USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 554 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 17 CYS SG : rot 90:sc= 1.11 USER MOD Set 1.2: A 48 THR OG1 : rot -78:sc= 1.37 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 73:sc= 0.656 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0216 USER MOD Single : A 56 TYR OH : rot 130:sc= -0.0755 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0392 USER MOD Single : A 79 ASN : amide:sc= -1.8 X(o=-1.8,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -3.428 10.857 -3.207 1.00 0.00 N ATOM 45 CA LEU A 4 -2.931 9.604 -2.645 1.00 0.00 C ATOM 46 C LEU A 4 -3.690 8.415 -3.223 1.00 0.00 C ATOM 47 O LEU A 4 -4.800 8.556 -3.738 1.00 0.00 O ATOM 48 CB LEU A 4 -3.087 9.601 -1.123 1.00 0.00 C ATOM 49 CG LEU A 4 -4.546 9.884 -0.757 1.00 0.00 C ATOM 50 CD1 LEU A 4 -4.912 9.115 0.513 1.00 0.00 C ATOM 51 CD2 LEU A 4 -4.730 11.384 -0.515 1.00 0.00 C ATOM 0 HA LEU A 4 -1.876 9.519 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.780 8.637 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.437 10.355 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.193 9.565 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.951 9.317 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.782 8.046 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.265 9.433 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.769 11.586 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.082 11.703 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.470 11.933 -1.420 1.00 0.00 H new ATOM 63 N LEU A 5 -3.077 7.238 -3.129 1.00 0.00 N ATOM 64 CA LEU A 5 -3.697 6.020 -3.641 1.00 0.00 C ATOM 65 C LEU A 5 -4.474 5.319 -2.529 1.00 0.00 C ATOM 66 O LEU A 5 -4.348 5.662 -1.354 1.00 0.00 O ATOM 67 CB LEU A 5 -2.624 5.070 -4.193 1.00 0.00 C ATOM 68 CG LEU A 5 -3.080 4.486 -5.535 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.231 5.611 -6.562 1.00 0.00 C ATOM 70 CD2 LEU A 5 -2.035 3.486 -6.033 1.00 0.00 C ATOM 0 H LEU A 5 -2.159 7.102 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.383 6.291 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.683 5.606 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.438 4.266 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.038 3.984 -5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.555 5.193 -7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.972 6.328 -6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.273 6.114 -6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.356 3.069 -6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.079 3.993 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.924 2.683 -5.305 1.00 0.00 H new ATOM 82 N THR A 6 -5.283 4.336 -2.911 1.00 0.00 N ATOM 83 CA THR A 6 -6.077 3.597 -1.933 1.00 0.00 C ATOM 84 C THR A 6 -5.913 2.094 -2.135 1.00 0.00 C ATOM 85 O THR A 6 -5.417 1.641 -3.167 1.00 0.00 O ATOM 86 CB THR A 6 -7.559 3.958 -2.064 1.00 0.00 C ATOM 87 OG1 THR A 6 -7.679 5.322 -2.445 1.00 0.00 O ATOM 88 CG2 THR A 6 -8.260 3.736 -0.723 1.00 0.00 C ATOM 0 H THR A 6 -5.406 4.035 -3.878 1.00 0.00 H new ATOM 0 HA THR A 6 -5.722 3.870 -0.939 1.00 0.00 H new ATOM 0 HB THR A 6 -8.023 3.327 -2.822 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.627 5.555 -2.531 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.315 3.993 -0.817 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.166 2.690 -0.432 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.799 4.367 0.037 1.00 0.00 H new ATOM 96 N THR A 7 -6.344 1.322 -1.139 1.00 0.00 N ATOM 97 CA THR A 7 -6.248 -0.133 -1.220 1.00 0.00 C ATOM 98 C THR A 7 -7.094 -0.644 -2.380 1.00 0.00 C ATOM 99 O THR A 7 -6.659 -1.490 -3.159 1.00 0.00 O ATOM 100 CB THR A 7 -6.727 -0.782 0.081 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.040 -0.199 1.180 1.00 0.00 O ATOM 102 CG2 THR A 7 -6.444 -2.284 0.037 1.00 0.00 C ATOM 0 H THR A 7 -6.758 1.675 -0.276 1.00 0.00 H new ATOM 0 HA THR A 7 -5.203 -0.398 -1.381 1.00 0.00 H new ATOM 0 HB THR A 7 -7.799 -0.620 0.196 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.347 -0.612 2.014 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.785 -2.746 0.964 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.972 -2.729 -0.806 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.373 -2.449 -0.078 1.00 0.00 H new ATOM 110 N ASP A 8 -8.305 -0.109 -2.494 1.00 0.00 N ATOM 111 CA ASP A 8 -9.202 -0.506 -3.577 1.00 0.00 C ATOM 112 C ASP A 8 -8.563 -0.201 -4.933 1.00 0.00 C ATOM 113 O ASP A 8 -8.850 -0.861 -5.932 1.00 0.00 O ATOM 114 CB ASP A 8 -10.535 0.238 -3.475 1.00 0.00 C ATOM 115 CG ASP A 8 -11.602 -0.521 -4.259 1.00 0.00 C ATOM 116 OD1 ASP A 8 -12.219 -1.401 -3.682 1.00 0.00 O ATOM 117 OD2 ASP A 8 -11.785 -0.209 -5.424 1.00 0.00 O ATOM 0 H ASP A 8 -8.686 0.592 -1.859 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.381 -1.578 -3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.833 0.331 -2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.430 1.249 -3.868 1.00 0.00 H new ATOM 122 N ASP A 9 -7.691 0.807 -4.954 1.00 0.00 N ATOM 123 CA ASP A 9 -7.012 1.190 -6.187 1.00 0.00 C ATOM 124 C ASP A 9 -6.006 0.119 -6.595 1.00 0.00 C ATOM 125 O ASP A 9 -5.893 -0.229 -7.770 1.00 0.00 O ATOM 126 CB ASP A 9 -6.277 2.520 -6.004 1.00 0.00 C ATOM 127 CG ASP A 9 -6.117 3.204 -7.357 1.00 0.00 C ATOM 128 OD1 ASP A 9 -5.379 2.683 -8.178 1.00 0.00 O ATOM 129 OD2 ASP A 9 -6.734 4.238 -7.553 1.00 0.00 O ATOM 0 H ASP A 9 -7.441 1.367 -4.139 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.766 1.297 -6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.833 3.164 -5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.299 2.348 -5.554 1.00 0.00 H new ATOM 134 N LEU A 10 -5.275 -0.406 -5.611 1.00 0.00 N ATOM 135 CA LEU A 10 -4.284 -1.441 -5.891 1.00 0.00 C ATOM 136 C LEU A 10 -4.979 -2.693 -6.440 1.00 0.00 C ATOM 137 O LEU A 10 -4.434 -3.409 -7.280 1.00 0.00 O ATOM 138 CB LEU A 10 -3.446 -1.760 -4.619 1.00 0.00 C ATOM 139 CG LEU A 10 -4.043 -2.917 -3.795 1.00 0.00 C ATOM 140 CD1 LEU A 10 -3.492 -4.243 -4.319 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.660 -2.761 -2.324 1.00 0.00 C ATOM 0 H LEU A 10 -5.349 -0.137 -4.630 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.592 -1.077 -6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.428 -2.015 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.384 -0.868 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.129 -2.901 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.911 -5.066 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.765 -4.362 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.406 -4.249 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.086 -3.583 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.574 -2.774 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.046 -1.814 -1.946 1.00 0.00 H new ATOM 153 N ARG A 11 -6.189 -2.937 -5.944 1.00 0.00 N ATOM 154 CA ARG A 11 -6.965 -4.096 -6.373 1.00 0.00 C ATOM 155 C ARG A 11 -7.291 -3.997 -7.860 1.00 0.00 C ATOM 156 O ARG A 11 -6.992 -4.901 -8.638 1.00 0.00 O ATOM 157 CB ARG A 11 -8.271 -4.181 -5.580 1.00 0.00 C ATOM 158 CG ARG A 11 -8.651 -5.648 -5.365 1.00 0.00 C ATOM 159 CD ARG A 11 -9.830 -5.731 -4.396 1.00 0.00 C ATOM 160 NE ARG A 11 -11.066 -5.311 -5.051 1.00 0.00 N ATOM 161 CZ ARG A 11 -12.251 -5.554 -4.499 1.00 0.00 C ATOM 162 NH1 ARG A 11 -12.443 -5.308 -3.232 1.00 0.00 N ATOM 163 NH2 ARG A 11 -13.221 -6.038 -5.225 1.00 0.00 N ATOM 0 H ARG A 11 -6.651 -2.351 -5.249 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.369 -4.991 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.157 -3.680 -4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.067 -3.664 -6.116 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.915 -6.110 -6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.800 -6.201 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.935 -6.752 -4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.639 -5.099 -3.528 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.019 -4.824 -5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.684 -4.929 -2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.352 -5.494 -2.808 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.070 -6.230 -6.215 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.130 -6.225 -4.802 1.00 0.00 H new ATOM 177 N ARG A 12 -7.915 -2.886 -8.239 1.00 0.00 N ATOM 178 CA ARG A 12 -8.289 -2.664 -9.634 1.00 0.00 C ATOM 179 C