USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 844 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 101 HIS :FLIP no HE2:sc= 0.15 F(o=-0.83,f=0.57) USER MOD Set 1.2: A 102 TYR OH : rot 105:sc= 0.424 USER MOD Set 2.1: A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 99 THR OG1 : rot 180:sc= 0.0416 USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.128 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.511 K(o=-0.51,f=-3.8!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0443 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.913 K(o=-0.91,f=-6.6!) USER MOD Single : A 23 TYR OH : rot -72:sc= 0.61 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0699 K(o=-0.07,f=-1.8) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= -0.101 USER MOD Single : A 56 SER OG : rot 39:sc= 0.544 USER MOD Single : A 57 ASN : amide:sc= 0.792 K(o=0.79,f=-3.7!) USER MOD Single : A 64 SER OG : rot 150:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.55 K(o=-0.55,f=-1.9) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1.2 K(o=-1.2,f=-5!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 121:sc= 2.17 USER MOD Single : A 91 SER OG : rot 55:sc= 0.582 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 79:sc= 0.705 USER MOD Single : A 104 THR OG1 : rot -60:sc= 0.937 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.086 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.227 -3.065 13.657 1.00 0.00 N ATOM 2 CA ALA A 1 12.620 -3.420 12.386 1.00 0.00 C ATOM 3 C ALA A 1 11.652 -2.314 11.961 1.00 0.00 C ATOM 4 O ALA A 1 11.281 -1.465 12.769 1.00 0.00 O ATOM 5 CB ALA A 1 11.932 -4.781 12.510 1.00 0.00 C ATOM 0 H1 ALA A 1 14.235 -2.855 13.513 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.751 -2.227 14.047 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.130 -3.859 14.322 1.00 0.00 H new ATOM 0 HA ALA A 1 13.380 -3.509 11.610 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.477 -5.047 11.556 1.00 0.00 H new ATOM 0 HB2 ALA A 1 12.668 -5.537 12.784 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.161 -4.730 13.278 1.00 0.00 H new ATOM 11 N VAL A 2 11.272 -2.360 10.692 1.00 0.00 N ATOM 12 CA VAL A 2 10.356 -1.371 10.149 1.00 0.00 C ATOM 13 C VAL A 2 8.919 -1.867 10.317 1.00 0.00 C ATOM 14 O VAL A 2 8.688 -3.061 10.502 1.00 0.00 O ATOM 15 CB VAL A 2 10.717 -1.067 8.694 1.00 0.00 C ATOM 16 CG1 VAL A 2 12.210 -0.759 8.553 1.00 0.00 C ATOM 17 CG2 VAL A 2 10.305 -2.218 7.774 1.00 0.00 C ATOM 0 H VAL A 2 11.582 -3.066 10.025 1.00 0.00 H new ATOM 0 HA VAL A 2 10.441 -0.431 10.694 1.00 0.00 H new ATOM 0 HB VAL A 2 10.161 -0.180 8.389 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.441 -0.546 7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.462 0.108 9.164 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.792 -1.619 8.885 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.573 -1.976 6.746 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.820 -3.129 8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.228 -2.370 7.842 1.00 0.00 H new ATOM 27 N ILE A 3 7.989 -0.925 10.247 1.00 0.00 N ATOM 28 CA ILE A 3 6.577 -1.260 10.316 1.00 0.00 C ATOM 29 C ILE A 3 6.050 -1.523 8.904 1.00 0.00 C ATOM 30 O ILE A 3 6.149 -0.662 8.031 1.00 0.00 O ATOM 31 CB ILE A 3 5.805 -0.174 11.069 1.00 0.00 C ATOM 32 CG1 ILE A 3 6.227 -0.121 12.539 1.00 0.00 C ATOM 33 CG2 ILE A 3 4.295 -0.367 10.912 1.00 0.00 C ATOM 34 CD1 ILE A 3 5.531 -1.216 13.349 1.00 0.00 C ATOM 0 H ILE A 3 8.186 0.070 10.143 1.00 0.00 H new ATOM 0 HA ILE A 3 6.430 -2.177 10.887 1.00 0.00 H new ATOM 0 HB ILE A 3 6.054 0.791 10.628 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.308 -0.239 12.615 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.983 0.856 12.956 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.769 0.417 11.456 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.030 -0.316 9.856 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.009 -1.340 11.312 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.848 -1.156 14.390 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.451 -1.081 13.291 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.797 -2.193 12.944 1.00 0.00 H new ATOM 46 N ASN A 4 5.502 -2.716 8.724 1.00 0.00 N ATOM 47 CA ASN A 4 5.060 -3.145 7.408 1.00 0.00 C ATOM 48 C ASN A 4 4.038 -4.273 7.561 1.00 0.00 C ATOM 49 O ASN A 4 4.051 -5.235 6.795 1.00 0.00 O ATOM 50 CB ASN A 4 6.231 -3.677 6.580 1.00 0.00 C ATOM 51 CG ASN A 4 6.792 -4.964 7.187 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.689 -5.217 8.377 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.391 -5.762 6.307 1.00 0.00 N ATOM 0 H ASN A 4 5.354 -3.399 9.467 1.00 0.00 H new ATOM 0 HA ASN A 4 4.622 -2.284 6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.902 -3.866 5.558 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.016 -2.923 6.528 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.798 -6.645 6.614 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.443 -5.491 5.325 1.00 0.00 H new ATOM 60 N THR A 5 3.177 -4.118 8.556 1.00 0.00 N ATOM 61 CA THR A 5 2.109 -5.077 8.778 1.00 0.00 C ATOM 62 C THR A 5 0.747 -4.427 8.526 1.00 0.00 C ATOM 63 O THR A 5 0.649 -3.206 8.418 1.00 0.00 O ATOM 64 CB THR A 5 2.262 -5.636 10.194 1.00 0.00 C ATOM 65 OG1 THR A 5 2.250 -4.480 11.027 1.00 0.00 O ATOM 66 CG2 THR A 5 3.641 -6.253 10.434 1.00 0.00 C ATOM 0 H THR A 5 3.198 -3.342 9.218 1.00 0.00 H new ATOM 0 HA THR A 5 2.172 -5.908 8.076 1.00 0.00 H new ATOM 0 HB THR A 5 1.492 -6.387 10.373 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.343 -4.751 11.964 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.697 -6.634 11.454 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.801 -7.071 9.731 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.410 -5.494 10.288 1.00 0.00 H new ATOM 74 N PHE A 6 -0.269 -5.272 8.439 1.00 0.00 N ATOM 75 CA PHE A 6 -1.619 -4.796 8.187 1.00 0.00 C ATOM 76 C PHE A 6 -2.109 -3.906 9.332 1.00 0.00 C ATOM 77 O PHE A 6 -2.660 -2.833 9.095 1.00 0.00 O ATOM 78 CB PHE A 6 -2.519 -6.030 8.096 1.00 0.00 C ATOM 79 CG PHE A 6 -2.338 -6.838 6.809 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.776 -6.336 5.624 1.00 0.00 C ATOM 81 CD2 PHE A 6 -1.738 -8.059 6.851 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.608 -7.086 4.430 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.570 -8.808 5.657 1.00 0.00 C ATOM 84 CZ PHE A 6 -2.008 -8.306 4.472 1.00 0.00 C ATOM 0 H PHE A 6 -0.185 -6.284 8.538 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.641 -4.208 7.270 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.319 -6.677 8.950 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.560 -5.715 8.172 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.252 -5.367 5.591 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.390 -8.458 7.792 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.957 -6.688 3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.094 -9.777 5.690 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.880 -8.876 3.564 1.00 0.00 H new ATOM 94 N ASP A 7 -1.890 -4.386 10.547 1.00 0.00 N ATOM 95 CA ASP A 7 -2.335 -3.664 11.727 1.00 0.00 C ATOM 96 C ASP A 7 -1.439 -2.443 11.941 1.00 0.00 C ATOM 97 O ASP A 7 -1.913 -1.386 12.354 1.00 0.00 O ATOM 98 CB ASP A 7 -2.242 -4.543 12.977 1.00 0.00 C ATOM 99 CG ASP A 7 -3.001 -5.869 12.892 1.00 0.00 C ATOM 100 OD1 ASP A 7 -2.560 -6.725 12.095 1.00 0.00 O ATOM 101 OD2 ASP A 7 -4.004 -5.997 13.628 1.00 0.00 O ATOM 0 H ASP A 7 -1.411 -5.265 10.740 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.372 -3.367 11.570 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.192 -4.755 13.177 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.621 -3.979 13.829 1.00 0.00 H new ATOM 106 N GLY A 8 -0.160 -2.629 11.650 1.00 0.00 N ATOM 107 CA GLY A 8 0.835 -1.619 11.970 1.00 0.00 C ATOM 108 C GLY A 8 0.675 -0.389 11.074 1.00 0.00 C ATOM 109 O GLY A 8 0.589 0.735 11.566 1.00 0.00 O ATOM 0 H GLY A 8 0.210 -3.464 11.196 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.739 -1.327 13.016 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.835 -2.036 11.846 1.00 0.00 H new ATOM 113 N VAL A 9 0.639 -0.643 9.774 1.00 0.00 N ATOM 114 CA VAL A 9 0.519 0.432 8.804 1.00 0.00 C ATOM 115 C VAL A 9 -0.831 1.128 8.985 1.00 0.00 C ATOM 116 O VAL A 9 -0.919 2.352 8.900 1.00 0.00 O ATOM 117 CB VAL A 9 0.725 -0.114 7.390 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.399 0.949 6.339 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.148 -0.645 7.209 1.00 0.00 C ATOM 0 H VAL A 9 0.691 -1.578 9.370 1.00 0.00 H new ATOM 0 HA VAL A 9 1.295 1.180 8.965 1.00 0.00 H new ATOM 0 HB VAL A 9 0.036 -0.947 7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.554 0.535 5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.640 1.259 6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.051 1.811 6.479 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.268 -1.027 6.195 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.862 0.161 7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.330 -1.448 7.923 1.00 0.00 H new ATOM 129 N ALA A 10 -1.851 0.318 9.232 1.00 0.00 N ATOM 130 CA ALA A 10 -3.194 0.840 9.416 1.00 0.00 C ATOM 131 C ALA A 10 -3.170 1.934 10.485 1.00 0.00 C ATOM 132 O ALA A 10 -3.808 2.974 10.329 1.00 0.00 O ATOM 133 CB ALA A 10 -4.142 -0.305 9.775 1.00 0.00 C ATOM 0 H ALA A 10 -1.774 -0.696 9.309 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.560 1.289 8.493 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.150 0.087 9.913 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.146 -1.040 8.970 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.807 -0.779 10.698 1.00 0.00 H new ATOM 139 N ASP A 11 -2.426 1.663 11.547 1.00 0.00 N ATOM 140 CA ASP A 11 -2.343 2.593 12.661 1.00 0.00 C ATOM 141 C ASP A 11 -1.642 3.872 12.199 1.00 0.00 C ATOM 142 O ASP A 11 -2.124 4.975 12.454 1.00 0.00 O ATOM 143 CB ASP A 11 -1.532 2.000 13.814 1.00 0.00 C ATOM 144 CG ASP A 11 -2.351 1.605 15.045 1.00 0.00 C ATOM 145 OD1 ASP A 11 -2.612 2.510 15.867 1.00 0.00 O ATOM 146 OD2 ASP A 11 -2.699 0.408 15.135 1.00 0.00 O ATOM 0 H ASP A 11 -1.875 0.812 11.660 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.357 2.802 13.003 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.003 1.119 13.451 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.776 2.724 14.117 1.00 0.00 H new ATOM 151 N TYR A 12 -0.516 3.683 11.527 1.00 0.00 N ATOM 152 CA TYR A 12 0.363 4.796 11.211 1.00 0.00 C ATOM 153 C TYR A 12 -0.341 5.812 10.310 1.00 0.00 C ATOM 154 O TYR A 12 -0.068 7.009 10.386 1.00 0.00 O ATOM 155 CB TYR A 12 1.549 4.195 10.453 1.00 0.00 C ATOM 156 CG TYR A 12 2.791 3.971 11.318 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.733 3.116 12.400 1.00 0.00 C ATOM 158 CD2 TYR A 12 3.969 4.623 11.015 1.00 0.00 C ATOM 159 CE1 TYR A 12 3.903 2.905 13.214 1.00 0.00 C ATOM 160 CE2 TYR A 12 5.138 4.412 11.829 1.00 0.00 C ATOM 161 CZ TYR A 12 5.047 3.564 12.888 1.00 0.00 C ATOM 162 OH TYR A 12 6.152 3.365 13.656 1.00 0.00 O ATOM 0 H TYR A 12 -0.192 2.775 11.193 1.00 0.00 H new ATOM 0 HA TYR A 12 0.667 5.315 12.120 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.245 3.243 10.019 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.810 4.854 9.625 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.811 2.605 12.636 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.014 5.291 10.168 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.872 2.239 14.063 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.066 4.916 11.603 1.00 0.00 H new ATOM 0 HH TYR A 12 6.895 3.899 13.305 1.00 0.00 H new ATOM 172 N LEU A 13 -1.234 5.297 9.477 1.00 0.00 N ATOM 173 CA LEU A 13 -2.020 6.150 8.602 1.00 0.00 C ATOM 174 C LEU A 13 -2.756 7.196 9.442 1.00 0.00 C ATOM 175 O LEU A 13 -2.603 8.396 9.220 1.00 0.00 O ATOM 176 CB LEU A 13 -2.945 5.308 7.721 1.00 0.00 C ATOM 177 CG LEU A 13 -2.309 4.701 6.469 