USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 593 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 Single : A 5 SER OG : rot 180:sc= -0.0776 USER MOD Single : A 15 TYR OH : rot 18:sc= 0.829 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 11:sc= 0.29 USER MOD Single : A 22 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.39) USER MOD Single : A 25 CYS SG : rot -84:sc= -3.7! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 72:sc= 0.34 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 51 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.017) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0349) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS :FLIP no HE2:sc= -0.737 F(o=-1.8,f=-0.74) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00486) USER MOD Single : A 70 CYS SG : rot -166:sc= 0.778 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HE2:sc= -1.47 X(o=-1.5,f=-1) USER MOD Single : A 76 MET CE :methyl -144:sc= -2.54 (180deg=-4.41!) USER MOD ----------------------------------------------------------------- ATOM 41 N VAL A 3 0.423 -0.657 -14.415 1.00 0.00 N ATOM 42 CA VAL A 3 1.147 -0.892 -13.165 1.00 0.00 C ATOM 43 C VAL A 3 2.039 0.299 -12.814 1.00 0.00 C ATOM 44 O VAL A 3 2.893 0.706 -13.605 1.00 0.00 O ATOM 45 CB VAL A 3 2.003 -2.183 -13.233 1.00 0.00 C ATOM 46 CG1 VAL A 3 3.062 -2.085 -14.325 1.00 0.00 C ATOM 47 CG2 VAL A 3 2.643 -2.471 -11.882 1.00 0.00 C ATOM 0 HA VAL A 3 0.398 -1.017 -12.383 1.00 0.00 H new ATOM 0 HB VAL A 3 1.343 -3.013 -13.485 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.646 -3.005 -14.349 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.577 -1.938 -15.290 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.721 -1.242 -14.118 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.240 -3.381 -11.949 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.284 -1.636 -11.598 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.864 -2.602 -11.131 1.00 0.00 H new ATOM 57 N ARG A 4 1.824 0.861 -11.626 1.00 0.00 N ATOM 58 CA ARG A 4 2.597 2.012 -11.165 1.00 0.00 C ATOM 59 C ARG A 4 2.957 1.883 -9.685 1.00 0.00 C ATOM 60 O ARG A 4 2.409 1.039 -8.972 1.00 0.00 O ATOM 61 CB ARG A 4 1.818 3.309 -11.411 1.00 0.00 C ATOM 62 CG ARG A 4 0.488 3.381 -10.676 1.00 0.00 C ATOM 63 CD ARG A 4 -0.625 3.894 -11.575 1.00 0.00 C ATOM 64 NE ARG A 4 -0.728 5.354 -11.550 1.00 0.00 N ATOM 65 CZ ARG A 4 -1.683 6.046 -12.179 1.00 0.00 C ATOM 66 NH1 ARG A 4 -2.613 5.415 -12.891 1.00 0.00 N ATOM 67 NH2 ARG A 4 -1.705 7.371 -12.097 1.00 0.00 N ATOM 0 H ARG A 4 1.119 0.537 -10.964 1.00 0.00 H new ATOM 0 HA ARG A 4 3.526 2.042 -11.735 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.435 4.155 -11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.636 3.414 -12.481 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.226 2.392 -10.301 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.586 4.035 -9.809 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.446 3.562 -12.598 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.574 3.459 -11.260 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.029 5.875 -11.021 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.600 4.397 -12.959 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.339 5.949 -13.369 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.993 7.860 -11.554 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.434 7.900 -12.577 1.00 0.00 H new ATOM 81 N SER A 5 3.885 2.727 -9.231 1.00 0.00 N ATOM 82 CA SER A 5 4.328 2.716 -7.839 1.00 0.00 C ATOM 83 C SER A 5 3.748 3.897 -7.064 1.00 0.00 C ATOM 84 O SER A 5 3.791 5.036 -7.531 1.00 0.00 O ATOM 85 CB SER A 5 5.857 2.755 -7.770 1.00 0.00 C ATOM 86 OG SER A 5 6.429 1.634 -8.422 1.00 0.00 O ATOM 0 H SER A 5 4.345 3.429 -9.811 1.00 0.00 H new ATOM 0 HA SER A 5 3.967 1.795 -7.382 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.221 3.673 -8.232 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.176 2.775 -6.728 1.00 0.00 H new ATOM 0 HG SER A 5 7.406 1.685 -8.364 1.00 0.00 H new ATOM 92 N VAL A 6 3.214 3.617 -5.877 1.00 0.00 N ATOM 93 CA VAL A 6 2.633 4.657 -5.033 1.00 0.00 C ATOM 94 C VAL A 6 3.543 4.962 -3.842 1.00 0.00 C ATOM 95 O VAL A 6 4.002 4.048 -3.151 1.00 0.00 O ATOM 96 CB VAL A 6 1.231 4.248 -4.520 1.00 0.00 C ATOM 97 CG1 VAL A 6 0.565 5.395 -3.769 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.353 3.784 -5.676 1.00 0.00 C ATOM 0 H VAL A 6 3.172 2.679 -5.479 1.00 0.00 H new ATOM 0 HA VAL A 6 2.533 5.553 -5.646 1.00 0.00 H new ATOM 0 HB VAL A 6 1.356 3.418 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.418 5.079 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.180 5.676 -2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.456 6.251 -4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.629 3.500 -5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.243 4.594 -6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.816 2.925 -6.162 1.00 0.00 H new ATOM 108 N GLU A 7 3.803 6.250 -3.614 1.00 0.00 N ATOM 109 CA GLU A 7 4.663 6.683 -2.512 1.00 0.00 C ATOM 110 C GLU A 7 3.893 7.569 -1.534 1.00 0.00 C ATOM 111 O GLU A 7 3.438 8.655 -1.898 1.00 0.00 O ATOM 112 CB GLU A 7 5.880 7.442 -3.056 1.00 0.00 C ATOM 113 CG GLU A 7 6.700 6.648 -4.062 1.00 0.00 C ATOM 114 CD GLU A 7 7.081 7.464 -5.282 1.00 0.00 C ATOM 115 OE1 GLU A 7 7.889 8.407 -5.138 1.00 0.00 O ATOM 116 OE2 GLU A 7 6.572 7.161 -6.382 1.00 0.00 O ATOM 0 H GLU A 7 3.430 7.013 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 7 5.003 5.795 -1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.540 8.365 -3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.522 7.726 -2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.605 6.282 -3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.131 5.773 -4.378 1.00 0.00 H new ATOM 123 N VAL A 8 3.749 7.101 -0.292 1.00 0.00 N ATOM 124 CA VAL A 8 3.029 7.854 0.734 1.00 0.00 C ATOM 125 C VAL A 8 3.980 8.387 1.806 1.00 0.00 C ATOM 126 O VAL A 8 4.841 7.662 2.303 1.00 0.00 O ATOM 127 CB VAL A 8 1.937 6.999 1.414 1.00 0.00 C ATOM 128 CG1 VAL A 8 0.959 7.887 2.167 1.00 0.00 C ATOM 129 CG2 VAL A 8 1.202 6.139 0.393 1.00 0.00 C ATOM 0 H VAL A 8 4.121 6.206 0.026 1.00 0.00 H new ATOM 0 HA VAL A 8 2.555 8.692 0.222 1.00 0.00 H new ATOM 0 HB VAL A 8 2.423 6.334 2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.196 7.269 2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.494 8.451 2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.485 8.578 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.439 5.547 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.730 6.781 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.911 5.473 -0.099 1.00 0.00 H new ATOM 139 N ALA A 9 3.810 9.662 2.160 1.00 0.00 N ATOM 140 CA ALA A 9 4.636 10.306 3.172 1.00 0.00 C ATOM 141 C ALA A 9 4.041 10.116 4.562 1.00 0.00 C ATOM 142 O ALA A 9 3.182 10.889 4.995 1.00 0.00 O ATOM 143 CB ALA A 9 4.798 11.788 2.858 1.00 0.00 C ATOM 0 H ALA A 9 3.099 10.271 1.754 1.00 0.00 H new ATOM 0 HA ALA A 9 5.620 9.837 3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.418 12.256 3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.274 11.904 1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.818 12.266 2.842 1.00 0.00 H new ATOM 149 N ARG A 10 4.506 9.080 5.252 1.00 0.00 N ATOM 150 CA ARG A 10 4.035 8.760 6.603 1.00 0.00 C ATOM 151 C ARG A 10 4.038 10.000 7.497 1.00 0.00 C ATOM 152 O ARG A 10 5.079 10.627 7.702 1.00 0.00 O ATOM 153 CB ARG A 10 4.912 7.670 7.229 1.00 0.00 C ATOM 154 CG ARG A 10 4.188 6.832 8.269 1.00 0.00 C ATOM 155 CD ARG A 10 4.678 7.135 9.675 1.00 0.00 C ATOM 156 NE ARG A 10 3.828 6.527 10.698 1.00 0.00 N ATOM 157 CZ ARG A 10 3.790 5.216 10.960 1.00 0.00 C ATOM 158 NH1 ARG A 10 4.567 4.367 10.284 1.00 0.00 N ATOM 159 NH2 ARG A 10 2.977 4.753 11.903 1.00 0.00 N ATOM 0 H ARG A 10 5.216 8.439 4.897 1.00 0.00 H new ATOM 0 HA ARG A 10 3.011 8.396 6.521 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.282 7.015 6.440 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.782 8.136 7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.116 7.022 8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.337 5.774 8.052 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.699 6.770 9.789 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.707 8.214 9.823 1.00 0.00 H new ATOM 0 HE ARG A 10 3.226 7.142 11.246 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.196 4.717 9.561 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.532 3.369 10.490 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.383 5.397 12.426 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.946 3.754 12.104 1.00 0.00 H new ATOM 173 N GLY A 11 2.863 10.349 8.026 1.00 0.00 N ATOM 174 