ARG A 12 -7.058 -2.638 -10.543 1.00 0.00 C ATOM 180 O ARG A 12 -7.163 -2.861 -11.749 1.00 0.00 O ATOM 181 CB ARG A 12 -9.043 -1.338 -9.776 1.00 0.00 C ATOM 182 CG ARG A 12 -10.549 -1.586 -9.642 1.00 0.00 C ATOM 183 CD ARG A 12 -11.178 -1.693 -11.032 1.00 0.00 C ATOM 184 NE ARG A 12 -12.306 -2.621 -11.018 1.00 0.00 N ATOM 185 CZ ARG A 12 -13.558 -2.177 -11.080 1.00 0.00 C ATOM 186 NH1 ARG A 12 -14.122 -1.664 -10.021 1.00 0.00 N ATOM 187 NH2 ARG A 12 -14.223 -2.254 -12.201 1.00 0.00 N ATOM 0 H ARG A 12 -8.172 -2.129 -7.605 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.932 -3.491 -9.937 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.711 -0.635 -9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.823 -0.885 -10.743 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.728 -2.502 -9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.013 -0.773 -9.083 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.514 -0.710 -11.361 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.431 -2.032 -11.750 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.131 -3.624 -10.960 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.603 -1.603 -9.145 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.082 -1.324 -10.069 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.782 -2.655 -13.029 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.183 -1.914 -12.249 1.00 0.00 H new ATOM 201 N ALA A 13 -5.894 -2.354 -9.961 1.00 0.00 N ATOM 202 CA ALA A 13 -4.660 -2.296 -10.743 1.00 0.00 C ATOM 203 C ALA A 13 -4.085 -3.696 -10.964 1.00 0.00 C ATOM 204 O ALA A 13 -3.403 -3.949 -11.957 1.00 0.00 O ATOM 205 CB ALA A 13 -3.615 -1.439 -10.028 1.00 0.00 C ATOM 0 H ALA A 13 -5.779 -2.163 -8.966 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.902 -1.852 -11.709 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.702 -1.406 -10.623 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.001 -0.428 -9.899 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.396 -1.871 -9.052 1.00 0.00 H new ATOM 211 N LEU A 14 -4.362 -4.599 -10.027 1.00 0.00 N ATOM 212 CA LEU A 14 -3.859 -5.969 -10.131 1.00 0.00 C ATOM 213 C LEU A 14 -4.732 -6.798 -11.072 1.00 0.00 C ATOM 214 O LEU A 14 -4.258 -7.737 -11.710 1.00 0.00 O ATOM 215 CB LEU A 14 -3.835 -6.633 -8.751 1.00 0.00 C ATOM 216 CG LEU A 14 -2.463 -6.420 -8.102 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.633 -6.198 -6.597 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.589 -7.655 -8.336 1.00 0.00 C ATOM 0 H LEU A 14 -4.924 -4.412 -9.197 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.846 -5.924 -10.532 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.617 -6.211 -8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.042 -7.699 -8.845 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.988 -5.546 -8.546 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.656 -6.047 -6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.253 -5.318 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.111 -7.071 -6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.613 -7.503 -7.874 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.068 -8.529 -7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.463 -7.814 -9.407 1.00 0.00 H new ATOM 230 N VAL A 15 -6.011 -6.441 -11.153 1.00 0.00 N ATOM 231 CA VAL A 15 -6.939 -7.163 -12.021 1.00 0.00 C ATOM 232 C VAL A 15 -6.838 -6.644 -13.452 1.00 0.00 C ATOM 233 O VAL A 15 -6.908 -7.410 -14.413 1.00 0.00 O ATOM 234 CB VAL A 15 -8.379 -6.996 -11.529 1.00 0.00 C ATOM 235 CG1 VAL A 15 -9.304 -7.914 -12.331 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.462 -7.364 -10.045 1.00 0.00 C ATOM 0 H VAL A 15 -6.426 -5.666 -10.635 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.671 -8.219 -11.996 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.687 -5.959 -11.664 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.329 -7.794 -11.980 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.249 -7.652 -13.388 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.993 -8.950 -12.197 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.488 -7.244 -9.697 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.151 -8.400 -9.909 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.806 -6.710 -9.471 1.00 0.00 H new ATOM 246 N GLU A 16 -6.675 -5.330 -13.580 1.00 0.00 N ATOM 247 CA GLU A 16 -6.567 -4.709 -14.896 1.00 0.00 C ATOM 248 C GLU A 16 -5.345 -5.239 -15.641 1.00 0.00 C ATOM 249 O GLU A 16 -5.342 -5.335 -16.868 1.00 0.00 O ATOM 250 CB GLU A 16 -6.451 -3.189 -14.762 1.00 0.00 C ATOM 251 CG GLU A 16 -7.851 -2.572 -14.732 1.00 0.00 C ATOM 252 CD GLU A 16 -7.759 -1.084 -15.053 1.00 0.00 C ATOM 253 OE1 GLU A 16 -7.156 -0.750 -16.059 1.00 0.00 O ATOM 254 OE2 GLU A 16 -8.294 -0.298 -14.287 1.00 0.00 O ATOM 0 H GLU A 16 -6.615 -4.680 -12.796 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.467 -4.956 -15.458 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.910 -2.934 -13.851 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.880 -2.782 -15.597 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.496 -3.072 -15.455 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.302 -2.716 -13.750 1.00 0.00 H new ATOM 261 N CYS A 17 -4.305 -5.583 -14.884 1.00 0.00 N ATOM 262 CA CYS A 17 -3.080 -6.104 -15.484 1.00 0.00 C ATOM 263 C CYS A 17 -3.335 -7.471 -16.110 1.00 0.00 C ATOM 264 O CYS A 17 -3.036 -7.698 -17.283 1.00 0.00 O ATOM 265 CB CYS A 17 -1.980 -6.237 -14.428 1.00 0.00 C ATOM 266 SG CYS A 17 -1.084 -4.671 -14.287 1.00 0.00 S ATOM 0 H CYS A 17 -4.285 -5.512 -13.867 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.759 -5.404 -16.255 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.416 -6.507 -13.466 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.293 -7.038 -14.702 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.657 -3.922 -13.392 1.00 0.00 H new ATOM 272 N ALA A 18 -3.892 -8.379 -15.315 1.00 0.00 N ATOM 273 CA ALA A 18 -4.185 -9.726 -15.798 1.00 0.00 C ATOM 274 C ALA A 18 -5.631 -10.102 -15.486 1.00 0.00 C ATOM 275 O ALA A 18 -5.930 -10.648 -14.423 1.00 0.00 O ATOM 276 CB ALA A 18 -3.253 -10.745 -15.142 1.00 0.00 C ATOM 0 H ALA A 18 -4.148 -8.210 -14.342 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.031 -9.736 -16.877 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.486 -11.743 -15.514 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.219 -10.500 -15.383 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.389 -10.720 -14.061 1.00 0.00 H new ATOM 400 N ASP A 29 -10.279 -10.089 2.926 1.00 0.00 N ATOM 401 CA ASP A 29 -8.895 -10.553 2.979 1.00 0.00 C ATOM 402 C ASP A 29 -8.381 -10.882 1.581 1.00 0.00 C ATOM 403 O ASP A 29 -8.697 -11.930 1.019 1.00 0.00 O ATOM 404 CB ASP A 29 -8.782 -11.803 3.855 1.00 0.00 C ATOM 405 CG ASP A 29 -9.322 -11.500 5.248 1.00 0.00 C ATOM 406 OD1 ASP A 29 -10.513 -11.263 5.363 1.00 0.00 O ATOM 407 OD2 ASP A 29 -8.534 -11.509 6.181 1.00 0.00 O ATOM 0 HA ASP A 29 -8.293 -9.751 3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.341 -12.625 3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.742 -12.122 3.918 1.00 0.00 H new ATOM 412 N PHE A 30 -7.579 -9.975 1.028 1.00 0.00 N ATOM 413 CA PHE A 30 -7.017 -10.183 -0.305 1.00 0.00 C ATOM 414 C PHE A 30 -5.580 -9.662 -0.386 1.00 0.00 C ATOM 415 O PHE A 30 -5.068 -9.389 -1.472 1.00 0.00 O ATOM 416 CB PHE A 30 -7.871 -9.475 -1.362 1.00 0.00 C ATOM 417 CG PHE A 30 -7.905 -7.983 -1.102 1.00 0.00 C ATOM 418 CD1 PHE A 30 -8.621 -7.477 -0.010 1.00 0.00 C ATOM 419 CD2 PHE A 30 -7.227 -7.106 -1.960 1.00 0.00 C ATOM 420 CE1 PHE A 30 -8.657 -6.097 0.223 1.00 0.00 C ATOM 421 CE2 PHE A 30 -7.262 -5.728 -1.724 1.00 0.00 C ATOM 422 CZ PHE A 30 -7.978 -5.224 -0.633 1.00 0.00 C ATOM 0 H PHE A 30 -7.306 -9.100 1.475 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.014 -11.256 -0.497 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.465 -9.668 -2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.884 -9.876 -1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.145 -8.151 0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.677 -7.495 -2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.210 -5.706 1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.737 -5.053 -2.384 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.006 -4.160 -0.452 1.00 0.00 H new ATOM 432 N LEU A 31 -4.935 -9.523 0.771 1.00 0.00 N ATOM 433 CA LEU A 31 -3.562 -9.028 0.807 1.00 0.00 C ATOM 434 