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.800 3.270 6.243 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.551 5.589 5.247 1.00 0.00 C ATOM 0 H LEU A 13 -1.430 4.300 9.390 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.370 6.692 7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.353 4.498 8.326 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.785 5.930 7.412 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.231 4.651 6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.333 2.862 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.535 2.654 7.103 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.883 3.272 6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.089 5.135 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.623 5.693 5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.114 6.572 5.420 1.00 0.00 H new ATOM 191 N ILE A 14 -3.538 6.702 10.391 1.00 0.00 N ATOM 192 CA ILE A 14 -4.340 7.577 11.230 1.00 0.00 C ATOM 193 C ILE A 14 -3.415 8.462 12.068 1.00 0.00 C ATOM 194 O ILE A 14 -3.708 9.635 12.292 1.00 0.00 O ATOM 195 CB ILE A 14 -5.330 6.760 12.062 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.610 6.479 11.272 1.00 0.00 C ATOM 197 CG2 ILE A 14 -5.620 7.447 13.398 1.00 0.00 C ATOM 198 CD1 ILE A 14 -6.327 5.572 10.074 1.00 0.00 C ATOM 0 H ILE A 14 -3.633 5.708 10.597 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.947 8.242 10.616 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.873 5.796 12.287 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.347 6.009 11.923 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.042 7.418 10.927 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.327 6.846 13.970 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.693 7.552 13.962 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.047 8.433 13.215 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.253 5.388 9.530 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.608 6.056 9.413 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.918 4.624 10.424 1.00 0.00 H new ATOM 210 N ARG A 15 -2.317 7.865 12.507 1.00 0.00 N ATOM 211 CA ARG A 15 -1.487 8.483 13.527 1.00 0.00 C ATOM 212 C ARG A 15 -0.755 9.698 12.953 1.00 0.00 C ATOM 213 O ARG A 15 -0.959 10.822 13.407 1.00 0.00 O ATOM 214 CB ARG A 15 -0.460 7.491 14.078 1.00 0.00 C ATOM 215 CG ARG A 15 -0.215 7.727 15.569 1.00 0.00 C ATOM 216 CD ARG A 15 0.863 6.782 16.104 1.00 0.00 C ATOM 217 NE ARG A 15 0.469 6.265 17.434 1.00 0.00 N ATOM 218 CZ ARG A 15 -0.356 5.227 17.622 1.00 0.00 C ATOM 219 NH1 ARG A 15 -0.985 4.673 16.577 1.00 0.00 N ATOM 220 NH2 ARG A 15 -0.551 4.741 18.856 1.00 0.00 N ATOM 0 H ARG A 15 -1.983 6.960 12.175 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.142 8.799 14.339 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.813 6.472 13.921 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.478 7.592 13.531 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.089 8.761 15.732 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.142 7.577 16.122 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.008 5.953 15.411 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.815 7.307 16.176 1.00 0.00 H new ATOM 0 HE ARG A 15 0.850 6.728 18.259 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.836 5.042 15.638 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.613 3.882 16.721 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.071 5.162 19.652 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.179 3.950 18.999 1.00 0.00 H new ATOM 234 N TYR A 16 0.083 9.429 11.962 1.00 0.00 N ATOM 235 CA TYR A 16 0.937 10.463 11.403 1.00 0.00 C ATOM 236 C TYR A 16 0.286 11.108 10.177 1.00 0.00 C ATOM 237 O TYR A 16 0.839 12.041 9.595 1.00 0.00 O ATOM 238 CB TYR A 16 2.224 9.759 10.971 1.00 0.00 C ATOM 239 CG TYR A 16 2.994 9.109 12.123 1.00 0.00 C ATOM 240 CD1 TYR A 16 3.757 9.887 12.969 1.00 0.00 C ATOM 241 CD2 TYR A 16 2.925 7.744 12.315 1.00 0.00 C ATOM 242 CE1 TYR A 16 4.481 9.275 14.053 1.00 0.00 C ATOM 243 CE2 TYR A 16 3.649 7.132 13.398 1.00 0.00 C ATOM 244 CZ TYR A 16 4.391 7.927 14.214 1.00 0.00 C ATOM 245 OH TYR A 16 5.075 7.349 15.238 1.00 0.00 O ATOM 0 H TYR A 16 0.188 8.510 11.532 1.00 0.00 H new ATOM 0 HA TYR A 16 1.117 11.250 12.135 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.978 8.994 10.234 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.873 10.481 10.476 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.811 10.955 12.818 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.328 7.135 11.653 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.082 9.872 14.723 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.604 6.065 13.559 1.00 0.00 H new ATOM 0 HH TYR A 16 4.917 6.382 15.232 1.00 0.00 H new ATOM 255 N LYS A 17 -0.878 10.586 9.820 1.00 0.00 N ATOM 256 CA LYS A 17 -1.639 11.139 8.714 1.00 0.00 C ATOM 257 C LYS A 17 -0.911 10.845 7.401 1.00 0.00 C ATOM 258 O LYS A 17 -0.983 11.630 6.457 1.00 0.00 O ATOM 259 CB LYS A 17 -1.914 12.627 8.944 1.00 0.00 C ATOM 260 CG LYS A 17 -3.236 13.046 8.297 1.00 0.00 C ATOM 261 CD LYS A 17 -4.421 12.713 9.205 1.00 0.00 C ATOM 262 CE LYS A 17 -4.652 13.822 10.234 1.00 0.00 C ATOM 263 NZ LYS A 17 -5.747 13.451 11.159 1.00 0.00 N ATOM 0 H LYS A 17 -1.313 9.785 10.278 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.617 10.663 8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.947 12.833 10.014 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.098 13.220 8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.221 14.116 8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.353 12.539 7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.319 12.579 8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.237 11.769 9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.736 14.000 10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.898 14.754 9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.891 14.214 11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.623 13.304 10.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.497 12.574 11.659 1.00 0.00 H new ATOM 277 N ARG A 18 -0.225 9.711 7.383 1.00 0.00 N ATOM 278 CA ARG A 18 0.376 9.219 6.155 1.00 0.00 C ATOM 279 C ARG A 18 0.945 7.815 6.368 1.00 0.00 C ATOM 280 O ARG A 18 0.898 7.284 7.477 1.00 0.00 O ATOM 281 CB ARG A 18 1.494 10.149 5.679 1.00 0.00 C ATOM 282 CG ARG A 18 2.501 10.415 6.801 1.00 0.00 C ATOM 283 CD ARG A 18 3.922 10.534 6.246 1.00 0.00 C ATOM 284 NE ARG A 18 4.904 10.451 7.349 1.00 0.00 N ATOM 285 CZ ARG A 18 6.205 10.177 7.178 1.00 0.00 C ATOM 286 NH1 ARG A 18 6.723 10.133 5.943 1.00 0.00 N ATOM 287 NH2 ARG A 18 6.987 9.947 8.241 1.00 0.00 N ATOM 0 H ARG A 18 -0.072 9.119 8.199 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.403 9.187 5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.004 9.703 4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.067 11.092 5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.233 11.333 7.325 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.459 9.607 7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.107 9.739 5.523 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.037 11.480 5.716 1.00 0.00 H new ATOM 0 HE ARG A 18 4.570 10.612 8.299 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.127 10.308 5.134 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.713 9.925 5.812 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.593 9.980 9.181 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.977 9.739 8.110 1.00 0.00 H new ATOM 301 N LEU A 19 1.470 7.254 5.289 1.00 0.00 N ATOM 302 CA LEU A 19 2.206 6.004 5.378 1.00 0.00 C ATOM 303 C LEU A 19 3.427 6.199 6.278 1.00 0.00 C ATOM 304 O LEU A 19 3.782 7.329 6.612 1.00 0.00 O ATOM 305 CB LEU A 19 2.548 5.483 3.980 1.00 0.00 C ATOM 306 CG LEU A 19 1.395 4.850 3.199 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.819 4.521 1.766 1.00 0.00 C ATOM 308 CD2 LEU A 19 0.845 3.624 3.931 1.00 0.00 C ATOM 0 H LEU A 19 1.400 7.642 4.348 1.00 0.00 H new ATOM 0 HA LEU A 19 1.591 5.231 5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.947 6.310 3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.345 4.745 4.074 1.00 0.00 H new ATOM 0 HG LEU A 19 0.585 5.577 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.981 4.072 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.125 5.436 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.654 3.821 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.026 3.193 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.637 2.884 4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.480 3.921 4.914 1.00 0.00 H new ATOM 320 N PRO A 20 4.054 5.052 6.654 1.00 0.00 N ATOM 321 CA PRO A 20 5.408 5.077 7.179 1.00 0.00 C ATOM 322 C PRO A 20 6.426 5.307 6.060 1.00 0.00 C ATOM 323 O PRO A 20 6.104 5.156 4.883 1.00 0.00 O ATOM 324 CB PRO A 20 5.584 3.737 7.876 1.00 0.00 C ATOM 325 CG PRO A 20 4.496 2.832 7.320 1.00 0.00 C ATOM 326 CD PRO A 20 3.491 3.706 6.588 1.00 0.00 C ATOM 0 HA PRO A 20 5.574 5.899 7.876 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.573 3.323 7.682 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.489 3.843 8.957 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.924 2.093 6.643 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.009 2.282 8.125 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.361 3.381 5.556 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.510 3.663 7.061 1.00 0.00 H new ATOM 334 N ASP A 21 7.634 5.667 6.468 1.00 0.00 N ATOM 335 CA ASP A 21 8.614 6.191 5.532 1.00 0.00 C ATOM 336 C ASP A 21 9.444 5.035 4.970 1.00 0.00 C ATOM 337 O ASP A 21 10.392 5.256 4.217 1.00 0.00 O ATOM 338 CB ASP A 21 9.569 7.166 6.223 1.00 0.00 C ATOM 339 CG ASP A 21 10.123 8.275 5.326 1.00 0.00 C ATOM 340 OD1 ASP A 21 9.410 9.290 5.172 1.00 0.00 O ATOM 341 OD2 ASP A 21 11.247 8.082 4.814 1.00 0.00 O ATOM 0 H ASP A 21 7.956 5.606 7.434 1.00 0.00 H new ATOM 0 HA ASP A 21 8.078 6.712 4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.049 7.625 7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.405 6.601 6.635 1.00 0.00 H new ATOM 346 N ASN A 22 9.059 3.828 5.357 1.00 0.00 N ATOM 347 CA ASN A 22 9.728 2.636 4.866 1.00 0.00 C ATOM 348 C ASN A 22 9.247 2.335 3.445 1.00 0.00 C ATOM 349 O ASN A 22 9.871 1.555 2.727 1.00 0.00 O ATOM 350 CB ASN A 22 9.403 1.423 5.741 1.00 0.00 C ATOM 351 CG ASN A 22 7.917 1.068 5.658 1.00 0.00 C ATOM 352 OD1 ASN A 22 7.059 1.917 5.480 1.00 0.00 O ATOM 353 ND2 ASN A 22 7.662 -0.229 5.796 1.00 0.00 N ATOM 0 H ASN A 22 8.292 3.650 6.005 1.00 0.00 H new ATOM 0 HA ASN A 22 10.802 2.819 4.887 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.002 0.570 5.423 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.673 1.634 6.776 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.700 -0.567 5.755 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.428 -0.887 5.943 1.00 0.00 H new ATOM 360 N TYR A 23 8.143 2.970 3.081 1.00 0.00 N ATOM 361 CA TYR A 23 7.618 2.845 1.732 1.00 0.00 C ATOM 362 C TYR A 23 8.040 4.034 0.867 1.00 0.00 C ATOM 363 O TYR A 23 7.764 5.184 1.208 1.00 0.00 O ATOM 364 CB TYR A 23 6.094 2.846 1.871 1.00 0.00 C ATOM 365 CG TYR A 23 5.538 1.642 2.634 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.157 0.413 2.530 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.417 1.785 3.426 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.634 -0.720 3.248 1.00 0.00 C ATOM 369 CE2 TYR A 23 3.894 0.652 4.145 1.00 0.00 C ATOM 370 CZ TYR A 23 4.528 -0.544 4.020 1.00 0.00 C ATOM 371 OH TYR A 23 4.034 -1.614 4.698 1.00 0.00 O ATOM 0 H TYR A 23 7.597 3.573 3.697 1.00 0.00 H new ATOM 0 HA TYR A 23 7.994 1.939 1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.786 3.759 2.380 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.649 2.870 0.876 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.034 0.301 1.910 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.932 2.747 3.507 