USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 481 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 GLN : amide:sc= -2.08 K(o=-2.1,f=-0.86) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0402 USER MOD Single : A 26 ASN : amide:sc= -3.98! C(o=-4!,f=-4.4!) USER MOD Single : A 29 HIS : no HD1:sc= -9.99! C(o=-10!,f=-11!) USER MOD Single : A 32 SER OG : rot -170:sc= 0 USER MOD Single : A 35 SER OG : rot 59:sc= 1.19 USER MOD Single : A 37 GLN : amide:sc= -3.99 K(o=-4,f=-0.57) USER MOD Single : A 38 GLN : amide:sc= -7.26! C(o=-7.3!,f=-2.8!) USER MOD Single : A 50 GLN : amide:sc= -6.26! K(o=-6.3!,f=-2.3) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 3 11.116 5.275 -3.291 1.00 0.00 N ATOM 30 CA ALA A 3 10.901 3.862 -3.059 1.00 0.00 C ATOM 31 C ALA A 3 11.433 3.488 -1.697 1.00 0.00 C ATOM 32 O ALA A 3 12.495 2.880 -1.559 1.00 0.00 O ATOM 33 CB ALA A 3 11.564 3.048 -4.143 1.00 0.00 C ATOM 0 HA ALA A 3 9.833 3.648 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.395 1.987 -3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.142 3.318 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.635 3.249 -4.146 1.00 0.00 H new ATOM 39 N VAL A 4 10.691 3.891 -0.696 1.00 0.00 N ATOM 40 CA VAL A 4 11.074 3.671 0.678 1.00 0.00 C ATOM 41 C VAL A 4 10.065 2.755 1.367 1.00 0.00 C ATOM 42 O VAL A 4 8.862 2.817 1.110 1.00 0.00 O ATOM 43 CB VAL A 4 11.220 5.018 1.427 1.00 0.00 C ATOM 44 CG1 VAL A 4 9.884 5.577 1.864 1.00 0.00 C ATOM 45 CG2 VAL A 4 12.171 4.892 2.604 1.00 0.00 C ATOM 0 H VAL A 4 9.804 4.381 -0.810 1.00 0.00 H new ATOM 0 HA VAL A 4 12.046 3.177 0.698 1.00 0.00 H new ATOM 0 HB VAL A 4 11.648 5.729 0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.038 6.522 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.255 5.743 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.395 4.869 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.253 5.854 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.790 4.146 3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.154 4.585 2.246 1.00 0.00 H new ATOM 55 N GLN A 5 10.583 1.869 2.193 1.00 0.00 N ATOM 56 CA GLN A 5 9.789 0.881 2.894 1.00 0.00 C ATOM 57 C GLN A 5 8.811 1.560 3.844 1.00 0.00 C ATOM 58 O GLN A 5 9.216 2.162 4.836 1.00 0.00 O ATOM 59 CB GLN A 5 10.754 -0.036 3.669 1.00 0.00 C ATOM 60 CG GLN A 5 10.182 -1.364 4.148 1.00 0.00 C ATOM 61 CD GLN A 5 9.098 -1.221 5.188 1.00 0.00 C ATOM 62 OE1 GLN A 5 9.370 -1.140 6.385 1.00 0.00 O ATOM 63 NE2 GLN A 5 7.861 -1.215 4.734 1.00 0.00 N ATOM 0 H GLN A 5 11.581 1.814 2.399 1.00 0.00 H new ATOM 0 HA GLN A 5 9.203 0.295 2.186 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.615 -0.243 3.033 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.123 0.511 4.537 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.781 -1.906 3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.990 -1.969 4.559 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.685 -1.284 3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.079 -1.141 5.385 1.00 0.00 H new ATOM 72 N VAL A 6 7.526 1.469 3.532 1.00 0.00 N ATOM 73 CA VAL A 6 6.505 1.943 4.451 1.00 0.00 C ATOM 74 C VAL A 6 5.273 1.070 4.406 1.00 0.00 C ATOM 75 O VAL A 6 4.563 0.927 5.400 1.00 0.00 O ATOM 76 CB VAL A 6 6.105 3.411 4.184 1.00 0.00 C ATOM 77 CG1 VAL A 6 5.081 3.516 3.064 1.00 0.00 C ATOM 78 CG2 VAL A 6 5.567 4.040 5.459 1.00 0.00 C ATOM 0 H VAL A 6 7.170 1.076 2.661 1.00 0.00 H new ATOM 0 HA VAL A 6 6.948 1.888 5.445 1.00 0.00 H new ATOM 0 HB VAL A 6 6.995 3.953 3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.823 4.563 2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.500 3.101 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.185 2.959 3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.287 5.075 5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.692 3.485 5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.336 4.012 6.231 1.00 0.00 H new ATOM 88 N LEU A 7 5.049 0.446 3.274 1.00 0.00 N ATOM 89 CA LEU A 7 3.854 -0.320 3.068 1.00 0.00 C ATOM 90 C LEU A 7 4.264 -1.764 2.899 1.00 0.00 C ATOM 91 O LEU A 7 5.374 -2.029 2.476 1.00 0.00 O ATOM 92 CB LEU A 7 3.130 0.216 1.823 1.00 0.00 C ATOM 93 CG LEU A 7 1.602 0.014 1.803 1.00 0.00 C ATOM 94 CD1 LEU A 7 0.973 0.676 0.602 1.00 0.00 C ATOM 95 CD2 LEU A 7 1.222 -1.451 1.809 1.00 0.00 C ATOM 0 H LEU A 7 5.687 0.457 2.479 1.00 0.00 H new ATOM 0 HA LEU A 7 3.168 -0.241 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.339 1.282 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.554 -0.266 0.942 1.00 0.00 H new ATOM 0 HG LEU A 7 1.224 0.479 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.105 0.514 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.179 1.746 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.389 0.247 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.136 -1.545 1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.640 -1.939 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.615 -1.925 2.708 1.00 0.00 H new ATOM 107 N LYS A 8 3.419 -2.686 3.302 1.00 0.00 N ATOM 108 CA LYS A 8 3.684 -4.083 3.084 1.00 0.00 C ATOM 109 C LYS A 8 2.385 -4.842 2.868 1.00 0.00 C ATOM 110 O LYS A 8 1.334 -4.463 3.390 1.00 0.00 O ATOM 111 CB LYS A 8 4.459 -4.663 4.267 1.00 0.00 C ATOM 112 CG LYS A 8 3.723 -4.590 5.590 1.00 0.00 C ATOM 113 CD LYS A 8 4.553 -3.887 6.648 1.00 0.00 C ATOM 114 CE LYS A 8 4.272 -2.385 6.698 1.00 0.00 C ATOM 115 NZ LYS A 8 4.965 -1.740 7.846 1.00 0.00 N ATOM 0 H LYS A 8 2.541 -2.489 3.783 1.00 0.00 H new ATOM 0 HA LYS A 8 4.293 -4.189 2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.698 -5.705 4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.406 -4.132 4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.780 -4.061 5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.478 -5.597 5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.344 -4.327 7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.611 -4.050 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.598 -1.921 5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.198 -2.217 6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.754 -0.722 7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.635 -2.167 8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.991 -1.880 7.755 1.00 0.00 H new ATOM 129 N PHE A 9 2.472 -5.896 2.085 1.00 0.00 N ATOM 130 CA PHE A 9 1.343 -6.793 1.865 1.00 0.00 C ATOM 131 C PHE A 9 1.701 -8.160 2.422 1.00 0.00 C ATOM 132 O PHE A 9 2.315 -8.983 1.744 1.00 0.00 O ATOM 133 CB PHE A 9 0.951 -6.897 0.378 1.00 0.00 C ATOM 134 CG PHE A 9 1.888 -6.205 -0.545 1.00 0.00 C ATOM 135 CD1 PHE A 9 3.170 -6.647 -0.633 1.00 0.00 C ATOM 136 CD2 PHE A 9 1.492 -5.132 -1.321 1.00 0.00 C ATOM 137 CE1 PHE A 9 4.073 -6.052 -1.470 1.00 0.00 C ATOM 138 CE2 PHE A 9 2.389 -4.521 -2.173 1.00 0.00 C ATOM 139 CZ PHE A 9 3.686 -4.983 -2.245 1.00 0.00 C ATOM 0 H PHE A 9 3.320 -6.160 1.583 1.00 0.00 H new ATOM 0 HA PHE A 9 0.473 -6.387 2.380 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.895 -7.950 0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.047 -6.479 0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.482 -7.486 -0.029 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.476 -4.770 -1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.087 -6.420 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.077 -3.685 -2.781 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.395 -4.508 -2.907 1.00 0.00 H new ATOM 149 N PRO A 10 1.363 -8.354 3.702 1.00 0.00 N ATOM 150 CA PRO A 10 1.597 -9.564 4.484 1.00 0.00 C ATOM 151 C PRO A 10 1.685 -10.858 3.689 1.00 0.00 C ATOM 152 O PRO A 10 0.664 -11.489 3.433 1.00 0.00 O ATOM 153 CB PRO A 10 0.330 -9.607 5.321 1.00 0.00 C ATOM 154 CG PRO A 10 -0.116 -8.184 5.479 1.00 0.00 C ATOM 155 CD PRO A 10 0.699 -7.352 4.534 1.00 0.00 C ATOM 0 HA PRO A 10 2.554 -9.513 5.003 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.440 -10.204 4.832 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.520 -10.065 6.292 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.179 -8.088 5.257 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.026 -7.849 6.506 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.073 -6.685 3.941 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.418 -6.727 5.064 1.00 0.00 H new ATOM 163 N LEU A 11 2.906 -11.305 3.399 1.00 0.00 N ATOM 164 CA LEU A 11 3.119 -12.529 2.612 1.00 0.00 C ATOM 165 C LEU A 11 2.684 -13.753 3.420 1.00 0.00 C ATOM 166 O LEU A 11 2.674 -14.884 2.934 1.00 0.00 O ATOM 167 CB LEU A 11 4.601 -12.647 2.193 1.00 0.00 C ATOM 168 CG LEU A 11 5.575 -13.294 3.200 1.00 0.00 C ATOM 169 CD1 LEU A 11 7.015 -13.090 2.757 1.00 0.00 C ATOM 170 CD2 LEU A 11 5.393 -12.735 4.598 1.00 0.00 C ATOM 0 H LEU A 11 3.765 -10.842 3.695 1.00 0.00 H new ATOM 0 HA LEU A 11 2.513 -12.478 1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.644 -13.220 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.967 -11.646 1.966 1.00 0.00 H new ATOM 0 HG LEU A 11 5.348 -14.360 3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.687 -13.553 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.163 -13.547 1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.229 -12.023 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.097 -13.216 5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.576 -11.661 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.375 -12.926 4.936 1.00 0.00 H new ATOM 182 N SER A 12 2.324 -13.484 4.662 1.00 0.00 N ATOM 183 CA SER A 12 1.973 -14.493 5.624 1.00 0.00 C ATOM 184 C SER A 12 0.463 -14.614 5.802 1.00 0.00 C ATOM 185 O SER A 12 -0.001 -15.441 6.581 1.00 0.00 O ATOM 186 CB SER A 12 2.619 -14.113 6.949 1.00 0.00 C ATOM 187 OG SER A 12 4.011 -14.387 6.939 1.00 0.00 O ATOM 0 H SER A 12 2.269 -12.534 5.030 1.00 0.00 H new ATOM 0 HA SER A 12 2.330 -15.461 5.271 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.456 -13.053 7.145 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.143 -14.664 7.760 1.00 0.00 H new ATOM 0 HG SER A 12 4.401 -14.132 7.801 1.00 0.00 H new ATOM 193 N VAL A 13 -0.309 -13.798 5.091 1.00 0.00 N ATOM 194 CA VAL A 13 -1.748 -13.781 5.297 1.00 0.00 C ATOM 195 C VAL A 13 -2.462 -13.762 3.963 1.00 0.00 C ATOM 196 O VAL A 13 -1.841 -13.843 2.901 1.00 0.00 O ATOM 197 CB VAL A 13 -2.209 -12.561 6.152 1.00 0.00 C ATOM 198 CG1 VAL A 13 -1.229 -12.267 7.271 1.00 0.00 C ATOM 199 CG2 VAL A 13 -2.433 -11.318 5.301 1.00 0.00 C ATOM 0 H VAL A 13 0.032 -13.151 4.380 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.005 -14.687 5.846 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.166 -12.835 6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.581 -11.411 7.847 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.151 -13.136 7.924 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.250 -12.042 6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.753 -10.494 5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.504 -11.049 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.203 -11.521 4.556 1.00 0.00 H new ATOM 209 N ASP A 14 -3.768 -13.645 4.037 1.00 0.00 N ATOM 210 CA ASP A 14 -4.604 -13.557 2.856 1.00 0.00 C ATOM 211 C ASP A 14 -4.570 -12.127 2.335 1.00 0.00 C ATOM 212 O ASP A 14 -5.577 -11.416 2.295 1.00 0.00 O ATOM 213 CB ASP A 14 -6.027 -13.999 3.178 1.00 0.00 C ATOM 214 CG ASP A 14 -6.846 -14.257 1.927 1.00 0.00 C ATOM 215 OD1 ASP A 14 -6.432 -15.105 1.105 1.00 0.00 O ATOM 216 OD2 ASP A 14 -7.901 -13.613 1.752 1.00 0.00 O ATOM 0 H ASP A 14 -4.283 -13.608 4.917 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.225 -14.224 2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.996 -14.905 3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.516 -13.232 3.778 1.00 0.00 H new ATOM 221 N LEU A 15 -3.371 -11.725 1.951 1.00 0.00 N ATOM 222 CA LEU A 15 -3.066 -10.376 1.520 1.00 0.00 C ATOM 223 C LEU A 15 -3.813 -9.959 0.266 1.00 0.00 C ATOM 224 O LEU A 15 -3.693 -8.827 -0.143 1.00 0.00 O ATOM 225 CB LEU A 15 -1.563 -10.275 1.296 1.00 0.00 C ATOM 226 CG LEU A 15 -0.930 -11.539 0.709 1.00 0.00 C ATOM 227 CD1 LEU A 15 -1.484 -11.874 -0.666 1.00 0.00 C ATOM 228 CD2 LEU A 15 0.552 -11.390 0.629 1.00 0.00 C ATOM 0 H LEU A 15 -2.562 -12.346 1.931 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.395 -9.692 2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.362 -9.438 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.080 -10.048 2.246 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.181 -12.361 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.005 -12.778 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.560 -12.036 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.286 -11.048 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.987 -12.297 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.798 -10.541 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.955 -11.223 1.628 1.00 0.00 H new ATOM 240 N ALA A 16 -4.586 -10.850 -0.342 1.00 0.00 N ATOM 241 CA ALA A 16 -5.386 -10.476 -1.506 1.00 0.00 C ATOM 242 C ALA A 16 -6.290 -9.305 -1.169 1.00 0.00 C ATOM 243 O ALA A 16 -6.725 -8.565 -2.051 1.00 0.00 O ATOM 244 CB ALA A 16 -6.207 -11.656 -1.998 1.00 0.00 C ATOM 0 H ALA A 16 -4.677 -11.825 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.709 -10.176 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.795 -11.354 -2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.540 -12.472 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.876 -11.990 -1.205 1.00 0.00 H new ATOM 250 N GLY A 17 -6.543 -9.135 0.119 1.00 0.00 N ATOM 251 CA GLY A 17 -7.300 -8.007 0.581 1.00 0.00 C ATOM 252 C GLY A 17 -6.520 -6.706 0.490 1.00 0.00 C ATOM 253 O GLY A 17 -7.044 -5.702 0.016 1.00 0.00 O ATOM 0 H GLY A 17 -6.231 -9.769 0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.214 -7.921 -0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.601 -8.175 1.615 1.00 0.00 H new ATOM 257 N PHE A 18 -5.263 -6.712 0.922 1.00 0.00 N ATOM 258 CA PHE A 18 -4.480 -5.482 0.927 1.00 0.00 C ATOM 259 C PHE A 18 -3.652 -5.341 -0.339 1.00 0.00 C ATOM 260 O PHE A 18 -3.637 -4.280 -0.954 1.00 0.00 O ATOM 261 CB PHE