C LEU A 31 -2.697 -9.913 1.700 1.00 0.00 C ATOM 435 O LEU A 31 -1.751 -9.443 2.333 1.00 0.00 O ATOM 436 CB LEU A 31 -3.524 -7.593 1.336 1.00 0.00 C ATOM 437 CG LEU A 31 -4.330 -6.684 0.403 1.00 0.00 C ATOM 438 CD1 LEU A 31 -4.908 -5.512 1.198 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.414 -6.154 -0.703 1.00 0.00 C ATOM 0 H LEU A 31 -5.335 -9.743 1.683 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.171 -9.049 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.936 -7.555 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.493 -7.245 1.400 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.147 -7.252 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.481 -4.867 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.560 -5.892 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.095 -4.940 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.985 -5.507 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.597 -5.587 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.008 -6.991 -1.271 1.00 0.00 H new ATOM 451 N ASP A 32 -3.029 -11.201 1.739 1.00 0.00 N ATOM 452 CA ASP A 32 -2.273 -12.148 2.553 1.00 0.00 C ATOM 453 C ASP A 32 -1.154 -12.772 1.726 1.00 0.00 C ATOM 454 O ASP A 32 -0.074 -13.070 2.238 1.00 0.00 O ATOM 455 CB ASP A 32 -3.187 -13.257 3.076 1.00 0.00 C ATOM 456 CG ASP A 32 -3.776 -12.842 4.420 1.00 0.00 C ATOM 457 OD1 ASP A 32 -4.632 -11.973 4.428 1.00 0.00 O ATOM 458 OD2 ASP A 32 -3.361 -13.399 5.423 1.00 0.00 O ATOM 0 H ASP A 32 -3.808 -11.609 1.222 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.847 -11.607 3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.987 -13.451 2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.625 -14.185 3.185 1.00 0.00 H new ATOM 463 N LEU A 33 -1.427 -12.965 0.439 1.00 0.00 N ATOM 464 CA LEU A 33 -0.441 -13.553 -0.465 1.00 0.00 C ATOM 465 C LEU A 33 -0.935 -13.468 -1.909 1.00 0.00 C ATOM 466 O LEU A 33 -1.074 -14.478 -2.600 1.00 0.00 O ATOM 467 CB LEU A 33 -0.183 -15.019 -0.098 1.00 0.00 C ATOM 468 CG LEU A 33 -1.516 -15.777 -0.033 1.00 0.00 C ATOM 469 CD1 LEU A 33 -1.341 -17.175 -0.638 1.00 0.00 C ATOM 470 CD2 LEU A 33 -1.971 -15.902 1.429 1.00 0.00 C ATOM 0 H LEU A 33 -2.316 -12.725 -0.000 1.00 0.00 H new ATOM 0 HA LEU A 33 0.490 -12.994 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.473 -15.479 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.328 -15.079 0.863 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.270 -15.229 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.288 -17.713 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.026 -17.085 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.585 -17.723 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.918 -16.441 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.218 -16.447 1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.100 -14.908 1.856 1.00 0.00 H new ATOM 482 N ARG A 34 -1.202 -12.244 -2.357 1.00 0.00 N ATOM 483 CA ARG A 34 -1.685 -12.027 -3.719 1.00 0.00 C ATOM 484 C ARG A 34 -0.538 -12.141 -4.720 1.00 0.00 C ATOM 485 O ARG A 34 -0.730 -12.572 -5.857 1.00 0.00 O ATOM 486 CB ARG A 34 -2.326 -10.642 -3.847 1.00 0.00 C ATOM 487 CG ARG A 34 -3.006 -10.515 -5.212 1.00 0.00 C ATOM 488 CD ARG A 34 -4.470 -10.941 -5.096 1.00 0.00 C ATOM 489 NE ARG A 34 -4.943 -11.512 -6.354 1.00 0.00 N ATOM 490 CZ ARG A 34 -6.069 -12.218 -6.405 1.00 0.00 C ATOM 491 NH1 ARG A 34 -6.117 -13.409 -5.875 1.00 0.00 N ATOM 492 NH2 ARG A 34 -7.126 -11.719 -6.984 1.00 0.00 N ATOM 0 H ARG A 34 -1.094 -11.394 -1.803 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.430 -12.792 -3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.055 -10.493 -3.051 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.568 -9.867 -3.734 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.943 -9.486 -5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.492 -11.137 -5.945 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.579 -11.673 -4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.084 -10.081 -4.828 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.402 -11.367 -7.206 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.291 -13.799 -5.421 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.981 -13.950 -5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.089 -10.787 -7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.990 -12.260 -7.023 1.00 0.00 H new ATOM 506 N PHE A 35 0.655 -11.746 -4.285 1.00 0.00 N ATOM 507 CA PHE A 35 1.830 -11.806 -5.153 1.00 0.00 C ATOM 508 C PHE A 35 2.449 -13.206 -5.153 1.00 0.00 C ATOM 509 O PHE A 35 3.200 -13.560 -6.060 1.00 0.00 O ATOM 510 CB PHE A 35 2.886 -10.797 -4.696 1.00 0.00 C ATOM 511 CG PHE A 35 2.582 -9.442 -5.287 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.325 -8.857 -5.086 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.556 -8.766 -6.033 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.043 -7.599 -5.631 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.272 -7.508 -6.575 1.00 0.00 C ATOM 516 CZ PHE A 35 2.018 -6.926 -6.376 1.00 0.00 C ATOM 0 H PHE A 35 0.834 -11.385 -3.348 1.00 0.00 H new ATOM 0 HA PHE A 35 1.501 -11.563 -6.163 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.898 -10.736 -3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.877 -11.127 -5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.573 -9.377 -4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.525 -9.216 -6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.074 -7.148 -5.477 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.024 -6.986 -7.148 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.801 -5.956 -6.797 1.00 0.00 H new ATOM 526 N GLU A 36 2.135 -13.999 -4.129 1.00 0.00 N ATOM 527 CA GLU A 36 2.680 -15.352 -4.037 1.00 0.00 C ATOM 528 C GLU A 36 1.660 -16.400 -4.498 1.00 0.00 C ATOM 529 O GLU A 36 2.018 -17.551 -4.753 1.00 0.00 O ATOM 530 CB GLU A 36 3.092 -15.663 -2.596 1.00 0.00 C ATOM 531 CG GLU A 36 4.254 -14.756 -2.191 1.00 0.00 C ATOM 532 CD GLU A 36 4.475 -14.853 -0.686 1.00 0.00 C ATOM 533 OE1 GLU A 36 5.147 -15.780 -0.264 1.00 0.00 O ATOM 534 OE2 GLU A 36 3.970 -13.999 0.024 1.00 0.00 O ATOM 0 H GLU A 36 1.516 -13.733 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 36 3.551 -15.396 -4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.247 -15.511 -1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.385 -16.709 -2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.160 -15.049 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.039 -13.725 -2.472 1.00 0.00 H new ATOM 541 N ASP A 37 0.389 -16.005 -4.595 1.00 0.00 N ATOM 542 CA ASP A 37 -0.657 -16.936 -5.017 1.00 0.00 C ATOM 543 C ASP A 37 -0.372 -17.487 -6.412 1.00 0.00 C ATOM 544 O ASP A 37 -0.227 -18.695 -6.598 1.00 0.00 O ATOM 545 CB ASP A 37 -2.021 -16.243 -5.033 1.00 0.00 C ATOM 546 CG ASP A 37 -3.120 -17.289 -5.185 1.00 0.00 C ATOM 547 OD1 ASP A 37 -3.045 -18.301 -4.508 1.00 0.00 O ATOM 548 OD2 ASP A 37 -4.021 -17.062 -5.975 1.00 0.00 O ATOM 0 H ASP A 37 0.063 -15.060 -4.390 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.669 -17.757 -4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.165 -15.679 -4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.068 -15.528 -5.855 1.00 0.00 H new ATOM 553 N ILE A 38 -0.305 -16.590 -7.391 1.00 0.00 N ATOM 554 CA ILE A 38 -0.049 -17.004 -8.773 1.00 0.00 C ATOM 555 C ILE A 38 1.433 -16.880 -9.119 1.00 0.00 C ATOM 556 O ILE A 38 1.796 -16.714 -10.284 1.00 0.00 O ATOM 557 CB ILE A 38 -0.851 -16.145 -9.760 1.00 0.00 C ATOM 558 CG1 ILE A 38 -2.299 -16.003 -9.275 1.00 0.00 C ATOM 559 CG2 ILE A 38 -0.839 -16.812 -11.137 1.00 0.00 C ATOM 560 CD1 ILE A 38 -3.058 -15.042 -10.193 1.00 0.00 C ATOM 0 H ILE A 38 -0.422 -15.585 -7.260 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.357 -18.046 -8.856 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.398 -15.156 -9.825 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.788 -16.977 -9.268 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.315 -15.631 -8.250 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.408 -16.204 -11.841 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.189 -16.906 -11.487 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.290 -17.802 -11.066 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.086 -14.943 -9.846 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.574 -14.065 -10.177 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.055 -15.432 -11.211 1.00 0.00 H new ATOM 572 N GLY A 39 2.292 -16.960 -8.102 1.00 0.00 N ATOM 573 CA GLY A 39 3.734 -16.852 -8.325 1.00 0.00 C ATOM 574 C GLY A 39 4.080 -15.543 -9.031 1.00 0.00 C ATOM 575 O GLY A 39 4.956 -15.499 -9.894 1.00 0.00 O ATOM 0 H GLY A 39 2.020 -17.097 -7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.258 -16.905 -7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.077 -17.695 -8.925 1.00 0.00 H new ATOM 579 N TYR A 40 3.373 -14.479 -8.655 1.00 0.00 N ATOM 580 CA TYR A 40 3.600 -13.167 -9.260 1.00 0.00 C ATOM 581 C TYR A 40 5.044 -12.720 -9.039 1.00 0.00 C ATOM 582 O TYR A 40 5.368 -12.087 -8.034 1.00 0.00 O ATOM 583 CB TYR A 40 2.650 -12.122 -8.646 1.00 0.00 C ATOM 584 CG TYR A 40 1.588 -11.735 -9.651 1.00 0.00 C ATOM 585 CD1 TYR A 40 0.439 -12.524 -9.800 1.00 0.00 C ATOM 586 CD2 TYR A 40 1.755 -10.587 -10.435 1.00 0.00 C ATOM 587 CE1 TYR A 40 -0.542 -12.163 -10.731 1.00 0.00 C ATOM 588 CE2 TYR A 40 0.775 -10.227 -11.367 1.00 0.00 C ATOM 589 CZ TYR A 40 -0.374 -11.014 -11.515 1.00 0.00 C ATOM 590 OH TYR A 40 -1.340 -10.659 -12.434 1.00 0.00 O ATOM 0 H TYR A 40 2.645 -14.498 -7.941 1.00 0.00 H new ATOM 0 HA TYR A 40 3.407 -13.250 -10.329 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.183 -12.526 -7.748 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.214 -11.240 -8.342 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.311 -13.410 -9.197 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.640 -9.979 -10.320 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.428 -12.770 -10.845 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.905 -9.342 -11.972 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.068 -9.837 -12.893 1.00 0.00 H new ATOM 600 N ASP A 41 5.905 -13.047 -9.999 1.00 0.00 N ATOM 601 CA ASP A 41 7.307 -12.664 -9.907 1.00 0.00 C ATOM 602 C ASP A 41 7.477 -11.222 -10.366 1.00 0.00 C ATOM 603 O ASP A 41 6.547 -10.611 -10.887 1.00 0.00 O ATOM 604 CB ASP A 41 8.180 -13.580 -10.770 1.00 0.00 C ATOM 605 CG ASP A 41 7.671 -13.573 -12.208 1.00 0.00 C ATOM 606 OD1 ASP A 41 6.774 -14.346 -12.503 1.00 0.00 O ATOM 607 OD2 ASP A 41 8.187 -12.797 -12.994 1.00 0.00 O ATOM 0 H ASP A 41 5.659 -13.570 -10.839 1.00 0.00 H new ATOM 0 HA ASP A 41 7.622 -12.760 -8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.217 -13.244 -10.740 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.162 -14.595 -10.373 1.00 0.00 H new ATOM 612 N SER A 42 8.671 -10.685 -10.160 1.00 0.00 N ATOM 613 CA SER A 42 8.952 -9.306 -10.552 1.00 0.00 C ATOM 614 C SER A 42 8.793 -9.123 -12.058 1.00 0.00 C ATOM 615 O SER A 42 8.341 -8.078 -12.524 1.00 0.00 O ATOM 616 CB SER A 42 10.376 -8.917 -10.153 1.00 0.00 C ATOM 617 OG SER A 42 10.507 -7.502 -10.201 1.00 0.00 O ATOM 0 H SER A 42 9.455 -11.175 -9.729 1.00 0.00 H new ATOM 0 HA SER A 42 8.237 -8.665 -10.036 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.597 -9.280 -9.149 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.095 -9.383 -10.826 1.00 0.00 H new ATOM 0 HG SER A 42 10.022 -7.103 -9.449 1.00 0.00 H new ATOM 623 N LEU A 43 9.178 -10.148 -12.814 1.00 0.00 N ATOM 624 CA LEU A 43 9.085 -10.087 -14.271 1.00 0.00 C ATOM 625 C LEU A 43 7.633 -9.911 -14.721 1.00 0.00 C ATOM 626 O LEU A 43 7.362 -9.313 -15.762 1.00 0.00 O ATOM 627 CB LEU A 43 9.659 -11.373 -14.896 1.00 0.00 C ATOM 628 CG LEU A 43 10.703 -11.031 -15.972 1.00 0.00 C ATOM 629 CD1 LEU A 43 10.058 -10.190 -17.079 1.00 0.00 C ATOM 630 CD2 LEU A 43 11.857 -10.244 -15.342 1.00 0.00 C ATOM 0 H LEU A 43 9.554 -11.023 -12.447 1.00 0.00 H new ATOM 0 HA LEU A 43 9.664 -9.227 -14.607 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.116 -11.988 -14.121 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.854 -11.961 -15.336 1.00 0.00 H new ATOM 0 HG LEU A 43 11.085 -11.957 -16.401 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.804 -9.952 -17.837 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.244 -10.753 -17.536 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.667 -9.266 -16.653 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.594 -10.004 -16.108 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.473 -9.322 -14.906 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.326 -10.846 -14.563 1.00 0.00 H new ATOM 642 N ALA A 44 6.707 -10.443 -13.929 1.00 0.00 N ATOM 643 CA ALA A 44 5.286 -10.342 -14.262 1.00 0.00 C ATOM 644 C ALA A 44 4.752 -8.951 -13.940 1.00 0.00 C ATOM 645 O ALA A 44 4.099 -8.313 -14.766 1.00 0.00 O ATOM 646 CB ALA A 44 4.480 -11.379 -13.478 1.00 0.00 C ATOM 0 H ALA A 44 6.909 -10.943 -13.063 1.00 0.00 H new ATOM 0 HA ALA A 44 5.180 -10.528 -15.331 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.425 -11.291 -13.737 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.833 -12.379 -13.729 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.607 -11.206 -12.409 1.00 0.00 H new ATOM 652 N LEU A 45 5.031 -8.491 -12.724 1.00 0.00 N ATOM 653 CA LEU A 45 4.572 -7.173 -12.286 1.00 0.00 C ATOM 654 C LEU A 45 5.598 -6.080 -12.588 1.00 0.00 C ATOM 655 O LEU A 45 5.539 -4.988 -12.027 1.00 0.00 O ATOM 656 CB LEU A 45 4.292 -7.198 -10.787 1.00 0.00 C ATOM 657 CG LEU A 45 5.563 -7.593 -10.011 1.00 0.00 C ATOM 658 CD1 LEU A 45 6.038 -6.413 -9.160 1.00 0.00 C ATOM 659 CD2 LEU A 45 5.258 -8.783 -9.092 1.00 0.00 C ATOM 0 H LEU A 45 5.569 -9.006 -12.027 1.00 0.00 H new ATOM 0 HA LEU A 45 3.661 -6.943 -12.839 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.947 -6.218 -10.458 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.492 -7.906 -10.572 1.00 0.00 H new ATOM 0 HG LEU A 45 6.342 -7.868 -10.722 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.937 -6.697 -8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.260 -5.564 -9.807 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.256 -6.136 -8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.159 -9.060 -8.544 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.475 -8.506 -8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.923 -9.629 -9.692 1.00 0.00 H new ATOM 671 N MET A 46 6.535 -6.380 -13.478 1.00 0.00 N ATOM 672 CA MET A 46 7.565 -5.409 -13.845 1.00 0.00 C ATOM 673 C MET A 46 6.946 -4.226 -14.586 1.00 0.00 C ATOM 674 O MET A 46 7.348 -3.078 -14.398 1.00 0.00 O ATOM 675 CB MET A 46 8.618 -6.057 -14.747 1.00 0.00 C ATOM 676 CG MET A 46 9.961 -5.352 -14.550 1.00 0.00 C ATOM 677 SD MET A 46 10.870 -6.149 -13.203 1.00 0.00 S ATOM 678 CE MET A 46 12.435 -6.369 -14.083 1.00 0.00 C ATOM 0 H MET A 46 6.606 -7.278 -13.957 1.00 0.00 H new ATOM 0 HA MET A 46 8.036 -5.060 -12.926 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.713 -7.117 -14.510 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.310 -5.990 -15.790 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.544 -5.393 -15.470 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.801 -4.298 -14.321 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.157 -6.853 -13.426 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.273 -6.990 -14.964 1.00 0.00 H new ATOM 0 HE3 MET A 46 12.820 -5.396 -14.390 1.00 0.00 H new ATOM 688 N GLU A 47 5.968 -4.523 -15.437 1.00 0.00 N ATOM 689 CA GLU A 47 5.301 -3.480 -16.214 1.00 0.00 C ATOM 690 C GLU A 47 4.309 -2.703 -15.351 1.00 0.00 C ATOM 691 O GLU A 47 4.028 -1.532 -15.608 1.00 0.00 O ATOM 692 CB GLU A 47 4.551 -4.094 -17.399 1.00 0.00 C ATOM 693 CG GLU A 47 5.546 -4.453 -18.504 1.00 0.00 C ATOM 694 CD GLU A 47 6.282 -5.734 -18.128 1.00 0.00 C ATOM 695 OE1 GLU A 47 5.630 -6.759 -18.018 1.00 0.00 O ATOM 696 OE2 GLU A 47 7.489 -5.671 -17.957 1.00 0.00 O ATOM 0 H GLU A 47 5.621 -5.467 -15.606 1.00 0.00 H new ATOM 0 HA GLU A 47 6.070 -2.798 -16.577 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.011 -4.985 -17.079 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.810 -3.390 -17.778 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.022 -4.586 -19.451 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.258 -3.640 -18.645 1.00 0.00 H new ATOM 703 N THR A 48 3.773 -3.365 -14.329 1.00 0.00 N ATOM 704 CA THR A 48 2.806 -2.722 -13.441 1.00 0.00 C ATOM 705 C THR A 48 3.467 -1.601 -12.642 1.00 0.00 C ATOM 706 O THR A 48 2.997 -0.464 -12.638 1.00 0.00 O ATOM 707 CB THR A 48 2.212 -3.744 -12.468 1.00 0.00 C ATOM 708 OG1 THR A 48 1.808 -4.901 -13.187 1.00 0.00 O ATOM 709 CG2 THR A 48 1.002 -3.133 -11.760 1.00 0.00 C ATOM 0 H THR A 48 3.988 -4.335 -14.096 1.00 0.00 H new ATOM 0 HA THR A 48 2.013 -2.303 -14.060 1.00 0.00 