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.109 -1.687 3.175 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.018 0.750 4.769 1.00 0.00 H new ATOM 0 HH TYR A 23 3.611 -2.234 4.068 1.00 0.00 H new ATOM 381 N ILE A 24 8.702 3.718 -0.236 1.00 0.00 N ATOM 382 CA ILE A 24 8.887 4.687 -1.303 1.00 0.00 C ATOM 383 C ILE A 24 7.937 4.357 -2.456 1.00 0.00 C ATOM 384 O ILE A 24 7.336 3.284 -2.482 1.00 0.00 O ATOM 385 CB ILE A 24 10.358 4.753 -1.718 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.846 3.396 -2.227 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.226 5.283 -0.575 1.00 0.00 C ATOM 388 CD1 ILE A 24 12.161 3.539 -2.995 1.00 0.00 C ATOM 0 H ILE A 24 9.117 2.804 -0.414 1.00 0.00 H new ATOM 0 HA ILE A 24 8.632 5.689 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 24 10.449 5.457 -2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.984 2.716 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.089 2.953 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.267 5.320 -0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.895 6.285 -0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.135 4.622 0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.486 2.559 -3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.013 4.200 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.922 3.960 -2.338 1.00 0.00 H new ATOM 400 N THR A 25 7.831 5.300 -3.381 1.00 0.00 N ATOM 401 CA THR A 25 6.941 5.136 -4.518 1.00 0.00 C ATOM 402 C THR A 25 7.646 4.373 -5.641 1.00 0.00 C ATOM 403 O THR A 25 8.862 4.191 -5.605 1.00 0.00 O ATOM 404 CB THR A 25 6.451 6.523 -4.939 1.00 0.00 C ATOM 405 OG1 THR A 25 7.563 7.377 -4.681 1.00 0.00 O ATOM 406 CG2 THR A 25 5.349 7.058 -4.022 1.00 0.00 C ATOM 0 H THR A 25 8.347 6.180 -3.366 1.00 0.00 H new ATOM 0 HA THR A 25 6.071 4.534 -4.256 1.00 0.00 H new ATOM 0 HB THR A 25 6.082 6.482 -5.964 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.333 8.297 -4.927 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.037 8.045 -4.365 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.496 6.380 -4.044 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.728 7.131 -3.003 1.00 0.00 H new ATOM 414 N LYS A 26 6.852 3.948 -6.614 1.00 0.00 N ATOM 415 CA LYS A 26 7.394 3.275 -7.781 1.00 0.00 C ATOM 416 C LYS A 26 8.467 4.158 -8.422 1.00 0.00 C ATOM 417 O LYS A 26 9.541 3.676 -8.779 1.00 0.00 O ATOM 418 CB LYS A 26 6.270 2.879 -8.741 1.00 0.00 C ATOM 419 CG LYS A 26 5.431 1.738 -8.162 1.00 0.00 C ATOM 420 CD LYS A 26 4.155 1.526 -8.979 1.00 0.00 C ATOM 421 CE LYS A 26 4.467 0.857 -10.319 1.00 0.00 C ATOM 422 NZ LYS A 26 3.217 0.557 -11.052 1.00 0.00 N ATOM 0 H LYS A 26 5.838 4.057 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 26 7.879 2.343 -7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.632 3.741 -8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.694 2.574 -9.698 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.018 0.819 -8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.172 1.962 -7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.456 0.909 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.666 2.485 -9.152 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.100 1.510 -10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.027 -0.063 -10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.447 0.103 -11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.627 -0.084 -10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.698 1.441 -11.229 1.00 0.00 H new ATOM 436 N SER A 27 8.139 5.435 -8.548 1.00 0.00 N ATOM 437 CA SER A 27 8.993 6.359 -9.275 1.00 0.00 C ATOM 438 C SER A 27 10.387 6.390 -8.644 1.00 0.00 C ATOM 439 O SER A 27 11.388 6.499 -9.349 1.00 0.00 O ATOM 440 CB SER A 27 8.390 7.765 -9.298 1.00 0.00 C ATOM 441 OG SER A 27 7.066 7.770 -9.826 1.00 0.00 O ATOM 0 H SER A 27 7.293 5.852 -8.159 1.00 0.00 H new ATOM 0 HA SER A 27 9.074 6.011 -10.305 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.378 8.171 -8.286 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.022 8.421 -9.897 1.00 0.00 H new ATOM 0 HG SER A 27 6.716 8.685 -9.822 1.00 0.00 H new ATOM 447 N GLN A 28 10.406 6.292 -7.323 1.00 0.00 N ATOM 448 CA GLN A 28 11.649 6.415 -6.582 1.00 0.00 C ATOM 449 C GLN A 28 12.512 5.168 -6.781 1.00 0.00 C ATOM 450 O GLN A 28 13.709 5.273 -7.047 1.00 0.00 O ATOM 451 CB GLN A 28 11.379 6.663 -5.096 1.00 0.00 C ATOM 452 CG GLN A 28 10.758 8.044 -4.875 1.00 0.00 C ATOM 453 CD GLN A 28 11.829 9.136 -4.897 1.00 0.00 C ATOM 454 OE1 GLN A 28 12.976 8.910 -5.245 1.00 0.00 O ATOM 455 NE2 GLN A 28 11.392 10.330 -4.506 1.00 0.00 N ATOM 0 H GLN A 28 9.580 6.129 -6.747 1.00 0.00 H new ATOM 0 HA GLN A 28 12.195 7.276 -6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.710 5.894 -4.711 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.311 6.585 -4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.016 8.241 -5.649 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.234 8.063 -3.919 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.418 10.451 -4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.031 11.125 -4.485 1.00 0.00 H new ATOM 464 N ALA A 29 11.872 4.016 -6.646 1.00 0.00 N ATOM 465 CA ALA A 29 12.555 2.751 -6.857 1.00 0.00 C ATOM 466 C ALA A 29 13.106 2.706 -8.284 1.00 0.00 C ATOM 467 O ALA A 29 14.229 2.254 -8.505 1.00 0.00 O ATOM 468 CB ALA A 29 11.593 1.597 -6.568 1.00 0.00 C ATOM 0 H ALA A 29 10.887 3.932 -6.393 1.00 0.00 H new ATOM 0 HA ALA A 29 13.399 2.652 -6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.105 0.648 -6.726 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.252 1.658 -5.534 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.735 1.662 -7.237 1.00 0.00 H new ATOM 474 N SER A 30 12.292 3.181 -9.214 1.00 0.00 N ATOM 475 CA SER A 30 12.616 3.061 -10.625 1.00 0.00 C ATOM 476 C SER A 30 13.816 3.948 -10.964 1.00 0.00 C ATOM 477 O SER A 30 14.684 3.555 -11.742 1.00 0.00 O ATOM 478 CB SER A 30 11.417 3.432 -11.500 1.00 0.00 C ATOM 479 OG SER A 30 10.690 2.283 -11.925 1.00 0.00 O ATOM 0 H SER A 30 11.408 3.650 -9.018 1.00 0.00 H new ATOM 0 HA SER A 30 12.872 2.021 -10.829 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.754 4.095 -10.944 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.763 3.985 -12.373 1.00 0.00 H new ATOM 0 HG SER A 30 9.932 2.562 -12.480 1.00 0.00 H new ATOM 485 N ALA A 31 13.826 5.129 -10.364 1.00 0.00 N ATOM 486 CA ALA A 31 14.931 6.054 -10.550 1.00 0.00 C ATOM 487 C ALA A 31 16.236 5.375 -10.131 1.00 0.00 C ATOM 488 O ALA A 31 17.272 5.568 -10.765 1.00 0.00 O ATOM 489 CB ALA A 31 14.662 7.337 -9.761 1.00 0.00 C ATOM 0 H ALA A 31 13.086 5.467 -9.748 1.00 0.00 H new ATOM 0 HA ALA A 31 15.026 6.331 -11.600 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.491 8.031 -9.901 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.740 7.797 -10.117 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.563 7.099 -8.702 1.00 0.00 H new ATOM 495 N LEU A 32 16.142 4.592 -9.066 1.00 0.00 N ATOM 496 CA LEU A 32 17.312 3.922 -8.525 1.00 0.00 C ATOM 497 C LEU A 32 17.690 2.751 -9.435 1.00 0.00 C ATOM 498 O LEU A 32 18.822 2.270 -9.396 1.00 0.00 O ATOM 499 CB LEU A 32 17.073 3.516 -7.069 1.00 0.00 C ATOM 500 CG LEU A 32 16.893 4.665 -6.074 1.00 0.00 C ATOM 501 CD1 LEU A 32 16.245 4.172 -4.779 1.00 0.00 C ATOM 502 CD2 LEU A 32 18.221 5.378 -5.815 1.00 0.00 C ATOM 0 H LEU A 32 15.274 4.407 -8.564 1.00 0.00 H new ATOM 0 HA LEU A 32 18.164 4.601 -8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.185 2.885 -7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.914 2.905 -6.740 1.00 0.00 H new ATOM 0 HG LEU A 32 16.215 5.396 -6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.128 5.008 -4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.267 3.746 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.877 3.411 -4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.065 6.190 -5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.940 4.669 -5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.605 5.783 -6.751 1.00 0.00 H new ATOM 514 N GLY A 33 16.721 2.326 -10.232 1.00 0.00 N ATOM 515 CA GLY A 33 16.998 1.407 -11.323 1.00 0.00 C ATOM 516 C GLY A 33 16.310 0.060 -11.094 1.00 0.00 C ATOM 517 O GLY A 33 16.640 -0.928 -11.747 1.00 0.00 O ATOM 0 H GLY A 33 15.743 2.601 -10.144 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.655 1.839 -12.263 1.00 0.00 H new ATOM 0 HA3 GLY A 33 18.074 1.259 -11.414 1.00 0.00 H new ATOM 521 N TRP A 34 15.366 0.065 -10.164 1.00 0.00 N ATOM 522 CA TRP A 34 14.473 -1.069 -9.999 1.00 0.00 C ATOM 523 C TRP A 34 13.652 -1.215 -11.281 1.00 0.00 C ATOM 524 O TRP A 34 13.283 -0.219 -11.902 1.00 0.00 O ATOM 525 CB TRP A 34 13.606 -0.907 -8.748 1.00 0.00 C ATOM 526 CG TRP A 34 12.380 -1.822 -8.718 1.00 0.00 C ATOM 527 CD1 TRP A 34 12.345 -3.149 -8.535 1.00 0.00 C ATOM 528 CD2 TRP A 34 11.004 -1.420 -8.884 1.00 0.00 C ATOM 529 NE1 TRP A 34 11.052 -3.630 -8.571 1.00 0.00 N ATOM 530 CE2 TRP A 34 10.211 -2.546 -8.789 1.00 0.00 C ATOM 531 CE3 TRP A 34 10.448 -0.148 -9.106 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.816 -2.512 -8.905 1.00 0.00 C ATOM 533 CZ3 TRP A 34 9.052 -0.132 -9.220 1.00 0.00 C ATOM 534 CH2 TRP A 34 8.240 -1.256 -9.127 1.00 0.00 C ATOM 0 H TRP A 34 15.200 0.836 -9.517 1.00 0.00 H new ATOM 0 HA TRP A 34 15.040 -1.987 -9.843 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.216 -1.106 -7.867 1.00 0.00 H new ATOM 0 HB3 TRP A 34 13.275 0.129 -8.679 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.219 -3.765 -8.379 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.766 -4.603 -8.458 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.049 0.746 -9.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 8.217 -3.407 -8.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.573 0.821 -9.392 1.00 0.00 H new ATOM 0 HH2 TRP A 34 7.169 -1.161 -9.226 1.00 0.00 H new ATOM 545 N VAL A 35 13.388 -2.463 -11.639 1.00 0.00 N ATOM 546 CA VAL A 35 12.426 -2.753 -12.688 1.00 0.00 C ATOM 547 C VAL A 35 11.441 -3.814 -12.191 1.00 0.00 C ATOM 548 O VAL A 35 11.829 -4.744 -11.485 1.00 0.00 O ATOM 549 CB VAL A 35 13.155 -3.167 -13.968 1.00 0.00 C ATOM 550 CG1 VAL A 35 12.199 -3.189 -15.161 1.00 0.00 C ATOM 551 CG2 VAL A 35 14.350 -2.251 -14.238 1.00 0.00 C ATOM 0 H VAL A 35 13.824 -3.285 -11.221 1.00 0.00 H new ATOM 0 HA VAL A 35 11.848 -1.862 -12.933 1.00 0.00 H new ATOM 0 HB VAL A 35 13.534 -4.179 -13.826 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.743 -3.486 -16.058 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.396 -3.901 -14.971 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.776 -2.195 -15.306 1.00 0.00 H new ATOM 0 HG21 VAL A 35 14.851 -2.567 -15.153 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.003 -1.224 -14.350 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.049 -2.309 -13.403 1.00 0.00 H new ATOM 561 N ALA A 36 10.187 -3.639 -12.580 1.00 0.00 N ATOM 562 CA ALA A 36 9.141 -4.562 -12.171 1.00 0.00 C ATOM 563 C ALA A 36 9.138 -5.770 -13.111 1.00 0.00 C ATOM 564 O ALA A 36 8.139 -6.040 -13.777 1.00 0.00 O ATOM 565 CB ALA A 36 7.796 -3.834 -12.152 1.00 0.00 C ATOM 0 H ALA A 36 9.871 -2.872 -13.174 1.00 0.00 H new ATOM 0 HA ALA A 36 9.326 -4.930 -11.162 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.012 -4.526 -11.845 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.842 -3.003 -11.448 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.574 -3.453 -13.149 1.00 0.00 H new ATOM 571 N SER A 37 10.266 -6.464 -13.136 1.00 0.00 N ATOM 572 CA SER A 37 10.461 -7.542 -14.090 1.00 0.00 C ATOM 573 C SER A 37 11.796 -8.241 -13.825 1.00 0.00 C ATOM 574 O SER A 37 11.852 -9.466 -13.737 1.00 0.00 O ATOM 575 CB SER A 37 10.411 -7.020 -15.528 1.00 0.00 C ATOM 576 OG SER A 37 10.802 -8.015 -16.470 1.00 0.00 O ATOM 0 H SER A 37 11.055 -6.301 -12.510 1.00 0.00 H new ATOM 0 HA SER A 37 9.651 -8.261 -13.964 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.400 -6.682 -15.756 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.066 -6.154 -15.622 1.00 0.00 H new ATOM 0 HG SER A 37 10.756 -7.644 -17.376 1.00 0.00 H new ATOM 582 N LYS A 38 12.837 -7.431 -13.705 1.00 0.00 N ATOM 583 CA LYS A 38 14.171 -7.958 -13.471 1.00 0.00 C ATOM 584 C LYS A 38 14.892 -7.074 -12.451 1.00 0.00 C ATOM 585 O LYS A 38 14.630 -5.875 -12.369 1.00 0.00 O ATOM 586 CB LYS A 38 14.926 -8.112 -14.793 1.00 0.00 C ATOM 587 CG LYS A 38 15.056 -6.767 -15.511 1.00 0.00 C ATOM 588 CD LYS A 38 15.843 -6.915 -16.814 1.00 0.00 C ATOM 589 CE LYS A 38 14.960 -7.483 -17.927 1.00 0.00 C ATOM 590 NZ LYS A 38 15.709 -7.545 -19.202 1.00 0.00 N ATOM 0 H LYS A 38 12.784 -6.414 -13.765 1.00 0.00 H new ATOM 0 HA LYS A 38 14.115 -8.959 -13.044 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.917 -8.524 -14.604 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.403 -8.821 -15.434 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.065 -6.367 -15.724 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.556 -6.050 -14.860 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.237 -5.945 -17.117 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.699 -7.571 -16.654 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.615 -8.480 -17.652 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.073 -6.861 -18.