USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 408 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 13 GLN : amide:sc= 0.0828 X(o=-0.67,f=-0.5) USER MOD Set 1.2: A 17 MET CE :methyl -162:sc= -0.127 (180deg=-0.0902) USER MOD Set 1.3: A 47 GLN : amide:sc= -0.626 X(o=-0.67,f=-0.5) USER MOD Set 2.1: A 24 GLN : amide:sc= 1.2 K(o=2.6,f=-3.7!) USER MOD Set 2.2: A 53 GLN : amide:sc= 1.36 K(o=2.6,f=-3.7) USER MOD Set 3.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 16 ASN : amide:sc= 0.681 K(o=0.68,f=0) USER MOD Single : A 1 ALA N :NH3+ -99:sc= 0.0526 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HE2:sc= -0.0372 X(o=-0.037,f=-0.088) USER MOD Single : A 7 GLN : amide:sc= -0.384 K(o=-0.38,f=-1.8) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 9 ASN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.48 X(o=0.48,f=-0.012) USER MOD Single : A 21 ASN : amide:sc= -0.0505 K(o=-0.051,f=-6.4!) USER MOD Single : A 26 ASN : amide:sc= 0.853 K(o=0.85,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.19) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0663) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0.213 X(o=0.21,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -144:sc= 0.024 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.561 K(o=0.56,f=-2.9!) USER MOD Single : A 52 SER OG : rot 5:sc= 0.389 USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0429) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.153 20.005 -2.401 1.00 0.00 N ATOM 2 CA ALA A 1 -14.291 20.152 -1.215 1.00 0.00 C ATOM 3 C ALA A 1 -14.007 18.804 -0.553 1.00 0.00 C ATOM 4 O ALA A 1 -14.783 17.863 -0.706 1.00 0.00 O ATOM 5 CB ALA A 1 -14.915 21.125 -0.210 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.566 20.014 -3.260 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.671 19.105 -2.344 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.831 20.793 -2.437 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.338 20.561 -1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.263 21.219 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.039 22.101 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.887 20.748 0.106 1.00 0.00 H new ATOM 13 N GLN A 2 -12.889 18.725 0.183 1.00 0.00 N ATOM 14 CA GLN A 2 -12.438 17.532 0.893 1.00 0.00 C ATOM 15 C GLN A 2 -12.325 16.337 -0.060 1.00 0.00 C ATOM 16 O GLN A 2 -12.877 15.269 0.201 1.00 0.00 O ATOM 17 CB GLN A 2 -13.347 17.241 2.099 1.00 0.00 C ATOM 18 CG GLN A 2 -13.406 18.428 3.069 1.00 0.00 C ATOM 19 CD GLN A 2 -14.230 18.093 4.309 1.00 0.00 C ATOM 20 OE1 GLN A 2 -13.689 17.983 5.407 1.00 0.00 O ATOM 21 NE2 GLN A 2 -15.544 17.933 4.140 1.00 0.00 N ATOM 0 H GLN A 2 -12.258 19.518 0.301 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.438 17.716 1.285 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.352 17.008 1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.981 16.360 2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.395 18.707 3.366 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.840 19.291 2.564 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -15.955 18.033 3.212 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -16.138 17.711 4.939 1.00 0.00 H new ATOM 30 N HIS A 3 -11.604 16.531 -1.171 1.00 0.00 N ATOM 31 CA HIS A 3 -11.411 15.530 -2.208 1.00 0.00 C ATOM 32 C HIS A 3 -10.182 15.894 -3.040 1.00 0.00 C ATOM 33 O HIS A 3 -9.914 17.070 -3.283 1.00 0.00 O ATOM 34 CB HIS A 3 -12.663 15.448 -3.095 1.00 0.00 C ATOM 35 CG HIS A 3 -12.439 14.698 -4.386 1.00 0.00 C ATOM 36 ND1 HIS A 3 -12.371 13.313 -4.458 1.00 0.00 N ATOM 37 CD2 HIS A 3 -12.184 15.140 -5.663 1.00 0.00 C ATOM 38 CE1 HIS A 3 -12.093 12.998 -5.735 1.00 0.00 C ATOM 39 NE2 HIS A 3 -11.962 14.068 -6.520 1.00 0.00 N ATOM 0 H HIS A 3 -11.130 17.412 -1.371 1.00 0.00 H new ATOM 0 HA HIS A 3 -11.251 14.553 -1.751 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -13.463 14.962 -2.536 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -13.002 16.458 -3.325 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -12.506 12.658 -3.688 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -12.160 16.178 -5.960 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -11.987 11.983 -6.089 1.00 0.00 H new ATOM 47 N ASP A 4 -9.458 14.864 -3.488 1.00 0.00 N ATOM 48 CA ASP A 4 -8.378 14.960 -4.453 1.00 0.00 C ATOM 49 C ASP A 4 -8.251 13.588 -5.109 1.00 0.00 C ATOM 50 O ASP A 4 -7.828 12.638 -4.455 1.00 0.00 O ATOM 51 CB ASP A 4 -7.076 15.379 -3.760 1.00 0.00 C ATOM 52 CG ASP A 4 -5.912 15.391 -4.747 1.00 0.00 C ATOM 53 OD1 ASP A 4 -5.790 16.403 -5.470 1.00 0.00 O ATOM 54 OD2 ASP A 4 -5.170 14.386 -4.767 1.00 0.00 O ATOM 0 H ASP A 4 -9.620 13.908 -3.172 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.585 15.719 -5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.196 16.369 -3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.857 14.692 -2.942 1.00 0.00 H new ATOM 59 N GLU A 5 -8.636 13.483 -6.386 1.00 0.00 N ATOM 60 CA GLU A 5 -8.729 12.218 -7.105 1.00 0.00 C ATOM 61 C GLU A 5 -7.410 11.438 -7.104 1.00 0.00 C ATOM 62 O GLU A 5 -7.434 10.217 -6.987 1.00 0.00 O ATOM 63 CB GLU A 5 -9.244 12.472 -8.527 1.00 0.00 C ATOM 64 CG GLU A 5 -9.508 11.162 -9.279 1.00 0.00 C ATOM 65 CD GLU A 5 -10.153 11.430 -10.635 1.00 0.00 C ATOM 66 OE1 GLU A 5 -9.386 11.693 -11.587 1.00 0.00 O ATOM 67 OE2 GLU A 5 -11.400 11.369 -10.696 1.00 0.00 O ATOM 0 H GLU A 5 -8.895 14.290 -6.953 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.442 11.583 -6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.163 13.057 -8.482 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.514 13.066 -9.077 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.571 10.623 -9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.158 10.521 -8.683 1.00 0.00 H new ATOM 74 N ALA A 6 -6.267 12.124 -7.232 1.00 0.00 N ATOM 75 CA ALA A 6 -4.958 11.481 -7.249 1.00 0.00 C ATOM 76 C ALA A 6 -4.670 10.775 -5.921 1.00 0.00 C ATOM 77 O ALA A 6 -4.340 9.590 -5.908 1.00 0.00 O ATOM 78 CB ALA A 6 -3.877 12.514 -7.578 1.00 0.00 C ATOM 0 H ALA A 6 -6.230 13.139 -7.326 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.954 10.716 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.901 12.028 -7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.077 12.950 -8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.883 13.300 -6.822 1.00 0.00 H new ATOM 84 N GLN A 7 -4.798 11.501 -4.805 