H new ATOM 0 HB THR A 48 2.963 -4.020 -11.727 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.952 -4.728 -13.632 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.580 -3.861 -11.068 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.313 -2.246 -11.209 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.250 -2.856 -12.499 1.00 0.00 H new ATOM 717 N ALA A 49 4.558 -1.938 -11.961 1.00 0.00 N ATOM 718 CA ALA A 49 5.276 -0.956 -11.151 1.00 0.00 C ATOM 719 C ALA A 49 6.025 0.036 -12.037 1.00 0.00 C ATOM 720 O ALA A 49 6.228 1.190 -11.663 1.00 0.00 O ATOM 721 CB ALA A 49 6.279 -1.654 -10.231 1.00 0.00 C ATOM 0 H ALA A 49 4.962 -2.874 -11.952 1.00 0.00 H new ATOM 0 HA ALA A 49 4.540 -0.419 -10.552 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.805 -0.909 -9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.750 -2.340 -9.570 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.998 -2.211 -10.832 1.00 0.00 H new ATOM 727 N ALA A 50 6.439 -0.427 -13.214 1.00 0.00 N ATOM 728 CA ALA A 50 7.170 0.432 -14.143 1.00 0.00 C ATOM 729 C ALA A 50 6.264 1.536 -14.684 1.00 0.00 C ATOM 730 O ALA A 50 6.720 2.638 -14.988 1.00 0.00 O ATOM 731 CB ALA A 50 7.712 -0.387 -15.316 1.00 0.00 C ATOM 0 H ALA A 50 6.284 -1.379 -13.545 1.00 0.00 H new ATOM 0 HA ALA A 50 8.000 0.882 -13.598 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.254 0.269 -15.998 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.386 -1.157 -14.941 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.883 -0.857 -15.846 1.00 0.00 H new ATOM 737 N ARG A 51 4.974 1.227 -14.801 1.00 0.00 N ATOM 738 CA ARG A 51 4.011 2.200 -15.310 1.00 0.00 C ATOM 739 C ARG A 51 3.549 3.133 -14.193 1.00 0.00 C ATOM 740 O ARG A 51 3.240 4.300 -14.429 1.00 0.00 O ATOM 741 CB ARG A 51 2.792 1.488 -15.900 1.00 0.00 C ATOM 742 CG ARG A 51 2.208 2.331 -17.034 1.00 0.00 C ATOM 743 CD ARG A 51 1.511 1.417 -18.043 1.00 0.00 C ATOM 744 NE ARG A 51 1.507 2.023 -19.372 1.00 0.00 N ATOM 745 CZ ARG A 51 2.175 1.469 -20.379 1.00 0.00 C ATOM 746 NH1 ARG A 51 3.450 1.706 -20.526 1.00 0.00 N ATOM 747 NH2 ARG A 51 1.556 0.688 -21.222 1.00 0.00 N ATOM 0 H ARG A 51 4.575 0.321 -14.553 1.00 0.00 H new ATOM 0 HA ARG A 51 4.504 2.783 -16.088 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.078 0.505 -16.274 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.041 1.329 -15.126 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.499 3.056 -16.634 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.000 2.896 -17.526 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.018 0.453 -18.079 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.487 1.226 -17.722 1.00 0.00 H new ATOM 0 HE ARG A 51 0.984 2.884 -19.530 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.934 2.317 -19.868 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.962 1.281 -21.299 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.559 0.503 -21.108 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.069 0.263 -21.995 1.00 0.00 H new ATOM 761 N LEU A 52 3.502 2.600 -12.975 1.00 0.00 N ATOM 762 CA LEU A 52 3.072 3.390 -11.823 1.00 0.00 C ATOM 763 C LEU A 52 4.124 4.440 -11.462 1.00 0.00 C ATOM 764 O LEU A 52 3.802 5.501 -10.929 1.00 0.00 O ATOM 765 CB LEU A 52 2.833 2.474 -10.611 1.00 0.00 C ATOM 766 CG LEU A 52 1.530 2.861 -9.889 1.00 0.00 C ATOM 767 CD1 LEU A 52 1.605 4.314 -9.413 1.00 0.00 C ATOM 768 CD2 LEU A 52 0.343 2.697 -10.843 1.00 0.00 C ATOM 0 H LEU A 52 3.753 1.635 -12.760 1.00 0.00 H new ATOM 0 HA LEU A 52 2.143 3.895 -12.088 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.779 1.436 -10.938 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.673 2.548 -9.921 1.00 0.00 H new ATOM 0 HG LEU A 52 1.397 2.208 -9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.678 4.578 -8.903 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.443 4.429 -8.725 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.747 4.971 -10.271 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.578 2.972 -10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.481 3.343 -11.710 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.280 1.659 -11.170 1.00 0.00 H new ATOM 780 N GLU A 53 5.385 4.129 -11.755 1.00 0.00 N ATOM 781 CA GLU A 53 6.477 5.051 -11.452 1.00 0.00 C ATOM 782 C GLU A 53 6.299 6.364 -12.209 1.00 0.00 C ATOM 783 O GLU A 53 6.686 7.430 -11.730 1.00 0.00 O ATOM 784 CB GLU A 53 7.822 4.430 -11.841 1.00 0.00 C ATOM 785 CG GLU A 53 8.173 3.313 -10.856 1.00 0.00 C ATOM 786 CD GLU A 53 9.084 3.861 -9.762 1.00 0.00 C ATOM 787 OE1 GLU A 53 8.905 5.009 -9.388 1.00 0.00 O ATOM 788 OE2 GLU A 53 9.947 3.125 -9.313 1.00 0.00 O ATOM 0 H GLU A 53 5.674 3.256 -12.197 1.00 0.00 H new ATOM 0 HA GLU A 53 6.461 5.248 -10.380 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.771 4.033 -12.855 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.601 5.192 -11.836 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.264 2.905 -10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.668 2.495 -11.380 1.00 0.00 H new ATOM 795 N SER A 54 5.712 6.275 -13.398 1.00 0.00 N ATOM 796 CA SER A 54 5.487 7.463 -14.219 1.00 0.00 C ATOM 797 C SER A 54 4.071 8.009 -14.027 1.00 0.00 C ATOM 798 O SER A 54 3.800 9.175 -14.319 1.00 0.00 O ATOM 799 CB SER A 54 5.695 7.135 -15.698 1.00 0.00 C ATOM 800 OG SER A 54 5.058 5.900 -15.999 1.00 0.00 O ATOM 0 H SER A 54 5.386 5.402 -13.813 1.00 0.00 H new ATOM 0 HA SER A 54 6.205 8.220 -13.903 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.284 7.930 -16.320 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.760 7.072 -15.922 1.00 0.00 H new ATOM 0 HG SER A 54 5.188 5.687 -16.947 1.00 0.00 H new ATOM 806 N ARG A 55 3.165 7.159 -13.539 1.00 0.00 N ATOM 807 CA ARG A 55 1.779 7.574 -13.322 1.00 0.00 C ATOM 808 C ARG A 55 1.708 8.762 -12.362 1.00 0.00 C ATOM 809 O ARG A 55 1.047 9.762 -12.640 1.00 0.00 O ATOM 810 CB ARG A 55 0.961 6.417 -12.743 1.00 0.00 C ATOM 811 CG ARG A 55 -0.522 6.799 -12.712 1.00 0.00 C ATOM 812 CD ARG A 55 -1.187 6.372 -14.022 1.00 0.00 C ATOM 813 NE ARG A 55 -2.286 7.273 -14.359 1.00 0.00 N ATOM 814 CZ ARG A 55 -2.583 7.547 -15.627 1.00 0.00 C ATOM 815 NH1 ARG A 55 -2.685 6.579 -16.497 1.00 0.00 N ATOM 816 NH2 ARG A 55 -2.773 8.783 -16.000 1.00 0.00 N ATOM 0 H ARG A 55 3.363 6.190 -13.289 1.00 0.00 H new ATOM 0 HA ARG A 55 1.367 7.869 -14.287 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.103 5.521 -13.347 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.307 6.182 -11.737 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.015 6.317 -11.868 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.628 7.875 -12.572 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.451 6.371 -14.826 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.561 5.352 -13.931 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.834 7.699 -13.611 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.537 5.613 -16.205 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.913 6.789 -17.469 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.694 9.539 -15.320 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.001 8.993 -16.972 1.00 0.00 H new ATOM 830 N TYR A 56 2.390 8.637 -11.226 1.00 0.00 N ATOM 831 CA TYR A 56 2.388 9.707 -10.231 1.00 0.00 C ATOM 832 C TYR A 56 3.771 10.339 -10.111 1.00 0.00 C ATOM 833 O TYR A 56 3.901 11.541 -9.881 1.00 0.00 O ATOM 834 CB TYR A 56 1.967 9.164 -8.863 1.00 0.00 C ATOM 835 CG TYR A 56 0.551 8.637 -8.936 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.476 9.451 -9.433 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.266 7.336 -8.506 1.00 0.00 C ATOM 838 CE1 TYR A 56 -1.786 8.963 -9.499 1.00 0.00 C ATOM 839 CE2 TYR A 56 -1.045 6.848 -8.573 1.00 0.00 C ATOM 840 CZ TYR A 56 -2.071 7.661 -9.069 1.00 0.00 C ATOM 841 OH TYR A 56 -3.363 7.180 -9.135 1.00 0.00 O ATOM 0 H TYR A 56 2.944 7.818 -10.973 1.00 0.00 H new ATOM 0 HA TYR A 56 1.676 10.464 -10.559 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.645 8.369 -8.552 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.034 9.952 -8.112 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.256 10.455 -9.765 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.057 6.708 -8.123 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.577 9.591 -9.882 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.265 5.844 -8.242 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.364 6.306 -9.578 1.00 0.00 H new ATOM 851 N GLY A 57 