CA GLY A 11 2.746 11.512 8.892 1.00 0.00 C ATOM 175 C GLY A 11 3.429 11.306 10.232 1.00 0.00 C ATOM 176 O GLY A 11 4.590 11.680 10.406 1.00 0.00 O ATOM 0 H GLY A 11 1.990 9.845 7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.182 12.378 8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.692 11.736 9.055 1.00 0.00 H new ATOM 180 N ARG A 12 2.707 10.706 11.176 1.00 0.00 N ATOM 181 CA ARG A 12 3.248 10.443 12.510 1.00 0.00 C ATOM 182 C ARG A 12 2.693 9.143 13.078 1.00 0.00 C ATOM 183 O ARG A 12 3.452 8.258 13.479 1.00 0.00 O ATOM 184 CB ARG A 12 2.947 11.611 13.454 1.00 0.00 C ATOM 185 CG ARG A 12 4.066 12.641 13.520 1.00 0.00 C ATOM 186 CD ARG A 12 3.822 13.671 14.612 1.00 0.00 C ATOM 187 NE ARG A 12 4.369 13.247 15.901 1.00 0.00 N ATOM 188 CZ ARG A 12 3.997 13.763 17.075 1.00 0.00 C ATOM 189 NH1 ARG A 12 3.081 14.726 17.130 1.00 0.00 N ATOM 190 NH2 ARG A 12 4.542 13.313 18.202 1.00 0.00 N ATOM 0 H ARG A 12 1.746 10.392 11.043 1.00 0.00 H new ATOM 0 HA ARG A 12 4.329 10.340 12.420 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.030 12.103 13.130 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.763 11.221 14.455 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.015 12.136 13.702 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.153 13.145 12.558 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.273 14.620 14.322 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.751 13.845 14.713 1.00 0.00 H new ATOM 0 HE ARG A 12 5.077 12.513 15.903 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.657 15.076 16.271 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.803 15.114 18.031 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.244 12.574 18.169 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.258 13.707 19.099 1.00 0.00 H new ATOM 204 N ALA A 13 1.369 9.027 13.104 1.00 0.00 N ATOM 205 CA ALA A 13 0.716 7.829 13.618 1.00 0.00 C ATOM 206 C ALA A 13 -0.035 7.080 12.513 1.00 0.00 C ATOM 207 O ALA A 13 -1.031 6.401 12.777 1.00 0.00 O ATOM 208 CB ALA A 13 -0.230 8.190 14.756 1.00 0.00 C ATOM 0 H ALA A 13 0.727 9.748 12.775 1.00 0.00 H new ATOM 0 HA ALA A 13 1.491 7.164 14.000 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.711 7.286 15.130 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.333 8.662 15.561 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.990 8.881 14.392 1.00 0.00 H new ATOM 214 N GLY A 14 0.446 7.200 11.273 1.00 0.00 N ATOM 215 CA GLY A 14 -0.193 6.525 10.155 1.00 0.00 C ATOM 216 C GLY A 14 -0.106 7.320 8.862 1.00 0.00 C ATOM 217 O GLY A 14 0.202 8.514 8.882 1.00 0.00 O ATOM 0 H GLY A 14 1.267 7.753 11.025 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.273 5.551 10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.241 6.344 10.396 1.00 0.00 H new ATOM 221 N TYR A 15 -0.378 6.656 7.738 1.00 0.00 N ATOM 222 CA TYR A 15 -0.331 7.310 6.429 1.00 0.00 C ATOM 223 C TYR A 15 -1.684 7.924 6.086 1.00 0.00 C ATOM 224 O TYR A 15 -1.821 9.145 6.006 1.00 0.00 O ATOM 225 CB TYR A 15 0.082 6.313 5.338 1.00 0.00 C ATOM 226 CG TYR A 15 1.454 5.706 5.543 1.00 0.00 C ATOM 227 CD1 TYR A 15 1.642 4.641 6.419 1.00 0.00 C ATOM 228 CD2 TYR A 15 2.560 6.196 4.861 1.00 0.00 C ATOM 229 CE1 TYR A 15 2.894 4.085 6.605 1.00 0.00 C ATOM 230 CE2 TYR A 15 3.812 5.644 5.042 1.00 0.00 C ATOM 231 CZ TYR A 15 3.976 4.590 5.915 1.00 0.00 C ATOM 232 OH TYR A 15 5.225 4.043 6.102 1.00 0.00 O ATOM 0 H TYR A 15 -0.632 5.669 7.707 1.00 0.00 H new ATOM 0 HA TYR A 15 0.414 8.105 6.477 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.655 5.511 5.295 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.060 6.818 4.372 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.797 4.243 6.962 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.438 7.023 4.177 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.024 3.259 7.288 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.660 6.037 4.501 1.00 0.00 H new ATOM 0 HH TYR A 15 5.136 3.154 6.505 1.00 0.00 H new ATOM 242 N GLY A 16 -2.679 7.067 5.885 1.00 0.00 N ATOM 243 CA GLY A 16 -4.014 7.534 5.554 1.00 0.00 C ATOM 244 C GLY A 16 -4.720 6.633 4.563 1.00 0.00 C ATOM 245 O GLY A 16 -5.167 7.087 3.510 1.00 0.00 O ATOM 0 H GLY A 16 -2.585 6.053 5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.608 7.600 6.466 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.950 8.541 5.142 1.00 0.00 H new ATOM 249 N PHE A 17 -4.827 5.356 4.905 1.00 0.00 N ATOM 250 CA PHE A 17 -5.491 4.378 4.046 1.00 0.00 C ATOM 251 C PHE A 17 -5.766 3.084 4.805 1.00 0.00 C ATOM 252 O PHE A 17 -5.010 2.707 5.703 1.00 0.00 O ATOM 253 CB PHE A 17 -4.649 4.093 2.793 1.00 0.00 C ATOM 254 CG PHE A 17 -3.288 3.515 3.083 1.00 0.00 C ATOM 255 CD1 PHE A 17 -3.132 2.155 3.317 1.00 0.00 C ATOM 256 CD2 PHE A 17 -2.169 4.329 3.124 1.00 0.00 C ATOM 257 CE1 PHE A 17 -1.885 1.623 3.586 1.00 0.00 C ATOM 258 CE2 PHE A 17 -0.919 3.802 3.394 1.00 0.00 C ATOM 259 CZ PHE A 17 -0.779 2.448 3.626 1.00 0.00 C ATOM 0 H PHE A 17 -4.461 4.969 5.775 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.445 4.801 3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.196 3.402 2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.526 5.020 2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.995 1.506 3.288 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.273 5.389 2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.776 0.563 3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.054 4.448 3.423 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.196 2.034 3.839 1.00 0.00 H new ATOM 269 N THR A 18 -6.845 2.404 4.430 1.00 0.00 N ATOM 270 CA THR A 18 -7.217 1.146 5.064 1.00 0.00 C ATOM 271 C THR A 18 -6.706 -0.028 4.235 1.00 0.00 C ATOM 272 O THR A 18 -7.211 -0.297 3.141 1.00 0.00 O ATOM 273 CB THR A 18 -8.740 1.052 5.237 1.00 0.00 C ATOM 274 OG1 THR A 18 -9.335 2.340 5.252 1.00 0.00 O ATOM 275 CG2 THR A 18 -9.158 0.339 6.508 1.00 0.00 C ATOM 0 H THR A 18 -7.478 2.705 3.689 1.00 0.00 H new ATOM 0 HA THR A 18 -6.759 1.109 6.052 1.00 0.00 H new ATOM 0 HB THR A 18 -9.085 0.472 4.381 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.305 2.251 5.362 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.246 0.308 6.567 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.766 -0.678 6.500 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.763 0.874 7.372 1.00 0.00 H new ATOM 283 N LEU A 19 -5.702 -0.724 4.762 1.00 0.00 N ATOM 284 CA LEU A 19 -5.113 -1.867 4.076 1.00 0.00 C ATOM 285 C LEU A 19 -5.493 -3.168 4.768 1.00 0.00 C ATOM 286 O LEU A 19 -5.525 -3.249 5.996 1.00 0.00 O ATOM 287 CB LEU A 19 -3.592 -1.729 4.021 1.00 0.00 C ATOM 288 CG LEU A 19 -2.830 -2.953 3.498 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.577 -2.522 2.751 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.472 -3.893 4.644 1.00 0.00 C ATOM 0 H LEU A 19 -5.279 -0.514 5.666 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.504 -1.890 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.346 -0.875 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.230 -1.500 5.023 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.478 -3.489 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.049 -3.403 2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.856 -1.892 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.927 -1.962 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.932 -4.755 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.844 -3.367 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.384 -4.230 5.137 1.00 0.00 H new ATOM 302 N SER A 20 -5.768 -4.182 3.959 1.00 0.00 N ATOM 303 CA SER A 20 -6.142 -5.498 4.463 1.00 0.00 C ATOM 304 C SER A 20 -5.702 -6.586 3.490 1.00 0.00 C ATOM 305 O SER A 20 -5.432 -6.313 2.320 1.00 0.00 O ATOM 306 CB SER A 20 -7.654 -5.581 4.682 1.00 0.00 C ATOM 307 OG SER A 20 -8.044 -4.868 5.844 1.00 0.00 O ATOM 0 H SER A 20 -5.739 -4.118 2.941 1.00 0.00 H new ATOM 0 HA SER A 20 -5.639 -5.651 5.418 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.173 -5.177 3.813 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.954 -6.625 4.775 1.00 0.00 H new ATOM 0 HG SER A 20 -7.293 -4.325 6.162 1.00 0.00 H new ATOM 313 N GLY A 21 -5.629 -7.817 3.975 1.00 0.00 N ATOM 314 CA GLY A 21 -5.221 -8.918 3.126 1.00 0.00 C ATOM 315 C GLY A 21 -4.268 -9.860 3.826 1.00 0.00 C ATOM 316 O GLY A 21 -3.055 -9.776 3.639 1.00 0.00 O ATOM 0 H GLY A 21 -5.844 -8.073 4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.103 -9.471 2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.745 -8.524 2.228 1.00 0.00 H new ATOM 320 N GLN A 22 -4.826 -10.760 4.632 1.00 0.00 N ATOM 321 CA GLN A 22 -4.025 -11.742 5.372 1.00 0.00 C ATOM 322 C GLN A 22 -3.001 -12.410 4.453 1.00 0.00 C ATOM 323 O GLN A 22 -1.854 -12.622 4.843 