1.00 0.00 N ATOM 85 CA GLN A 7 -4.563 10.975 -3.467 1.00 0.00 C ATOM 86 C GLN A 7 -5.573 9.874 -3.130 1.00 0.00 C ATOM 87 O GLN A 7 -5.199 8.833 -2.590 1.00 0.00 O ATOM 88 CB GLN A 7 -4.623 12.136 -2.463 1.00 0.00 C ATOM 89 CG GLN A 7 -4.415 11.706 -1.006 1.00 0.00 C ATOM 90 CD GLN A 7 -3.056 11.048 -0.774 1.00 0.00 C ATOM 91 OE1 GLN A 7 -2.093 11.722 -0.417 1.00 0.00 O ATOM 92 NE2 GLN A 7 -2.975 9.731 -0.968 1.00 0.00 N ATOM 0 H GLN A 7 -5.072 12.484 -4.812 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.575 10.518 -3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.863 12.872 -2.727 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -5.590 12.631 -2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -4.508 12.577 -0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.204 11.011 -0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.799 9.208 -1.265 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.089 9.247 -0.820 1.00 0.00 H new ATOM 101 N GLN A 8 -6.849 10.107 -3.458 1.00 0.00 N ATOM 102 CA GLN A 8 -7.931 9.146 -3.305 1.00 0.00 C ATOM 103 C GLN A 8 -7.567 7.837 -4.003 1.00 0.00 C ATOM 104 O GLN A 8 -7.637 6.777 -3.391 1.00 0.00 O ATOM 105 CB GLN A 8 -9.210 9.749 -3.898 1.00 0.00 C ATOM 106 CG GLN A 8 -10.455 8.886 -3.687 1.00 0.00 C ATOM 107 CD GLN A 8 -11.646 9.523 -4.398 1.00 0.00 C ATOM 108 OE1 GLN A 8 -12.448 10.218 -3.778 1.00 0.00 O ATOM 109 NE2 GLN A 8 -11.755 9.297 -5.709 1.00 0.00 N ATOM 0 H GLN A 8 -7.159 10.997 -3.848 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.095 8.927 -2.250 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.379 10.729 -3.452 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.065 9.906 -4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.283 7.881 -4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.665 8.787 -2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.067 8.714 -6.185 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.526 9.708 -6.235 1.00 0.00 H new ATOM 118 N ASN A 9 -7.171 7.925 -5.279 1.00 0.00 N ATOM 119 CA ASN A 9 -6.775 6.790 -6.098 1.00 0.00 C ATOM 120 C ASN A 9 -5.576 6.064 -5.485 1.00 0.00 C ATOM 121 O ASN A 9 -5.572 4.838 -5.438 1.00 0.00 O ATOM 122 CB ASN A 9 -6.489 7.264 -7.529 1.00 0.00 C ATOM 123 CG ASN A 9 -5.993 6.147 -8.446 1.00 0.00 C ATOM 124 OD1 ASN A 9 -4.976 6.304 -9.116 1.00 0.00 O ATOM 125 ND2 ASN A 9 -6.707 5.019 -8.489 1.00 0.00 N ATOM 0 H ASN A 9 -7.118 8.814 -5.776 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.593 6.070 -6.134 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.397 7.695 -7.950 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.744 8.059 -7.499 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.412 4.252 -9.093 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.547 4.925 -7.918 1.00 0.00 H new ATOM 132 N ALA A 10 -4.570 6.806 -5.007 1.00 0.00 N ATOM 133 CA ALA A 10 -3.392 6.220 -4.382 1.00 0.00 C ATOM 134 C ALA A 10 -3.776 5.371 -3.166 1.00 0.00 C ATOM 135 O ALA A 10 -3.399 4.204 -3.097 1.00 0.00 O ATOM 136 CB ALA A 10 -2.387 7.315 -4.018 1.00 0.00 C ATOM 0 H ALA A 10 -4.555 7.825 -5.045 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.914 5.551 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.511 6.864 -3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.085 7.846 -4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.848 8.016 -3.322 1.00 0.00 H new ATOM 142 N PHE A 11 -4.537 5.936 -2.219 1.00 0.00 N ATOM 143 CA PHE A 11 -5.023 5.197 -1.057 1.00 0.00 C ATOM 144 C PHE A 11 -5.869 3.993 -1.485 1.00 0.00 C ATOM 145 O PHE A 11 -5.678 2.891 -0.972 1.00 0.00 O ATOM 146 CB PHE A 11 -5.853 6.108 -0.140 1.00 0.00 C ATOM 147 CG PHE A 11 -5.140 7.277 0.519 1.00 0.00 C ATOM 148 CD1 PHE A 11 -3.889 7.100 1.146 1.00 0.00 C ATOM 149 CD2 PHE A 11 -5.846 8.479 0.721 1.00 0.00 C ATOM 150 CE1 PHE A 11 -3.345 8.122 1.944 1.00 0.00 C ATOM 151 CE2 PHE A 11 -5.309 9.492 1.535 1.00 0.00 C ATOM 152 CZ PHE A 11 -4.054 9.319 2.139 1.00 0.00 C ATOM 0 H PHE A 11 -4.829 6.913 -2.241 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.152 4.838 -0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.683 6.506 -0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.284 5.490 0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.347 6.176 1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.806 8.623 0.248 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.379 7.986 2.408 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.863 10.405 1.696 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.635 10.103 2.752 1.00 0.00 H new ATOM 162 N TYR A 12 -6.801 4.213 -2.419 1.00 0.00 N ATOM 163 CA TYR A 12 -7.715 3.204 -2.932 1.00 0.00 C ATOM 164 C TYR A 12 -6.952 1.986 -3.453 1.00 0.00 C ATOM 165 O TYR A 12 -7.282 0.862 -3.085 1.00 0.00 O ATOM 166 CB TYR A 12 -8.606 3.826 -4.014 1.00 0.00 C ATOM 167 CG TYR A 12 -9.594 2.864 -4.639 1.00 0.00 C ATOM 168 CD1 TYR A 12 -10.856 2.669 -4.050 1.00 0.00 C ATOM 169 CD2 TYR A 12 -9.248 2.159 -5.807 1.00 0.00 C ATOM 170 CE1 TYR A 12 -11.754 1.740 -4.603 1.00 0.00 C ATOM 171 CE2 TYR A 12 -10.141 1.222 -6.353 1.00 0.00 C ATOM 172 CZ TYR A 12 -11.391 1.005 -5.746 1.00 0.00 C ATOM 173 OH TYR A 12 -12.253 0.081 -6.259 1.00 0.00 O ATOM 0 H TYR A 12 -6.939 5.128 -2.847 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.353 2.851 -2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.156 4.661 -3.579 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.971 4.237 -4.799 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -11.135 3.233 -3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.296 2.338 -6.284 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.723 1.590 -4.150 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.868 0.668 -7.239 1.00 0.00 H new ATOM 0 HH TYR A 12 -11.851 -0.338 -7.049 1.00 0.00 H new ATOM 183 N GLN A 13 -5.929 2.205 -4.288 1.00 0.00 N ATOM 184 CA GLN A 13 -5.068 1.144 -4.792 1.00 0.00 C ATOM 185 C GLN A 13 -4.514 0.316 -3.633 1.00 0.00 C ATOM 186 O GLN A 13 -4.682 -0.900 -3.628 1.00 0.00 O ATOM 187 CB GLN A 13 -3.925 1.730 -5.630 1.00 0.00 C ATOM 188 CG GLN A 13 -4.404 2.197 -7.007 1.00 0.00 C ATOM 189 CD GLN A 13 -3.316 3.005 -7.709 1.00 0.00 C ATOM 190 OE1 GLN A 13 -3.378 4.230 -7.745 1.00 0.00 O ATOM 191 NE2 GLN A 13 -2.310 2.325 -8.264 1.00 0.00 N ATOM 0 H GLN A 13 -5.679 3.132 -4.632 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.661 0.491 -5.432 