4.804 9.516 -10.264 1.00 0.00 N ATOM 852 CA GLY A 57 6.176 10.007 -10.165 1.00 0.00 C ATOM 853 C GLY A 57 6.747 9.727 -8.779 1.00 0.00 C ATOM 854 O GLY A 57 7.359 10.594 -8.156 1.00 0.00 O ATOM 0 H GLY A 57 4.720 8.517 -10.455 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.795 9.528 -10.923 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.200 11.078 -10.365 1.00 0.00 H new ATOM 858 N VAL A 58 6.532 8.503 -8.305 1.00 0.00 N ATOM 859 CA VAL A 58 7.020 8.105 -6.991 1.00 0.00 C ATOM 860 C VAL A 58 8.550 8.060 -6.976 1.00 0.00 C ATOM 861 O VAL A 58 9.196 7.991 -8.022 1.00 0.00 O ATOM 862 CB VAL A 58 6.444 6.729 -6.624 1.00 0.00 C ATOM 863 CG1 VAL A 58 6.890 5.684 -7.651 1.00 0.00 C ATOM 864 CG2 VAL A 58 6.924 6.314 -5.235 1.00 0.00 C ATOM 0 H VAL A 58 6.026 7.774 -8.809 1.00 0.00 H new ATOM 0 HA VAL A 58 6.694 8.840 -6.255 1.00 0.00 H new ATOM 0 HB VAL A 58 5.356 6.794 -6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.477 4.711 -7.383 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.532 5.970 -8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.978 5.626 -7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.510 5.337 -4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.013 6.260 -5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.592 7.048 -4.501 1.00 0.00 H new ATOM 874 N SER A 59 9.115 8.109 -5.772 1.00 0.00 N ATOM 875 CA SER A 59 10.568 8.081 -5.618 1.00 0.00 C ATOM 876 C SER A 59 11.026 6.752 -5.011 1.00 0.00 C ATOM 877 O SER A 59 11.915 6.713 -4.158 1.00 0.00 O ATOM 878 CB SER A 59 11.029 9.230 -4.720 1.00 0.00 C ATOM 879 OG SER A 59 10.365 10.425 -5.109 1.00 0.00 O ATOM 0 H SER A 59 8.595 8.168 -4.896 1.00 0.00 H new ATOM 0 HA SER A 59 11.012 8.191 -6.608 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.810 9.002 -3.677 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.109 9.358 -4.799 1.00 0.00 H new ATOM 0 HG SER A 59 10.657 11.163 -4.534 1.00 0.00 H new ATOM 885 N ILE A 60 10.418 5.662 -5.470 1.00 0.00 N ATOM 886 CA ILE A 60 10.775 4.334 -4.977 1.00 0.00 C ATOM 887 C ILE A 60 11.648 3.626 -6.036 1.00 0.00 C ATOM 888 O ILE A 60 11.409 3.775 -7.234 1.00 0.00 O ATOM 889 CB ILE A 60 9.481 3.532 -4.643 1.00 0.00 C ATOM 890 CG1 ILE A 60 9.147 3.729 -3.161 1.00 0.00 C ATOM 891 CG2 ILE A 60 9.629 2.019 -4.904 1.00 0.00 C ATOM 892 CD1 ILE A 60 8.543 5.117 -2.941 1.00 0.00 C ATOM 0 H ILE A 60 9.682 5.670 -6.176 1.00 0.00 H new ATOM 0 HA ILE A 60 11.354 4.407 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 60 8.692 3.908 -5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.446 2.962 -2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 60 10.048 3.616 -2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.696 1.514 -4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.861 1.852 -5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.435 1.621 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.309 5.249 -1.885 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.258 5.879 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.631 5.214 -3.530 1.00 0.00 H new ATOM 904 N PRO A 61 12.668 2.856 -5.614 1.00 0.00 N ATOM 905 CA PRO A 61 13.553 2.154 -6.564 1.00 0.00 C ATOM 906 C PRO A 61 12.937 0.870 -7.117 1.00 0.00 C ATOM 907 O PRO A 61 11.806 0.510 -6.786 1.00 0.00 O ATOM 908 CB PRO A 61 14.776 1.845 -5.708 1.00 0.00 C ATOM 909 CG PRO A 61 14.314 1.835 -4.256 1.00 0.00 C ATOM 910 CD PRO A 61 13.007 2.630 -4.187 1.00 0.00 C ATOM 0 HA PRO A 61 13.764 2.751 -7.451 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.205 0.881 -5.983 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.552 2.595 -5.860 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.161 0.813 -3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.070 2.281 -3.610 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.225 2.073 -3.671 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.136 3.570 -3.651 1.00 0.00 H new ATOM 918 N ASP A 62 13.698 0.190 -7.969 1.00 0.00 N ATOM 919 CA ASP A 62 13.231 -1.054 -8.580 1.00 0.00 C ATOM 920 C ASP A 62 13.658 -2.281 -7.764 1.00 0.00 C ATOM 921 O ASP A 62 13.232 -3.398 -8.048 1.00 0.00 O ATOM 922 CB ASP A 62 13.795 -1.184 -10.000 1.00 0.00 C ATOM 923 CG ASP A 62 12.751 -0.728 -11.016 1.00 0.00 C ATOM 924 OD1 ASP A 62 12.196 0.342 -10.827 1.00 0.00 O ATOM 925 OD2 ASP A 62 12.523 -1.455 -11.969 1.00 0.00 O ATOM 0 H ASP A 62 14.635 0.475 -8.252 1.00 0.00 H new ATOM 0 HA ASP A 62 12.142 -1.016 -8.607 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.698 -0.582 -10.099 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.078 -2.218 -10.195 1.00 0.00 H new ATOM 930 N ASP A 63 14.510 -2.076 -6.760 1.00 0.00 N ATOM 931 CA ASP A 63 14.976 -3.190 -5.939 1.00 0.00 C ATOM 932 C ASP A 63 13.916 -3.593 -4.915 1.00 0.00 C ATOM 933 O ASP A 63 13.625 -4.776 -4.736 1.00 0.00 O ATOM 934 CB ASP A 63 16.259 -2.808 -5.199 1.00 0.00 C ATOM 935 CG ASP A 63 17.334 -2.421 -6.210 1.00 0.00 C ATOM 936 OD1 ASP A 63 17.279 -1.309 -6.708 1.00 0.00 O ATOM 937 OD2 ASP A 63 18.196 -3.244 -6.471 1.00 0.00 O ATOM 0 H ASP A 63 14.886 -1.164 -6.499 1.00 0.00 H new ATOM 0 HA ASP A 63 15.172 -4.031 -6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.066 -1.977 -4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.602 -3.644 -4.589 1.00 0.00 H new ATOM 942 N VAL A 64 13.350 -2.597 -4.238 1.00 0.00 N ATOM 943 CA VAL A 64 12.332 -2.860 -3.223 1.00 0.00 C ATOM 944 C VAL A 64 10.985 -3.195 -3.869 1.00 0.00 C ATOM 945 O VAL A 64 10.304 -4.136 -3.461 1.00 0.00 O ATOM 946 CB VAL A 64 12.183 -1.645 -2.290 1.00 0.00 C ATOM 947 CG1 VAL A 64 11.671 -0.430 -3.071 1.00 0.00 C ATOM 948 CG2 VAL A 64 11.200 -1.977 -1.164 1.00 0.00 C ATOM 0 H VAL A 64 13.575 -1.611 -4.371 1.00 0.00 H new ATOM 0 HA VAL A 64 12.653 -3.721 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 64 13.159 -1.408 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.571 0.420 -2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.377 -0.183 -3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.700 -0.662 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.097 -1.115 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.228 -2.226 -1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.574 -2.827 -0.593 1.00 0.00 H new ATOM 958 N ALA A 65 10.608 -2.414 -4.876 1.00 0.00 N ATOM 959 CA ALA A 65 9.337 -2.639 -5.564 1.00 0.00 C ATOM 960 C ALA A 65 9.435 -3.848 -6.488 1.00 0.00 C ATOM 961 O ALA A 65 8.461 -4.572 -6.694 1.00 0.00 O ATOM 962 CB ALA A 65 8.948 -1.411 -6.391 1.00 0.00 C ATOM 0 H ALA A 65 11.154 -1.629 -5.232 1.00 0.00 H new ATOM 0 HA ALA A 65 8.575 -2.822 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.000 -1.597 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.846 -0.547 -5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.721 -1.213 -7.133 1.00 0.00 H new ATOM 968 N GLY A 66 10.624 -4.056 -7.045 1.00 0.00 N ATOM 969 CA GLY A 66 10.846 -5.180 -7.952 1.00 0.00 C ATOM 970 C GLY A 66 10.802 -6.503 -7.198 1.00 0.00 C ATOM 971 O GLY A 66 10.326 -7.513 -7.715 1.00 0.00 O ATOM 0 H GLY A 66 11.442 -3.468 -6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.087 -5.177 -8.734 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.812 -5.070 -8.445 1.00 0.00 H new ATOM 975 N ARG A 67 11.306 -6.488 -5.967 1.00 0.00 N ATOM 976 CA ARG A 67 11.320 -7.697 -5.147 1.00 0.00 C ATOM 977 C ARG A 67 10.141 -7.698 -4.175 1.00 0.00 C ATOM 978 O ARG A 67 10.254 -8.161 -3.040 1.00 0.00 O ATOM 979 CB ARG A 67 12.625 -7.791 -4.352 1.00 0.00 C ATOM 980 CG ARG A 67 13.779 -8.132 -5.298 1.00 0.00 C ATOM 981 CD ARG A 67 14.798 -9.005 -4.564 1.00 0.00 C ATOM 982 NE ARG A 67 15.603 -9.770 -5.513 1.00 0.00 N ATOM 983 CZ ARG A 67 15.268 -11.012 -5.852 1.00 0.00 C ATOM 984 NH1 ARG A 67 14.464 -11.219 -6.858 1.00 0.00 N ATOM 985 NH2 ARG A 67 15.745 -12.024 -5.179 1.00 0.00 N ATOM 0 H ARG A 67 11.706 -5.663 -5.519 1.00 0.00 H new ATOM 0 HA ARG A 67 11.240 -8.556 -5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.823 -6.846 -3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.537 -8.554 -3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.401 -8.656 -6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.255 -7.218 -5.652 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.447 -8.378 -3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.281 -9.685 -3.887 1.00 0.00 H new ATOM 0 HE ARG A 67 16.435 -9.345 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.092 -10.429 -7.385 