A 18 -3.560 -5.399 2.136 1.00 0.00 C ATOM 262 CG PHE A 18 -3.105 -3.989 2.415 1.00 0.00 C ATOM 263 CD1 PHE A 18 -3.509 -2.944 1.591 1.00 0.00 C ATOM 264 CD2 PHE A 18 -2.301 -3.700 3.504 1.00 0.00 C ATOM 265 CE1 PHE A 18 -3.117 -1.652 1.840 1.00 0.00 C ATOM 266 CE2 PHE A 18 -1.901 -2.400 3.756 1.00 0.00 C ATOM 267 CZ PHE A 18 -2.312 -1.377 2.922 1.00 0.00 C ATOM 0 H PHE A 18 -4.773 -7.537 1.267 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.199 -4.665 0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.078 -5.791 3.011 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.689 -6.033 1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.142 -3.152 0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.984 -4.495 4.162 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.440 -0.853 1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.268 -2.184 4.604 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.001 -0.362 3.120 1.00 0.00 H new ATOM 277 N VAL A 19 -2.966 -6.399 -0.737 1.00 0.00 N ATOM 278 CA VAL A 19 -2.172 -6.348 -1.942 1.00 0.00 C ATOM 279 C VAL A 19 -3.123 -6.058 -3.084 1.00 0.00 C ATOM 280 O VAL A 19 -2.797 -5.356 -4.028 1.00 0.00 O ATOM 281 CB VAL A 19 -1.418 -7.679 -2.217 1.00 0.00 C ATOM 282 CG1 VAL A 19 -2.300 -8.719 -2.901 1.00 0.00 C ATOM 283 CG2 VAL A 19 -0.172 -7.430 -3.051 1.00 0.00 C ATOM 0 H VAL A 19 -2.945 -7.293 -0.246 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.409 -5.577 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.130 -8.080 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.725 -9.629 -3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.157 -8.944 -2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.649 -8.328 -3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.340 -8.375 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.455 -6.983 -4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.494 -6.753 -2.517 1.00 0.00 H new ATOM 293 N GLY A 20 -4.334 -6.585 -2.922 1.00 0.00 N ATOM 294 CA GLY A 20 -5.416 -6.335 -3.849 1.00 0.00 C ATOM 295 C GLY A 20 -5.890 -4.922 -3.742 1.00 0.00 C ATOM 296 O GLY A 20 -6.120 -4.285 -4.746 1.00 0.00 O ATOM 0 H GLY A 20 -4.585 -7.195 -2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.082 -6.535 -4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.241 -7.017 -3.644 1.00 0.00 H new ATOM 300 N LEU A 21 -5.943 -4.415 -2.521 1.00 0.00 N ATOM 301 CA LEU A 21 -6.417 -3.061 -2.257 1.00 0.00 C ATOM 302 C LEU A 21 -5.633 -2.042 -3.076 1.00 0.00 C ATOM 303 O LEU A 21 -6.195 -1.138 -3.681 1.00 0.00 O ATOM 304 CB LEU A 21 -6.284 -2.762 -0.761 1.00 0.00 C ATOM 305 CG LEU A 21 -6.858 -1.425 -0.296 1.00 0.00 C ATOM 306 CD1 LEU A 21 -7.259 -1.507 1.167 1.00 0.00 C ATOM 307 CD2 LEU A 21 -5.837 -0.315 -0.493 1.00 0.00 C ATOM 0 H LEU A 21 -5.660 -4.927 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.464 -2.988 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.776 -3.560 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.227 -2.794 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.742 -1.200 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.667 -0.548 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.014 -2.283 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.384 -1.749 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.260 0.632 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.941 -0.538 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.578 -0.242 -1.549 1.00 0.00 H new ATOM 319 N LEU A 22 -4.332 -2.210 -3.104 1.00 0.00 N ATOM 320 CA LEU A 22 -3.457 -1.264 -3.770 1.00 0.00 C ATOM 321 C LEU A 22 -3.254 -1.664 -5.219 1.00 0.00 C ATOM 322 O LEU A 22 -2.956 -0.837 -6.093 1.00 0.00 O ATOM 323 CB LEU A 22 -2.138 -1.192 -3.026 1.00 0.00 C ATOM 324 CG LEU A 22 -1.641 -2.519 -2.447 1.00 0.00 C ATOM 325 CD1 LEU A 22 -0.703 -3.205 -3.412 1.00 0.00 C ATOM 326 CD2 LEU A 22 -0.987 -2.317 -1.093 1.00 0.00 C ATOM 0 H LEU A 22 -3.850 -2.998 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.914 -0.274 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.378 -0.803 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.237 -0.474 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.505 -3.167 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.362 -4.146 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.225 -3.403 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.156 -2.562 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.644 -3.277 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.136 -1.643 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.710 -1.885 -0.401 1.00 0.00 H new ATOM 338 N ARG A 23 -3.412 -2.948 -5.449 1.00 0.00 N ATOM 339 CA ARG A 23 -3.467 -3.506 -6.794 1.00 0.00 C ATOM 340 C ARG A 23 -4.658 -2.909 -7.521 1.00 0.00 C ATOM 341 O ARG A 23 -4.669 -2.752 -8.739 1.00 0.00 O ATOM 342 CB ARG A 23 -3.635 -5.008 -6.667 1.00 0.00 C ATOM 343 CG ARG A 23 -3.374 -5.806 -7.929 1.00 0.00 C ATOM 344 CD ARG A 23 -4.682 -6.212 -8.571 1.00 0.00 C ATOM 345 NE ARG A 23 -4.620 -7.553 -9.145 1.00 0.00 N ATOM 346 CZ ARG A 23 -5.427 -7.997 -10.105 1.00 0.00 C ATOM 347 NH1 ARG A 23 -6.284 -7.177 -10.702 1.00 0.00 N ATOM 348 NH2 ARG A 23 -5.357 -9.266 -10.477 1.00 0.00 N ATOM 0 H ARG A 23 -3.507 -3.643 -4.709 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.559 -3.279 -7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.963 -5.366 -5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.651 -5.215 -6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.786 -5.212 -8.629 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.786 -6.693 -7.692 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.478 -6.173 -7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.940 -5.496 -9.351 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.911 -8.192 -8.786 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.328 -6.196 -10.426 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.898 -7.528 -11.437 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.689 -9.893 -10.028 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.971 -9.617 -11.212 1.00 0.00 H new ATOM 362 N ARG A 24 -5.648 -2.573 -6.716 1.00 0.00 N ATOM 363 CA ARG A 24 -6.885 -1.973 -7.158 1.00 0.00 C ATOM 364 C ARG A 24 -6.665 -0.539 -7.587 1.00 0.00 C ATOM 365 O ARG A 24 -7.298 -0.048 -8.523 1.00 0.00 O ATOM 366 CB ARG A 24 -7.867 -2.021 -5.999 1.00 0.00 C ATOM 367 CG ARG A 24 -8.489 -3.385 -5.796 1.00 0.00 C ATOM 368 CD ARG A 24 -9.297 -3.737 -7.009 1.00 0.00 C ATOM 369 NE ARG A 24 -10.278 -2.678 -7.281 1.00 0.00 N ATOM 370 CZ ARG A 24 -11.226 -2.744 -8.208 1.00 0.00 C ATOM 371 NH1 ARG A 24 -11.292 -3.785 -9.017 1.00 0.00 N ATOM 372 NH2 ARG A 24 -12.099 -1.753 -8.336 1.00 0.00 N ATOM 0 H ARG A 24 -5.609 -2.716 -5.707 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.274 -2.521 -8.016 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.353 -1.724 -5.085 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.658 -1.291 -6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.713 -4.132 