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.479 2.570 -5.097 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.144 0.980 -5.753 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.674 1.334 -7.616 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.303 2.804 -6.899 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.294 1.306 -8.213 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.558 2.824 -8.739 1.00 0.00 H new ATOM 200 N VAL A 14 -3.871 0.965 -2.654 1.00 0.00 N ATOM 201 CA VAL A 14 -3.250 0.284 -1.522 1.00 0.00 C ATOM 202 C VAL A 14 -4.268 -0.564 -0.748 1.00 0.00 C ATOM 203 O VAL A 14 -3.946 -1.681 -0.349 1.00 0.00 O ATOM 204 CB VAL A 14 -2.506 1.290 -0.625 1.00 0.00 C ATOM 205 CG1 VAL A 14 -1.868 0.577 0.574 1.00 0.00 C ATOM 206 CG2 VAL A 14 -1.380 1.984 -1.405 1.00 0.00 C ATOM 0 H VAL A 14 -3.769 1.980 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.505 -0.414 -1.905 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.238 2.023 -0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.347 1.305 1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.645 0.088 1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.158 -0.170 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.867 2.691 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.670 1.237 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.802 2.517 -2.257 1.00 0.00 H new ATOM 216 N LEU A 15 -5.492 -0.058 -0.550 1.00 0.00 N ATOM 217 CA LEU A 15 -6.569 -0.827 0.065 1.00 0.00 C ATOM 218 C LEU A 15 -6.934 -2.050 -0.787 1.00 0.00 C ATOM 219 O LEU A 15 -7.105 -3.142 -0.250 1.00 0.00 O ATOM 220 CB LEU A 15 -7.809 0.055 0.281 1.00 0.00 C ATOM 221 CG LEU A 15 -7.621 1.148 1.346 1.00 0.00 C ATOM 222 CD1 LEU A 15 -8.789 2.138 1.268 1.00 0.00 C ATOM 223 CD2 LEU A 15 -7.564 0.556 2.761 1.00 0.00 C ATOM 0 H LEU A 15 -5.758 0.891 -0.812 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.214 -1.179 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.076 0.526 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.647 -0.579 0.570 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.675 1.651 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.659 2.914 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.814 2.594 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.726 1.611 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.430 1.359 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.494 0.027 2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.727 -0.139 2.831 1.00 0.00 H new ATOM 235 N ASN A 16 -7.064 -1.865 -2.107 1.00 0.00 N ATOM 236 CA ASN A 16 -7.520 -2.898 -3.031 1.00 0.00 C ATOM 237 C ASN A 16 -6.509 -4.038 -3.189 1.00 0.00 C ATOM 238 O ASN A 16 -6.935 -5.189 -3.262 1.00 0.00 O ATOM 239 CB ASN A 16 -7.878 -2.282 -4.394 1.00 0.00 C ATOM 240 CG ASN A 16 -9.294 -1.702 -4.416 1.00 0.00 C ATOM 241 OD1 ASN A 16 -10.142 -2.164 -5.175 1.00 0.00 O ATOM 242 ND2 ASN A 16 -9.564 -0.692 -3.588 1.00 0.00 N ATOM 0 H ASN A 16 -6.851 -0.979 -2.565 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.418 -3.340 -2.599 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.162 -1.496 -4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.788 -3.043 -5.169 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.497 -0.281 -3.573 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.837 -0.331 -2.970 1.00 0.00 H new ATOM 249 N MET A 17 -5.204 -3.725 -3.253 1.00 0.00 N ATOM 250 CA MET A 17 -4.091 -4.661 -3.443 1.00 0.00 C ATOM 251 C MET A 17 -4.281 -5.967 -2.649 1.00 0.00 C ATOM 252 O MET A 17 -4.053 -5.972 -1.440 1.00 0.00 O ATOM 253 CB MET A 17 -2.780 -3.976 -3.035 1.00 0.00 C ATOM 254 CG MET A 17 -2.209 -3.100 -4.153 1.00 0.00 C ATOM 255 SD MET A 17 -0.701 -2.219 -3.679 1.00 0.00 S ATOM 256 CE MET A 17 -0.929 -0.685 -4.604 1.00 0.00 C ATOM 0 H MET A 17 -4.884 -2.760 -3.169 1.00 0.00 H new ATOM 0 HA MET A 17 -4.059 -4.935 -4.498 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.953 -3.364 -2.150 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.047 -4.734 -2.760 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.998 -3.724 -5.021 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.964 -2.375 -4.457 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.026 -0.167 -4.690 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.309 -0.914 -5.600 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.642 -0.047 -4.081 1.00 0.00 H new ATOM 266 N PRO A 18 -4.697 -7.070 -3.303 1.00 0.00 N ATOM 267 CA PRO A 18 -5.082 -8.315 -2.644 1.00 0.00 C ATOM 268 C PRO A 18 -4.008 -8.943 -1.754 1.00 0.00 C ATOM 269 O PRO A 18 -4.343 -9.562 -0.747 1.00 0.00 O ATOM 270 CB PRO A 18 -5.455 -9.285 -3.769 1.00 0.00 C ATOM 271 CG PRO A 18 -5.926 -8.358 -4.883 1.00 0.00 C ATOM 272 CD PRO A 18 -4.993 -7.161 -4.728 1.00 0.00 C ATOM 0 HA PRO A 18 -5.901 -8.098 -1.959 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.602 -9.888 -4.080 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.239 -9.977 -3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.832 -8.822 -5.865 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.972 -8.076 -4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.081 -7.298 -5.309 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.466 -6.247 -5.088 1.00 0.00 H new ATOM 280 N ASN A 19 -2.730 -8.804 -2.125 1.00 0.00 N ATOM 281 CA ASN A 19 -1.646 -9.549 -1.493 1.00 0.00 C ATOM 282 C ASN A 19 -1.062 -8.823 -0.280 1.00 0.00 C ATOM 283 O ASN A 19 -0.283 -9.426 0.456 1.00 0.00 O ATOM 284 CB ASN A 19 -0.544 -9.839 -2.520 1.00 0.00 C ATOM 285 CG ASN A 19 -1.083 -10.432 -3.821 1.00 0.00 C ATOM 286 OD1 ASN A 19 -1.951 -11.302 -3.805 1.00 0.00 O ATOM 287 ND2 ASN A 19 -0.571 -9.959 -4.959 1.00 0.00 N ATOM 0 H ASN A 19 -2.424 -8.175 -2.867 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.067 -10.486 -1.129 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.009 -8.915 -2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.179 -10.529 -2.084 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.899 -10.320 -5.855 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.148 -9.236 -4.933 1.00 0.00 H new ATOM 294 N LEU A 20 -1.425 -7.552 -0.051 1.00 0.00 N ATOM 295 CA LEU A 20 -0.995 -6.837 1.141 1.00 0.00 C ATOM 296 C LEU A 20 -1.845 -7.259 2.336 1.00 0.00 C ATOM 297 O LEU A 20 -3.066 -7.369 2.219 1.00 0.00 O ATOM 298 CB LEU A 20 -1.106 -5.320 0.960 1.00 0.00 C ATOM 299 CG LEU A 20 -0.258 -4.744 -0.181 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.384 -3.218 -0.159 1.00 0.00 C ATOM 301 CD2 LEU A 20 1.221 -5.118 -0.063 1.00 0.00 C ATOM 0 H LEU A 20 -2.014 -7.006 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 20 0.051 -7.089 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.151 -5.065 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.814 -4.835 1.891 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.629 -5.165 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.214 -2.792 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.428 -2.937 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.027 -2.837 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.774 -4.684 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.620 -4.734 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.325 -6.203 -0.085 1.00 0.00 H new ATOM 313 N ASN A 21 -1.199 -7.460 3.491 1.00 0.00 N ATOM 314 CA ASN A 21 -1.887 -7.693 4.754 1.00 0.00 C ATOM 315 C ASN A 21 -2.157 -6.352 5.440 1.00 0.00 C ATOM 316 O ASN A 21 -1.708 -5.309 4.965 1.00 0.00 O ATOM 317 CB ASN A 21 -1.079 -8.656 5.638 1.00 0.00 C ATOM 318 CG ASN A 21 0.288 -8.112 6.056 1.00 0.00 C ATOM 319 OD1 ASN A 21 0.392 -7.012 6.592 1.00 0.00 O ATOM 320 ND2 ASN A 21 1.345 -8.890 5.820 1.00 0.00 N ATOM 0 H ASN A 21 -0.182 -7.464 3.570 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.849 -8.172 4.571 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.658 -8.885 6.533 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.938 -9.594 5.102 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.278 -8.577 6.087 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.220 -9.798 5.373 1.00 0.00 H new ATOM 327 N ALA A 22 -2.895 -6.387 6.556 1.00 0.00 N ATOM 328 CA ALA A 22 -3.309 -5.206 7.302 1.00 0.00 C ATOM 329 C ALA A 22 -2.126 -4.306 7.657 1.00 0.00 C ATOM 330 O ALA A 22 -2.147 -3.119 7.342 1.00 0.00 O ATOM 331 CB ALA A 22 -4.075 -5.632 8.556 1.00 0.00 C ATOM 0 H ALA A 22 -3.225 -7.259 6.970 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.967 -4.616 6.665 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.383 -4.747 9.112 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.956 -6.204 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.432 -6.249 9.183 1.00 0.00 H new ATOM 337 N ASP A 23 -1.099 -4.867 8.305 1.00 0.00 N ATOM 338 CA ASP A 23 0.077 -4.127 8.748 1.00 0.00 C ATOM 339 C ASP A 23 0.721 -3.373 7.583 1.00 0.00 C ATOM 340 O ASP A 23 1.030 -2.189 7.707 1.00 0.00 O ATOM 341 CB ASP A 23 1.087 -5.082 9.400 1.00 0.00 C ATOM 342 CG ASP A 23 0.469 -5.862 10.557 1.00 0.00 C ATOM 343 OD1 ASP A 23 -0.135 -6.919 10.269 1.00 0.00 O ATOM 344 OD2 ASP A 23 0.606 -5.387 11.705 1.00 0.00 O ATOM 0 H ASP A 23 -1.065 -5.860 8.537 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.238 -3.391 9.488 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.462 -5.780 8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.943 -4.513 9.762 1.00 0.00 H new ATOM 349 N GLN A 24 0.911 -4.064 6.453 1.00 0.00 N ATOM 350 CA GLN A 24 1.527 -3.516 5.256 1.00 0.00 C ATOM 351 C GLN A 24 0.694 -2.369 4.681 1.00 0.00 C ATOM 352 O GLN A 24 1.193 -1.250 4.571 1.00 0.00 O ATOM 353 CB GLN A 24 1.710 -4.634 4.223 1.00 0.00 C ATOM 354 CG GLN A 24 2.775 -5.644 4.674 1.00 0.00 C ATOM 355 CD GLN A 24 2.776 -6.908 3.817 1.00 0.00 C ATOM 356 OE1 GLN A 24 1.857 -7.145 3.037 1.00 0.00 O ATOM 357 NE2 GLN A 24 3.811 -7.737 3.962 1.00 0.00 N ATOM 0 H GLN A 24 0.632 -5.040 6.351 1.00 0.00 H new ATOM 0 HA GLN A 24 2.503 -3.106 5.516 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.761 -5.148 4.069 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.998 -4.202 3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.758 -5.176 4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.599 -5.914 5.715 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.558 -7.510 4.619 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.856 -8.598 3.416 1.00 0.00 H new ATOM 366 N ARG A 25 -0.562 -2.642 4.304 1.00 0.00 N ATOM 367 CA ARG A 25 -1.401 -1.674 3.607 1.00 0.00 C ATOM 368 C ARG A 25 -1.682 -0.440 4.465 1.00 0.00 C ATOM 369 O ARG A 25 -1.522 0.678 3.982 1.00 0.00 O ATOM 370 CB ARG A 25 -2.668 -2.337 3.048 1.00 0.00 C ATOM 371 CG ARG A 25 -3.664 -2.820 4.105 1.00 0.00 C ATOM 372 CD ARG A 25 -4.568 -3.900 3.504 1.00 0.00 C ATOM 373 NE ARG A 25 -5.515 -4.406 4.505 1.00 0.00 N ATOM 374 CZ ARG A 25 -5.834 -5.693 4.734 1.00 0.00 C ATOM 375 NH1 ARG A 25 -5.304 -6.698 4.021 1.00 0.00 N ATOM 376 NH2 ARG A 25 -6.709 -5.980 5.707 1.00 0.00 N ATOM 0 H ARG A 25 -1.018 -3.538 4.475 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.847 -1.305 2.744 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.172 -1.627 2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.374 -3.187 2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.130 -3.218 4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.266 -1.984 4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.115 -3.491 2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.959 -4.721 3.126 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.980 -3.709 5.088 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.635 -6.498 3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.569 -7.662 4.223 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.121 -5.229 6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.963 -6.950 5.895 1.00 0.00 H new ATOM 390 N ASN A 26 -2.069 -0.626 5.734 1.00 0.00 N ATOM 391 CA ASN A 26 -2.281 0.486 6.654 1.00 0.00 C ATOM 392 C ASN A 26 -0.974 1.245 6.888 1.00 0.00 C ATOM 393 O ASN A 26 -0.987 2.472 6.938 1.00 0.00 O ATOM 394 CB ASN A 26 -2.897 0.014 7.976 1.00 0.00 C ATOM 395 CG ASN A 26 -4.360 -0.394 7.806 1.00 0.00 C ATOM 396 OD1 ASN A 26 -5.259 0.412 8.034 1.00 0.00 O ATOM 397 ND2 ASN A 26 -4.613 -1.642 7.407 1.00 0.00 N ATOM 0 H ASN A 26 -2.241 -1.544 6.143 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.994 1.171 6.195 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.326 -0.831 8.362 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.825 0.811 8.716 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.577 -1.952 7.283 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.843 -2.286 7.226 1.00 0.00 H new ATOM 404 N GLY A 27 0.150 0.526 7.012 1.00 0.00 N ATOM 405 CA GLY A 27 1.474 1.116 7.139 1.00 0.00 C ATOM 406 C GLY A 27 1.755 2.099 6.004 1.00 0.00 C