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.095 -7.933 -19.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.017 -6.589 -19.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.542 -8.157 -19.086 1.00 0.00 H new ATOM 604 N GLY A 39 15.785 -7.700 -11.699 1.00 0.00 N ATOM 605 CA GLY A 39 16.436 -7.024 -10.590 1.00 0.00 C ATOM 606 C GLY A 39 15.446 -6.754 -9.455 1.00 0.00 C ATOM 607 O GLY A 39 14.688 -5.787 -9.504 1.00 0.00 O ATOM 0 H GLY A 39 16.073 -8.669 -11.836 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.260 -7.634 -10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 39 16.865 -6.083 -10.934 1.00 0.00 H new ATOM 611 N ASN A 40 15.486 -7.627 -8.458 1.00 0.00 N ATOM 612 CA ASN A 40 14.531 -7.558 -7.365 1.00 0.00 C ATOM 613 C ASN A 40 14.727 -6.246 -6.604 1.00 0.00 C ATOM 614 O ASN A 40 15.750 -5.581 -6.759 1.00 0.00 O ATOM 615 CB ASN A 40 14.737 -8.711 -6.381 1.00 0.00 C ATOM 616 CG ASN A 40 16.140 -8.667 -5.771 1.00 0.00 C ATOM 617 OD1 ASN A 40 17.129 -9.002 -6.402 1.00 0.00 O ATOM 618 ND2 ASN A 40 16.171 -8.236 -4.514 1.00 0.00 N ATOM 0 H ASN A 40 16.164 -8.385 -8.385 1.00 0.00 H new ATOM 0 HA ASN A 40 13.529 -7.620 -7.788 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.990 -8.656 -5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.589 -9.662 -6.893 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.061 -8.170 -4.019 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.305 -7.971 -4.044 1.00 0.00 H new ATOM 625 N LEU A 41 13.729 -5.911 -5.799 1.00 0.00 N ATOM 626 CA LEU A 41 13.641 -4.576 -5.232 1.00 0.00 C ATOM 627 C LEU A 41 14.819 -4.352 -4.282 1.00 0.00 C ATOM 628 O LEU A 41 15.622 -3.444 -4.487 1.00 0.00 O ATOM 629 CB LEU A 41 12.274 -4.361 -4.578 1.00 0.00 C ATOM 630 CG LEU A 41 11.910 -2.913 -4.245 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.839 -2.060 -5.513 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.614 -2.846 -3.435 1.00 0.00 C ATOM 0 H LEU A 41 12.975 -6.541 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 41 13.716 -3.823 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.509 -4.764 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.238 -4.945 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 41 12.701 -2.497 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.579 -1.035 -5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.807 -2.070 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.080 -2.466 -6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.378 -1.806 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.801 -3.287 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.738 -3.398 -2.503 1.00 0.00 H new ATOM 644 N ALA A 42 14.884 -5.195 -3.262 1.00 0.00 N ATOM 645 CA ALA A 42 15.798 -4.962 -2.156 1.00 0.00 C ATOM 646 C ALA A 42 17.204 -4.718 -2.705 1.00 0.00 C ATOM 647 O ALA A 42 17.991 -3.987 -2.104 1.00 0.00 O ATOM 648 CB ALA A 42 15.746 -6.150 -1.192 1.00 0.00 C ATOM 0 H ALA A 42 14.319 -6.040 -3.178 1.00 0.00 H new ATOM 0 HA ALA A 42 15.505 -4.074 -1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.431 -5.976 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.732 -6.263 -0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 42 16.037 -7.059 -1.719 1.00 0.00 H new ATOM 654 N GLU A 43 17.479 -5.342 -3.841 1.00 0.00 N ATOM 655 CA GLU A 43 18.798 -5.256 -4.443 1.00 0.00 C ATOM 656 C GLU A 43 19.157 -3.796 -4.728 1.00 0.00 C ATOM 657 O GLU A 43 20.249 -3.343 -4.389 1.00 0.00 O ATOM 658 CB GLU A 43 18.876 -6.098 -5.717 1.00 0.00 C ATOM 659 CG GLU A 43 20.284 -6.061 -6.315 1.00 0.00 C ATOM 660 CD GLU A 43 20.390 -6.988 -7.528 1.00 0.00 C ATOM 661 OE1 GLU A 43 19.948 -6.554 -8.613 1.00 0.00 O ATOM 662 OE2 GLU A 43 20.910 -8.109 -7.342 1.00 0.00 O ATOM 0 H GLU A 43 16.810 -5.910 -4.361 1.00 0.00 H new ATOM 0 HA GLU A 43 19.525 -5.658 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.599 -7.128 -5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 43 18.157 -5.726 -6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.531 -5.041 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.011 -6.360 -5.560 1.00 0.00 H new ATOM 669 N VAL A 44 18.216 -3.099 -5.349 1.00 0.00 N ATOM 670 CA VAL A 44 18.494 -1.778 -5.886 1.00 0.00 C ATOM 671 C VAL A 44 18.120 -0.720 -4.847 1.00 0.00 C ATOM 672 O VAL A 44 18.786 0.308 -4.734 1.00 0.00 O ATOM 673 CB VAL A 44 17.766 -1.592 -7.219 1.00 0.00 C ATOM 674 CG1 VAL A 44 18.017 -0.194 -7.789 1.00 0.00 C ATOM 675 CG2 VAL A 44 18.172 -2.674 -8.222 1.00 0.00 C ATOM 0 H VAL A 44 17.260 -3.425 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 44 19.558 -1.666 -6.094 1.00 0.00 H new ATOM 0 HB VAL A 44 16.697 -1.692 -7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 44 17.489 -0.087 -8.736 1.00 0.00 H new ATOM 0 HG12 VAL A 44 17.656 0.556 -7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 44 19.086 -0.054 -7.952 1.00 0.00 H new ATOM 0 HG21 VAL A 44 17.640 -2.518 -9.161 1.00 0.00 H new ATOM 0 HG22 VAL A 44 19.246 -2.620 -8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 44 17.920 -3.655 -7.821 1.00 0.00 H new ATOM 685 N ALA A 45 17.054 -1.008 -4.114 1.00 0.00 N ATOM 686 CA ALA A 45 16.587 -0.097 -3.083 1.00 0.00 C ATOM 687 C ALA A 45 16.282 -0.888 -1.809 1.00 0.00 C ATOM 688 O ALA A 45 15.144 -1.300 -1.588 1.00 0.00 O ATOM 689 CB ALA A 45 15.369 0.674 -3.596 1.00 0.00 C ATOM 0 H ALA A 45 16.501 -1.859 -4.214 1.00 0.00 H new ATOM 0 HA ALA A 45 17.358 0.635 -2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.019 1.357 -2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.646 1.242 -4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.574 -0.028 -3.847 1.00 0.00 H new ATOM 695 N PRO A 46 17.346 -1.083 -0.984 1.00 0.00 N ATOM 696 CA PRO A 46 17.236 -1.929 0.192 1.00 0.00 C ATOM 697 C PRO A 46 16.458 -1.223 1.304 1.00 0.00 C ATOM 698 O PRO A 46 16.414 0.005 1.353 1.00 0.00 O ATOM 699 CB PRO A 46 18.670 -2.249 0.581 1.00 0.00 C ATOM 700 CG PRO A 46 19.532 -1.202 -0.104 1.00 0.00 C ATOM 701 CD PRO A 46 18.676 -0.504 -1.149 1.00 0.00 C ATOM 0 HA PRO A 46 16.675 -2.844 0.002 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.798 -2.213 1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.947 -3.253 0.260 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.909 -0.483 0.623 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.400 -1.668 -0.571 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.661 0.575 -0.992 1.00 0.00 H new ATOM 0 HD3 PRO A 46 19.061 -0.675 -2.155 1.00 0.00 H new ATOM 709 N GLY A 47 15.864 -2.030 2.171 1.00 0.00 N ATOM 710 CA GLY A 47 15.189 -1.501 3.344 1.00 0.00 C ATOM 711 C GLY A 47 13.814 -0.939 2.978 1.00 0.00 C ATOM 712 O GLY A 47 13.099 -0.429 3.839 1.00 0.00 O ATOM 0 H GLY A 47 15.836 -3.046 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.077 -2.288 4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.798 -0.718 3.796 1.00 0.00 H new ATOM 716 N LYS A 48 13.484 -1.053 1.700 1.00 0.00 N ATOM 717 CA LYS A 48 12.429 -0.237 1.124 1.00 0.00 C ATOM 718 C LYS A 48 11.430 -1.140 0.399 1.00 0.00 C ATOM 719 O LYS A 48 11.819 -2.117 -0.239 1.00 0.00 O ATOM 720 CB LYS A 48 13.023 0.859 0.237 1.00 0.00 C ATOM 721 CG LYS A 48 12.723 2.248 0.805 1.00 0.00 C ATOM 722 CD LYS A 48 13.528 2.503 2.082 1.00 0.00 C ATOM 723 CE LYS A 48 13.350 3.944 2.563 1.00 0.00 C ATOM 724 NZ LYS A 48 14.009 4.138 3.874 1.00 0.00 N ATOM 0 H LYS A 48 13.929 -1.698 1.047 1.00 0.00 H new ATOM 0 HA LYS A 48 11.879 0.283 1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 48 14.101 0.721 0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.614 0.778 -0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.962 3.008 0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.658 2.335 1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.207 1.813 2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.584 2.306 1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.773 4.633 1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.289 4.178 2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.879 5.121 4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.587 3.494 4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.025 3.935 3.785 1.00 0.00 H new ATOM 738 N SER A 49 10.160 -0.782 0.522 1.00 0.00 N ATOM 739 CA SER A 49 9.124 -1.410 -0.281 1.00 0.00 C ATOM 740 C SER A 49 8.363 -0.347 -1.076 1.00 0.00 C ATOM 741 O SER A 49 8.624 0.847 -0.932 1.00 0.00 O ATOM 742 CB SER A 49 8.158 -2.211 0.594 1.00 0.00 C ATOM 743 OG SER A 49 8.795 -2.725 1.760 1.00 0.00 O ATOM 0 H SER A 49 9.825 -0.065 1.166 1.00 0.00 H new ATOM 0 HA SER A 49 9.601 -2.102 -0.975 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.323 -1.575 0.888 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.743 -3.035 0.015 1.00 0.00 H new ATOM 0 HG SER A 49 8.145 -3.229 2.293 1.00 0.00 H new ATOM 749 N ILE A 50 7.438 -0.819 -1.899 1.00 0.00 N ATOM 750 CA ILE A 50 6.586 0.078 -2.660 1.00 0.00 C ATOM 751 C ILE A 50 5.339 0.411 -1.838 1.00 0.00 C ATOM 752 O ILE A 50 4.715 -0.478 -1.261 1.00 0.00 O ATOM 753 CB ILE A 50 6.274 -0.516 -4.035 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.559 -0.917 -4.763 1.00 0.00 C ATOM 755 CG2 ILE A 50 5.419 0.442 -4.866 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.527 0.265 -4.857 1.00 0.00 C ATOM 0 H ILE A 50 7.260 -1.811 -2.055 1.00 0.00 H new ATOM 0 HA ILE A 50 7.102 1.018 -2.854 1.00 0.00 H new ATOM 0 HB ILE A 50 5.689 -1.424 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.037 -1.743 -4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.318 -1.275 -5.764 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.212 -0.005 -5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.480 0.634 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.955 1.381 -5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.432 -0.046 -5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.054 1.080 -5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.785 0.605 -3.854 1.00 0.00 H new ATOM 768 N GLY A 51 5.013 1.695 -1.810 1.00 0.00 N ATOM 769 CA GLY A 51 3.761 2.137 -1.221 1.00 0.00 C ATOM 770 C GLY A 51 3.520 3.623 -1.493 1.00 0.00 C ATOM 771 O GLY A 51 4.441 4.345 -1.873 1.00 0.00 O ATOM 0 H GLY A 51 5.595 2.444 -2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.937 1.551 -1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.778 1.959 -0.146 1.00 0.00 H new ATOM 775 N GLY A 52 2.278 4.036 -1.289 1.00 0.00 N ATOM 776 CA GLY A 52 1.906 5.424 -1.505 1.00 0.00 C ATOM 777 C GLY A 52 1.525 5.669 -2.966 1.00 0.00 C ATOM 778 O GLY A 52 1.324 6.811 -3.376 1.00 0.00 O ATOM 0 H GLY A 52 1.516 3.434 -0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.068 