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.123 -3.382 -4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.640 -3.866 -7.869 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.808 -4.687 -6.853 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.227 -1.830 -6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.613 -4.542 -8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.022 -3.833 -9.728 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.042 -0.940 -7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.827 -1.804 -9.048 1.00 0.00 H new ATOM 386 N LEU A 25 -5.737 0.108 -6.909 1.00 0.00 N ATOM 387 CA LEU A 25 -5.446 1.503 -7.146 1.00 0.00 C ATOM 388 C LEU A 25 -4.837 1.686 -8.531 1.00 0.00 C ATOM 389 O LEU A 25 -5.324 2.503 -9.317 1.00 0.00 O ATOM 390 CB LEU A 25 -4.499 2.007 -6.061 1.00 0.00 C ATOM 391 CG LEU A 25 -3.999 3.430 -6.242 1.00 0.00 C ATOM 392 CD1 LEU A 25 -5.090 4.426 -5.879 1.00 0.00 C ATOM 393 CD2 LEU A 25 -2.757 3.640 -5.404 1.00 0.00 C ATOM 0 H LEU A 25 -5.166 -0.320 -6.180 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.368 2.083 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.006 1.938 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.638 1.340 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.740 3.594 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.716 5.441 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.955 4.269 -6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.382 4.282 -4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.399 4.661 -5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.994 3.470 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.983 2.941 -5.720 1.00 0.00 H new ATOM 405 N ASN A 26 -3.776 0.906 -8.799 1.00 0.00 N ATOM 406 CA ASN A 26 -3.082 0.861 -10.099 1.00 0.00 C ATOM 407 C ASN A 26 -1.655 0.339 -9.950 1.00 0.00 C ATOM 408 O ASN A 26 -0.840 0.491 -10.861 1.00 0.00 O ATOM 409 CB ASN A 26 -3.045 2.225 -10.811 1.00 0.00 C ATOM 410 CG ASN A 26 -2.195 3.277 -10.110 1.00 0.00 C ATOM 411 OD1 ASN A 26 -0.998 3.389 -10.353 1.00 0.00 O ATOM 412 ND2 ASN A 26 -2.821 4.070 -9.255 1.00 0.00 N ATOM 0 H ASN A 26 -3.369 0.278 -8.106 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.664 0.176 -10.715 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.665 2.083 -11.823 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.064 2.601 -10.903 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.306 4.806 -8.771 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.818 3.945 -9.080 1.00 0.00 H new ATOM 419 N VAL A 27 -1.393 -0.326 -8.815 1.00 0.00 N ATOM 420 CA VAL A 27 -0.097 -0.959 -8.502 1.00 0.00 C ATOM 421 C VAL A 27 1.108 -0.229 -9.131 1.00 0.00 C ATOM 422 O VAL A 27 1.824 -0.760 -9.982 1.00 0.00 O ATOM 423 CB VAL A 27 -0.112 -2.477 -8.868 1.00 0.00 C ATOM 424 CG1 VAL A 27 -0.391 -2.707 -10.350 1.00 0.00 C ATOM 425 CG2 VAL A 27 1.182 -3.166 -8.445 1.00 0.00 C ATOM 0 H VAL A 27 -2.085 -0.443 -8.075 1.00 0.00 H new ATOM 0 HA VAL A 27 0.038 -0.871 -7.424 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.933 -2.927 -8.309 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.392 -3.777 -10.558 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.363 -2.286 -10.607 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.383 -2.222 -10.945 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.137 -4.221 -8.715 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.026 -2.697 -8.951 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.308 -3.072 -7.366 1.00 0.00 H new ATOM 435 N PRO A 28 1.338 1.013 -8.683 1.00 0.00 N ATOM 436 CA PRO A 28 2.408 1.885 -9.186 1.00 0.00 C ATOM 437 C PRO A 28 3.670 1.850 -8.328 1.00 0.00 C ATOM 438 O PRO A 28 4.383 2.844 -8.224 1.00 0.00 O ATOM 439 CB PRO A 28 1.754 3.244 -9.015 1.00 0.00 C ATOM 440 CG PRO A 28 1.065 3.110 -7.698 1.00 0.00 C ATOM 441 CD PRO A 28 0.523 1.710 -7.668 1.00 0.00 C ATOM 0 HA PRO A 28 2.736 1.610 -10.189 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.488 4.049 -9.008 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.052 3.460 -9.820 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.758 3.280 -6.874 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.264 3.843 -7.598 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.632 1.257 -6.683 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.538 1.683 -7.915 1.00 0.00 H new ATOM 449 N HIS A 29 3.951 0.716 -7.718 1.00 0.00 N ATOM 450 CA HIS A 29 4.913 0.692 -6.621 1.00 0.00 C ATOM 451 C HIS A 29 5.935 -0.410 -6.739 1.00 0.00 C ATOM 452 O HIS A 29 5.851 -1.268 -7.616 1.00 0.00 O ATOM 453 CB HIS A 29 4.183 0.529 -5.296 1.00 0.00 C ATOM 454 CG HIS A 29 3.190 -0.592 -5.308 1.00 0.00 C ATOM 455 ND1 HIS A 29 1.829 -0.386 -5.335 1.00 0.00 N ATOM 456 CD2 HIS A 29 3.367 -1.936 -5.317 1.00 0.00 C ATOM 457 CE1 HIS A 29 1.211 -1.551 -5.364 1.00 0.00 C ATOM 458 NE2 HIS A 29 2.122 -2.507 -5.352 1.00 0.00 N ATOM 0 H HIS A 29 3.539 -0.187 -7.953 1.00 0.00 H new ATOM 0 HA HIS A 29 5.446 1.642 -6.668 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.912 0.352 -4.505 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.669 1.459 -5.054 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.312 -2.459 -5.300 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.141 -1.698 -5.393 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.930 -3.509 -5.366 1.00 0.00 H new ATOM 467 N ARG A 30 6.884 -0.387 -5.812 1.00 0.00 N ATOM 468 CA ARG A 30 7.880 -1.433 -5.719 1.00 0.00 C ATOM 469 C ARG A 30 7.429 -2.513 -4.740 1.00 0.00 C ATOM 470 O ARG A 30 7.054 -2.212 -3.610 1.00 0.00 O ATOM 471 CB ARG A 30 9.212 -0.850 -5.260 1.00 0.00 C ATOM 472 CG ARG A 30 10.240 -1.912 -4.946 1.00 0.00 C ATOM 473 CD ARG A 30 11.439 -1.340 -4.216 1.00 0.00 C ATOM 474 NE ARG A 30 12.185 -0.377 -5.022 1.00 0.00 N ATOM 475 CZ ARG A 30 13.437 -0.010 -4.755 1.00 0.00 C ATOM 476 NH1 ARG A 30 14.077 -0.542 -3.718 1.00 0.00 N ATOM 477 NH2 ARG A 30 14.048 0.882 -5.521 1.00 0.00 N ATOM 0 H ARG A 30 6.980 0.350 -5.114 1.00 0.00 H new ATOM 0 HA ARG A 30 8.004 -1.879 -6.706 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.602 -0.192 -6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.049 -0.236 -4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.782 -2.692 -4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.570 -2.383 -5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.103 -0.857 -3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.103 -2.154 -3.923 1.00 0.00 H new ATOM 0 HE ARG A 30 11.723 0.036 -5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.609 -1.230 -3.128 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.036 -0.262 -3.512 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.559 1.290 -6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.007 1.161 -5.314 1.00 0.00 H new ATOM 491 N VAL A 31 7.434 -3.752 -5.200 1.00 0.00 N ATOM 492 CA VAL A 31 7.197 -4.907 -4.350 1.00 0.00 C ATOM 493 C VAL A 31 8.510 -5.632 -4.085 1.00 0.00 C ATOM 494 O VAL A 31 9.218 -6.011 -5.018 1.00 0.00 O ATOM 495 CB VAL A 31 