1.00 0.00 O ATOM 324 CB GLN A 22 -4.923 -12.803 6.014 1.00 0.00 C ATOM 325 CG GLN A 22 -5.218 -12.546 7.486 1.00 0.00 C ATOM 326 CD GLN A 22 -3.963 -12.315 8.311 1.00 0.00 C ATOM 327 OE1 GLN A 22 -3.854 -11.321 9.029 1.00 0.00 O ATOM 328 NE2 GLN A 22 -3.002 -13.231 8.210 1.00 0.00 N ATOM 0 H GLN A 22 -5.831 -10.833 4.792 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.492 -11.212 6.161 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.864 -12.849 5.467 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.447 -13.778 5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.869 -11.676 7.574 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.764 -13.396 7.895 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.131 -14.041 7.604 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.137 -13.123 8.739 1.00 0.00 H new ATOM 337 N ALA A 23 -3.432 -12.716 3.229 1.00 0.00 N ATOM 338 CA ALA A 23 -2.566 -13.334 2.229 1.00 0.00 C ATOM 339 C ALA A 23 -2.328 -12.370 1.062 1.00 0.00 C ATOM 340 O ALA A 23 -1.198 -11.942 0.830 1.00 0.00 O ATOM 341 CB ALA A 23 -3.161 -14.648 1.739 1.00 0.00 C ATOM 0 H ALA A 23 -4.384 -12.543 2.906 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.604 -13.554 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.500 -15.092 0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.272 -15.333 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.137 -14.461 1.292 1.00 0.00 H new ATOM 347 N PRO A 24 -3.397 -11.996 0.315 1.00 0.00 N ATOM 348 CA PRO A 24 -3.292 -11.069 -0.808 1.00 0.00 C ATOM 349 C PRO A 24 -3.482 -9.617 -0.364 1.00 0.00 C ATOM 350 O PRO A 24 -4.611 -9.130 -0.272 1.00 0.00 O ATOM 351 CB PRO A 24 -4.440 -11.518 -1.707 1.00 0.00 C ATOM 352 CG PRO A 24 -5.495 -12.000 -0.765 1.00 0.00 C ATOM 353 CD PRO A 24 -4.795 -12.434 0.507 1.00 0.00 C ATOM 0 HA PRO A 24 -2.316 -11.089 -1.292 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.805 -10.696 -2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.124 -12.310 -2.386 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.216 -11.209 -0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.050 -12.830 -1.201 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.241 -11.969 1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.859 -13.513 0.649 1.00 0.00 H new ATOM 361 N CYS A 25 -2.372 -8.934 -0.083 1.00 0.00 N ATOM 362 CA CYS A 25 -2.417 -7.539 0.360 1.00 0.00 C ATOM 363 C CYS A 25 -3.247 -6.690 -0.607 1.00 0.00 C ATOM 364 O CYS A 25 -2.902 -6.557 -1.783 1.00 0.00 O ATOM 365 CB CYS A 25 -1.002 -6.969 0.484 1.00 0.00 C ATOM 366 SG CYS A 25 0.057 -7.294 -0.948 1.00 0.00 S ATOM 0 H CYS A 25 -1.432 -9.323 -0.154 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.892 -7.509 1.341 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.068 -5.892 0.636 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.530 -7.388 1.373 1.00 0.00 H new ATOM 0 HG CYS A 25 0.590 -8.474 -0.835 1.00 0.00 H new ATOM 372 N VAL A 26 -4.346 -6.132 -0.102 1.00 0.00 N ATOM 373 CA VAL A 26 -5.235 -5.310 -0.922 1.00 0.00 C ATOM 374 C VAL A 26 -5.644 -4.024 -0.197 1.00 0.00 C ATOM 375 O VAL A 26 -5.841 -4.018 1.021 1.00 0.00 O ATOM 376 CB VAL A 26 -6.499 -6.107 -1.321 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.284 -6.536 -0.089 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.379 -5.305 -2.269 1.00 0.00 C ATOM 0 H VAL A 26 -4.642 -6.234 0.869 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.683 -5.034 -1.821 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.172 -7.005 -1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.168 -7.095 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.657 -7.167 0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.590 -5.654 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.260 -5.891 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.690 -4.381 -1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.818 -5.068 -3.173 1.00 0.00 H new ATOM 388 N LEU A 27 -5.781 -2.937 -0.955 1.00 0.00 N ATOM 389 CA LEU A 27 -6.177 -1.655 -0.380 1.00 0.00 C ATOM 390 C LEU A 27 -7.700 -1.526 -0.384 1.00 0.00 C ATOM 391 O LEU A 27 -8.295 -1.092 -1.370 1.00 0.00 O ATOM 392 CB LEU A 27 -5.541 -0.492 -1.153 1.00 0.00 C ATOM 393 CG LEU A 27 -4.426 0.246 -0.405 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.230 0.473 -1.318 1.00 0.00 C ATOM 395 CD2 LEU A 27 -4.939 1.570 0.149 1.00 0.00 C ATOM 0 H LEU A 27 -5.624 -2.919 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.822 -1.614 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.138 -0.875 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.321 0.224 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.104 -0.373 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.448 0.998 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.848 -0.488 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.536 1.071 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.133 2.080 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.289 2.197 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.762 1.382 0.838 1.00 0.00 H new ATOM 407 N SER A 28 -8.322 -1.927 0.727 1.00 0.00 N ATOM 408 CA SER A 28 -9.777 -1.879 0.868 1.00 0.00 C ATOM 409 C SER A 28 -10.327 -0.469 0.656 1.00 0.00 C ATOM 410 O SER A 28 -11.237 -0.264 -0.146 1.00 0.00 O ATOM 411 CB SER A 28 -10.197 -2.397 2.247 1.00 0.00 C ATOM 412 OG SER A 28 -10.558 -3.767 2.189 1.00 0.00 O ATOM 0 H SER A 28 -7.836 -2.291 1.547 1.00 0.00 H new ATOM 0 HA SER A 28 -10.197 -2.521 0.094 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.378 -2.263 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.038 -1.811 2.618 1.00 0.00 H new ATOM 0 HG SER A 28 -10.820 -4.074 3.082 1.00 0.00 H new ATOM 418 N CYS A 29 -9.774 0.496 1.384 1.00 0.00 N ATOM 419 CA CYS A 29 -10.217 1.884 1.280 1.00 0.00 C ATOM 420 C CYS A 29 -9.068 2.856 1.527 1.00 0.00 C ATOM 421 O CYS A 29 -8.040 2.487 2.094 1.00 0.00 O ATOM 422 CB CYS A 29 -11.353 2.155 2.269 1.00 0.00 C ATOM 423 SG CYS A 29 -12.608 3.304 1.655 1.00 0.00 S ATOM 0 H CYS A 29 -9.019 0.344 2.052 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.580 2.041 0.264 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.834 1.210 2.522 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.930 2.554 3.191 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.527 3.468 2.560 1.00 0.00 H new ATOM 429 N VAL A 30 -9.260 4.105 1.106 1.00 0.00 N ATOM 430 CA VAL A 30 -8.253 5.148 1.288 1.00 0.00 C ATOM 431 C VAL A 30 -8.834 6.304 2.104 1.00 0.00 C ATOM 432 O VAL A 30 -10.047 6.520 2.102 1.00 0.00 O ATOM 433 CB VAL A 30 -7.733 5.683 -0.069 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.488 6.537 0.133 1.00 0.00 C ATOM 435 CG2 VAL A 30 -7.447 4.536 -1.028 1.00 0.00 C ATOM 0 H VAL A 30 -10.108 4.420 0.634 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.413 4.704 1.823 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.510 6.308 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.138 6.904 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.728 7.383 0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.706 5.936 0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.083 4.935 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.691 3.880 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.362 3.970 -1.201 1.00 0.00 H new ATOM 445 N MET A 31 -7.969 7.040 2.801 1.00 0.00 N ATOM 446 CA MET A 31 -8.407 8.166 3.615 1.00 0.00 C ATOM 447 C MET A 31 -8.303 9.467 2.836 1.00 0.00 C ATOM 448 O MET A 31 -7.224 10.051 2.707 1.00 0.00 O ATOM 449 CB MET A 31 -7.592 8.271 4.902 1.00 0.00 C ATOM 450 CG MET A 31 -7.646 7.026 5.777 1.00 0.00 C ATOM 451 SD MET A 31 -8.785 7.200 7.164 1.00 0.00 S ATOM 452 CE MET A 31 -7.730 6.725 8.533 1.00 0.00 C ATOM 0 H MET A 31 -6.963 6.875 2.816 1.00 0.00 H new ATOM 0 HA MET A 31 -9.450 7.991 3.879 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.553 8.476 4.645 1.00 0.00 H new ATOM 0 HB3 MET A 31 -7.952 9.123 5.479 1.00 0.00 H new ATOM 0 HG2 MET A 31 -7.947 6.173 5.169 1.00 0.00 H new ATOM 0 HG3 MET A 31 -6.647 6.810 6.157 1.00 0.00 H new ATOM 0 HE1 MET A 31 -8.294 6.782 9.464 1.00 0.00 H new ATOM 0 HE2 MET A 31 -7.378 5.704 8.384 1.00 0.00 H new ATOM 0 HE3 MET A 31 -6.875 7.399 8.585 1.00 0.00 H new ATOM 462 N ARG A 32 -9.439 9.904 2.322 1.00 0.00 N ATOM 463 CA ARG A 32 -9.528 11.139 1.545 1.00 0.00 C ATOM 464 C ARG A 32 -8.972 12.323 2.333 1.00 0.00 C ATOM 465 O ARG A 32 -9.380 12.573 3.469 1.00 0.00 O ATOM 466 CB ARG A 32 -10.982 11.415 1.154 1.00 0.00 C ATOM 467 CG ARG A 32 -11.377 10.825 -0.191 1.00 0.00 C ATOM 468 CD ARG A 32 -12.694 11.403 -0.690 1.00 0.00 C ATOM 469 NE ARG A 32 -13.637 10.357 -1.091 1.00 0.00 N ATOM 470 CZ ARG A 32 -14.952 10.547 -1.221 1.00 0.00 C ATOM 471 