5.684 -0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.736 6.074 -1.228 1.00 0.00 H new ATOM 782 N ASP A 53 1.439 4.578 -3.713 1.00 0.00 N ATOM 783 CA ASP A 53 1.084 4.660 -5.119 1.00 0.00 C ATOM 784 C ASP A 53 -0.420 4.427 -5.276 1.00 0.00 C ATOM 785 O ASP A 53 -1.032 3.733 -4.465 1.00 0.00 O ATOM 786 CB ASP A 53 1.815 3.591 -5.935 1.00 0.00 C ATOM 787 CG ASP A 53 3.341 3.643 -5.848 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.873 3.091 -4.861 1.00 0.00 O ATOM 789 OD2 ASP A 53 3.942 4.233 -6.772 1.00 0.00 O ATOM 0 H ASP A 53 1.609 3.632 -3.371 1.00 0.00 H new ATOM 0 HA ASP A 53 1.368 5.648 -5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.480 2.609 -5.602 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.522 3.690 -6.980 1.00 0.00 H new ATOM 794 N VAL A 54 -0.973 5.021 -6.323 1.00 0.00 N ATOM 795 CA VAL A 54 -2.417 5.092 -6.468 1.00 0.00 C ATOM 796 C VAL A 54 -2.936 3.763 -7.020 1.00 0.00 C ATOM 797 O VAL A 54 -2.316 3.168 -7.899 1.00 0.00 O ATOM 798 CB VAL A 54 -2.797 6.291 -7.339 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.317 6.434 -7.442 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.160 7.577 -6.811 1.00 0.00 C ATOM 0 H VAL A 54 -0.447 5.458 -7.080 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.891 5.248 -5.499 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.408 6.113 -8.342 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.560 7.294 -8.066 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.738 5.532 -7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.737 6.578 -6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.447 8.413 -7.449 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.504 7.762 -5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.075 7.473 -6.814 1.00 0.00 H new ATOM 810 N PHE A 55 -4.068 3.336 -6.480 1.00 0.00 N ATOM 811 CA PHE A 55 -4.719 2.130 -6.961 1.00 0.00 C ATOM 812 C PHE A 55 -6.131 2.433 -7.467 1.00 0.00 C ATOM 813 O PHE A 55 -6.843 3.245 -6.880 1.00 0.00 O ATOM 814 CB PHE A 55 -4.810 1.167 -5.775 1.00 0.00 C ATOM 815 CG PHE A 55 -6.122 0.382 -5.712 1.00 0.00 C ATOM 816 CD1 PHE A 55 -7.212 0.926 -5.108 1.00 0.00 C ATOM 817 CD2 PHE A 55 -6.197 -0.861 -6.259 1.00 0.00 C ATOM 818 CE1 PHE A 55 -8.429 0.197 -5.048 1.00 0.00 C ATOM 819 CE2 PHE A 55 -7.414 -1.590 -6.199 1.00 0.00 C ATOM 820 CZ PHE A 55 -8.505 -1.046 -5.596 1.00 0.00 C ATOM 0 H PHE A 55 -4.551 3.804 -5.713 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.150 1.705 -7.788 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.979 0.463 -5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.692 1.732 -4.851 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.152 1.913 -4.674 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.331 -1.293 -6.739 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.294 0.629 -4.567 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.473 -2.577 -6.633 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.431 -1.600 -5.552 1.00 0.00 H new ATOM 830 N SER A 56 -6.492 1.763 -8.552 1.00 0.00 N ATOM 831 CA SER A 56 -7.746 2.054 -9.227 1.00 0.00 C ATOM 832 C SER A 56 -8.887 1.273 -8.573 1.00 0.00 C ATOM 833 O SER A 56 -9.013 0.066 -8.776 1.00 0.00 O ATOM 834 CB SER A 56 -7.659 1.719 -10.718 1.00 0.00 C ATOM 835 OG SER A 56 -7.294 0.359 -10.938 1.00 0.00 O ATOM 0 H SER A 56 -5.939 1.020 -8.980 1.00 0.00 H new ATOM 0 HA SER A 56 -7.945 3.121 -9.133 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.621 1.918 -11.191 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.928 2.372 -11.195 1.00 0.00 H new ATOM 0 HG SER A 56 -7.735 -0.210 -10.273 1.00 0.00 H new ATOM 841 N ASN A 57 -9.688 1.992 -7.801 1.00 0.00 N ATOM 842 CA ASN A 57 -10.885 1.411 -7.218 1.00 0.00 C ATOM 843 C ASN A 57 -11.949 1.247 -8.306 1.00 0.00 C ATOM 844 O ASN A 57 -12.358 0.129 -8.616 1.00 0.00 O ATOM 845 CB ASN A 57 -11.461 2.315 -6.127 1.00 0.00 C ATOM 846 CG ASN A 57 -12.709 1.691 -5.499 1.00 0.00 C ATOM 847 OD1 ASN A 57 -12.907 0.487 -5.514 1.00 0.00 O ATOM 848 ND2 ASN A 57 -13.536 2.574 -4.948 1.00 0.00 N ATOM 0 H ASN A 57 -9.531 2.972 -7.566 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.615 0.448 -6.784 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.709 2.486 -5.357 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.710 3.288 -6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.397 2.257 -4.503 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.309 3.568 -4.971 1.00 0.00 H new ATOM 855 N ARG A 58 -12.367 2.378 -8.856 1.00 0.00 N ATOM 856 CA ARG A 58 -13.441 2.383 -9.833 1.00 0.00 C ATOM 857 C ARG A 58 -14.606 1.519 -9.346 1.00 0.00 C ATOM 858 O ARG A 58 -15.107 0.673 -10.085 1.00 0.00 O ATOM 859 CB ARG A 58 -12.957 1.859 -11.187 1.00 0.00 C ATOM 860 CG ARG A 58 -13.867 2.339 -12.319 1.00 0.00 C ATOM 861 CD ARG A 58 -13.432 1.749 -13.661 1.00 0.00 C ATOM 862 NE ARG A 58 -14.336 2.215 -14.736 1.00 0.00 N ATOM 863 CZ ARG A 58 -14.218 1.860 -16.023 1.00 0.00 C ATOM 864 NH1 ARG A 58 -13.231 1.038 -16.404 1.00 0.00 N ATOM 865 NH2 ARG A 58 -15.087 2.327 -16.929 1.00 0.00 N ATOM 0 H ARG A 58 -11.980 3.298 -8.643 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.774 3.414 -9.954 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.937 2.197 -11.368 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -12.934 0.769 -11.172 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.897 2.052 -12.109 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.844 3.427 -12.372 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.407 2.046 -13.883 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.445 0.660 -13.610 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.096 2.846 -14.482 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.569 0.682 -15.714 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.142 0.768 -17.384 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.839 2.953 -16.639 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.997 2.057 -17.908 1.00 0.00 H new ATOM 879 N GLU A 59 -15.003 1.761 -8.105 1.00 0.00 N ATOM 880 CA GLU A 59 -16.084 1.000 -7.503 1.00 0.00 C ATOM 881 C GLU A 59 -15.803 -0.500 -7.613 1.00 0.00 C ATOM 882 O GLU A 59 -16.700 -1.282 -7.924 1.00 0.00 O ATOM 883 CB GLU A 59 -17.427 1.355 -8.144 1.00 0.00 C ATOM 884 CG GLU A 59 -17.696 2.859 -8.058 1.00 0.00 C ATOM 885 CD GLU A 59 -19.103 3.194 -8.557 1.00 0.00 C ATOM 886 OE1 GLU A 59 -19.300 3.122 -9.789 1.00 0.00 O ATOM 887 OE2 GLU A 59 -19.950 3.513 -7.695 1.00 0.00 O ATOM 0 H GLU A 59 -14.595 2.474 -7.500 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.142 1.262 -6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.430 1.041 -9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -18.228 0.810 -7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -17.583 3.194 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.958 3.399 -8.651 1.00 0.00 H new ATOM 894 N GLY A 60 -14.554 -0.856 -7.352 1.00 0.00 N ATOM 895 CA GLY A 60 -14.133 -2.242 -7.460 1.00 0.00 C ATOM 896 C GLY A 60 -14.077 -2.908 -6.084 1.00 0.00 C ATOM 897 O GLY A 60 -13.010 -3.319 -5.632 1.00 0.00 O ATOM 0 H GLY A 60 -13.820 -0.208 -7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.824 -2.786 -8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.152 -2.292 -7.932 1.00 0.00 H new ATOM 901 N ARG A 61 -15.241 -2.994 -5.456 1.00 0.00 N ATOM 902 CA ARG A 61 -15.385 -3.798 -4.254 1.00 0.00 C ATOM 903 C ARG A 61 -14.968 -2.991 -3.023 1.00 0.00 C ATOM 904 O ARG A 61 -15.119 -3.454 -1.893 1.00 0.00 O ATOM 905 CB ARG A 61 -14.535 -5.067 -4.335 1.00 0.00 C ATOM 906 CG ARG A 61 -15.152 -6.194 -3.505 1.00 0.00 C ATOM 907 CD ARG A 61 -16.197 -6.964 -4.316 1.00 0.00 C ATOM 908 NE ARG A 61 -16.745 -8.077 -3.508 1.00 0.00 N ATOM 909 CZ ARG A 61 -17.656 -8.952 -3.956 1.00 0.00 C ATOM 910 NH1 ARG A 61 -18.141 -8.837 -5.199 1.00 0.00 N ATOM 911 NH2 ARG A 61 -18.081 -9.943 -3.159 1.00 0.00 N ATOM 0 H ARG A 61 -16.093 -2.520 -5.757 1.00 0.00 H new ATOM 0 HA ARG A 61 -16.434 -4.082 -4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.445 -5.383 -5.374 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.527 -4.857 -3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.369 -6.876 -3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.615 -5.779 -2.609 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.001 -6.293 -4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.746 -7.354 -5.229 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.408 -8.185 -2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.817 -8.083 -5.805 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.834 -9.503 -5.540 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.711 -10.031 -2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.774 -10.609 -3.499 1.00 0.00 H new ATOM 925 N LEU A 62 -14.452 -1.799 -3.282 1.00 0.00 N ATOM 926 CA LEU A 62 -14.438 -0.753 -2.274 1.00 0.00 C ATOM 927 C LEU A 62 -15.414 0.353 -2.679 1.00 0.00 C ATOM 928 O LEU A 62 -15.704 0.528 -3.862 1.00 0.00 O ATOM 929 CB LEU A 62 -13.010 -0.257 -2.036 1.00 0.00 C ATOM 930 CG LEU A 62 -11.960 -1.337 -1.770 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.565 -0.858 -2.176 1.00 0.00 C ATOM 932 CD2 LEU A 62 -12.005 -1.799 -0.312 1.00 0.00 C ATOM 0 H LEU A 62 -14.040 -1.534 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.779 -1.144 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.697 0.319 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.021 0.428 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.196 -2.202 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.838 -1.645 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.558 -0.618 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.304 0.031 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.248 -2.567 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.808 -0.951 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -12.991 -2.208 -0.090 1.00 0.00 H new ATOM 944 N PRO A 63 -15.907 1.091 -1.648 1.00 0.00 N ATOM 945 CA PRO A 63 -16.898 2.129 -1.877 1.00 0.00 C ATOM 946 C PRO A 63 -16.257 3.369 -2.504 1.00 0.00 C ATOM 947 O PRO A 63 -15.034 3.461 -2.596 1.00 0.00 O ATOM 948 CB PRO A 63 -17.506 2.400 -0.511 1.00 0.00 C ATOM 949 CG PRO A 63 -16.519 1.844 0.502 1.00 0.00 C ATOM 950 CD PRO A 63 -15.536 0.956 -0.243 1.00 0.00 C ATOM 0 HA PRO A 63 -17.668 1.828 -2.587 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.663 3.468 -0.358 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.479 1.918 -0.414 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.994 2.654 1.008 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.041 1.274 1.271 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.507 1.274 -0.073 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.609 -0.080 0.088 1.00 0.00 H new ATOM 958 N SER A 64 -17.112 4.292 -2.919 1.00 0.00 N ATOM 959 CA SER A 64 -16.702 5.677 -3.074 1.00 0.00 C ATOM 960 C SER A 64 -15.804 5.821 -4.304 1.00 0.00 C ATOM 961 O SER A 64 -14.744 5.201 -4.380 1.00 0.00 O ATOM 962 CB SER A 64 -15.975 6.180 -1.825 1.00 0.00 C ATOM 963 OG SER A 64 -16.694 5.878 -0.632 1.00 0.00 O ATOM 0 H SER A 64 -18.088 4.108 -3.153 1.00 0.00 H new ATOM 0 HA SER A 64 -17.596 6.285 -3.210 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.984 5.728 -1.775 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.831 7.258 -1.899 1.00 0.00 H new ATOM 0 HG SER A 64 -16.063 5.756 0.108 1.00 0.00 H new ATOM 969 N ALA A 65 -16.260 6.644 -5.237 1.00 0.00 N ATOM 970 CA ALA A 65 -15.489 6.914 -6.439 1.00 0.00 C ATOM 971 C ALA A 65 -15.875 8.288 -6.990 1.00 0.00 C ATOM 972 O ALA A 65 -16.762 8.950 -6.452 1.00 0.00 O ATOM 973 CB ALA A 65 -15.719 5.793 -7.455 1.00 0.00 C ATOM 0 H ALA A 65 -17.154 7.133 -5.185 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.423 6.937 -6.214 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.141 5.995 -8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.402 