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.207 -12.171 -7.118 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.375 -11.862 -4.393 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.488 -12.976 -5.439 1.00 0.00 H new ATOM 999 N VAL A 68 9.007 -7.172 -4.634 1.00 0.00 N ATOM 1000 CA VAL A 68 7.813 -7.118 -3.795 1.00 0.00 C ATOM 1001 C VAL A 68 7.175 -8.505 -3.686 1.00 0.00 C ATOM 1002 O VAL A 68 6.679 -9.057 -4.669 1.00 0.00 O ATOM 1003 CB VAL A 68 6.797 -6.112 -4.369 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.314 -6.569 -5.750 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.596 -5.994 -3.426 1.00 0.00 C ATOM 0 H VAL A 68 8.890 -6.782 -5.569 1.00 0.00 H new ATOM 0 HA VAL A 68 8.107 -6.788 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 68 7.285 -5.142 -4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.597 -5.848 -6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.165 -6.640 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.837 -7.545 -5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.880 -5.282 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.119 -6.968 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.933 -5.648 -2.449 1.00 0.00 H new ATOM 1015 N ASP A 69 7.198 -9.058 -2.478 1.00 0.00 N ATOM 1016 CA ASP A 69 6.621 -10.380 -2.245 1.00 0.00 C ATOM 1017 C ASP A 69 5.178 -10.259 -1.760 1.00 0.00 C ATOM 1018 O ASP A 69 4.356 -11.144 -1.996 1.00 0.00 O ATOM 1019 CB ASP A 69 7.435 -11.143 -1.198 1.00 0.00 C ATOM 1020 CG ASP A 69 8.829 -11.429 -1.747 1.00 0.00 C ATOM 1021 OD1 ASP A 69 8.916 -11.979 -2.832 1.00 0.00 O ATOM 1022 OD2 ASP A 69 9.790 -11.093 -1.074 1.00 0.00 O ATOM 0 H ASP A 69 7.605 -8.618 -1.652 1.00 0.00 H new ATOM 0 HA ASP A 69 6.641 -10.924 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.507 -10.558 -0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.934 -12.077 -0.943 1.00 0.00 H new ATOM 1027 N THR A 70 4.879 -9.154 -1.081 1.00 0.00 N ATOM 1028 CA THR A 70 3.532 -8.927 -0.571 1.00 0.00 C ATOM 1029 C THR A 70 2.837 -7.824 -1.376 1.00 0.00 C ATOM 1030 O THR A 70 3.498 -6.932 -1.906 1.00 0.00 O ATOM 1031 CB THR A 70 3.578 -8.517 0.903 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.787 -7.816 1.159 1.00 0.00 O ATOM 1033 CG2 THR A 70 3.514 -9.765 1.785 1.00 0.00 C ATOM 0 H THR A 70 5.545 -8.410 -0.873 1.00 0.00 H new ATOM 0 HA THR A 70 2.973 -9.857 -0.669 1.00 0.00 H new ATOM 0 HB THR A 70 2.728 -7.873 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.818 -7.551 2.102 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.547 -9.471 2.834 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.587 -10.303 1.588 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.363 -10.412 1.563 1.00 0.00 H new ATOM 1041 N PRO A 71 1.498 -7.865 -1.482 1.00 0.00 N ATOM 1042 CA PRO A 71 0.746 -6.846 -2.238 1.00 0.00 C ATOM 1043 C PRO A 71 0.525 -5.572 -1.429 1.00 0.00 C ATOM 1044 O PRO A 71 0.704 -4.460 -1.928 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.579 -7.547 -2.502 1.00 0.00 C ATOM 1046 CG PRO A 71 -0.744 -8.609 -1.422 1.00 0.00 C ATOM 1047 CD PRO A 71 0.650 -8.913 -0.865 1.00 0.00 C ATOM 0 HA PRO A 71 1.269 -6.519 -3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.404 -6.836 -2.473 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.585 -8.001 -3.493 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.405 -8.253 -0.631 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.198 -9.510 -1.835 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.670 -8.857 0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.984 -9.914 -1.139 1.00 0.00 H new ATOM 1055 N ARG A 72 0.137 -5.751 -0.168 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.105 -4.615 0.720 1.00 0.00 C ATOM 1057 C ARG A 72 1.137 -3.729 0.826 1.00 0.00 C ATOM 1058 O ARG A 72 1.043 -2.548 1.151 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.487 -5.103 2.118 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.314 -4.030 2.826 1.00 0.00 C ATOM 1061 CD ARG A 72 -2.166 -4.678 3.918 1.00 0.00 C ATOM 1062 NE ARG A 72 -3.061 -3.696 4.526 1.00 0.00 N ATOM 1063 CZ ARG A 72 -4.276 -3.477 4.030 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -5.278 -4.223 4.404 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -4.465 -2.515 3.167 1.00 0.00 N ATOM 0 H ARG A 72 -0.016 -6.664 0.260 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.924 -4.034 0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.057 -6.029 2.048 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.411 -5.325 2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.656 -3.278 3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.954 -3.517 2.108 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.749 -5.495 3.494 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.520 -5.110 4.682 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.750 -3.171 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.131 -4.975 5.077 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.209 -4.055 4.023 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.681 -1.932 2.873 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.396 -2.347 2.787 1.00 0.00 H new ATOM 1079 N GLU A 73 2.304 -4.310 0.547 1.00 0.00 N ATOM 1080 CA GLU A 73 3.552 -3.556 0.616 1.00 0.00 C ATOM 1081 C GLU A 73 3.649 -2.580 -0.553 1.00 0.00 C ATOM 1082 O GLU A 73 4.084 -1.441 -0.393 1.00 0.00 O ATOM 1083 CB GLU A 73 4.753 -4.503 0.572 1.00 0.00 C ATOM 1084 CG GLU A 73 6.024 -3.735 0.936 1.00 0.00 C ATOM 1085 CD GLU A 73 6.291 -3.873 2.431 1.00 0.00 C ATOM 1086 OE1 GLU A 73 6.116 -4.965 2.946 1.00 0.00 O ATOM 1087 OE2 GLU A 73 6.665 -2.884 3.040 1.00 0.00 O ATOM 0 H GLU A 73 2.410 -5.287 0.275 1.00 0.00 H new ATOM 0 HA GLU A 73 3.559 -3.003 1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.603 -5.329 1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.851 -4.937 -0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.870 -4.121 0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.915 -2.683 0.671 1.00 0.00 H new ATOM 1094 N LEU A 74 3.235 -3.040 -1.733 1.00 0.00 N ATOM 1095 CA LEU A 74 3.278 -2.199 -2.932 1.00 0.00 C ATOM 1096 C LEU A 74 2.461 -0.924 -2.725 1.00 0.00 C ATOM 1097 O LEU A 74 2.929 0.183 -2.995 1.00 0.00 O ATOM 1098 CB LEU A 74 2.723 -2.964 -4.138 1.00 0.00 C ATOM 1099 CG LEU A 74 3.522 -2.600 -5.392 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.782 -3.464 -5.463 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.663 -2.853 -6.633 1.00 0.00 C ATOM 0 H LEU A 74 2.869 -3.980 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 74 4.318 -1.931 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.780 -4.037 -3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.670 -2.721 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 74 3.804 -1.548 -5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.351 -3.205 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.394 -3.288 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.500 -4.516 -5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.230 -2.594 -7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.383 -3.906 -6.673 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.763 -2.240 -6.584 1.00 0.00 H new ATOM 1113 N LEU A 75 1.234 -1.095 -2.236 1.00 0.00 N ATOM 1114 CA LEU A 75 0.353 0.046 -1.987 1.00 0.00 C ATOM 1115 C LEU A 75 0.982 0.988 -0.963 1.00 0.00 C ATOM 1116 O LEU A 75 0.999 2.198 -1.148 1.00 0.00 O ATOM 1117 CB LEU A 75 -1.006 -0.442 -1.462 1.00 0.00 C ATOM 1118 CG LEU A 75 -1.948 0.745 -1.211 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.811 0.985 -2.447 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -2.846 0.427 -0.015 1.00 0.00 C ATOM 0 H LEU A 75 0.830 -2.003 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 75 0.209 0.582 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.456 -1.124 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.865 -1.003 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.362 1.640 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.479 1.828 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.170 1.206 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.401 0.093 -2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.518 1.266 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.432 -0.467 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.230 0.256 0.867 1.00 0.00 H new ATOM 1132 N ASP A 76 1.476 0.421 0.125 1.00 0.00 