ATOM 407 O GLY A 27 2.097 3.253 6.260 1.00 0.00 O ATOM 0 H GLY A 27 0.157 -0.494 7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.555 1.630 8.097 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.227 0.328 7.136 1.00 0.00 H new ATOM 411 N PHE A 28 1.598 1.647 4.753 1.00 0.00 N ATOM 412 CA PHE A 28 1.804 2.487 3.583 1.00 0.00 C ATOM 413 C PHE A 28 0.813 3.653 3.552 1.00 0.00 C ATOM 414 O PHE A 28 1.227 4.775 3.284 1.00 0.00 O ATOM 415 CB PHE A 28 1.732 1.665 2.290 1.00 0.00 C ATOM 416 CG PHE A 28 2.823 0.624 2.103 1.00 0.00 C ATOM 417 CD1 PHE A 28 4.179 1.007 2.135 1.00 0.00 C ATOM 418 CD2 PHE A 28 2.485 -0.699 1.756 1.00 0.00 C ATOM 419 CE1 PHE A 28 5.185 0.075 1.830 1.00 0.00 C ATOM 420 CE2 PHE A 28 3.494 -1.633 1.462 1.00 0.00 C ATOM 421 CZ PHE A 28 4.843 -1.239 1.476 1.00 0.00 C ATOM 0 H PHE A 28 1.325 0.689 4.532 1.00 0.00 H new ATOM 0 HA PHE A 28 2.807 2.908 3.654 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.766 1.161 2.256 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.763 2.351 1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.446 2.021 2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.448 -0.997 1.716 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.223 0.370 1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.232 -2.654 1.225 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.616 -1.947 1.215 1.00 0.00 H new ATOM 431 N ILE A 29 -0.477 3.418 3.825 1.00 0.00 N ATOM 432 CA ILE A 29 -1.488 4.476 3.836 1.00 0.00 C ATOM 433 C ILE A 29 -1.087 5.593 4.804 1.00 0.00 C ATOM 434 O ILE A 29 -1.115 6.762 4.426 1.00 0.00 O ATOM 435 CB ILE A 29 -2.878 3.887 4.149 1.00 0.00 C ATOM 436 CG1 ILE A 29 -3.372 3.104 2.920 1.00 0.00 C ATOM 437 CG2 ILE A 29 -3.899 4.976 4.515 1.00 0.00 C ATOM 438 CD1 ILE A 29 -4.507 2.132 3.246 1.00 0.00 C ATOM 0 H ILE A 29 -0.845 2.492 4.043 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.549 4.926 2.845 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.783 3.229 5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.711 3.808 2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.538 2.549 2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.863 4.514 4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.554 5.517 5.396 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.005 5.670 3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.811 1.610 2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.164 1.407 3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.356 2.685 3.648 1.00 0.00 H new ATOM 450 N GLN A 30 -0.705 5.242 6.037 1.00 0.00 N ATOM 451 CA GLN A 30 -0.269 6.211 7.034 1.00 0.00 C ATOM 452 C GLN A 30 1.006 6.928 6.587 1.00 0.00 C ATOM 453 O GLN A 30 1.083 8.148 6.700 1.00 0.00 O ATOM 454 CB GLN A 30 -0.078 5.528 8.395 1.00 0.00 C ATOM 455 CG GLN A 30 -1.413 5.090 9.016 1.00 0.00 C ATOM 456 CD GLN A 30 -2.336 6.272 9.304 1.00 0.00 C ATOM 457 OE1 GLN A 30 -3.382 6.416 8.675 1.00 0.00 O ATOM 458 NE2 GLN A 30 -1.953 7.126 10.256 1.00 0.00 N ATOM 0 H GLN A 30 -0.691 4.277 6.366 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.046 6.968 7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.568 4.658 8.276 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.430 6.212 9.075 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.915 4.397 8.341 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.220 4.549 9.942 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.078 6.973 10.756 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.536 7.932 10.483 1.00 0.00 H new ATOM 467 N SER A 31 1.997 6.189 6.074 1.00 0.00 N ATOM 468 CA SER A 31 3.242 6.761 5.572 1.00 0.00 C ATOM 469 C SER A 31 2.969 7.814 4.491 1.00 0.00 C ATOM 470 O SER A 31 3.532 8.905 4.532 1.00 0.00 O ATOM 471 CB SER A 31 4.144 5.638 5.048 1.00 0.00 C ATOM 472 OG SER A 31 5.387 6.160 4.633 1.00 0.00 O ATOM 0 H SER A 31 1.953 5.173 5.997 1.00 0.00 H new ATOM 0 HA SER A 31 3.756 7.269 6.388 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.298 4.892 5.828 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.658 5.132 4.214 1.00 0.00 H new ATOM 0 HG SER A 31 5.954 5.432 4.302 1.00 0.00 H new ATOM 478 N LEU A 32 2.092 7.485 3.536 1.00 0.00 N ATOM 479 CA LEU A 32 1.684 8.357 2.444 1.00 0.00 C ATOM 480 C LEU A 32 0.972 9.592 3.007 1.00 0.00 C ATOM 481 O LEU A 32 1.300 10.717 2.644 1.00 0.00 O ATOM 482 CB LEU A 32 0.786 7.553 1.487 1.00 0.00 C ATOM 483 CG LEU A 32 0.773 8.062 0.040 1.00 0.00 C ATOM 484 CD1 LEU A 32 -0.144 7.167 -0.799 1.00 0.00 C ATOM 485 CD2 LEU A 32 0.319 9.520 -0.079 1.00 0.00 C ATOM 0 H LEU A 32 1.635 6.573 3.507 1.00 0.00 H new ATOM 0 HA LEU A 32 2.550 8.713 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.115 6.514 1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.234 7.565 1.871 1.00 0.00 H new ATOM 0 HG LEU A 32 1.798 8.021 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.158 7.524 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.226 6.142 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.154 7.197 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.331 9.821 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.692 9.619 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.995 10.159 0.490 1.00 0.00 H new ATOM 497 N LYS A 33 0.002 9.382 3.906 1.00 0.00 N ATOM 498 CA LYS A 33 -0.748 10.444 4.563 1.00 0.00 C ATOM 499 C LYS A 33 0.195 11.442 5.248 1.00 0.00 C ATOM 500 O LYS A 33 0.005 12.650 5.125 1.00 0.00 O ATOM 501 CB LYS A 33 -1.738 9.813 5.553 1.00 0.00 C ATOM 502 CG LYS A 33 -2.639 10.851 6.228 1.00 0.00 C ATOM 503 CD LYS A 33 -3.628 10.144 7.165 1.00 0.00 C ATOM 504 CE LYS A 33 -4.555 11.138 7.872 1.00 0.00 C ATOM 505 NZ LYS A 33 -3.817 12.022 8.791 1.00 0.00 N ATOM 0 H LYS A 33 -0.284 8.448 4.198 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.310 11.011 3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.358 9.086 5.028 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.184 9.267 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.034 11.561 6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.181 11.422 5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.225 9.434 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.076 9.570 7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.075 11.741 7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.317 10.591 8.