4.842 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.778 5.742 -7.707 1.00 0.00 H new ATOM 979 N SER A 66 -15.190 8.677 -8.056 1.00 0.00 N ATOM 980 CA SER A 66 -15.477 9.942 -8.709 1.00 0.00 C ATOM 981 C SER A 66 -15.336 11.091 -7.709 1.00 0.00 C ATOM 982 O SER A 66 -16.301 11.802 -7.434 1.00 0.00 O ATOM 983 CB SER A 66 -16.880 9.941 -9.321 1.00 0.00 C ATOM 984 OG SER A 66 -17.073 8.844 -10.209 1.00 0.00 O ATOM 0 H SER A 66 -14.437 8.138 -8.483 1.00 0.00 H new ATOM 0 HA SER A 66 -14.758 10.080 -9.516 1.00 0.00 H new ATOM 0 HB2 SER A 66 -17.623 9.898 -8.525 1.00 0.00 H new ATOM 0 HB3 SER A 66 -17.042 10.875 -9.858 1.00 0.00 H new ATOM 0 HG SER A 66 -17.980 8.877 -10.578 1.00 0.00 H new ATOM 990 N GLY A 67 -14.125 11.238 -7.191 1.00 0.00 N ATOM 991 CA GLY A 67 -13.835 12.312 -6.258 1.00 0.00 C ATOM 992 C GLY A 67 -13.229 11.766 -4.964 1.00 0.00 C ATOM 993 O GLY A 67 -12.681 12.522 -4.163 1.00 0.00 O ATOM 0 H GLY A 67 -13.333 10.630 -7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.145 13.020 -6.716 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -14.750 12.859 -6.032 1.00 0.00 H new ATOM 997 N ARG A 68 -13.348 10.457 -4.799 1.00 0.00 N ATOM 998 CA ARG A 68 -12.641 9.769 -3.731 1.00 0.00 C ATOM 999 C ARG A 68 -11.534 8.886 -4.310 1.00 0.00 C ATOM 1000 O ARG A 68 -11.809 7.949 -5.057 1.00 0.00 O ATOM 1001 CB ARG A 68 -13.596 8.903 -2.907 1.00 0.00 C ATOM 1002 CG ARG A 68 -12.934 8.441 -1.608 1.00 0.00 C ATOM 1003 CD ARG A 68 -13.057 9.509 -0.519 1.00 0.00 C ATOM 1004 NE ARG A 68 -14.476 9.676 -0.132 1.00 0.00 N ATOM 1005 CZ ARG A 68 -15.196 8.742 0.504 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -14.586 7.678 1.044 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -16.526 8.873 0.601 1.00 0.00 N ATOM 0 H ARG A 68 -13.923 9.854 -5.387 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.203 10.527 -3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.499 9.468 -2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.902 8.036 -3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.398 7.515 -1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -11.882 8.222 -1.790 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.465 9.223 0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.656 10.456 -0.880 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.934 10.557 -0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.573 7.579 0.971 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.134 6.967 1.528 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.990 9.683 0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.075 8.162 1.085 1.00 0.00 H new ATOM 1021 N THR A 69 -10.305 9.217 -3.942 1.00 0.00 N ATOM 1022 CA THR A 69 -9.152 8.491 -4.447 1.00 0.00 C ATOM 1023 C THR A 69 -8.742 7.392 -3.464 1.00 0.00 C ATOM 1024 O THR A 69 -9.019 7.488 -2.269 1.00 0.00 O ATOM 1025 CB THR A 69 -8.039 9.503 -4.724 1.00 0.00 C ATOM 1026 OG1 THR A 69 -8.730 10.663 -5.179 1.00 0.00 O ATOM 1027 CG2 THR A 69 -7.164 9.101 -5.913 1.00 0.00 C ATOM 0 H THR A 69 -10.083 9.978 -3.300 1.00 0.00 H new ATOM 0 HA THR A 69 -9.385 7.979 -5.381 1.00 0.00 H new ATOM 0 HB THR A 69 -7.417 9.610 -3.835 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.083 11.371 -5.380 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.390 9.853 -6.066 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.698 8.137 -5.712 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.780 9.026 -6.809 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.090 6.373 -4.003 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.641 5.256 -3.189 1.00 0.00 C ATOM 1037 C TRP A 70 -6.143 5.063 -3.436 1.00 0.00 C ATOM 1038 O TRP A 70 -5.664 5.260 -4.551 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.462 3.999 -3.483 1.00 0.00 C ATOM 1040 CG TRP A 70 -9.900 4.059 -2.963 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -10.939 4.722 -3.487 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.417 3.399 -1.789 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.085 4.539 -2.739 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -11.757 3.709 -1.674 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -9.775 2.568 -0.854 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.569 3.231 -0.638 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.600 2.098 0.175 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -11.950 2.401 0.305 1.00 0.00 C ATOM 0 H TRP A 70 -7.862 6.297 -4.994 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.795 5.464 -2.130 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.483 3.835 -4.560 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -7.962 3.139 -3.039 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -10.887 5.324 -4.382 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.003 4.939 -2.932 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.728 2.312 -0.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.616 3.488 -0.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.156 1.455 0.920 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.519 1.998 1.130 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.446 4.681 -2.376 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.015 4.449 -2.465 1.00 0.00 C ATOM 1061 C ARG A 71 -3.647 3.131 -1.779 1.00 0.00 C ATOM 1062 O ARG A 71 -4.275 2.744 -0.795 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.229 5.590 -1.817 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.427 6.898 -2.586 1.00 0.00 C ATOM 1065 CD ARG A 71 -2.837 8.081 -1.816 1.00 0.00 C ATOM 1066 NE ARG A 71 -1.360 8.055 -1.901 1.00 0.00 N ATOM 1067 CZ ARG A 71 -0.556 8.928 -1.280 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -1.077 9.858 -0.468 1.00 0.00 N ATOM 1069 NH2 ARG A 71 0.770 8.871 -1.469 1.00 0.00 N ATOM 0 H ARG A 71 -5.846 4.526 -1.451 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.753 4.398 -3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.553 5.719 -0.784 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.169 5.337 -1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.953 6.824 -3.565 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.490 7.065 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.216 9.017 -2.225 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.150 8.039 -0.773 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.927 7.326 -2.468 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.086 9.901 -0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.465 10.523 0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.167 8.163 -2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.382 9.536 -0.996 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.632 2.480 -2.326 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.250 1.159 -1.856 1.00 0.00 C ATOM 1085 C GLU A 72 -0.828 1.187 -1.291 1.00 0.00 C ATOM 1086 O GLU A 72 -0.095 2.153 -1.494 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.376 0.121 -2.973 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.431 0.446 -4.132 1.00 0.00 C ATOM 1089 CD GLU A 72 -1.276 -0.756 -5.067 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -2.310 -1.408 -5.328 1.00 0.00 O ATOM 1091 OE2 GLU A 72 -0.128 -0.995 -5.499 1.00 0.00 O ATOM 0 H GLU A 72 -2.062 2.842 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.932 0.868 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.149 -0.870 -2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.404 0.093 -3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.816 1.299 -4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.456 0.735 -3.741 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.481 0.115 -0.595 1.00 0.00 N ATOM 1099 CA ALA A 73 0.872 -0.044 -0.089 1.00 0.00 C ATOM 1100 C ALA A 73 1.144 -1.527 0.171 1.00 0.00 C ATOM 1101 O ALA A 73 0.226 -2.286 0.475 1.00 0.00 O ATOM 1102 CB ALA A 73 1.052 0.811 1.167 1.00 0.00 C ATOM 0 H ALA A 73 -1.114 -0.653 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 73 1.599 0.300 -0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.067 0.691 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.877 1.859 0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.340 0.493 1.929 1.00 0.00 H new ATOM 1108 N ASP A 74 2.410 -1.895 0.041 1.00 0.00 N ATOM 1109 CA ASP A 74 2.803 -3.287 0.178 1.00 0.00 C ATOM 1110 C ASP A 74 2.814 -3.666 1.660 1.00 0.00 C ATOM 1111 O ASP A 74 3.216 -2.868 2.505 1.00 0.00 O ATOM 1112 CB ASP A 74 4.208 -3.521 -0.381 1.00 0.00 C ATOM 1113 CG ASP A 74 4.339 -3.349 -1.895 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.278 -3.263 -2.551 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.497 -3.306 -2.364 1.00 0.00 O ATOM 0 H ASP A 74 3.177 -1.253 -0.158 1.00 0.00 H new ATOM 0 HA ASP A 74 2.089 -3.895 -0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.897 -2.832 0.109 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.524 -4.530 -0.117 1.00 0.00 H new ATOM 1120 N ILE A 75 2.369 -4.885 1.930 1.00 0.00 N ATOM 1121 CA ILE A 75 2.383 -5.403 3.287 1.00 0.00 C ATOM 1122 C ILE A 75 3.238 -6.671 3.335 1.00 0.00 C ATOM 1123 O ILE A 75 3.091 -7.556 2.493 1.00 0.00 O ATOM 1124 CB ILE A 75 0.956 -5.604 3.799 1.00 0.00 C ATOM 1125 CG1 ILE A 75 0.159 -4.300 3.728 1.00 0.00 C ATOM 1126 CG2 ILE A 75 0.957 -6.199 5.208 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.654 -3.298 4.773 1.00 0.00 C ATOM 0 H ILE A 75 1.997 -5.528 1.232 1.00 0.00 H new ATOM 0 HA ILE A 75 2.841 -4.683 3.965 1.00 0.00 H new ATOM 0 HB ILE A 75 0.458 -6.322 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.251 -3.867 2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.899 -4.507 3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.070 -6.331 5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.462 -7.165 5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.480 -5.525 5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.071 -2.380 4.701 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.538 -3.724 5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.706 -3.075 4.594 1.00 0.00 H new ATOM 1139 N ASN A 76 4.113 -6.719 4.329 1.00 0.00 N ATOM 1140 CA ASN A 76 4.884 -7.923 4.589 1.00 0.00 C ATOM 1141 C ASN A 76 5.589 -8.360 3.303 1.00 0.00 C ATOM 1142 O ASN A 76 5.438 -9.499 2.865 1.00 0.00 O ATOM 1143 CB ASN A 76 3.979 -9.069 5.045 1.00 0.00 C ATOM 1144 CG ASN A 76 3.295 -8.733 6.372 1.00 0.00 C ATOM 1145 OD1 ASN A 76 3.834 -8.041 7.220 1.00 0.00 O ATOM 1146 ND2 ASN A 76 2.081 -9.260 6.503 1.00 0.00 N ATOM 0 H ASN A 76 4.305 -5.944 4.964 1.00 0.00 H new ATOM 0 HA ASN A 76 5.605 -7.698 5.375 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.225 -9.267 4.283 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.567 -9.980 5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.542 -9.094 7.353 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.689 -9.830 5.754 1.00 0.00 H new ATOM 1153 N TYR A 77 6.344 -7.431 2.735 1.00 0.00 N ATOM 1154 CA TYR A 77 7.036 -7.691 1.484 1.00 0.00 C ATOM 1155 C TYR A 77 7.987 -6.544 1.135 1.00 0.00 C ATOM 1156 O TYR A 77 7.552 -5.496 0.660 1.00 0.00 O ATOM 1157 CB TYR A 77 5.949 -7.781 0.412 1.00 0.00 C ATOM 1158 CG TYR A 77 5.630 -9.210 -0.033 1.00 0.00 C ATOM 1159 CD1 TYR A 77 6.593 -9.965 -0.670 1.00 0.00 C ATOM 1160 CD2 TYR A 77 4.379 -9.744 0.204 1.00 0.00 C ATOM 1161 CE1 TYR A 77 6.293 -11.310 -1.089 1.00 0.00 C ATOM 1162 CE2 TYR A 77 4.079 -11.088 -0.215 1.00 0.00 C ATOM 1163 CZ TYR A 77 5.051 -11.805 -0.841 1.00 0.00 C ATOM 1164 OH TYR A 77 4.767 -13.075 -1.236 1.00 0.00 O ATOM 0 H TYR A 77 6.492 -6.497 3.118 1.00 0.00 H new ATOM 0 HA TYR A 77 7.629 -8.603 1.555 1.00 0.00 H new ATOM 0 HB2 TYR A 77 5.039 -7.318 0.793 1.00 0.00 H new ATOM 0 HB3 TYR A 77 6.261 -7.202 -0.457 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.572 -9.548 -0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.626 -9.153 0.704 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.038 -11.912 -1.589 