NH1 ARG A 32 -15.491 11.740 -0.984 1.00 0.00 N ATOM 472 NH2 ARG A 32 -15.735 9.539 -1.590 1.00 0.00 N ATOM 0 H ARG A 32 -10.329 9.417 2.428 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.930 11.013 0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.639 11.011 1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.144 12.493 1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.592 11.023 -0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.464 9.742 -0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.142 12.013 0.094 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.503 12.062 -1.537 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.266 9.426 -1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.898 12.520 -0.700 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.497 11.875 -1.086 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.331 8.620 -1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.740 9.684 -1.689 1.00 0.00 H new ATOM 486 N GLY A 33 -8.032 13.040 1.723 1.00 0.00 N ATOM 487 CA GLY A 33 -7.424 14.189 2.377 1.00 0.00 C ATOM 488 C GLY A 33 -6.068 13.872 2.990 1.00 0.00 C ATOM 489 O GLY A 33 -5.298 14.785 3.302 1.00 0.00 O ATOM 0 H GLY A 33 -7.679 12.846 0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.310 14.995 1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.093 14.553 3.156 1.00 0.00 H new ATOM 493 N SER A 34 -5.769 12.584 3.156 1.00 0.00 N ATOM 494 CA SER A 34 -4.498 12.152 3.725 1.00 0.00 C ATOM 495 C SER A 34 -3.454 11.967 2.618 1.00 0.00 C ATOM 496 O SER A 34 -3.802 11.937 1.436 1.00 0.00 O ATOM 497 CB SER A 34 -4.695 10.847 4.507 1.00 0.00 C ATOM 498 OG SER A 34 -5.943 10.836 5.188 1.00 0.00 O ATOM 0 H SER A 34 -6.395 11.820 2.902 1.00 0.00 H new ATOM 0 HA SER A 34 -4.136 12.919 4.410 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.644 10.000 3.823 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.885 10.726 5.226 1.00 0.00 H new ATOM 0 HG SER A 34 -6.669 10.727 4.539 1.00 0.00 H new ATOM 504 N PRO A 35 -2.157 11.844 2.980 1.00 0.00 N ATOM 505 CA PRO A 35 -1.069 11.666 2.007 1.00 0.00 C ATOM 506 C PRO A 35 -1.323 10.530 1.009 1.00 0.00 C ATOM 507 O PRO A 35 -0.816 10.562 -0.110 1.00 0.00 O ATOM 508 CB PRO A 35 0.165 11.356 2.871 1.00 0.00 C ATOM 509 CG PRO A 35 -0.354 11.114 4.249 1.00 0.00 C ATOM 510 CD PRO A 35 -1.644 11.875 4.356 1.00 0.00 C ATOM 0 HA PRO A 35 -0.957 12.555 1.387 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.697 10.482 2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.870 12.187 2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.515 10.050 4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.361 11.454 4.998 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.334 11.404 5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.484 12.895 4.705 1.00 0.00 H new ATOM 518 N ALA A 36 -2.118 9.535 1.417 1.00 0.00 N ATOM 519 CA ALA A 36 -2.441 8.407 0.545 1.00 0.00 C ATOM 520 C ALA A 36 -3.194 8.881 -0.698 1.00 0.00 C ATOM 521 O ALA A 36 -2.838 8.530 -1.825 1.00 0.00 O ATOM 522 CB ALA A 36 -3.261 7.364 1.295 1.00 0.00 C ATOM 0 H ALA A 36 -2.547 9.490 2.342 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.505 7.948 0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.491 6.533 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.690 6.997 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.189 7.815 1.646 1.00 0.00 H new ATOM 528 N ASP A 37 -4.230 9.689 -0.479 1.00 0.00 N ATOM 529 CA ASP A 37 -5.036 10.230 -1.576 1.00 0.00 C ATOM 530 C ASP A 37 -4.254 11.276 -2.374 1.00 0.00 C ATOM 531 O ASP A 37 -4.516 11.483 -3.561 1.00 0.00 O ATOM 532 CB ASP A 37 -6.331 10.846 -1.036 1.00 0.00 C ATOM 533 CG ASP A 37 -7.491 10.696 -2.004 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.973 9.558 -2.182 1.00 0.00 O ATOM 535 OD2 ASP A 37 -7.918 11.717 -2.579 1.00 0.00 O ATOM 0 H ASP A 37 -4.533 9.985 0.449 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.285 9.405 -2.244 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.588 10.372 -0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.168 11.904 -0.829 1.00 0.00 H new ATOM 540 N PHE A 38 -3.289 11.929 -1.721 1.00 0.00 N ATOM 541 CA PHE A 38 -2.460 12.948 -2.371 1.00 0.00 C ATOM 542 C PHE A 38 -1.697 12.369 -3.568 1.00 0.00 C ATOM 543 O PHE A 38 -1.303 13.104 -4.475 1.00 0.00 O ATOM 544 CB PHE A 38 -1.464 13.545 -1.372 1.00 0.00 C ATOM 545 CG PHE A 38 -2.076 14.459 -0.339 1.00 0.00 C ATOM 546 CD1 PHE A 38 -3.433 14.758 -0.352 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.284 15.022 0.647 1.00 0.00 C ATOM 548 CE1 PHE A 38 -3.982 15.597 0.600 1.00 0.00 C ATOM 549 CE2 PHE A 38 -1.828 15.863 1.601 1.00 0.00 C ATOM 550 CZ PHE A 38 -3.179 16.150 1.577 1.00 0.00 C ATOM 0 H PHE A 38 -3.062 11.769 -0.739 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.127 13.731 -2.732 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.953 12.730 -0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.705 14.100 -1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.066 14.330 -1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.227 14.802 0.672 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.039 15.820 0.579 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.197 16.295 2.364 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.606 16.806 2.321 1.00 0.00 H new ATOM 560 N VAL A 39 -1.484 11.051 -3.562 1.00 0.00 N ATOM 561 CA VAL A 39 -0.766 10.380 -4.645 1.00 0.00 C ATOM 562 C VAL A 39 -1.727 9.941 -5.753 1.00 0.00 C ATOM 563 O VAL A 39 -1.348 9.879 -6.924 1.00 0.00 O ATOM 564 CB VAL A 39 -0.002 9.139 -4.133 1.00 0.00 C ATOM 565 CG1 VAL A 39 0.896 8.572 -5.221 1.00 0.00 C ATOM 566 CG2 VAL A 39 0.804 9.475 -2.884 1.00 0.00 C ATOM 0 H VAL A 39 -1.799 10.428 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.053 11.102 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.734 8.377 -3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.424 7.699 -4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.289 8.282 -6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.619 9.328 -5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.333 8.585 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.525 10.259 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.131 9.821 -2.099 1.00 0.00 H new ATOM 576 N GLY A 40 -2.968 9.638 -5.373 1.00 0.00 N ATOM 577 CA GLY A 40 -3.960 9.208 -6.340 1.00 0.00 C ATOM 578 C GLY A 40 -4.224 7.717 -6.276 1.00 0.00 C ATOM 579 O GLY A 40 -4.287 7.047 -7.310 1.00 0.00 O ATOM 0 H GLY A 40 -3.302 9.684 -4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.891 9.747 -6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.624 9.472 -7.343 1.00 0.00 H new ATOM 583 N LEU A 41 -4.382 7.196 -5.059 1.00 0.00 N ATOM 584 CA LEU A 41 -4.645 5.776 -4.858 1.00 0.00 C ATOM 585 C LEU A 41 -6.071 5.429 -5.282 1.00 0.00 C ATOM 586 O LEU A 41 -6.820 6.294 -5.739 1.00 0.00 O ATOM 587 CB LEU A 41 -4.414 5.393 -3.393 1.00 0.00 C ATOM 588 CG LEU A 41 -3.063 4.736 -3.102 1.00 0.00 C ATOM 589 CD1 LEU A 41 -2.889 4.502 -1.607 1.00 0.00 C ATOM 590 CD2 LEU A 41 -2.929 3.429 -3.871 1.00 0.00 C ATOM 0 H LEU A 41 -4.332 7.740 -4.197 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.954 5.206 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.505 6.290 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.207 4.713 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.274 5.411 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.922 4.034 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.937 5.456 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.683 3.848 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.962 2.976 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.725 2.748 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.003 3.627 -4.940 1.00 0.00 H new ATOM 602 N ARG A 42 -6.444 4.161 -5.127 1.00 0.00 N ATOM 603 CA ARG A 42 -7.778 3.709 -5.500 1.00 0.00 C ATOM 604 C ARG A 42 -8.312 2.682 -4.508 1.00 0.00 C ATOM 605 O ARG A 42 -7.799 1.564 -4.420 1.00 0.00 O ATOM 606 CB ARG A 42 -7.764 3.111 -6.907 1.00 0.00 C ATOM 607 CG ARG A 42 -7.677 4.152 -8.011 1.00 0.00 C ATOM 608 CD ARG A 42 -7.324 3.521 -9.348 1.00 0.00 C ATOM 609 NE ARG A 42 -8.483 2.901 -9.989 1.00 0.00 N ATOM 610 CZ ARG A 42 -9.495 3.587 -10.530 1.00 0.00 C ATOM 611 NH1 ARG A 42 -9.502 4.919 -10.498 1.00 0.00 N ATOM 612 NH2 ARG A 42 -10.505 2.938 -11.102 1.00 0.00 N ATOM 0 H ARG A 42 -5.841 3.431 -4.746 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.438 4.576 -5.484 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.918 2.430 -6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.667 2.518 -7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.630 4.675 -8.095 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.926 