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.491 12.585 9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.234 11.447 9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.204 12.659 8.243 1.00 0.00 H new ATOM 519 N ASP A 34 1.210 10.934 5.958 1.00 0.00 N ATOM 520 CA ASP A 34 2.210 11.745 6.640 1.00 0.00 C ATOM 521 C ASP A 34 3.100 12.482 5.636 1.00 0.00 C ATOM 522 O ASP A 34 3.392 13.661 5.830 1.00 0.00 O ATOM 523 CB ASP A 34 3.064 10.865 7.565 1.00 0.00 C ATOM 524 CG ASP A 34 2.255 10.154 8.652 1.00 0.00 C ATOM 525 OD1 ASP A 34 1.216 10.713 9.066 1.00 0.00 O ATOM 526 OD2 ASP A 34 2.696 9.055 9.055 1.00 0.00 O ATOM 0 H ASP A 34 1.356 9.931 6.073 1.00 0.00 H new ATOM 0 HA ASP A 34 1.691 12.491 7.241 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.584 10.119 6.964 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.828 11.483 8.038 1.00 0.00 H new ATOM 531 N ASP A 35 3.533 11.786 4.576 1.00 0.00 N ATOM 532 CA ASP A 35 4.440 12.295 3.555 1.00 0.00 C ATOM 533 C ASP A 35 3.729 12.325 2.198 1.00 0.00 C ATOM 534 O ASP A 35 3.973 11.449 1.369 1.00 0.00 O ATOM 535 CB ASP A 35 5.693 11.409 3.507 1.00 0.00 C ATOM 536 CG ASP A 35 6.449 11.425 4.833 1.00 0.00 C ATOM 537 OD1 ASP A 35 7.225 12.385 5.033 1.00 0.00 O ATOM 538 OD2 ASP A 35 6.234 10.482 5.625 1.00 0.00 O ATOM 0 H ASP A 35 3.248 10.821 4.406 1.00 0.00 H new ATOM 0 HA ASP A 35 4.743 13.313 3.798 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.406 10.386 3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.351 11.753 2.709 1.00 0.00 H new ATOM 543 N PRO A 36 2.855 13.316 1.939 1.00 0.00 N ATOM 544 CA PRO A 36 2.142 13.437 0.672 1.00 0.00 C ATOM 545 C PRO A 36 3.104 13.700 -0.491 1.00 0.00 C ATOM 546 O PRO A 36 2.803 13.346 -1.629 1.00 0.00 O ATOM 547 CB PRO A 36 1.143 14.580 0.867 1.00 0.00 C ATOM 548 CG PRO A 36 1.808 15.448 1.933 1.00 0.00 C ATOM 549 CD PRO A 36 2.505 14.418 2.821 1.00 0.00 C ATOM 0 HA PRO A 36 1.628 12.512 0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.979 15.133 -0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.171 14.213 1.196 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.517 16.152 1.497 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.078 16.035 2.490 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.393 14.842 3.291 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.848 14.084 3.624 1.00 0.00 H new ATOM 557 N SER A 37 4.269 14.295 -0.206 1.00 0.00 N ATOM 558 CA SER A 37 5.370 14.424 -1.148 1.00 0.00 C ATOM 559 C SER A 37 5.770 13.058 -1.718 1.00 0.00 C ATOM 560 O SER A 37 6.042 12.946 -2.912 1.00 0.00 O ATOM 561 CB SER A 37 6.552 15.091 -0.436 1.00 0.00 C ATOM 562 OG SER A 37 6.855 14.404 0.763 1.00 0.00 O ATOM 0 H SER A 37 4.469 14.706 0.706 1.00 0.00 H new ATOM 0 HA SER A 37 5.057 15.043 -1.989 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.424 15.096 -1.090 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.313 16.131 -0.216 1.00 0.00 H new ATOM 0 HG SER A 37 7.613 14.839 1.207 1.00 0.00 H new ATOM 568 N GLN A 38 5.792 12.023 -0.868 1.00 0.00 N ATOM 569 CA GLN A 38 6.168 10.664 -1.231 1.00 0.00 C ATOM 570 C GLN A 38 4.946 9.851 -1.682 1.00 0.00 C ATOM 571 O GLN A 38 4.864 8.660 -1.388 1.00 0.00 O ATOM 572 CB GLN A 38 6.866 10.001 -0.032 1.00 0.00 C ATOM 573 CG GLN A 38 8.151 10.733 0.371 1.00 0.00 C ATOM 574 CD GLN A 38 8.847 10.019 1.527 1.00 0.00 C ATOM 575 OE1 GLN A 38 8.868 10.520 2.649 1.00 0.00 O ATOM 576 NE2 GLN A 38 9.422 8.845 1.259 1.00 0.00 N ATOM 0 H GLN A 38 5.541 12.118 0.116 1.00 0.00 H new ATOM 0 HA GLN A 38 6.857 10.695 -2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.182 9.978 0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.102 8.966 -0.279 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.825 10.791 -0.484 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.915 11.757 0.660 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.383 8.462 0.314 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.900 8.331 1.999 1.00 0.00 H new ATOM 585 N SER A 39 4.000 10.470 -2.404 1.00 0.00 N ATOM 586 CA SER A 39 2.812 9.781 -2.895 1.00 0.00 C ATOM 587 C SER A 39 3.206 8.671 -3.870 1.00 0.00 C ATOM 588 O SER A 39 2.920 7.501 -3.623 1.00 0.00 O ATOM 589 CB SER A 39 1.829 10.778 -3.523 1.00 0.00 C ATOM 590 OG SER A 39 0.670 10.110 -3.978 1.00 0.00 O ATOM 0 H SER A 39 4.042 11.457 -2.659 1.00 0.00 H new ATOM 0 HA SER A 39 2.301 9.312 -2.054 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.554 11.537 -2.791 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.308 11.295 -4.354 1.00 0.00 H new ATOM 0 HG SER A 39 0.052 10.760 -4.374 1.00 0.00 H new ATOM 596 N ALA A 40 3.868 9.047 -4.970 1.00 0.00 N ATOM 597 CA ALA A 40 4.326 8.122 -5.998 1.00 0.00 C ATOM 598 C ALA A 40 5.275 7.071 -5.420 1.00 0.00 C ATOM 599 O ALA A 40 5.189 5.901 -5.785 1.00 0.00 O ATOM 600 CB ALA A 40 5.006 8.908 -7.122 1.00 0.00 C ATOM 0 H ALA A 40 4.101 10.020 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 40 3.463 7.591 -6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.350 8.218 -7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.295 9.611 -7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.858 9.455 -6.719 1.00 0.00 H new ATOM 606 N ASN A 41 6.174 7.489 -4.519 1.00 0.00 N ATOM 607 CA ASN A 41 7.141 6.611 -3.878 1.00 0.00 C ATOM 608 C ASN A 41 6.436 5.512 -3.082 1.00 0.00 C ATOM 609 O ASN A 41 6.635 4.334 -3.368 1.00 0.00 O ATOM 610 CB ASN A 41 8.081 7.438 -2.995 1.00 0.00 C ATOM 611 CG ASN A 41 9.045 6.550 -2.208 1.00 0.00 C ATOM 612 OD1 ASN A 41 10.098 6.174 -2.714 1.00 0.00 O ATOM 613 ND2 ASN A 41 8.686 6.211 -0.968 1.00 0.00 N ATOM 0 H ASN A 41 6.245 8.460 -4.216 1.00 0.00 H new ATOM 0 HA ASN A 41 7.738 6.116 -4.644 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.649 8.130 -3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.493 8.040 -2.302 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.296 5.618 -0.405 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.802 6.545 -0.584 1.00 0.00 H new ATOM 620 N VAL A 42 5.622 5.889 -2.089 1.00 0.00 N ATOM 621 CA VAL A 42 4.944 4.938 -1.215 1.00 0.00 C ATOM 622 C VAL A 42 3.979 4.054 -2.010 1.00 0.00 C ATOM 623 O VAL A 42 3.880 2.859 -1.735 1.00 0.00 O ATOM 624 CB VAL A 42 4.247 5.675 -0.061 1.00 0.00 C ATOM 625 CG1 VAL A 42 3.382 4.717 0.762 1.00 0.00 C ATOM 626 CG2 VAL A 42 5.280 6.294 0.888 1.00 0.00 C ATOM 0 H VAL A 42 5.418 6.865 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 42 5.687 4.273 -0.774 1.00 0.00 H new ATOM 0 HB