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.104 -11.518 -0.036 1.00 0.00 H new ATOM 0 HH TYR A 77 3.844 -13.295 -0.992 1.00 0.00 H new ATOM 1174 N VAL A 78 9.266 -6.782 1.383 1.00 0.00 N ATOM 1175 CA VAL A 78 10.278 -5.771 1.129 1.00 0.00 C ATOM 1176 C VAL A 78 11.093 -6.170 -0.104 1.00 0.00 C ATOM 1177 O VAL A 78 11.325 -5.349 -0.990 1.00 0.00 O ATOM 1178 CB VAL A 78 11.142 -5.570 2.376 1.00 0.00 C ATOM 1179 CG1 VAL A 78 12.122 -4.411 2.183 1.00 0.00 C ATOM 1180 CG2 VAL A 78 10.272 -5.352 3.616 1.00 0.00 C ATOM 0 H VAL A 78 9.625 -7.660 1.757 1.00 0.00 H new ATOM 0 HA VAL A 78 9.811 -4.810 0.914 1.00 0.00 H new ATOM 0 HB VAL A 78 11.724 -6.478 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.724 -4.290 3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.775 -4.624 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.567 -3.493 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.910 -5.212 4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.652 -4.467 3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.633 -6.222 3.770 1.00 0.00 H new ATOM 1190 N SER A 79 11.503 -7.429 -0.121 1.00 0.00 N ATOM 1191 CA SER A 79 12.227 -7.965 -1.261 1.00 0.00 C ATOM 1192 C SER A 79 11.242 -8.454 -2.324 1.00 0.00 C ATOM 1193 O SER A 79 10.110 -8.816 -2.006 1.00 0.00 O ATOM 1194 CB SER A 79 13.158 -9.103 -0.837 1.00 0.00 C ATOM 1195 OG SER A 79 12.446 -10.178 -0.232 1.00 0.00 O ATOM 0 H SER A 79 11.348 -8.094 0.637 1.00 0.00 H new ATOM 0 HA SER A 79 12.840 -7.168 -1.682 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.700 -9.472 -1.708 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.902 -8.721 -0.137 1.00 0.00 H new ATOM 0 HG SER A 79 13.075 -10.885 0.023 1.00 0.00 H new ATOM 1201 N GLY A 80 11.708 -8.449 -3.564 1.00 0.00 N ATOM 1202 CA GLY A 80 10.963 -9.070 -4.646 1.00 0.00 C ATOM 1203 C GLY A 80 10.127 -8.034 -5.401 1.00 0.00 C ATOM 1204 O GLY A 80 10.060 -6.874 -5.000 1.00 0.00 O ATOM 0 H GLY A 80 12.592 -8.025 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.653 -9.557 -5.335 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.311 -9.846 -4.245 1.00 0.00 H new ATOM 1208 N PHE A 81 9.512 -8.492 -6.482 1.00 0.00 N ATOM 1209 CA PHE A 81 8.662 -7.626 -7.282 1.00 0.00 C ATOM 1210 C PHE A 81 7.278 -7.478 -6.648 1.00 0.00 C ATOM 1211 O PHE A 81 7.007 -8.059 -5.598 1.00 0.00 O ATOM 1212 CB PHE A 81 8.514 -8.288 -8.653 1.00 0.00 C ATOM 1213 CG PHE A 81 9.844 -8.674 -9.304 1.00 0.00 C ATOM 1214 CD1 PHE A 81 10.695 -7.706 -9.738 1.00 0.00 C ATOM 1215 CD2 PHE A 81 10.174 -9.985 -9.450 1.00 0.00 C ATOM 1216 CE1 PHE A 81 11.929 -8.065 -10.342 1.00 0.00 C ATOM 1217 CE2 PHE A 81 11.408 -10.344 -10.054 1.00 0.00 C ATOM 1218 CZ PHE A 81 12.259 -9.376 -10.488 1.00 0.00 C ATOM 0 H PHE A 81 9.585 -9.451 -6.822 1.00 0.00 H new ATOM 0 HA PHE A 81 9.106 -6.633 -7.355 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.899 -9.182 -8.549 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.980 -7.609 -9.317 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.432 -6.665 -9.623 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.497 -10.753 -9.106 1.00 0.00 H new ATOM 0 HE1 PHE A 81 12.606 -7.297 -10.686 1.00 0.00 H new ATOM 0 HE2 PHE A 81 11.671 -11.385 -10.169 1.00 0.00 H new ATOM 0 HZ PHE A 81 13.197 -9.649 -10.949 1.00 0.00 H new ATOM 1228 N ARG A 82 6.438 -6.698 -7.312 1.00 0.00 N ATOM 1229 CA ARG A 82 5.205 -6.233 -6.700 1.00 0.00 C ATOM 1230 C ARG A 82 4.366 -7.421 -6.226 1.00 0.00 C ATOM 1231 O ARG A 82 4.096 -8.342 -6.996 1.00 0.00 O ATOM 1232 CB ARG A 82 4.383 -5.397 -7.683 1.00 0.00 C ATOM 1233 CG ARG A 82 5.130 -4.121 -8.076 1.00 0.00 C ATOM 1234 CD ARG A 82 5.467 -3.280 -6.843 1.00 0.00 C ATOM 1235 NE ARG A 82 4.316 -3.262 -5.913 1.00 0.00 N ATOM 1236 CZ ARG A 82 3.275 -2.426 -6.023 1.00 0.00 C ATOM 1237 NH1 ARG A 82 3.161 -1.635 -7.099 1.00 0.00 N ATOM 1238 NH2 ARG A 82 2.347 -2.381 -5.057 1.00 0.00 N ATOM 0 H ARG A 82 6.587 -6.376 -8.268 1.00 0.00 H new ATOM 0 HA ARG A 82 5.473 -5.610 -5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 82 4.167 -5.986 -8.575 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.425 -5.138 -7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.047 -4.381 -8.605 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.520 -3.536 -8.764 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.344 -3.690 -6.342 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.718 -2.263 -7.144 1.00 0.00 H new ATOM 0 HE ARG A 82 4.315 -3.928 -5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.867 -1.669 -7.834 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.368 -0.999 -7.182 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.433 -2.983 -4.238 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.554 -1.745 -5.141 1.00 0.00 H new ATOM 1252 N ASN A 83 3.977 -7.363 -4.961 1.00 0.00 N ATOM 1253 CA ASN A 83 3.371 -8.512 -4.310 1.00 0.00 C ATOM 1254 C ASN A 83 1.850 -8.347 -4.305 1.00 0.00 C ATOM 1255 O ASN A 83 1.334 -7.300 -4.695 1.00 0.00 O ATOM 1256 CB ASN A 83 3.838 -8.633 -2.858 1.00 0.00 C ATOM 1257 CG ASN A 83 3.712 -7.294 -2.129 1.00 0.00 C ATOM 1258 OD1 ASN A 83 4.505 -6.384 -2.306 1.00 0.00 O ATOM 1259 ND2 ASN A 83 2.674 -7.225 -1.300 1.00 0.00 N ATOM 0 H ASN A 83 4.070 -6.538 -4.369 1.00 0.00 H new ATOM 0 HA ASN A 83 3.667 -9.405 -4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.245 -9.389 -2.343 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.875 -8.969 -2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.504 -6.373 -0.766 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.048 -8.024 -1.199 1.00 0.00 H new ATOM 1266 N ALA A 84 1.174 -9.396 -3.860 1.00 0.00 N ATOM 1267 CA ALA A 84 -0.279 -9.411 -3.873 1.00 0.00 C ATOM 1268 C ALA A 84 -0.802 -8.847 -2.550 1.00 0.00 C ATOM 1269 O ALA A 84 -1.781 -8.103 -2.531 1.00 0.00 O ATOM 1270 CB ALA A 84 -0.773 -10.834 -4.136 1.00 0.00 C ATOM 0 H ALA A 84 1.606 -10.242 -3.488 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.662 -8.780 -4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.863 -10.845 -4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.398 -11.177 -5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.411 -11.496 -3.350 1.00 0.00 H new ATOM 1276 N ASP A 85 -0.125 -9.223 -1.475 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.602 -8.905 -0.140 1.00 0.00 C ATOM 1278 C ASP A 85 -0.421 -7.408 0.118 1.00 0.00 C ATOM 1279 O ASP A 85 0.697 -6.942 0.332 1.00 0.00 O ATOM 1280 CB ASP A 85 0.189 -9.667 0.925 1.00 0.00 C ATOM 1281 CG ASP A 85 -0.019 -11.183 0.923 1.00 0.00 C ATOM 1282 OD1 ASP A 85 0.412 -11.814 -0.066 1.00 0.00 O ATOM 1283 OD2 ASP A 85 -0.605 -11.676 1.911 1.00 0.00 O ATOM 0 H ASP A 85 0.751 -9.745 -1.502 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.652 -9.190 -0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.250 -9.461 0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.084 -9.279 1.906 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.538 -6.695 0.090 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.499 -5.243 0.064 1.00 0.00 C ATOM 1290 C ARG A 86 -2.622 -4.667 0.929 1.00 0.00 C ATOM 1291 O ARG A 86 -3.607 -5.348 1.208 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.642 -4.714 -1.365 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.271 -4.477 -2.001 1.00 0.00 C ATOM 1294 CD ARG A 86 -0.210 -5.076 -3.408 1.00 0.00 C ATOM 1295 NE ARG A 86 -1.118 -4.336 -4.313 1.00 0.00 N ATOM 1296 CZ ARG A 86 -1.232 -4.579 -5.626 1.00 0.00 C ATOM 1297 NH1 ARG A 86 -0.487 -5.535 -6.198 1.00 0.00 N ATOM 1298 NH2 ARG A 86 -2.091 -3.866 -6.367 1.00 0.00 N ATOM 0 H ARG A 86 -2.476 -7.096 0.085 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.533 -4.929 0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.207 -5.427 -1.966 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.209 -3.783 -1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.068 -3.407 -2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.505 -4.922 -1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.811 -5.031 -3.787 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.492 -6.128 -3.377 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.693 -3.595 -3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.167 -6.078 -5.634 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.574 -5.720 -7.197 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.658 -3.138 -5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.178 -4.051 -7.366 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.436 -3.417 1.328 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.439 -2.728 2.121 1.00 0.00 C ATOM 1314 C LEU A 87 -3.827 -1.423 1.423 1.00 0.00 C ATOM 1315 O LEU A 87 -2.960 -0.644 1.030 1.00 0.00 O ATOM 1316 CB LEU A 87 -2.948 -2.534 3.557 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.830 -1.667 4.457 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -4.006 -2.309 5.835 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.280 -0.242 4.555 1.00 0.00 C ATOM 0 H LEU A 87 -1.605 -2.864 1.117 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.344 -3.331 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.845 -3.515 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.953 -2.091 3.523 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.819 -1.600 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.637 -1.672 6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.475 -3.287 5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.031 -2.426 6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.925 0.354 5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.274 -0.268 4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.249 0.205 3.561 1.00 0.00 H new ATOM 1331 N VAL A 88 -5.130 -1.224 1.290 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.643 -0.182 0.417 1.00 0.00 C ATOM 1333 C VAL A 88 -6.596 0.716 1.208 1.00 0.00 C ATOM 1334 O VAL A 88 -7.575 0.237 1.780 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.296 -0.807 -0.817 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.525 0.242 -1.907 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.462 -1.975 -1.347 1.00 0.00 C ATOM 0 H VAL A 88 -5.846 -1.767 1.772 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.830 0.447 0.054 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.269 -1.198 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.990 -0.229 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.179 1.026 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.569 0.677 -2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.949 -2.401 -2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.469 -1.618 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.373 -2.739 -0.574 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.278 2.002 1.216 1.00 0.00 N ATOM 1348 CA TYR A 89 -6.980 2.942 2.073 1.00 0.00 C ATOM 1349 C TYR A 89 -7.442 4.166 1.281 1.00 0.00 C ATOM 1350 O TYR A 89 -6.816 4.543 0.291 1.00 0.00 O ATOM 1351 CB TYR A 89 -5.968 3.386 3.131 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.696 4.010 2.552 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -3.619 3.209 2.231 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -4.627 5.373 2.350 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -2.422 3.797 1.686 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -3.431 5.961 1.805 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.387 5.144 1.500 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.257 5.698 0.985 1.00 0.00 O ATOM 0 H TYR A 89 -5.543 2.415 0.642 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.864 2.477 2.510 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.445 4.107 3.795 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.693 2.525 3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.673 2.142 2.388 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.470 5.999 2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.572 