4.898 -7.750 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.909 4.282 -10.009 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.548 2.770 -9.200 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.522 1.882 -10.026 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.732 5.423 -10.059 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.278 5.435 -10.913 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.507 1.918 -11.128 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.278 3.460 -11.515 1.00 0.00 H new ATOM 626 N ALA A 43 -9.351 3.070 -3.772 1.00 0.00 N ATOM 627 CA ALA A 43 -9.972 2.184 -2.791 1.00 0.00 C ATOM 628 C ALA A 43 -10.610 0.983 -3.483 1.00 0.00 C ATOM 629 O ALA A 43 -11.678 1.101 -4.087 1.00 0.00 O ATOM 630 CB ALA A 43 -11.012 2.942 -1.975 1.00 0.00 C ATOM 0 H ALA A 43 -9.781 3.993 -3.837 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.198 1.821 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.466 2.268 -1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.532 3.769 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.783 3.331 -2.640 1.00 0.00 H new ATOM 636 N GLY A 44 -9.945 -0.165 -3.402 1.00 0.00 N ATOM 637 CA GLY A 44 -10.456 -1.369 -4.036 1.00 0.00 C ATOM 638 C GLY A 44 -9.416 -2.090 -4.885 1.00 0.00 C ATOM 639 O GLY A 44 -9.646 -3.220 -5.320 1.00 0.00 O ATOM 0 H GLY A 44 -9.060 -0.284 -2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.822 -2.049 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.309 -1.108 -4.663 1.00 0.00 H new ATOM 643 N ASP A 45 -8.268 -1.441 -5.122 1.00 0.00 N ATOM 644 CA ASP A 45 -7.202 -2.034 -5.917 1.00 0.00 C ATOM 645 C ASP A 45 -6.371 -2.998 -5.077 1.00 0.00 C ATOM 646 O ASP A 45 -6.457 -3.005 -3.846 1.00 0.00 O ATOM 647 CB ASP A 45 -6.309 -0.938 -6.510 1.00 0.00 C ATOM 648 CG ASP A 45 -6.753 -0.493 -7.896 1.00 0.00 C ATOM 649 OD1 ASP A 45 -7.632 -1.152 -8.492 1.00 0.00 O ATOM 650 OD2 ASP A 45 -6.217 0.523 -8.386 1.00 0.00 O ATOM 0 H ASP A 45 -8.061 -0.506 -4.771 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.656 -2.597 -6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.308 -0.077 -5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.283 -1.302 -6.563 1.00 0.00 H new ATOM 655 N GLN A 46 -5.571 -3.815 -5.754 1.00 0.00 N ATOM 656 CA GLN A 46 -4.724 -4.796 -5.086 1.00 0.00 C ATOM 657 C GLN A 46 -3.270 -4.338 -5.035 1.00 0.00 C ATOM 658 O GLN A 46 -2.828 -3.525 -5.851 1.00 0.00 O ATOM 659 CB GLN A 46 -4.818 -6.151 -5.793 1.00 0.00 C ATOM 660 CG GLN A 46 -5.227 -7.295 -4.873 1.00 0.00 C ATOM 661 CD GLN A 46 -4.450 -8.571 -5.139 1.00 0.00 C ATOM 662 OE1 GLN A 46 -3.823 -9.126 -4.237 1.00 0.00 O ATOM 663 NE2 GLN A 46 -4.490 -9.046 -6.380 1.00 0.00 N ATOM 0 H GLN A 46 -5.492 -3.817 -6.771 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.083 -4.898 -4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.538 -6.077 -6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.852 -6.385 -6.241 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.077 -6.993 -3.837 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.292 -7.491 -4.996 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.022 -8.554 -7.098 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.988 -9.903 -6.615 1.00 0.00 H new ATOM 672 N ILE A 47 -2.534 -4.874 -4.068 1.00 0.00 N ATOM 673 CA ILE A 47 -1.128 -4.544 -3.889 1.00 0.00 C ATOM 674 C ILE A 47 -0.244 -5.728 -4.280 1.00 0.00 C ATOM 675 O ILE A 47 -0.622 -6.885 -4.084 1.00 0.00 O ATOM 676 CB ILE A 47 -0.822 -4.151 -2.428 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.811 -3.090 -1.931 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.607 -3.647 -2.299 1.00 0.00 C ATOM 679 CD1 ILE A 47 -2.287 -3.330 -0.515 1.00 0.00 C ATOM 0 H ILE A 47 -2.894 -5.546 -3.390 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.912 -3.693 -4.536 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.933 -5.040 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.339 -2.109 -1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.673 -3.067 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.805 -3.375 -1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.299 -4.431 -2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.743 -2.773 -2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.984 -2.543 -0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.788 -4.296 -0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.433 -3.324 0.162 1.00 0.00 H new ATOM 691 N LEU A 48 0.932 -5.435 -4.828 1.00 0.00 N ATOM 692 CA LEU A 48 1.865 -6.481 -5.237 1.00 0.00 C ATOM 693 C LEU A 48 3.182 -6.367 -4.470 1.00 0.00 C ATOM 694 O LEU A 48 3.597 -7.308 -3.795 1.00 0.00 O ATOM 695 CB LEU A 48 2.118 -6.416 -6.747 1.00 0.00 C ATOM 696 CG LEU A 48 1.034 -7.073 -7.612 1.00 0.00 C ATOM 697 CD1 LEU A 48 -0.222 -6.213 -7.645 1.00 0.00 C ATOM 698 CD2 LEU A 48 1.553 -7.322 -9.022 1.00 0.00 C ATOM 0 H LEU A 48 1.261 -4.485 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 48 1.416 -7.446 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.212 -5.370 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.073 -6.895 -6.962 1.00 0.00 H new ATOM 0 HG LEU A 48 0.776 -8.034 -7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.978 -6.697 -8.264 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.606 -6.091 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.017 -5.235 -8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.771 -7.788 -9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.841 -6.374 -9.476 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.419 -7.982 -8.980 1.00 0.00 H new ATOM 710 N ALA A 49 3.824 -5.210 -4.576 1.00 0.00 N ATOM 711 CA ALA A 49 5.090 -4.961 -3.892 1.00 0.00 C ATOM 712 C ALA A 49 4.907 -3.967 -2.745 1.00 0.00 C ATOM 713 O ALA A 49 4.186 -2.978 -2.880 1.00 0.00 O ATOM 714 CB ALA A 49 6.132 -4.442 -4.873 1.00 0.00 C ATOM 0 H ALA A 49 3.487 -4.424 -5.132 1.00 0.00 H new ATOM 0 HA ALA A 49 5.438 -5.906 -3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.069 -4.262 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.293 -5.181 -5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.781 -3.511 -5.318 1.00 0.00 H new ATOM 720 N VAL A 50 5.572 -4.236 -1.623 1.00 0.00 N ATOM 721 CA VAL A 50 5.501 -3.365 -0.449 1.00 0.00 C ATOM 722 C VAL A 50 6.882 -3.231 0.174 1.00 0.00 C ATOM 723 O VAL A 50 7.419 -4.196 0.718 1.00 0.00 O ATOM 724 CB VAL A 50 4.512 -3.892 0.615 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.118 -2.781 1.578 1.00 0.00 C ATOM 726 CG2 VAL A 50 3.277 -4.492 -0.044 1.00 0.00 C ATOM 0 H VAL A 50 6.169 -5.054 -1.501 1.00 0.00 H new ATOM 0 HA VAL A 50 5.139 -2.394 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 50 5.011 -4.678 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.421 -3.172 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.008 -2.403 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.642 -1.972 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.595 -4.856 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.777 -3.730 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.574 -5.320 -0.688 1.00 0.00 H new ATOM 736 N ASN A 51 7.465 -2.037 0.059 1.00 0.00 N ATOM 737 CA ASN A 51 8.805 -1.772 0.578 1.00 0.00 C ATOM 738 C ASN A 51 9.844 -2.398 -0.355 1.00 0.00 C ATOM 739 O ASN A 51 10.878 -2.897 0.086 1.00 0.00 O ATOM 740 CB ASN A 51 8.954 -2.310 2.012 1.00 0.00 C ATOM 741 CG ASN A 51 10.098 -1.659 2.768 1.00 0.00 C ATOM 742 OD1 ASN A 51 11.011 -2.340 3.237 1.00 0.00 O ATOM 743 ND2 ASN A 51 10.054 -0.337 2.897 1.00 0.00 N ATOM 0 H ASN A 51 7.026 -1.234 -0.392 1.00 0.00 H new ATOM 0 HA ASN A 51 8.967 -0.695 0.616 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.024 -2.144 2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.115 -3.388 1.976 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.795 0.151 3.400 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.279 0.189 2.493 1.00 0.00 H new ATOM 750 N GLU A 52 9.533 -2.357 -1.658 1.00 0.00 N ATOM 751 CA GLU A 52 10.391 -2.899 -2.717 1.00 0.00 C ATOM 752 C GLU A 52 10.356 -4.437 -2.785 1.00 0.00 C ATOM 753 O GLU A 52 11.014 -5.034 -3.641 1.00 0.00 O ATOM 754 CB GLU A 52 11.836 -2.382 -2.575 1.00 0.00 C ATOM 755 CG GLU A 52 12.811 -3.347 -1.897 1.00 0.00 C ATOM 756 CD GLU A 52 14.223 -3.220 -2.436 1.00 0.00 C ATOM 757 OE1 GLU A 52 14.763 -2.090 -2.439 1.00 0.00 O ATOM 758 OE2 GLU A 52 14.794 -4.249 -2.854 1.00 0.00 O ATOM 0 H GLU A 52 8.670 -1.942 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 52 9.986 -2.538 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.218 -2.143 -3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.818 -1.452 -2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.817 -3.158 -0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.462 -4.370 -2.038 1.00 0.00 H new ATOM 765 N ILE A 53 9.585 -5.075 -1.901 1.00 0.00 N ATOM 766 CA ILE A 53 9.481 -6.534 -1.891 1.00 0.00 C ATOM 767 C ILE A 53 8.042 -6.992 -2.129 1.00 0.00 C ATOM 768 O ILE A 53 7.103 -6.465 -1.531 1.00 0.00 O ATOM 769 CB ILE A 53 10.001 -7.129 -0.563 1.00 0.00 C ATOM 770 CG1 ILE A 53 9.420 -6.376 0.637 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.525 -7.082 -0.537 1.00 0.00 C ATOM 772 CD1 ILE A 53 9.917 -6.886 1.972 1.00 0.00 C ATOM 0 H ILE A 53 9.027 -4.606 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 53 10.105 -6.900 -2.706 1.00 0.00 H new ATOM 0 HB ILE A 53 9.677 -8.167 -0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.668 -5.319 0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.333 -6.451 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.886 -7.503 0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 53 11.921 -7.662 -1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.859 -6.048 -0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.463 -6.305 2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.645 -7.936 2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.001 -6.785 2.019 1.00 0.00 H new ATOM 784 N ASN A 54 7.879 -7.975 -3.020 1.00 0.00 N ATOM 785 CA ASN A 54 6.565 -8.510 -3.360 1.00 0.00 C ATOM 786 C ASN A 54 5.964 -9.303 -2.205 1.00 0.00 C ATOM 787 O ASN A 54 6.682 -9.888 -1.392 1.00 0.00 O ATOM 788 CB ASN A 54 6.657 -9.400 -4.602 1.00 0.00 C ATOM 789 CG ASN A 54 5.817 -8.876 -5.752 1.00 0.00 C ATOM 790 OD1 ASN A 54 6.299 -8.120 -6.595 1.00 0.00 O ATOM 791 ND2 ASN A 54 4.549 -9.276 -5.793 1.00 0.00 N ATOM 0 H ASN A 54 8.650 -8.417 -3.520 1.00 0.00 H new ATOM 0 HA ASN A 54 5.912 -7.662 -3.567 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.698 -9.471 -4.919 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.331 -10.409 -4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.937 -8.955 -6.543 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.189 -9.904 -5.074 1.00 0.00 H new ATOM 798 N VAL A 55 4.637 -9.309 -2.148 1.00 0.00 N ATOM 799 CA VAL A 55 3.907 -10.020 -1.099 1.00 0.00 C ATOM 800 C VAL A 55 2.538 -10.508 -1.593 1.00 0.00 C ATOM 801 O VAL A 55 1.501 -10.174 -1.015 1.00 0.00 O ATOM 802 CB VAL A 55 3.712 -9.123 0.146 1.00 0.00 C ATOM 803 CG1 VAL A 55 4.976 -9.098 0.996 1.00 0.00 C ATOM 804 CG2 VAL A 55 3.309 -7.714 -0.263 1.00 0.00 C ATOM 0 H VAL A 55 4.040 -8.827 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 55 4.508 -10.887 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 55 2.907 -9.546 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.817 -8.461 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.213 -10.110 1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.804 -8.705 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.177 -7.100 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.088 -7.280 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.373 -7.751 -0.820 1.00 0.00 H new ATOM 814 N LYS A 56 2.543 -11.299 -2.668 1.00 0.00 N ATOM 815 CA LYS A 56 1.303 -11.834 -3.242 1.00 0.00 C ATOM 816 C LYS A 56 0.545 -12.697 -2.231 1.00 0.00 C ATOM 817 O LYS A 56 -0.682 -12.629 -2.149 1.00 0.00 O ATOM 818 CB LYS A 56 1.595 -12.643 -4.511 1.00 0.00 C ATOM 819 CG LYS A 56 1.457 -11.839 -5.798 1.00 0.00 C ATOM 820 CD LYS A 56 0.015 -11.802 -6.287 1.00 0.00 C ATOM 821 CE LYS A 56 -0.145 -10.896 -7.502 1.00 0.00 C ATOM 822 NZ LYS A 56 -0.190 -11.665 -8.781 1.00 0.00 N ATOM 0 H LYS A 56 3.390 -11.584 -3.159 1.00 0.00 H new ATOM 0 HA LYS A 56 0.672 -10.985 -3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.607 -13.044 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.917 -13.495 -4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.811 -10.822 -5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.092 -12.275 -6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.309 -12.811 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.633 -11.451 -5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.060 -10.313 -7.399 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.683 -10.188 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.300 -11.006 -9.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.693 -12.202 -8.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.995 -12.323 -8.762 1.00 0.00 H new ATOM 836 N LYS A 57 1.279 -13.504 -1.465 1.00 0.00 N ATOM 837 CA LYS A 57 0.670 -14.373 -0.458 1.00 0.00 C ATOM 838 C LYS A 57 1.364 -14.227 0.901 1.00 0.00 C ATOM 839 O LYS A 57 1.441 -15.185 1.674 1.00 0.00 O ATOM 840 CB LYS A 57 0.721 -15.838 -0.909 1.00 0.00 C ATOM 841 CG LYS A 57 0.001 -16.106 -2.223 1.00 0.00 C ATOM 842 CD LYS A 57 -0.293 -17.589 -2.403 1.00 0.00 C ATOM 843 CE LYS A 57 0.686 -18.245 -3.366 1.00 0.00 C ATOM 844 NZ LYS A 57 2.081 -18.248 -2.836 1.00 0.00 N ATOM 0 H LYS A 57 2.295 -13.574 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.370 -14.066 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.763 -16.141 -1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.281 -16.462 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.932 -15.543 -2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.612 -15.751 -3.053 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.243 -18.090 -1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.310 -17.716 -2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.371 -19.270 -3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.663 -17.718 -4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.701 -18.764 -3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.418 -17.269 -2.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.098 -18.714 -1.906 1.00 0.00 H new ATOM 858 N ALA A 58 1.866 -13.022 1.190 1.00 0.00 N ATOM 859 CA ALA A 58 2.545 -12.759 2.451 1.00 0.00 C ATOM 860 C ALA A 58 1.543 -12.534 3.579 1.00 0.00 C ATOM 861 O ALA A 58 0.333 -12.515 3.351 1.00 0.00 O ATOM 862 CB ALA A 58 3.468 -11.557 2.314 1.00 0.00 C ATOM 0 H ALA A 58 1.812 -12.218 0.565 1.00 0.00 H new ATOM 0 HA ALA A 58 3.143 -13.635 2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.969 -11.372 3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.213 -11.756 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.884 -10.680 2.035 1.00 0.00 H new ATOM 868 N SER A 59 2.057 -12.356 4.793 1.00 0.00 N ATOM 869 CA SER A 59 1.214 -12.129 5.962 1.00 0.00 C ATOM 870 C SER A 59 1.069 -10.650 6.259 1.00 0.00 C ATOM 871 O SER A 59 1.983 -9.854 6.035 1.00 0.00 O ATOM 872 CB SER A 59 1.783 -12.846 7.182 1.00 0.00 C ATOM 873 OG SER A 59 1.320 -14.185 7.251 1.00 0.00 O ATOM 0 H SER A 59 3.057 -12.365 4.993 1.00 0.00 H new ATOM 0 HA SER A 59 0.227 -12.533 5.737 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.872 -12.837 7.138 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.496 -12.312 8.088 1.00 0.00 H new ATOM 0 HG SER A 59 1.701 -14.623 8.041 1.00 0.00 H new ATOM 879 N HIS A 60 -0.097 -10.311 6.773 1.00 0.00 N ATOM 880 CA HIS A 60 -0.434 -8.943 7.129 1.00 0.00 C ATOM 881 C HIS A 60 0.578 -8.356 8.108 1.00 0.00 C ATOM 882 O HIS A 60 0.980 -7.201 7.973 1.00 0.00 O ATOM 883 CB HIS A 60 -1.832 -8.923 7.733 1.00 0.00 C ATOM 884 CG HIS A 60 -2.522 -7.599 7.617 1.00 0.00 C ATOM 885 ND1 HIS A 60 -2.038 -6.336 7.701 1.00 0.00 N flip ATOM 886 CD2 HIS A 60 -3.878 -7.474 7.407 1.00 0.00 C flip ATOM 887 CE1 HIS A 60 -3.098 -5.480 7.541 1.00 0.00 C flip ATOM 888 NE2 HIS A 60 -4.198 -6.191 7.365 1.00 0.00 N flip ATOM 0 H HIS A 60 -0.844 -10.981 6.957 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.408 -8.327 6.230 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.440 -9.683 7.243 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.767 -9.197 8.786 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -1.065 -6.071 7.855 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.571 -8.295 7.294 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.043 -4.402 7.556 1.00 0.00 H new ATOM 897 N GLU A 61 0.987 -9.158 9.087 1.00 0.00 N ATOM 898 CA GLU A 61 1.957 -8.711 10.083 1.00 0.00 C ATOM 899 C GLU A 61 3.304 -8.410 9.434 1.00 0.00 C ATOM 900 O GLU A 61 3.951 -7.419 9.767 1.00 0.00 O ATOM 901 CB GLU A 61 2.124 -9.751 11.198 1.00 0.00 C ATOM 902 CG GLU A 61 2.597 -11.116 10.712 1.00 0.00 C ATOM 903 CD GLU A 61 2.501 -12.183 11.785 1.00 0.00 C ATOM 904 OE1 GLU A 61 1.368 -12.580 12.127 1.00 0.00 O ATOM 905 OE2 GLU A 61 3.559 -12.622 12.284 1.00 0.00 O ATOM 0 H GLU A 61 0.664 -10.117 9.212 1.00 0.00 H new ATOM 0 HA GLU A 61 1.574 -7.792 10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.837 -9.371 11.930 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.171 -9.871 11.713 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.001 -11.417 