VAL A 42 3.626 6.450 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.901 5.266 1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.620 4.273 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.008 3.929 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.766 6.811 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.911 5.507 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.899 7.004 0.339 1.00 0.00 H new ATOM 636 N LEU A 43 3.282 4.622 -3.002 1.00 0.00 N ATOM 637 CA LEU A 43 2.442 3.845 -3.902 1.00 0.00 C ATOM 638 C LEU A 43 3.289 2.799 -4.636 1.00 0.00 C ATOM 639 O LEU A 43 2.884 1.645 -4.735 1.00 0.00 O ATOM 640 CB LEU A 43 1.713 4.786 -4.871 1.00 0.00 C ATOM 641 CG LEU A 43 0.768 4.063 -5.846 1.00 0.00 C ATOM 642 CD1 LEU A 43 -0.335 3.288 -5.114 1.00 0.00 C ATOM 643 CD2 LEU A 43 0.126 5.100 -6.775 1.00 0.00 C ATOM 0 H LEU A 43 3.288 5.623 -3.197 1.00 0.00 H new ATOM 0 HA LEU A 43 1.684 3.307 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.139 5.512 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.452 5.346 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 43 1.356 3.342 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.978 2.794 -5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.117 2.540 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.929 3.979 -4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.546 4.598 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.437 5.821 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.905 5.620 -7.334 1.00 0.00 H new ATOM 655 N GLY A 44 4.470 3.195 -5.127 1.00 0.00 N ATOM 656 CA GLY A 44 5.430 2.307 -5.766 1.00 0.00 C ATOM 657 C GLY A 44 5.842 1.156 -4.846 1.00 0.00 C ATOM 658 O GLY A 44 5.833 0.001 -5.267 1.00 0.00 O ATOM 0 H GLY A 44 4.785 4.164 -5.087 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.998 1.903 -6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.314 2.875 -6.055 1.00 0.00 H new ATOM 662 N GLU A 45 6.194 1.470 -3.592 1.00 0.00 N ATOM 663 CA GLU A 45 6.546 0.481 -2.579 1.00 0.00 C ATOM 664 C GLU A 45 5.405 -0.520 -2.385 1.00 0.00 C ATOM 665 O GLU A 45 5.645 -1.724 -2.338 1.00 0.00 O ATOM 666 CB GLU A 45 6.875 1.168 -1.248 1.00 0.00 C ATOM 667 CG GLU A 45 8.152 2.017 -1.318 1.00 0.00 C ATOM 668 CD GLU A 45 8.379 2.851 -0.056 1.00 0.00 C ATOM 669 OE1 GLU A 45 7.512 2.808 0.845 1.00 0.00 O ATOM 670 OE2 GLU A 45 9.430 3.528 -0.014 1.00 0.00 O ATOM 0 H GLU A 45 6.241 2.431 -3.254 1.00 0.00 H new ATOM 0 HA GLU A 45 7.429 -0.058 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.038 1.802 -0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.989 0.411 -0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.010 1.363 -1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.095 2.680 -2.181 1.00 0.00 H new ATOM 677 N ALA A 46 4.168 -0.022 -2.276 1.00 0.00 N ATOM 678 CA ALA A 46 2.984 -0.847 -2.093 1.00 0.00 C ATOM 679 C ALA A 46 2.756 -1.779 -3.286 1.00 0.00 C ATOM 680 O ALA A 46 2.558 -2.976 -3.090 1.00 0.00 O ATOM 681 CB ALA A 46 1.772 0.045 -1.825 1.00 0.00 C ATOM 0 H ALA A 46 3.966 0.977 -2.314 1.00 0.00 H new ATOM 0 HA ALA A 46 3.136 -1.491 -1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.887 -0.576 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.945 0.633 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.619 0.714 -2.671 1.00 0.00 H new ATOM 687 N GLN A 47 2.794 -1.239 -4.513 1.00 0.00 N ATOM 688 CA GLN A 47 2.674 -2.010 -5.747 1.00 0.00 C ATOM 689 C GLN A 47 3.713 -3.133 -5.779 1.00 0.00 C ATOM 690 O GLN A 47 3.373 -4.278 -6.070 1.00 0.00 O ATOM 691 CB GLN A 47 2.864 -1.099 -6.974 1.00 0.00 C ATOM 692 CG GLN A 47 1.687 -0.152 -7.264 1.00 0.00 C ATOM 693 CD GLN A 47 0.424 -0.809 -7.831 1.00 0.00 C ATOM 694 OE1 GLN A 47 -0.577 -0.124 -8.031 1.00 0.00 O ATOM 695 NE2 GLN A 47 0.439 -2.117 -8.099 1.00 0.00 N ATOM 0 H GLN A 47 2.911 -0.238 -4.672 1.00 0.00 H new ATOM 0 HA GLN A 47 1.675 -2.446 -5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.765 -0.502 -6.830 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.033 -1.725 -7.850 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.422 0.361 -6.340 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.024 0.610 -7.967 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.282 -2.664 -7.924 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.393 -2.569 -8.479 1.00 0.00 H new ATOM 704 N LYS A 48 4.974 -2.799 -5.482 1.00 0.00 N ATOM 705 CA LYS A 48 6.082 -3.741 -5.492 1.00 0.00 C ATOM 706 C LYS A 48 5.865 -4.847 -4.456 1.00 0.00 C ATOM 707 O LYS A 48 6.027 -6.022 -4.775 1.00 0.00 O ATOM 708 CB LYS A 48 7.395 -2.983 -5.253 1.00 0.00 C ATOM 709 CG LYS A 48 8.662 -3.852 -5.297 1.00 0.00 C ATOM 710 CD LYS A 48 9.013 -4.402 -6.690 1.00 0.00 C ATOM 711 CE LYS A 48 8.527 -5.839 -6.917 1.00 0.00 C ATOM 712 NZ LYS A 48 8.974 -6.356 -8.221 1.00 0.00 N ATOM 0 H LYS A 48 5.250 -1.851 -5.225 1.00 0.00 H new ATOM 0 HA LYS A 48 6.138 -4.227 -6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.485 -2.197 -6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.342 -2.492 -4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.503 -3.264 -4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.536 -4.690 -4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.575 -3.754 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.094 -4.366 -6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.902 -6.482 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.439 -5.869 -6.