6.207 -5.895 -4.997 1.00 0.00 C ATOM 496 CG1 VAL A 31 6.036 -7.145 -4.133 1.00 0.00 C ATOM 497 CG2 VAL A 31 4.872 -5.215 -5.253 1.00 0.00 C ATOM 0 H VAL A 31 7.603 -3.987 -6.178 1.00 0.00 H new ATOM 0 HA VAL A 31 6.767 -4.545 -3.416 1.00 0.00 H new ATOM 0 HB VAL A 31 6.616 -6.213 -5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.332 -7.825 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.999 -7.642 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.654 -6.860 -3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.183 -5.926 -5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.456 -4.863 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.018 -4.368 -5.924 1.00 0.00 H new ATOM 507 N SER A 32 8.833 -5.808 -2.824 1.00 0.00 N ATOM 508 CA SER A 32 10.045 -6.513 -2.438 1.00 0.00 C ATOM 509 C SER A 32 9.793 -7.252 -1.142 1.00 0.00 C ATOM 510 O SER A 32 9.167 -6.708 -0.243 1.00 0.00 O ATOM 511 CB SER A 32 11.206 -5.528 -2.250 1.00 0.00 C ATOM 512 OG SER A 32 11.429 -4.751 -3.420 1.00 0.00 O ATOM 0 H SER A 32 8.273 -5.472 -2.040 1.00 0.00 H new ATOM 0 HA SER A 32 10.313 -7.217 -3.225 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.991 -4.868 -1.410 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.113 -6.078 -1.999 1.00 0.00 H new ATOM 0 HG SER A 32 12.266 -4.251 -3.326 1.00 0.00 H new ATOM 518 N GLU A 33 10.277 -8.472 -1.025 1.00 0.00 N ATOM 519 CA GLU A 33 10.053 -9.228 0.191 1.00 0.00 C ATOM 520 C GLU A 33 11.039 -8.755 1.242 1.00 0.00 C ATOM 521 O GLU A 33 12.198 -9.168 1.281 1.00 0.00 O ATOM 522 CB GLU A 33 10.178 -10.729 -0.066 1.00 0.00 C ATOM 523 CG GLU A 33 9.136 -11.248 -1.045 1.00 0.00 C ATOM 524 CD GLU A 33 9.304 -12.715 -1.370 1.00 0.00 C ATOM 525 OE1 GLU A 33 8.829 -13.562 -0.582 1.00 0.00 O ATOM 526 OE2 GLU A 33 9.898 -13.031 -2.421 1.00 0.00 O ATOM 0 H GLU A 33 10.818 -8.954 -1.742 1.00 0.00 H new ATOM 0 HA GLU A 33 9.038 -9.058 0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.174 -10.945 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.081 -11.264 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.142 -11.086 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.193 -10.669 -1.967 1.00 0.00 H new ATOM 533 N GLU A 34 10.545 -7.869 2.083 1.00 0.00 N ATOM 534 CA GLU A 34 11.366 -7.131 3.012 1.00 0.00 C ATOM 535 C GLU A 34 11.138 -7.640 4.433 1.00 0.00 C ATOM 536 O GLU A 34 10.026 -7.559 4.966 1.00 0.00 O ATOM 537 CB GLU A 34 11.036 -5.636 2.838 1.00 0.00 C ATOM 538 CG GLU A 34 11.375 -4.722 4.003 1.00 0.00 C ATOM 539 CD GLU A 34 12.848 -4.711 4.362 1.00 0.00 C ATOM 540 OE1 GLU A 34 13.324 -5.664 5.011 1.00 0.00 O ATOM 541 OE2 GLU A 34 13.533 -3.735 4.009 1.00 0.00 O ATOM 0 H GLU A 34 9.552 -7.641 2.139 1.00 0.00 H new ATOM 0 HA GLU A 34 12.428 -7.274 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.562 -5.272 1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.969 -5.545 2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.062 -3.707 3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.800 -5.032 4.876 1.00 0.00 H new ATOM 548 N SER A 35 12.198 -8.225 4.997 1.00 0.00 N ATOM 549 CA SER A 35 12.205 -8.761 6.356 1.00 0.00 C ATOM 550 C SER A 35 11.412 -10.064 6.449 1.00 0.00 C ATOM 551 O SER A 35 11.976 -11.134 6.691 1.00 0.00 O ATOM 552 CB SER A 35 11.665 -7.728 7.351 1.00 0.00 C ATOM 553 OG SER A 35 12.408 -6.521 7.277 1.00 0.00 O ATOM 0 H SER A 35 13.088 -8.340 4.513 1.00 0.00 H new ATOM 0 HA SER A 35 13.240 -8.983 6.616 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.615 -7.527 7.140 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.715 -8.130 8.363 1.00 0.00 H new ATOM 0 HG SER A 35 12.360 -6.163 6.366 1.00 0.00 H new ATOM 559 N GLY A 36 10.115 -9.976 6.212 1.00 0.00 N ATOM 560 CA GLY A 36 9.251 -11.128 6.358 1.00 0.00 C ATOM 561 C GLY A 36 7.825 -10.790 6.034 1.00 0.00 C ATOM 562 O GLY A 36 6.896 -11.332 6.624 1.00 0.00 O ATOM 0 H GLY A 36 9.641 -9.122 5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.595 -11.928 5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.314 -11.504 7.379 1.00 0.00 H new ATOM 566 N GLN A 37 7.676 -9.843 5.136 1.00 0.00 N ATOM 567 CA GLN A 37 6.422 -9.545 4.487 1.00 0.00 C ATOM 568 C GLN A 37 6.775 -9.043 3.118 1.00 0.00 C ATOM 569 O GLN A 37 7.877 -8.536 2.918 1.00 0.00 O ATOM 570 CB GLN A 37 5.589 -8.495 5.257 1.00 0.00 C ATOM 571 CG GLN A 37 4.772 -9.085 6.394 1.00 0.00 C ATOM 572 CD GLN A 37 4.125 -8.022 7.249 1.00 0.00 C ATOM 573 OE1 GLN A 37 4.706 -7.554 8.228 1.00 0.00 O ATOM 574 NE2 GLN A 37 2.918 -7.638 6.883 1.00 0.00 N ATOM 0 H GLN A 37 8.443 -9.245 4.830 1.00 0.00 H new ATOM 0 HA GLN A 37 5.797 -10.437 4.448 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.259 -7.734 5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.918 -7.993 4.560 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.001 -9.737 5.984 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.416 -9.706 7.017 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.477 -8.055 6.063 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.426 -6.924 7.419 1.00 0.00 H new ATOM 583 N GLN A 38 5.901 -9.230 2.161 1.00 0.00 N ATOM 584 CA GLN A 38 6.088 -8.579 0.907 1.00 0.00 C ATOM 585 C GLN A 38 5.850 -7.133 1.159 1.00 0.00 C ATOM 586 O GLN A 38 4.936 -6.786 1.887 1.00 0.00 O ATOM 587 CB GLN A 38 5.108 -9.088 -0.123 1.00 0.00 C ATOM 588 CG GLN A 38 5.197 -10.567 -0.416 1.00 0.00 C ATOM 589 CD GLN A 38 3.927 -11.038 -1.079 1.00 0.00 C ATOM 590 OE1 GLN A 38 3.938 -11.915 -1.939 1.00 0.00 O ATOM 591 NE2 GLN A 38 2.811 -10.484 -0.626 1.00 0.00 N ATOM 0 H GLN A 38 5.070 -9.818 2.231 1.00 0.00 H new ATOM 0 HA GLN A 38 7.088 -8.769 0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.097 -8.861 0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.263 -8.539 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.051 -10.767 -1.063 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.361 -11.120 0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.856 -9.759 0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.908 -10.783 -0.993 1.00 0.00 H new ATOM 600 N VAL A 39 6.679 -6.298 0.625 1.00 0.00 N ATOM 601 CA VAL A 39 6.688 -4.938 1.038 1.00 0.00 C ATOM 602 C VAL A 39 6.728 -3.997 -0.140 1.00 0.00 C ATOM 603 O VAL A 39 7.347 -4.260 -1.160 1.00 0.00 O ATOM 604 CB VAL A 39 7.848 -4.746 2.015 1.00 0.00 C ATOM 605 CG1 VAL A 39 8.040 -3.320 2.394 1.00 0.00 C ATOM 606 CG2 VAL A 39 7.561 -5.575 3.223 1.00 0.00 C ATOM 0 H VAL A 39 7.358 -6.536 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 39 5.760 -4.691 1.553 1.00 0.00 H new ATOM 0 HB VAL A 39 8.776 -5.059 1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.876 -3.238 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.251 -2.732 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.134 -2.945 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.371 -5.461 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.625 -5.247 3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.477 -6.623 2.934 1.00 0.00 H new ATOM 616 N LEU A 40 6.030 -2.916 0.034 1.00 0.00 N ATOM 