9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.630 -11.039 10.373 1.00 0.00 H new ATOM 912 N ASP A 62 3.715 -9.259 8.498 1.00 0.00 N ATOM 913 CA ASP A 62 4.980 -9.058 7.801 1.00 0.00 C ATOM 914 C ASP A 62 4.890 -7.851 6.877 1.00 0.00 C ATOM 915 O ASP A 62 5.814 -7.042 6.802 1.00 0.00 O ATOM 916 CB ASP A 62 5.371 -10.305 7.005 1.00 0.00 C ATOM 917 CG ASP A 62 6.870 -10.406 6.796 1.00 0.00 C ATOM 918 OD1 ASP A 62 7.414 -9.613 5.998 1.00 0.00 O ATOM 919 OD2 ASP A 62 7.499 -11.275 7.433 1.00 0.00 O ATOM 0 H ASP A 62 3.195 -10.087 8.206 1.00 0.00 H new ATOM 0 HA ASP A 62 5.752 -8.874 8.548 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.018 -11.193 7.529 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.871 -10.287 6.036 1.00 0.00 H new ATOM 924 N VAL A 63 3.763 -7.730 6.180 1.00 0.00 N ATOM 925 CA VAL A 63 3.545 -6.615 5.266 1.00 0.00 C ATOM 926 C VAL A 63 3.419 -5.299 6.028 1.00 0.00 C ATOM 927 O VAL A 63 3.994 -4.286 5.627 1.00 0.00 O ATOM 928 CB VAL A 63 2.289 -6.826 4.388 1.00 0.00 C ATOM 929 CG1 VAL A 63 2.113 -5.672 3.410 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.375 -8.152 3.645 1.00 0.00 C ATOM 0 H VAL A 63 2.988 -8.391 6.231 1.00 0.00 H new ATOM 0 HA VAL A 63 4.416 -6.570 4.613 1.00 0.00 H new ATOM 0 HB VAL A 63 1.416 -6.853 5.040 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.224 -5.842 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.002 -4.740 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.987 -5.607 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.483 -8.284 3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.258 -8.154 3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.445 -8.968 4.364 1.00 0.00 H new ATOM 940 N VAL A 64 2.689 -5.322 7.144 1.00 0.00 N ATOM 941 CA VAL A 64 2.522 -4.133 7.962 1.00 0.00 C ATOM 942 C VAL A 64 3.856 -3.742 8.583 1.00 0.00 C ATOM 943 O VAL A 64 4.186 -2.558 8.675 1.00 0.00 O ATOM 944 CB VAL A 64 1.438 -4.316 9.053 1.00 0.00 C ATOM 945 CG1 VAL A 64 1.925 -5.205 10.188 1.00 0.00 C ATOM 946 CG2 VAL A 64 0.976 -2.965 9.583 1.00 0.00 C ATOM 0 H VAL A 64 2.208 -6.150 7.496 1.00 0.00 H new ATOM 0 HA VAL A 64 2.177 -3.329 7.312 1.00 0.00 H new ATOM 0 HB VAL A 64 0.587 -4.816 8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.136 -5.309 10.933 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.184 -6.188 9.795 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.804 -4.756 10.651 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.215 -3.115 10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.824 -2.434 10.015 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.558 -2.377 8.766 1.00 0.00 H new ATOM 956 N LYS A 65 4.620 -4.755 9.000 1.00 0.00 N ATOM 957 CA LYS A 65 5.923 -4.529 9.606 1.00 0.00 C ATOM 958 C LYS A 65 6.843 -3.756 8.663 1.00 0.00 C ATOM 959 O LYS A 65 7.582 -2.871 9.092 1.00 0.00 O ATOM 960 CB LYS A 65 6.583 -5.853 10.005 1.00 0.00 C ATOM 961 CG LYS A 65 6.108 -6.402 11.343 1.00 0.00 C ATOM 962 CD LYS A 65 7.153 -6.216 12.435 1.00 0.00 C ATOM 963 CE LYS A 65 7.200 -4.776 12.927 1.00 0.00 C ATOM 964 NZ LYS A 65 8.563 -4.182 12.809 1.00 0.00 N ATOM 0 H LYS A 65 4.354 -5.737 8.927 1.00 0.00 H new ATOM 0 HA LYS A 65 5.764 -3.933 10.504 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.387 -6.593 9.230 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.663 -5.712 10.045 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.185 -5.901 11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.876 -7.462 11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.929 -6.879 13.270 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.133 -6.503 12.054 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.493 -4.175 12.354 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.879 -4.739 13.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.546 -3.202 13.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.234 -4.738 13.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.861 -4.192 11.813 1.00 0.00 H new ATOM 978 N LEU A 66 6.787 -4.095 7.374 1.00 0.00 N ATOM 979 CA LEU A 66 7.611 -3.428 6.367 1.00 0.00 C ATOM 980 C LEU A 66 7.198 -1.967 6.212 1.00 0.00 C ATOM 981 O LEU A 66 8.047 -1.077 6.126 1.00 0.00 O ATOM 982 CB LEU A 66 7.506 -4.147 5.020 1.00 0.00 C ATOM 983 CG LEU A 66 7.950 -5.612 5.031 1.00 0.00 C ATOM 984 CD1 LEU A 66 7.303 -6.375 3.883 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.469 -5.709 4.958 1.00 0.00 C ATOM 0 H LEU A 66 6.180 -4.827 7.004 1.00 0.00 H new ATOM 0 HA LEU A 66 8.647 -3.464 6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.472 -4.099 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.107 -3.606 4.289 1.00 0.00 H new ATOM 0 HG LEU A 66 7.624 -6.066 5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.630 -7.414 3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.218 -6.334 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.597 -5.924 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.767 -6.757 4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.820 -5.240 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.908 -5.200 5.816 1.00 0.00 H new ATOM 997 N ILE A 67 5.890 -1.729 6.188 1.00 0.00 N ATOM 998 CA ILE A 67 5.354 -0.376 6.055 1.00 0.00 C ATOM 999 C ILE A 67 5.684 0.458 7.293 1.00 0.00 C ATOM 1000 O ILE A 67 6.042 1.629 7.185 1.00 0.00 O ATOM 1001 CB ILE A 67 3.823 -0.390 5.840 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.459 -1.275 4.643 1.00 0.00 C ATOM 1003 CG2 ILE A 67 3.297 1.027 5.640 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.020 -1.740 4.643 1.00 0.00 C ATOM 0 H ILE A 67 5.179 -2.457 6.259 1.00 0.00 H new ATOM 0 HA ILE A 67 5.823 0.072 5.179 1.00 0.00 H new ATOM 0 HB ILE A 67 3.353 -0.806 6.731 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.653 -0.723 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.113 -2.147 4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.218 0.997 5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.524 1.627 6.521 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.772 1.471 4.766 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.838 -2.361 3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.825 -2.320 5.545 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.358 -0.874 4.618 1.00 0.00 H new ATOM 1016 N GLY A 68 5.573 -0.165 8.467 1.00 0.00 N ATOM 1017 CA GLY A 68 5.875 0.527 9.708 1.00 0.00 C ATOM 1018 C GLY A 68 7.355 0.493 10.069 1.00 0.00 C ATOM 1019 O GLY A 68 7.738 0.904 11.166 1.00 0.00 O ATOM 0 H GLY A 68 5.280 -1.135 8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.551 1.565 9.626 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.300 0.077 10.517 1.00 0.00 H new ATOM 1023 N LYS A 69 8.190 0.002 9.147 1.00 0.00 N ATOM 1024 CA LYS A 69 9.630 -0.080 9.372 1.00 0.00 C ATOM 1025 C LYS A 69 10.344 1.178 8.869 1.00 0.00 C ATOM 1026 O LYS A 69 11.354 1.594 9.438 1.00 0.00 O ATOM 1027 CB LYS A 69 10.203 -1.316 8.674 1.00 0.00 C ATOM 1028 CG LYS A 69 11.701 -1.494 8.871 1.00 0.00 C ATOM 1029 CD LYS A 69 12.003 -2.481 9.986 1.00 0.00 C ATOM 1030 CE LYS A 69 13.094 -1.964 10.911 1.00 0.00 C ATOM 1031 NZ LYS A 69 12.609 -0.857 11.787 1.00 0.00 N ATOM 0 H LYS A 69 7.888 -0.345 8.236 1.00 0.00 H new ATOM 0 HA LYS A 69 9.797 -0.160 10.446 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.689 -2.202 9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.992 -1.250 7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.152 -1.844 7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.155 -0.531 9.103 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.097 -2.669 10.561 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.311 -3.434 9.556 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.461 -2.782 11.531 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.937 -1.612 10.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.352 -0.604 12.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.378 -0.028 11.