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.234 -6.965 -8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.157 -5.561 -8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.846 -6.908 -8.095 1.00 0.00 H new ATOM 726 N LEU A 49 5.501 -4.483 -3.220 1.00 0.00 N ATOM 727 CA LEU A 49 5.316 -5.447 -2.144 1.00 0.00 C ATOM 728 C LEU A 49 4.137 -6.382 -2.441 1.00 0.00 C ATOM 729 O LEU A 49 4.212 -7.579 -2.168 1.00 0.00 O ATOM 730 CB LEU A 49 5.165 -4.728 -0.794 1.00 0.00 C ATOM 731 CG LEU A 49 5.519 -5.655 0.383 1.00 0.00 C ATOM 732 CD1 LEU A 49 7.038 -5.752 0.575 1.00 0.00 C ATOM 733 CD2 LEU A 49 4.905 -5.140 1.686 1.00 0.00 C ATOM 0 H LEU A 49 5.329 -3.516 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 49 6.206 -6.073 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.811 -3.850 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.141 -4.372 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 49 5.116 -6.639 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.257 -6.413 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.495 -6.151 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.443 -4.761 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.169 -5.812 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.287 -4.142 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.820 -5.099 1.586 1.00 0.00 H new ATOM 745 N ASN A 50 3.053 -5.845 -3.016 1.00 0.00 N ATOM 746 CA ASN A 50 1.918 -6.637 -3.470 1.00 0.00 C ATOM 747 C ASN A 50 2.364 -7.634 -4.541 1.00 0.00 C ATOM 748 O ASN A 50 2.058 -8.820 -4.443 1.00 0.00 O ATOM 749 CB ASN A 50 0.812 -5.714 -3.998 1.00 0.00 C ATOM 750 CG ASN A 50 -0.371 -6.507 -4.556 1.00 0.00 C ATOM 751 OD1 ASN A 50 -1.267 -6.906 -3.816 1.00 0.00 O ATOM 752 ND2 ASN A 50 -0.380 -6.741 -5.869 1.00 0.00 N ATOM 0 H ASN A 50 2.945 -4.844 -3.177 1.00 0.00 H new ATOM 0 HA ASN A 50 1.517 -7.203 -2.630 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.467 -5.064 -3.194 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.218 -5.069 -4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.147 -7.266 -6.288 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.381 -6.395 -6.454 1.00 0.00 H new ATOM 759 N ASP A 51 3.083 -7.146 -5.558 1.00 0.00 N ATOM 760 CA ASP A 51 3.575 -7.946 -6.670 1.00 0.00 C ATOM 761 C ASP A 51 4.454 -9.101 -6.181 1.00 0.00 C ATOM 762 O ASP A 51 4.244 -10.241 -6.587 1.00 0.00 O ATOM 763 CB ASP A 51 4.325 -7.040 -7.654 1.00 0.00 C ATOM 764 CG ASP A 51 4.944 -7.835 -8.799 1.00 0.00 C ATOM 765 OD1 ASP A 51 4.170 -8.242 -9.692 1.00 0.00 O ATOM 766 OD2 ASP A 51 6.180 -8.023 -8.759 1.00 0.00 O ATOM 0 H ASP A 51 3.341 -6.162 -5.626 1.00 0.00 H new ATOM 0 HA ASP A 51 2.728 -8.397 -7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.639 -6.296 -8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.108 -6.497 -7.124 1.00 0.00 H new ATOM 771 N SER A 52 5.428 -8.818 -5.308 1.00 0.00 N ATOM 772 CA SER A 52 6.316 -9.833 -4.758 1.00 0.00 C ATOM 773 C SER A 52 5.553 -10.886 -3.946 1.00 0.00 C ATOM 774 O SER A 52 5.963 -12.044 -3.920 1.00 0.00 O ATOM 775 CB SER A 52 7.423 -9.175 -3.929 1.00 0.00 C ATOM 776 OG SER A 52 6.885 -8.353 -2.917 1.00 0.00 O ATOM 0 H SER A 52 5.618 -7.876 -4.967 1.00 0.00 H new ATOM 0 HA SER A 52 6.778 -10.362 -5.592 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.051 -9.945 -3.480 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.064 -8.581 -4.580 1.00 0.00 H new ATOM 0 HG SER A 52 5.909 -8.438 -2.911 1.00 0.00 H new ATOM 782 N GLN A 53 4.445 -10.495 -3.300 1.00 0.00 N ATOM 783 CA GLN A 53 3.609 -11.397 -2.516 1.00 0.00 C ATOM 784 C GLN A 53 2.508 -12.052 -3.364 1.00 0.00 C ATOM 785 O GLN A 53 1.640 -12.723 -2.807 1.00 0.00 O ATOM 786 CB GLN A 53 3.004 -10.626 -1.334 1.00 0.00 C ATOM 787 CG GLN A 53 4.070 -10.229 -0.304 1.00 0.00 C ATOM 788 CD GLN A 53 3.454 -9.425 0.838 1.00 0.00 C ATOM 789 OE1 GLN A 53 3.421 -9.880 1.979 1.00 0.00 O ATOM 790 NE2 GLN A 53 2.966 -8.223 0.532 1.00 0.00 N ATOM 0 H GLN A 53 4.106 -9.533 -3.311 1.00 0.00 H new ATOM 0 HA GLN A 53 4.236 -12.207 -2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.504 -9.730 -1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.244 -11.240 -0.851 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.548 -11.124 0.093 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.849 -9.640 -0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.013 -7.883 -0.428 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.545 -7.643 1.258 1.00 0.00 H new ATOM 799 N ALA A 54 2.528 -11.891 -4.696 1.00 0.00 N ATOM 800 CA ALA A 54 1.573 -12.548 -5.579 1.00 0.00 C ATOM 801 C ALA A 54 1.835 -14.060 -5.594 1.00 0.00 C ATOM 802 O ALA A 54 2.975 -14.453 -5.840 1.00 0.00 O ATOM 803 CB ALA A 54 1.688 -11.972 -6.992 1.00 0.00 C ATOM 0 H ALA A 54 3.206 -11.304 -5.182 1.00 0.00 H new ATOM 0 HA ALA A 54 0.562 -12.371 -5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.971 -12.468 -7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.478 -10.903 -6.967 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.697 -12.134 -7.370 1.00 0.00 H new ATOM 809 N PRO A 55 0.822 -14.913 -5.342 1.00 0.00 N ATOM 810 CA PRO A 55 0.913 -16.359 -5.454 1.00 0.00 C ATOM 811 C PRO A 55 1.452 -16.798 -6.814 1.00 0.00 C ATOM 812 O PRO A 55 0.735 -16.841 -7.812 1.00 0.00 O ATOM 813 CB PRO A 55 -0.487 -16.909 -5.189 1.00 0.00 C ATOM 814 CG PRO A 55 -1.099 -15.842 -4.289 1.00 0.00 C ATOM 815 CD PRO A 55 -0.493 -14.555 -4.848 1.00 0.00 C ATOM 0 HA PRO A 55 1.624 -16.753 -4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.054 -17.035 -6.111 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.454 -17.882 -4.699 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.187 -15.837 -4.347 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.836 -15.994 -3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.112 -14.147 -5.647 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.424 -13.789 -4.076 1.00 0.00 H new ATOM 823 N LYS A 56 2.744 -17.113 -6.810 1.00 0.00 N ATOM 824 CA LYS A 56 3.529 -17.520 -7.966 1.00 0.00 C ATOM 825 C LYS A 56 3.533 -16.403 -9.015 1.00 0.00 C ATOM 826 O LYS A 56 4.178 -15.369 -8.733 1.00 0.00 O ATOM 827 CB LYS A 56 3.030 -18.865 -8.523 1.00 0.00 C ATOM 828 CG LYS A 56 3.176 -19.994 -7.493 1.00 0.00 C ATOM 829 CD LYS A 56 2.594 -21.326 -7.993 1.00 0.00 C ATOM 830 CE LYS A 56 3.253 -21.880 -9.264 1.00 0.00 C ATOM 831 NZ LYS A 56 4.674 -22.097 -9.065 1.00 0.00 N ATOM 832 OXT LYS A 56 2.897 -16.593 -10.075 1.00 0.00 O ATOM 0 H LYS A 56 3.299 -17.089 -5.954 1.00 0.00 H new ATOM 0 HA LYS A 56 4.563 -17.682 -7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.984 -18.772 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.592 -19.118 -9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.231 -20.129 -7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.674 -19.706 -6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.687 -22.068 -7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.529 -21.193 -8.181 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.775 -22.818 -9.546 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.100 -21.184 -10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.074 -22.565 -9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.148 -21.183 -8.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.820 -22.699 -8.229 1.00 0.00 H new TER 845 LYS A 56