617 CA LEU A 40 5.714 -1.990 -1.006 1.00 0.00 C ATOM 618 C LEU A 40 6.363 -0.655 -0.697 1.00 0.00 C ATOM 619 O LEU A 40 6.197 -0.095 0.392 1.00 0.00 O ATOM 620 CB LEU A 40 4.195 -1.925 -1.055 1.00 0.00 C ATOM 621 CG LEU A 40 3.541 -0.952 -2.045 1.00 0.00 C ATOM 622 CD1 LEU A 40 2.041 -1.159 -2.054 1.00 0.00 C ATOM 623 CD2 LEU A 40 3.847 0.493 -1.707 1.00 0.00 C ATOM 0 H LEU A 40 5.651 -2.646 0.942 1.00 0.00 H new ATOM 0 HA LEU A 40 6.093 -2.288 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.826 -2.926 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.840 -1.671 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 40 3.956 -1.161 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.582 -0.465 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.817 -2.183 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.643 -0.978 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.364 1.147 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.472 0.720 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.925 0.653 -1.735 1.00 0.00 H new ATOM 635 N TRP A 41 7.115 -0.159 -1.656 1.00 0.00 N ATOM 636 CA TRP A 41 7.902 1.034 -1.456 1.00 0.00 C ATOM 637 C TRP A 41 7.551 2.059 -2.528 1.00 0.00 C ATOM 638 O TRP A 41 8.028 1.928 -3.659 1.00 0.00 O ATOM 639 CB TRP A 41 9.416 0.717 -1.564 1.00 0.00 C ATOM 640 CG TRP A 41 9.874 -0.513 -0.819 1.00 0.00 C ATOM 641 CD1 TRP A 41 9.224 -1.698 -0.754 1.00 0.00 C ATOM 642 CD2 TRP A 41 11.091 -0.696 -0.079 1.00 0.00 C ATOM 643 NE1 TRP A 41 9.918 -2.596 -0.002 1.00 0.00 N ATOM 644 CE2 TRP A 41 11.075 -2.012 0.422 1.00 0.00 C ATOM 645 CE3 TRP A 41 12.183 0.118 0.221 1.00 0.00 C ATOM 646 CZ2 TRP A 41 12.101 -2.529 1.198 1.00 0.00 C ATOM 647 CZ3 TRP A 41 13.205 -0.401 0.995 1.00 0.00 C ATOM 648 CH2 TRP A 41 13.158 -1.712 1.476 1.00 0.00 C ATOM 0 H TRP A 41 7.197 -0.568 -2.587 1.00 0.00 H new ATOM 0 HA TRP A 41 7.683 1.425 -0.462 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.671 0.599 -2.617 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.977 1.575 -1.194 1.00 0.00 H new ATOM 0 HD1 TRP A 41 8.279 -1.904 -1.235 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.621 -3.549 0.209 1.00 0.00 H new ATOM 0 HE3 TRP A 41 12.230 1.133 -0.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.065 -3.543 1.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 14.056 0.220 1.232 1.00 0.00 H new ATOM 0 HH2 TRP A 41 13.973 -2.085 2.079 1.00 0.00 H new ATOM 659 N VAL A 42 6.659 3.015 -2.235 1.00 0.00 N ATOM 660 CA VAL A 42 6.542 4.187 -3.128 1.00 0.00 C ATOM 661 C VAL A 42 6.316 5.565 -2.480 1.00 0.00 C ATOM 662 O VAL A 42 5.789 6.451 -3.154 1.00 0.00 O ATOM 663 CB VAL A 42 5.447 4.040 -4.193 1.00 0.00 C ATOM 664 CG1 VAL A 42 5.987 3.292 -5.384 1.00 0.00 C ATOM 665 CG2 VAL A 42 4.216 3.359 -3.627 1.00 0.00 C ATOM 0 H VAL A 42 6.034 3.010 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 42 7.546 4.179 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 42 5.142 5.035 -4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.204 3.191 -6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.828 3.841 -5.807 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.320 2.302 -5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.459 3.270 -4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.483 2.366 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.820 3.951 -2.802 1.00 0.00 H new ATOM 675 N PRO A 43 6.667 5.830 -1.217 1.00 0.00 N ATOM 676 CA PRO A 43 6.533 7.154 -0.673 1.00 0.00 C ATOM 677 C PRO A 43 7.870 7.862 -0.482 1.00 0.00 C ATOM 678 O PRO A 43 8.866 7.535 -1.126 1.00 0.00 O ATOM 679 CB PRO A 43 5.930 6.798 0.655 1.00 0.00 C ATOM 680 CG PRO A 43 6.738 5.641 1.096 1.00 0.00 C ATOM 681 CD PRO A 43 7.133 4.926 -0.165 1.00 0.00 C ATOM 0 HA PRO A 43 5.968 7.843 -1.300 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.994 7.626 1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.875 6.540 0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.616 5.965 1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.164 4.989 1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.210 4.767 -0.218 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.662 3.946 -0.237 1.00 0.00 H new ATOM 689 N ASP A 44 7.872 8.817 0.430 1.00 0.00 N ATOM 690 CA ASP A 44 9.075 9.560 0.784 1.00 0.00 C ATOM 691 C ASP A 44 9.254 9.511 2.291 1.00 0.00 C ATOM 692 O ASP A 44 10.150 8.854 2.814 1.00 0.00 O ATOM 693 CB ASP A 44 8.970 11.027 0.341 1.00 0.00 C ATOM 694 CG ASP A 44 8.740 11.196 -1.145 1.00 0.00 C ATOM 695 OD1 ASP A 44 7.573 11.156 -1.570 1.00 0.00 O ATOM 696 OD2 ASP A 44 9.721 11.398 -1.890 1.00 0.00 O ATOM 0 H ASP A 44 7.041 9.102 0.948 1.00 0.00 H new ATOM 0 HA ASP A 44 9.927 9.106 0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.153 11.504 0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.886 11.549 0.620 1.00 0.00 H new ATOM 701 N GLU A 45 8.362 10.207 2.980 1.00 0.00 N ATOM 702 CA GLU A 45 8.339 10.239 4.430 1.00 0.00 C ATOM 703 C GLU A 45 6.954 10.682 4.877 1.00 0.00 C ATOM 704 O GLU A 45 6.186 9.893 5.416 1.00 0.00 O ATOM 705 CB GLU A 45 9.415 11.187 4.958 1.00 0.00 C ATOM 706 CG GLU A 45 9.530 11.211 6.472 1.00 0.00 C ATOM 707 CD GLU A 45 10.611 12.154 6.945 1.00 0.00 C ATOM 708 OE1 GLU A 45 10.391 13.385 6.905 1.00 0.00 O ATOM 709 OE2 GLU A 45 11.689 11.674 7.348 1.00 0.00 O ATOM 0 H GLU A 45 7.630 10.768 2.544 1.00 0.00 H new ATOM 0 HA GLU A 45 8.551 9.248 4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.378 10.899 4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.201 12.196 4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.575 11.510 6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.742 10.205 6.835 1.00 0.00 H new ATOM 716 N ARG A 46 6.626 11.942 4.616 1.00 0.00 N ATOM 717 CA ARG A 46 5.270 12.429 4.835 1.00 0.00 C ATOM 718 C ARG A 46 4.301 11.709 3.905 1.00 0.00 C ATOM 719 O ARG A 46 3.173 11.399 4.280 1.00 0.00 O ATOM 720 CB ARG A 46 5.165 13.952 4.631 1.00 0.00 C ATOM 721 CG ARG A 46 5.272 14.420 3.186 1.00 0.00 C ATOM 722 CD ARG A 46 6.705 14.447 2.688 1.00 0.00 C ATOM 723 NE ARG A 46 6.794 14.942 1.317 1.00 0.00 N ATOM 724 CZ ARG A 46 7.701 15.827 0.901 1.00 0.00 C ATOM 725 NH1 ARG A 46 8.555 16.363 1.762 1.00 0.00 N ATOM 726 NH2 ARG A 46 7.743 16.195 -0.370 1.00 0.00 N ATOM 0 H ARG A 46 7.276 12.641 4.255 1.00 0.00 H new ATOM 0 HA ARG A 46 5.007 12.218 5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.212 14.292 5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.950 14.436 5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.682 13.761 2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.841 15.417 3.098 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.305 15.079 3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.127 13.443 2.740 1.00 0.00 H new ATOM 0 HE ARG A 46 6.121 14.589 0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.520 16.099 2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.247 17.039 1.440 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.079 15.801 -1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.439 16.872 -0.682 1.00 0.00 H new ATOM 740 N LEU A 47 4.767 11.420 2.692 1.00 0.00 N ATOM 741 CA LEU A 47 3.940 10.753 1.701 1.00 0.00 C ATOM 742 C LEU A 47 3.659 9.324 2.145 1.00 0.00 C ATOM 743 O LEU A 47 2.588 8.810 1.907 1.00 0.00 O ATOM 744 CB LEU A 47 4.624 10.766 0.327 1.00 0.00 C ATOM 745 CG LEU A 47 3.676 10.782 -0.883 1.00 0.00 C ATOM 746 CD1 LEU A 47 4.459 10.944 -2.174 1.00 0.00 C ATOM 747 CD2 LEU A 47 2.843 9.514 -0.938 1.00 0.00 C ATOM 0 H LEU A 47 5.712 11.639 2.376 1.00 0.00 H new ATOM 0 HA LEU A 47 2.995 11.289 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.272 11.641 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.266 9.889 0.252 1.00 0.00 H new ATOM 0 HG LEU A 47 3.004 11.633 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.770 10.953 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.013 11.882 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.156 10.113 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.181 9.551 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.501 8.649 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.248 9.430 -0.029 1.00 0.00 H new ATOM 759 N ALA A 48 4.628 8.701 2.807 1.00 0.00 N ATOM 760 CA ALA A 48 4.484 7.341 3.335 1.00 0.00 C ATOM 761 C ALA A 48 3.138 7.128 4.031 1.00 0.00 C ATOM 762 O ALA A 48 2.490 6.083 3.866 1.00 0.00 O ATOM 763 CB ALA A 48 5.624 7.072 4.298 1.00 0.00 C ATOM 0 H ALA A 48 5.538 9.122 2.995 1.00 0.00 H new ATOM 0 HA ALA A 48 4.518 6.642 2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.531 6.063 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.574 7.167 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.588 7.793 5.115 1.00 0.00 H new ATOM 769 N GLU A 49 2.701 8.141 4.759 1.00 0.00 N ATOM 770 CA GLU A 49 1.463 8.068 5.519 1.00 0.00 C ATOM 771 C GLU A 49 0.301 8.149 4.554 1.00 0.00 C ATOM 772 O GLU A 49 -0.640 7.374 4.616 1.00 0.00 O ATOM 773 CB GLU A 49 1.391 9.214 6.529 1.00 0.00 C ATOM 774 CG GLU A 49 2.639 9.348 7.385 1.00 0.00 C ATOM 775 CD GLU A 49 2.903 8.123 8.233 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.398 7.116 7.694 1.00 0.00 O ATOM 777 OE2 GLU A 49 2.626 8.164 9.450 1.00 0.00 O ATOM 0 H GLU A 49 3.190 9.032 4.841 1.00 0.00 H new ATOM 0 HA GLU A 49 1.423 7.128 6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.225 10.149 5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.529 9.061 7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.499 9.530 6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.537 10.218 8.034 1.00 0.00 H new ATOM 784 N GLN A 50 0.420 9.077 3.628 1.00 0.00 N ATOM 785 CA GLN A 50 -0.553 9.254 2.574 1.00 0.00 C ATOM 786 C GLN A 50 -0.661 7.985 1.728 1.00 0.00 C ATOM 787 O GLN A 50 -1.745 7.609 1.282 1.00 0.00 O ATOM 788 CB GLN A 50 -0.149 10.480 1.729 1.00 0.00 C ATOM 789 CG GLN A 50 -0.350 10.335 0.228 1.00 0.00 C ATOM 790 CD GLN A 50 -1.796 10.108 -0.163 1.00 0.00 C ATOM 791 OE1 GLN A 50 -2.088 9.484 -1.182 1.00 0.00 O ATOM 792 NE2 GLN A 50 -2.707 10.599 0.650 1.00 0.00 N ATOM 0 H GLN A 50 1.200 9.733 3.586 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.541 9.434 2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.721 11.341 2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.902 10.699 1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.017 11.233 -0.269 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.252 9.502 -0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.423 11.111 1.485 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.698 10.468 0.445 1.00 0.00 H new ATOM 801 N VAL A 51 0.448 7.284 1.589 1.00 0.00 N ATOM 802 CA VAL A 51 0.554 6.242 0.602 1.00 0.00 C ATOM 803 C VAL A 51 -0.243 5.032 1.045 1.00 0.00 C ATOM 804 O VAL A 51 -1.149 4.615 0.355 1.00 0.00 O ATOM 805 CB VAL A 51 2.037 5.901 0.254 1.00 0.00 C ATOM 806 CG1 VAL A 51 2.556 4.659 0.956 1.00 0.00 C ATOM 807 CG2 VAL A 51 2.208 5.768 -1.251 1.00 0.00 C ATOM 0 H VAL A 51 1.287 7.422 2.152 1.00 0.00 H new ATOM 0 HA VAL A 51 0.121 6.604 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 51 2.637 6.733 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.592 4.484 0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.500 4.801 2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.949 3.800 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.247 5.530 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.563 4.971 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.937 6.707 -1.732 1.00 0.00 H new ATOM 817 N ARG A 52 0.009 4.496 2.221 1.00 0.00 N ATOM 818 CA ARG A 52 -0.798 3.368 2.631 1.00 0.00 C ATOM 819 C ARG A 52 -2.105 3.873 3.180 1.00 0.00 C ATOM 820 O ARG A 52 -3.166 3.512 2.695 1.00 0.00 O ATOM 821 CB ARG A 52 -0.134 2.493 3.681 1.00 0.00 C ATOM 822 CG ARG A 52 1.325 2.777 3.913 1.00 0.00 C ATOM 823 CD ARG A 52 1.839 1.982 5.090 1.00 0.00 C ATOM 824 NE ARG A 52 1.070 2.222 6.308 1.00 0.00 N ATOM 825 CZ ARG A 52 1.599 2.204 7.527 1.00 0.00 C ATOM 826 NH1 ARG A 52 2.894 1.942 7.689 1.00 0.00 N ATOM 827 NH2 ARG A 52 0.830 2.446 8.578 1.00 0.00 N ATOM 0 H ARG A 52 0.726 4.802 2.879 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.943 2.749 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.667 2.615 4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.243 1.450 3.385 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.897 2.526 3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.470 3.842 4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.807 0.920 4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.884 2.237 5.268 1.00 0.00 H new ATOM 0 HE ARG A 52 0.072 2.414 6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.482 1.755 6.877 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.298 1.929 8.625 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.162 2.645 8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.230 2.434 9.516 1.00 0.00 H new ATOM 841 N GLU A 53 -2.001 4.772 4.147 1.00 0.00 N ATOM 842 CA GLU A 53 -3.130 5.162 4.971 1.00 0.00 C ATOM 843 C GLU A 53 -4.221 5.846 4.189 1.00 0.00 C ATOM 844 O GLU A 53 -5.327 5.957 4.674 1.00 0.00 O ATOM 845 CB GLU A 53 -2.689 6.071 6.105 1.00 0.00 C ATOM 846 CG GLU A 53 -1.530 5.512 6.904 1.00 0.00 C ATOM 847 CD GLU A 53 -1.845 4.157 7.499 1.00 0.00 C ATOM 848 OE1 GLU A 53 -2.452 4.105 8.592 1.00 0.00 O ATOM 849 OE2 GLU A 53 -1.513 3.136 6.866 1.00 0.00 O ATOM 0 H GLU A 53 -1.131 5.250 4.381 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.537 4.235 5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.405 7.040 5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.533 6.243 6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.654 5.429 6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.274 6.207 7.704 1.00 0.00 H new ATOM 856 N LEU A 54 -3.928 6.369 3.026 1.00 0.00 N ATOM 857 CA LEU A 54 -5.010 6.853 2.200 1.00 0.00 C ATOM 858 C LEU A 54 -5.321 5.908 1.075 1.00 0.00 C ATOM 859 O LEU A 54 -6.467 5.777 0.700 1.00 0.00 O ATOM 860 CB LEU A 54 -4.811 8.268 1.694 1.00 0.00 C ATOM 861 CG LEU A 54 -5.035 9.298 2.780 