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.759 -1.167 12.300 1.00 0.00 H new ATOM 1045 N CYS A 70 9.813 1.775 7.800 1.00 0.00 N ATOM 1046 CA CYS A 70 10.398 2.981 7.217 1.00 0.00 C ATOM 1047 C CYS A 70 10.300 4.159 8.185 1.00 0.00 C ATOM 1048 O CYS A 70 11.306 4.792 8.509 1.00 0.00 O ATOM 1049 CB CYS A 70 9.709 3.320 5.892 1.00 0.00 C ATOM 1050 SG CYS A 70 10.837 3.915 4.609 1.00 0.00 S ATOM 0 H CYS A 70 8.977 1.441 7.321 1.00 0.00 H new ATOM 0 HA CYS A 70 11.453 2.788 7.024 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.193 2.433 5.525 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.948 4.079 6.073 1.00 0.00 H new ATOM 0 HG CYS A 70 10.152 4.455 3.645 1.00 0.00 H new ATOM 1056 N SER A 71 9.081 4.446 8.635 1.00 0.00 N ATOM 1057 CA SER A 71 8.832 5.546 9.566 1.00 0.00 C ATOM 1058 C SER A 71 9.161 6.892 8.919 1.00 0.00 C ATOM 1059 O SER A 71 9.659 7.810 9.577 1.00 0.00 O ATOM 1060 CB SER A 71 9.645 5.358 10.855 1.00 0.00 C ATOM 1061 OG SER A 71 8.911 4.625 11.820 1.00 0.00 O ATOM 0 H SER A 71 8.244 3.928 8.368 1.00 0.00 H new ATOM 0 HA SER A 71 7.772 5.540 9.821 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.575 4.837 10.629 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.916 6.332 11.263 1.00 0.00 H new ATOM 0 HG SER A 71 9.452 4.518 12.630 1.00 0.00 H new ATOM 1067 N GLY A 72 8.876 6.997 7.622 1.00 0.00 N ATOM 1068 CA GLY A 72 9.142 8.226 6.892 1.00 0.00 C ATOM 1069 C GLY A 72 8.387 8.293 5.577 1.00 0.00 C ATOM 1070 O GLY A 72 7.816 9.329 5.235 1.00 0.00 O ATOM 0 H GLY A 72 8.464 6.250 7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.865 9.080 7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.212 8.306 6.698 1.00 0.00 H new ATOM 1074 N VAL A 73 8.385 7.181 4.838 1.00 0.00 N ATOM 1075 CA VAL A 73 7.695 7.115 3.554 1.00 0.00 C ATOM 1076 C VAL A 73 7.489 5.669 3.106 1.00 0.00 C ATOM 1077 O VAL A 73 8.375 4.827 3.256 1.00 0.00 O ATOM 1078 CB VAL A 73 8.460 7.899 2.463 1.00 0.00 C ATOM 1079 CG1 VAL A 73 9.874 7.361 2.285 1.00 0.00 C ATOM 1080 CG2 VAL A 73 7.699 7.874 1.147 1.00 0.00 C ATOM 0 H VAL A 73 8.854 6.317 5.109 1.00 0.00 H new ATOM 0 HA VAL A 73 6.718 7.577 3.694 1.00 0.00 H new ATOM 0 HB VAL A 73 8.539 8.936 2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.386 7.933 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.419 7.453 3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.830 6.312 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.256 8.432 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.576 6.842 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.719 8.330 1.285 1.00 0.00 H new ATOM 1090 N LEU A 74 6.309 5.392 2.555 1.00 0.00 N ATOM 1091 CA LEU A 74 5.977 4.050 2.084 1.00 0.00 C ATOM 1092 C LEU A 74 6.071 3.964 0.564 1.00 0.00 C ATOM 1093 O LEU A 74 5.600 4.851 -0.148 1.00 0.00 O ATOM 1094 CB LEU A 74 4.569 3.656 2.541 1.00 0.00 C ATOM 1095 CG LEU A 74 4.077 2.298 2.035 1.00 0.00 C ATOM 1096 CD1 LEU A 74 4.986 1.177 2.524 1.00 0.00 C ATOM 1097 CD2 LEU A 74 2.641 2.055 2.477 1.00 0.00 C ATOM 0 H LEU A 74 5.567 6.079 2.424 1.00 0.00 H new ATOM 0 HA LEU A 74 6.699 3.356 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.546 3.650 3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.869 4.424 2.212 1.00 0.00 H new ATOM 0 HG LEU A 74 4.106 2.307 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.617 0.221 2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.999 1.343 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.994 1.164 3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.306 1.085 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.588 2.068 3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.999 2.838 2.073 1.00 0.00 H new ATOM 1109 N HIS A 75 6.672 2.879 0.079 1.00 0.00 N ATOM 1110 CA HIS A 75 6.828 2.651 -1.355 1.00 0.00 C ATOM 1111 C HIS A 75 6.285 1.275 -1.738 1.00 0.00 C ATOM 1112 O HIS A 75 6.946 0.255 -1.522 1.00 0.00 O ATOM 1113 CB HIS A 75 8.304 2.763 -1.757 1.00 0.00 C ATOM 1114 CG HIS A 75 8.964 4.028 -1.295 1.00 0.00 C ATOM 1115 ND1 HIS A 75 10.197 4.051 -0.677 1.00 0.00 N ATOM 1116 CD2 HIS A 75 8.558 5.317 -1.366 1.00 0.00 C ATOM 1117 CE1 HIS A 75 10.519 5.299 -0.389 1.00 0.00 C ATOM 1118 NE2 HIS A 75 9.544 6.088 -0.796 1.00 0.00 N ATOM 0 H HIS A 75 7.061 2.139 0.664 1.00 0.00 H new ATOM 0 HA HIS A 75 6.260 3.414 -1.888 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.848 1.911 -1.349 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.381 2.700 -2.842 1.00 0.00 H new ATOM 0 HD1 HIS A 75 10.770 3.232 -0.474 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.632 5.674 -1.791 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.428 5.620 0.098 1.00 0.00 H new ATOM 1127 N MET A 76 5.074 1.251 -2.302 1.00 0.00 N ATOM 1128 CA MET A 76 4.441 -0.003 -2.705 1.00 0.00 C ATOM 1129 C MET A 76 3.864 0.090 -4.120 1.00 0.00 C ATOM 1130 O MET A 76 3.312 1.121 -4.509 1.00 0.00 O ATOM 1131 CB MET A 76 3.338 -0.390 -1.713 1.00 0.00 C ATOM 1132 CG MET A 76 2.275 0.681 -1.519 1.00 0.00 C ATOM 1133 SD MET A 76 1.362 0.486 0.022 1.00 0.00 S ATOM 1134 CE MET A 76 0.507 -1.058 -0.273 1.00 0.00 C ATOM 0 H MET A 76 4.516 2.084 -2.488 1.00 0.00 H new ATOM 0 HA MET A 76 5.210 -0.776 -2.703 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.858 -1.305 -2.059 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.794 -0.614 -0.748 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.748 1.663 -1.534 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.577 0.650 -2.356 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.483 -1.018 0.182 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.407 -1.219 -1.346 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.075 -1.878 0.166 1.00 0.00 H new ATOM 1144 N VAL A 77 3.995 -0.999 -4.877 1.00 0.00 N ATOM 1145 CA VAL A 77 3.486 -1.056 -6.246 1.00 0.00 C ATOM 1146 C VAL A 77 2.056 -1.594 -6.271 1.00 0.00 C ATOM 1147 O VAL A 77 1.795 -2.714 -5.824 1.00 0.00 O ATOM 1148 CB VAL A 77 4.375 -1.942 -7.147 1.00 0.00 C ATOM 1149 CG1 VAL A 77 3.942 -1.841 -8.605 1.00 0.00 C ATOM 1150 CG2 VAL A 77 5.843 -1.566 -6.998 1.00 0.00 C ATOM 0 H VAL A 77 4.451 -1.856 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 77 3.500 -0.037 -6.633 1.00 0.00 H new ATOM 0 HB VAL A 77 4.253 -2.976 -6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.583 -2.473 -9.219 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.907 -2.170 -8.701 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.026 -0.807 -8.939 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.449 -2.203 -7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.982 -0.524 -7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.150 -1.702 -5.961 1.00 0.00 H new ATOM 1160 N ILE A 78 1.134 -0.785 -6.793 1.00 0.00 N ATOM 1161 CA ILE A 78 -0.274 -1.169 -6.877 1.00 0.00 C ATOM 1162 C ILE A 78 -0.634 -1.672 -8.277 1.00 0.00 C ATOM 1163 O ILE A 78 0.154 -1.548 -9.217 1.00 0.00 O ATOM 1164 CB ILE A 78 -1.200 0.012 -6.512 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -0.954 1.205 -7.447 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -0.991 0.418 -5.060 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -2.121 2.163 -7.529 1.00 0.00 C ATOM 0 H ILE A 78 1.338 0.143 -7.165 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.422 -1.976 -6.160 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.234 -0.310 -6.637 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.073 1.748 -7.105 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.730 0.832 -8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.650 1.251 -4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.219 -0.427 -4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.046 0.720 -4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.874 2.980 -8.207 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.999 1.635 -7.901 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.332 2.565 -6.538 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.837 -2.236 -8.403 1.00 0.00 N ATOM 1180 CA ALA A 79 -2.316 -2.760 -9.680 1.00 0.00 C ATOM 1181 C ALA A 79 -3.838 -2.647 -9.791 1.00 0.00 C ATOM 1182 O ALA A 79 -4.549 -2.722 -8.787 1.00 0.00 O ATOM 1183 CB ALA A 79 -1.874 -4.204 -9.856 1.00 0.00 C ATOM 0 H ALA A 79 -2.498 -2.341 -7.633 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.879 -2.159 -10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.238 -4.582 -10.812 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.785 -4.256 -9.836 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.282 -4.810 -9.047 1.00 0.00 H new ATOM 1189 N GLU A 80 -4.328 -2.466 -11.019 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.759 -2.336 -11.271 1.00 0.00 C ATOM 1191 C GLU A 80 -6.365 -3.662 -11.733 1.00 0.00 C ATOM 1192 O GLU A 80 -5.647 -4.577 -12.141 1.00 0.00 O ATOM 1193 CB GLU A 80 -6.013 -1.253 -12.326 1.00 0.00 C ATOM 1194 CG GLU A 80 -6.960 -0.156 -11.861 1.00 0.00 C ATOM 1195 CD GLU A 80 -6.575 1.213 -12.392 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -5.795 1.914 -11.713 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -7.051 1.581 -13.486 1.00 0.00 O ATOM 0 H GLU A 80 -3.749 -2.406 -11.857 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.239 -2.050 -10.335 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.061 -0.803 -12.609 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.424 -1.720 -13.221 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.973 -0.395 -12.184 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.971 -0.129 -10.771 1.00 0.00 H new