -11.137 2.613 1.00 0.00 O ATOM 1590 CB CYS A 121 7.309 -9.872 0.358 1.00 0.00 C ATOM 1591 SG CYS A 121 7.014 -8.940 -1.180 1.00 0.00 S ATOM 0 H CYS A 121 10.063 -10.398 0.325 1.00 0.00 H new ATOM 0 HA CYS A 121 8.318 -8.310 1.458 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.496 -10.915 0.103 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.400 -9.849 0.960 1.00 0.00 H new ATOM 1596 N ILE A 122 7.768 -9.714 3.475 1.00 0.00 N ATOM 1597 CA ILE A 122 7.692 -10.398 4.734 1.00 0.00 C ATOM 1598 C ILE A 122 6.230 -10.736 5.069 1.00 0.00 C ATOM 1599 O ILE A 122 5.322 -9.912 4.896 1.00 0.00 O ATOM 1600 CB ILE A 122 8.378 -9.578 5.889 1.00 0.00 C ATOM 1601 CG1 ILE A 122 8.342 -10.339 7.230 1.00 0.00 C ATOM 1602 CG2 ILE A 122 7.775 -8.184 6.036 1.00 0.00 C ATOM 1603 CD1 ILE A 122 9.101 -11.655 7.217 1.00 0.00 C ATOM 0 H ILE A 122 7.187 -8.878 3.413 1.00 0.00 H new ATOM 0 HA ILE A 122 8.247 -11.332 4.645 1.00 0.00 H new ATOM 0 HB ILE A 122 9.423 -9.455 5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 122 8.757 -9.700 8.009 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.303 -10.534 7.497 1.00 0.00 H new ATOM 0 HG21 ILE A 122 8.278 -7.653 6.844 1.00 0.00 H new ATOM 0 HG22 ILE A 122 7.903 -7.632 5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 122 6.713 -8.269 6.264 1.00 0.00 H new ATOM 0 HD11 ILE A 122 9.027 -12.127 8.196 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.672 -12.315 6.463 1.00 0.00 H new ATOM 0 HD13 ILE A 122 10.149 -11.468 6.983 1.00 0.00 H new ATOM 1615 N ASN A 123 6.008 -11.958 5.467 1.00 0.00 N ATOM 1616 CA ASN A 123 4.703 -12.411 5.888 1.00 0.00 C ATOM 1617 C ASN A 123 4.600 -12.212 7.382 1.00 0.00 C ATOM 1618 O ASN A 123 5.320 -12.847 8.147 1.00 0.00 O ATOM 1619 CB ASN A 123 4.495 -13.889 5.492 1.00 0.00 C ATOM 1620 CG ASN A 123 3.233 -14.517 6.073 1.00 0.00 C ATOM 1621 OD1 ASN A 123 2.146 -14.423 5.493 1.00 0.00 O ATOM 1622 ND2 ASN A 123 3.373 -15.198 7.185 1.00 0.00 N ATOM 0 H ASN A 123 6.731 -12.676 5.510 1.00 0.00 H new ATOM 0 HA ASN A 123 3.918 -11.838 5.394 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.456 -13.961 4.405 1.00 0.00 H new ATOM 0 HB3 ASN A 123 5.359 -14.467 5.819 1.00 0.00 H new ATOM 0 HD21 ASN A 123 2.569 -15.671 7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 123 4.286 -15.254 7.637 1.00 0.00 H new ATOM 1629 N GLN A 124 3.762 -11.297 7.786 1.00 0.00 N ATOM 1630 CA GLN A 124 3.629 -10.955 9.176 1.00 0.00 C ATOM 1631 C GLN A 124 2.261 -11.395 9.656 1.00 0.00 C ATOM 1632 O GLN A 124 2.109 -12.557 10.071 1.00 0.00 O ATOM 1633 CB GLN A 124 3.787 -9.438 9.363 1.00 0.00 C ATOM 1634 CG GLN A 124 5.073 -8.852 8.798 1.00 0.00 C ATOM 1635 CD GLN A 124 5.157 -7.346 8.990 1.00 0.00 C ATOM 1636 OE1 GLN A 124 4.700 -6.570 8.145 1.00 0.00 O ATOM 1637 NE2 GLN A 124 5.740 -6.916 10.078 1.00 0.00 N ATOM 1638 OXT GLN A 124 1.308 -10.590 9.571 1.00 0.00 O ATOM 0 H GLN A 124 3.153 -10.768 7.162 1.00 0.00 H new ATOM 0 HA GLN A 124 4.404 -11.458 9.755 1.00 0.00 H new ATOM 0 HB2 GLN A 124 2.940 -8.939 8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 124 3.739 -9.211 10.428 1.00 0.00 H new ATOM 0 HG2 GLN A 124 5.928 -9.325 9.281 1.00 0.00 H new ATOM 0 HG3 GLN A 124 5.139 -9.084 7.735 1.00 0.00 H new ATOM 0 HE21 GLN A 124 6.107 -7.582 10.757 1.00 0.00 H new ATOM 0 HE22 GLN A 124 5.827 -5.914 10.248 1.00 0.00 H new TER 1647 GLN A 124