1.00 0.00 C ATOM 862 CD1 LEU A 54 -3.768 9.422 3.585 1.00 0.00 C ATOM 863 CD2 LEU A 54 -5.466 10.632 2.195 1.00 0.00 C ATOM 0 H LEU A 54 -2.990 6.470 2.638 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.877 6.893 2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.801 8.372 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.497 8.457 0.869 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.846 8.976 3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.909 10.161 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.524 8.457 4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.953 9.738 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.619 11.350 3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.692 11.001 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.397 10.503 1.642 1.00 0.00 H new ATOM 875 N TYR A 55 -4.346 5.191 0.563 1.00 0.00 N ATOM 876 CA TYR A 55 -4.655 4.293 -0.537 1.00 0.00 C ATOM 877 C TYR A 55 -5.594 3.219 -0.036 1.00 0.00 C ATOM 878 O TYR A 55 -6.452 2.744 -0.759 1.00 0.00 O ATOM 879 CB TYR A 55 -3.413 3.659 -1.155 1.00 0.00 C ATOM 880 CG TYR A 55 -2.600 4.605 -2.025 1.00 0.00 C ATOM 881 CD1 TYR A 55 -3.079 5.867 -2.361 1.00 0.00 C ATOM 882 CD2 TYR A 55 -1.344 4.235 -2.497 1.00 0.00 C ATOM 883 CE1 TYR A 55 -2.332 6.731 -3.139 1.00 0.00 C ATOM 884 CE2 TYR A 55 -0.593 5.094 -3.277 1.00 0.00 C ATOM 885 CZ TYR A 55 -1.091 6.339 -3.595 1.00 0.00 C ATOM 886 OH TYR A 55 -0.343 7.199 -4.370 1.00 0.00 O ATOM 0 H TYR A 55 -3.373 5.204 0.870 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.124 4.880 -1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.776 3.280 -0.356 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.716 2.801 -1.755 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.051 6.177 -2.008 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.950 3.260 -2.250 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.718 7.708 -3.389 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.380 4.791 -3.636 1.00 0.00 H new ATOM 0 HH TYR A 55 0.506 6.771 -4.608 1.00 0.00 H new ATOM 896 N ARG A 56 -5.462 2.897 1.238 1.00 0.00 N ATOM 897 CA ARG A 56 -6.283 1.865 1.843 1.00 0.00 C ATOM 898 C ARG A 56 -7.691 2.339 2.209 1.00 0.00 C ATOM 899 O ARG A 56 -8.506 1.524 2.633 1.00 0.00 O ATOM 900 CB ARG A 56 -5.598 1.286 3.077 1.00 0.00 C ATOM 901 CG ARG A 56 -5.224 2.311 4.108 1.00 0.00 C ATOM 902 CD ARG A 56 -4.406 1.677 5.236 1.00 0.00 C ATOM 903 NE ARG A 56 -4.325 2.512 6.429 1.00 0.00 N ATOM 904 CZ ARG A 56 -5.247 2.542 7.393 1.00 0.00 C ATOM 905 NH1 ARG A 56 -6.360 1.826 7.285 1.00 0.00 N ATOM 906 NH2 ARG A 56 -5.051 3.284 8.474 1.00 0.00 N ATOM 0 H ARG A 56 -4.795 3.335 1.873 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.397 1.092 1.083 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.259 0.550 3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.699 0.755 2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.648 3.110 3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.126 2.766 4.518 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.849 0.717 5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.398 1.473 4.874 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.508 3.114 6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.516 1.247 6.460 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.059 1.855 8.027 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.196 3.832 8.568 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.756 3.307 9.211 1.00 0.00 H new ATOM 920 N ARG A 57 -7.997 3.636 2.071 1.00 0.00 N ATOM 921 CA ARG A 57 -9.291 4.125 2.569 1.00 0.00 C ATOM 922 C ARG A 57 -9.854 5.343 1.834 1.00 0.00 C ATOM 923 O ARG A 57 -11.043 5.611 1.932 1.00 0.00 O ATOM 924 CB ARG A 57 -9.165 4.428 4.057 1.00 0.00 C ATOM 925 CG ARG A 57 -7.727 4.622 4.479 1.00 0.00 C ATOM 926 CD ARG A 57 -7.548 4.638 5.979 1.00 0.00 C ATOM 927 NE ARG A 57 -8.096 5.835 6.604 1.00 0.00 N ATOM 928 CZ ARG A 57 -9.067 5.827 7.513 1.00 0.00 C ATOM 929 NH1 ARG A 57 -9.689 4.695 7.820 1.00 0.00 N ATOM 930 NH2 ARG A 57 -9.430 6.960 8.097 1.00 0.00 N ATOM 0 H ARG A 57 -7.397 4.339 1.639 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.008 3.326 2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.736 5.326 4.293 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.604 3.612 4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.119 3.823 4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.356 5.559 4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.029 3.758 6.406 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.486 4.566 6.214 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.710 6.737 6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.423 3.825 7.358 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.433 4.695 8.518 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.965 7.833 7.849 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.174 6.959 8.795 1.00 0.00 H new ATOM 944 N TYR A 58 -9.031 6.094 1.123 1.00 0.00 N ATOM 945 CA TYR A 58 -9.532 7.279 0.424 1.00 0.00 C ATOM 946 C TYR A 58 -9.384 7.158 -1.110 1.00 0.00 C ATOM 947 O TYR A 58 -10.387 7.009 -1.792 1.00 0.00 O ATOM 948 CB TYR A 58 -8.908 8.565 0.984 1.00 0.00 C ATOM 949 CG TYR A 58 -9.359 8.890 2.387 1.00 0.00 C ATOM 950 CD1 TYR A 58 -9.091 8.017 3.416 1.00 0.00 C ATOM 951 CD2 TYR A 58 -10.035 10.067 2.681 1.00 0.00 C ATOM 952 CE1 TYR A 58 -9.481 8.286 4.708 1.00 0.00 C ATOM 953 CE2 TYR A 58 -10.434 10.349 3.974 1.00 0.00 C ATOM 954 CZ TYR A 58 -10.152 9.455 4.985 1.00 0.00 C ATOM 955 OH TYR A 58 -10.544 9.727 6.277 1.00 0.00 O ATOM 0 H TYR A 58 -8.033 5.916 1.011 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.603 7.342 0.615 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.822 8.468 0.973 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.160 9.398 0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.562 7.099 3.205 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.251 10.770 1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.262 7.584 5.499 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.964 11.265 4.191 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.005 10.592 6.304 1.00 0.00 H new ATOM 965 N PRO A 59 -8.164 7.272 -1.694 1.00 0.00 N ATOM 966 CA PRO A 59 -7.918 6.932 -3.109 1.00 0.00 C ATOM 967 C PRO A 59 -8.541 5.609 -3.582 1.00 0.00 C ATOM 968 O PRO A 59 -9.058 5.540 -4.694 1.00 0.00 O ATOM 969 CB PRO A 59 -6.398 6.846 -3.153 1.00 0.00 C ATOM 970 CG PRO A 59 -5.962 7.901 -2.211 1.00 0.00 C ATOM 971 CD PRO A 59 -6.952 7.870 -1.092 1.00 0.00 C ATOM 0 HA PRO A 59 -8.373 7.666 -3.774 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.043 5.862 -2.845 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.015 7.023 -4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.952 7.710 -1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.947 8.878 -2.695 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.588 7.274 -0.255 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.150 8.871 -0.708 1.00 0.00 H new