N ATOM 1133 CA ASP A 76 2.091 1.226 1.178 1.00 0.00 C ATOM 1134 C ASP A 76 3.378 1.904 0.692 1.00 0.00 C ATOM 1135 O ASP A 76 3.866 2.844 1.321 1.00 0.00 O ATOM 1136 CB ASP A 76 2.417 0.354 2.393 1.00 0.00 C ATOM 1137 CG ASP A 76 1.130 0.019 3.139 1.00 0.00 C ATOM 1138 OD1 ASP A 76 0.295 -0.660 2.566 1.00 0.00 O ATOM 1139 OD2 ASP A 76 0.999 0.447 4.274 1.00 0.00 O ATOM 0 H ASP A 76 1.466 -0.583 0.306 1.00 0.00 H new ATOM 0 HA ASP A 76 1.373 1.998 1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.914 -0.562 2.074 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.108 0.877 3.054 1.00 0.00 H new ATOM 1144 N LEU A 77 3.931 1.420 -0.422 1.00 0.00 N ATOM 1145 CA LEU A 77 5.165 1.997 -0.959 1.00 0.00 C ATOM 1146 C LEU A 77 4.884 3.285 -1.724 1.00 0.00 C ATOM 1147 O LEU A 77 5.292 4.372 -1.315 1.00 0.00 O ATOM 1148 CB LEU A 77 5.850 1.010 -1.905 1.00 0.00 C ATOM 1149 CG LEU A 77 6.573 -0.055 -1.087 1.00 0.00 C ATOM 1150 CD1 LEU A 77 6.764 -1.314 -1.935 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.939 0.479 -0.649 1.00 0.00 C ATOM 0 H LEU A 77 3.552 0.643 -0.962 1.00 0.00 H new ATOM 0 HA LEU A 77 5.816 2.215 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.113 0.544 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.558 1.535 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 77 5.979 -0.300 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.281 -2.073 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.791 -1.695 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.357 -1.072 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.457 -0.281 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.532 0.726 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.802 1.373 -0.041 1.00 0.00 H new ATOM 1163 N ILE A 78 4.186 3.145 -2.847 1.00 0.00 N ATOM 1164 CA ILE A 78 3.855 4.303 -3.683 1.00 0.00 C ATOM 1165 C ILE A 78 3.036 5.319 -2.888 1.00 0.00 C ATOM 1166 O ILE A 78 3.219 6.530 -3.009 1.00 0.00 O ATOM 1167 CB ILE A 78 3.051 3.859 -4.916 1.00 0.00 C ATOM 1168 CG1 ILE A 78 3.833 2.786 -5.695 1.00 0.00 C ATOM 1169 CG2 ILE A 78 2.785 5.060 -5.829 1.00 0.00 C ATOM 1170 CD1 ILE A 78 5.192 3.335 -6.149 1.00 0.00 C ATOM 0 H ILE A 78 3.840 2.253 -3.200 1.00 0.00 H new ATOM 0 HA ILE A 78 4.787 4.766 -4.006 1.00 0.00 H new ATOM 0 HB ILE A 78 2.100 3.442 -4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.981 1.907 -5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.256 2.465 -6.562 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.215 4.736 -6.700 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.217 5.813 -5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.734 5.487 -6.155 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.731 2.563 -6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.038 4.199 -6.795 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.774 3.633 -5.277 1.00 0.00 H new ATOM 1182 N ASN A 79 2.127 4.796 -2.080 1.00 0.00 N ATOM 1183 CA ASN A 79 1.257 5.629 -1.254 1.00 0.00 C ATOM 1184 C ASN A 79 2.052 6.321 -0.150 1.00 0.00 C ATOM 1185 O ASN A 79 1.703 7.416 0.291 1.00 0.00 O ATOM 1186 CB ASN A 79 0.167 4.769 -0.615 1.00 0.00 C ATOM 1187 CG ASN A 79 -0.966 5.657 -0.115 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -0.761 6.839 0.164 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -2.162 5.152 0.016 1.00 0.00 N ATOM 0 H ASN A 79 1.970 3.794 -1.976 1.00 0.00 H new ATOM 0 HA ASN A 79 0.807 6.387 -1.896 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.215 4.051 -1.341 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.583 4.194 0.213 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.929 5.736 0.350 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.330 4.173 -0.215 1.00 0.00 H new ATOM 1196 N GLY A 80 3.120 5.667 0.300 1.00 0.00 N ATOM 1197 CA GLY A 80 3.953 6.227 1.361 1.00 0.00 C ATOM 1198 C GLY A 80 4.687 7.476 0.882 1.00 0.00 C ATOM 1199 O GLY A 80 4.821 8.454 1.617 1.00 0.00 O ATOM 0 H GLY A 80 3.427 4.759 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.333 6.474 2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.676 5.481 1.692 1.00 0.00 H new ATOM 1203 N ALA A 81 5.167 7.428 -0.357 1.00 0.00 N ATOM 1204 CA ALA A 81 5.894 8.561 -0.926 1.00 0.00 C ATOM 1205 C ALA A 81 4.953 9.738 -1.171 1.00 0.00 C ATOM 1206 O ALA A 81 5.245 10.873 -0.792 1.00 0.00 O ATOM 1207 CB ALA A 81 6.549 8.162 -2.250 1.00 0.00 C ATOM 0 H ALA A 81 5.068 6.627 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 81 6.663 8.858 -0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.087 9.016 -2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.247 7.342 -2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.781 7.843 -2.954 1.00 0.00 H new ATOM 1213 N LEU A 82 3.822 9.457 -1.811 1.00 0.00 N ATOM 1214 CA LEU A 82 2.843 10.501 -2.107 1.00 0.00 C ATOM 1215 C LEU A 82 2.337 11.153 -0.821 1.00 0.00 C ATOM 1216 O LEU A 82 1.967 12.326 -0.808 1.00 0.00 O ATOM 1217 CB LEU A 82 1.653 9.918 -2.870 1.00 0.00 C ATOM 1218 CG LEU A 82 1.957 9.918 -4.370 1.00 0.00 C ATOM 1219 CD1 LEU A 82 1.074 8.885 -5.071 1.00 0.00 C ATOM 1220 CD2 LEU A 82 1.671 11.307 -4.946 1.00 0.00 C ATOM 0 H LEU A 82 3.561 8.525 -2.133 1.00 0.00 H new ATOM 0 HA LEU A 82 3.338 11.254 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.452 8.902 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.757 10.505 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 82 3.005 9.665 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.291 8.886 -6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.275 7.896 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.025 9.136 -4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.887 11.309 -6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.622 11.558 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.300 12.044 -4.447 1.00 0.00 H new ATOM 1232 N ALA A 83 2.323 10.377 0.260 1.00 0.00 N ATOM 1233 CA ALA A 83 1.859 10.890 1.546 1.00 0.00 C ATOM 1234 C ALA A 83 2.793 11.985 2.051 1.00 0.00 C ATOM 1235 O ALA A 83 2.350 13.007 2.577 1.00 0.00 O ATOM 1236 CB ALA A 83 1.802 9.766 2.583 1.00 0.00 C ATOM 0 H ALA A 83 2.624 9.402 0.272 1.00 0.00 H new ATOM 0 HA ALA A 83 0.860 11.302 1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.454 10.167 3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.115 8.991 2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.796 9.338 2.711 1.00 0.00 H new ATOM 1242 N GLU A 84 4.093 11.760 1.886 1.00 0.00 N ATOM 1243 CA GLU A 84 5.087 12.733 2.330 1.00 0.00 C ATOM 1244 C GLU A 84 5.642 13.508 1.136 1.00 0.00 C ATOM 1245 O GLU A 84 6.828 13.838 1.086 1.00 0.00 O ATOM 1246 CB GLU A 84 6.240 12.028 3.049 1.00 0.00 C ATOM 1247 CG GLU A 84 5.848 11.761 4.503 1.00 0.00 C ATOM 1248 CD GLU A 84 4.790 10.664 4.552 1.00 0.00 C ATOM 1249 OE1 GLU A 84 5.099 9.551 4.158 1.00 0.00 O ATOM 1250 OE2 GLU A 84 3.685 10.952 4.982 1.00 0.00 O ATOM 0 H GLU A 84 4.481 10.922 1.453 1.00 0.00 H new ATOM 0 HA GLU A 84 4.601 13.425 3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.476 11.090 2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.138 12.645 3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.724 11.461 5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.463 12.673 4.960 1.00 0.00 H new ATOM 1257 N ALA A 85 4.767 13.798 0.176 1.00 0.00 N ATOM 1258 CA ALA A 85 5.177 14.535 -1.015 1.00 0.00 C ATOM 1259 C ALA A 85 4.732 15.992 -0.919 1.00 0.00 C ATOM 1260 O ALA A 85 4.385 16.619 -1.920 1.00 0.00 O ATOM 1261 CB ALA A 85 4.565 13.908 -2.270 1.00 0.00 C ATOM 0 H ALA A 85 3.781 13.537 0.199 1.00 0.00 H new ATOM 0 HA ALA A 85 6.264 14.490 -1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.881 14.470 -3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.900 12.875 -2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.478 13.932 -2.196 1.00 0.00 H new ATOM 1267 N ALA A 86 4.750 16.524 0.301 1.00 0.00 N ATOM 1268 CA ALA A 86 4.347 17.910 0.522 1.00 0.00 C ATOM 1269 C ALA A 86 5.466 18.861 0.109 1.00 0.00 C ATOM 1270 O ALA A 86 5.427 20.007 0.526 1.00 0.00 O ATOM 1271 CB ALA A 86 4.014 18.144 1.996 1.00 0.00 C ATOM 1272 OXT ALA A 86 6.347 18.429 -0.617 1.00 0.00 O ATOM 0 H ALA A 86 5.036 16.023 1.142 1.00 0.00 H new ATOM 0 HA ALA A 86 3.462 18.103 -0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.716 19.182 2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.197 17.487 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.892 17.930 2.606 1.00 0.00 H new