3.182 1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.364 7.027 1.642 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.375 6.668 0.906 1.00 0.00 H new ATOM 1368 N SER A 90 -8.535 4.755 1.747 1.00 0.00 N ATOM 1369 CA SER A 90 -9.167 5.842 1.019 1.00 0.00 C ATOM 1370 C SER A 90 -8.578 7.182 1.464 1.00 0.00 C ATOM 1371 O SER A 90 -7.795 7.236 2.411 1.00 0.00 O ATOM 1372 CB SER A 90 -10.683 5.834 1.224 1.00 0.00 C ATOM 1373 OG SER A 90 -11.038 6.032 2.590 1.00 0.00 O ATOM 0 H SER A 90 -8.998 4.500 2.619 1.00 0.00 H new ATOM 0 HA SER A 90 -8.971 5.701 -0.044 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.135 6.616 0.615 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.091 4.884 0.877 1.00 0.00 H new ATOM 0 HG SER A 90 -11.596 6.833 2.670 1.00 0.00 H new ATOM 1379 N SER A 91 -8.979 8.231 0.761 1.00 0.00 N ATOM 1380 CA SER A 91 -8.447 9.557 1.026 1.00 0.00 C ATOM 1381 C SER A 91 -8.875 10.024 2.418 1.00 0.00 C ATOM 1382 O SER A 91 -8.112 10.691 3.115 1.00 0.00 O ATOM 1383 CB SER A 91 -8.909 10.558 -0.035 1.00 0.00 C ATOM 1384 OG SER A 91 -8.421 10.225 -1.332 1.00 0.00 O ATOM 0 H SER A 91 -9.666 8.190 0.008 1.00 0.00 H new ATOM 0 HA SER A 91 -7.359 9.503 0.987 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.998 10.589 -0.054 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.567 11.557 0.236 1.00 0.00 H new ATOM 0 HG SER A 91 -8.682 9.307 -1.554 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.094 9.654 2.783 1.00 0.00 N ATOM 1391 CA ASP A 92 -10.652 10.069 4.058 1.00 0.00 C ATOM 1392 C ASP A 92 -10.425 8.965 5.093 1.00 0.00 C ATOM 1393 O ASP A 92 -11.062 8.955 6.145 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.158 10.311 3.948 1.00 0.00 C ATOM 1395 CG ASP A 92 -12.990 9.070 3.618 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -12.573 8.337 2.695 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -14.024 8.883 4.295 1.00 0.00 O ATOM 0 H ASP A 92 -10.711 9.071 2.217 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.159 10.994 4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.513 10.728 4.890 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.335 11.063 3.179 1.00 0.00 H new ATOM 1402 N TRP A 93 -9.514 8.063 4.758 1.00 0.00 N ATOM 1403 CA TRP A 93 -9.000 7.120 5.737 1.00 0.00 C ATOM 1404 C TRP A 93 -10.132 6.162 6.111 1.00 0.00 C ATOM 1405 O TRP A 93 -10.615 6.176 7.242 1.00 0.00 O ATOM 1406 CB TRP A 93 -8.412 7.851 6.946 1.00 0.00 C ATOM 1407 CG TRP A 93 -7.563 9.071 6.583 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -7.778 10.352 6.912 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -6.349 9.073 5.804 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -6.795 11.177 6.403 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -5.898 10.374 5.708 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -5.654 8.011 5.199 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -4.736 10.734 5.016 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -4.494 8.387 4.511 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.027 9.692 4.406 1.00 0.00 C ATOM 0 H TRP A 93 -9.119 7.965 3.823 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.177 6.540 5.319 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -9.226 8.169 7.597 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.801 7.153 7.518 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.615 10.696 7.501 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -6.738 12.189 6.516 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -5.989 6.986 5.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.404 11.760 4.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -3.922 7.609 4.028 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.121 9.901 3.856 1.00 0.00 H new ATOM 1426 N LEU A 94 -10.524 5.351 5.138 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.174 4.086 5.435 1.00 0.00 C ATOM 1428 C LEU A 94 -10.323 2.939 4.888 1.00 0.00 C ATOM 1429 O LEU A 94 -10.029 2.894 3.694 1.00 0.00 O ATOM 1430 CB LEU A 94 -12.612 4.088 4.913 1.00 0.00 C ATOM 1431 CG LEU A 94 -13.620 4.905 5.725 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -14.686 5.520 4.816 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -14.236 4.062 6.842 1.00 0.00 C ATOM 0 H LEU A 94 -10.404 5.546 4.144 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.250 3.940 6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.606 4.468 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -12.962 3.057 4.868 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.088 5.729 6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.390 6.095 5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.209 6.177 4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.220 4.727 4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -14.948 4.667 7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -14.750 3.204 6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -13.449 3.714 7.511 1.00 0.00 H new ATOM 1445 N ILE A 95 -9.950 2.040 5.786 1.00 0.00 N ATOM 1446 CA ILE A 95 -8.894 1.085 5.496 1.00 0.00 C ATOM 1447 C ILE A 95 -9.517 -0.270 5.155 1.00 0.00 C ATOM 1448 O ILE A 95 -10.476 -0.696 5.797 1.00 0.00 O ATOM 1449 CB ILE A 95 -7.892 1.027 6.651 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -7.275 2.403 6.911 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -6.826 -0.041 6.399 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -6.731 2.499 8.338 1.00 0.00 C ATOM 0 H ILE A 95 -10.360 1.952 6.716 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.323 1.403 4.624 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.429 0.739 7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.471 2.585 6.198 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.025 3.178 6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.127 -0.061 7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.304 -1.016 6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.287 0.192 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.298 3.487 8.497 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.542 2.340 9.048 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.964 1.739 8.487 1.00 0.00 H new ATOM 1464 N TYR A 96 -8.947 -0.910 4.144 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.238 -2.310 3.886 1.00 0.00 C ATOM 1466 C TYR A 96 -7.960 -3.083 3.552 1.00 0.00 C ATOM 1467 O TYR A 96 -7.011 -2.516 3.013 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.164 -2.330 2.668 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.559 -1.761 2.938 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -11.745 -0.395 3.004 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.630 -2.613 3.115 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.058 0.141 3.257 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -13.942 -2.077 3.369 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.091 -0.726 3.427 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.331 -0.220 3.667 1.00 0.00 O ATOM 0 H TYR A 96 -8.286 -0.485 3.494 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.688 -2.776 4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.700 -1.761 1.862 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.263 -3.357 2.317 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -10.907 0.272 2.866 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.484 -3.682 3.063 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.218 1.208 3.310 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.789 -2.733 3.510 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.971 -0.956 3.767 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.978 -4.365 3.887 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.843 -5.227 3.604 1.00 0.00 C ATOM 1487 C LYS A 97 -7.213 -6.198 2.481 1.00 0.00 C ATOM 1488 O LYS A 97 -8.391 -6.391 2.185 1.00 0.00 O ATOM 1489 CB LYS A 97 -6.365 -5.919 4.883 1.00 0.00 C ATOM 1490 CG LYS A 97 -7.352 -7.001 5.323 1.00 0.00 C ATOM 1491 CD LYS A 97 -6.811 -8.398 5.010 1.00 0.00 C ATOM 1492 CE LYS A 97 -7.880 -9.466 5.246 1.00 0.00 C ATOM 1493 NZ LYS A 97 -7.348 -10.811 4.933 1.00 0.00 N ATOM 0 H LYS A 97 -8.760 -4.827 4.351 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.996 -4.639 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.384 -6.363 4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.250 -5.182 5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.541 -6.912 6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.306 -6.855 4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.475 -8.438 3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.942 -8.604 5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.213 -9.433 6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.752 -9.260 4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.087 -11.524 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.052 -10.844 3.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.530 -11.012 5.544 1.00 0.00 H new ATOM 1507 N THR A 98 -6.184 -6.784 1.886 1.00 0.00 N ATOM 1508 CA THR A 98 -6.387 -7.847 0.917 1.00 0.00 C ATOM 1509 C THR A 98 -5.124 -8.702 0.792 1.00 0.00 C ATOM 1510 O THR A 98 -4.027 -8.174 0.620 1.00 0.00 O ATOM 1511 CB THR A 98 -6.820 -7.207 -0.403 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.711 -8.263 -1.354 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.825 -6.155 -0.899 1.00 0.00 C ATOM 0 H THR A 98 -5.208 -6.543 2.056 1.00 0.00 H new ATOM 0 HA THR A 98 -7.174 -8.530 1.237 1.00 0.00 H new ATOM 0 HB THR A 98 -7.801 -6.748 -0.278 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.487 -8.856 -1.275 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.180 -5.732 -1.839 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.733 -5.362 -0.156 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.852 -6.620 -1.055 1.00 0.00 H new ATOM 1521 N THR A 99 -5.322 -10.009 0.883 1.00 0.00 N ATOM 1522 CA THR A 99 -4.234 -10.948 0.664 1.00 0.00 C ATOM 1523 C THR A 99 -4.330 -11.557 -0.736 1.00 0.00 C ATOM 1524 O THR A 99 -3.401 -12.222 -1.193 1.00 0.00 O ATOM 1525 CB THR A 99 -4.275 -11.989 1.784 1.00 0.00 C ATOM 1526 OG1 THR A 99 -5.650 -12.353 1.870 1.00 0.00 O ATOM 1527 CG2 THR A 99 -3.963 -11.386 3.155 1.00 0.00 C ATOM 0 H THR A 99 -6.219 -10.440 1.105 1.00 0.00 H new ATOM 0 HA THR A 99 -3.266 -10.448 0.701 1.00 0.00 H new ATOM 0 HB THR A 99 -3.562 -12.784 1.566 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.767 -13.027 2.572 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.005 -12.167 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.965 -10.947 3.141 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.696 -10.613 3.388 1.00 0.00 H new ATOM 1535 N ASP A 100 -5.462 -11.310 -1.378 1.00 0.00 N ATOM 1536 CA ASP A 100 -5.876 -12.126 -2.507 1.00 0.00 C ATOM 1537 C ASP A 100 -5.893 -11.266 -3.773 1.00 0.00 C ATOM 1538 O ASP A 100 -6.799 -11.384 -4.596 1.00 0.00 O ATOM 1539 CB ASP A 100 -7.285 -12.684 -2.296 1.00 0.00 C ATOM 1540 CG ASP A 100 -8.346 -11.642 -1.935 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -8.085 -10.450 -2.203 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -9.394 -12.062 -1.398 1.00 0.00 O ATOM 0 H ASP A 100 -6.106 -10.556 -1.138 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.171 -12.952 -2.602 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.596 -13.197 -3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.248 -13.432 -1.504 1.00 0.00 H new ATOM 1547 N HIS A 101 -4.879 -10.421 -3.889 1.00 0.00 N ATOM 1548 CA HIS A 101 -4.634 -9.713 -5.134 1.00 0.00 C ATOM 1549 C HIS A 101 -5.796 -8.759 -5.418 1.00 0.00 C ATOM 1550 O HIS A 101 -6.383 -8.795 -6.498 1.00 0.00 O ATOM 1551 CB HIS A 101 -4.381 -10.696 -6.278 1.00 0.00 C ATOM 1552 CG HIS A 101 -3.727 -10.075 -7.489 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -2.517 -9.462 -7.632 1.00 0.00 N flip ATOM 1554 CD2 HIS A 101 -4.330 -10.042 -8.734 1.00 0.00 C flip ATOM 1555 CE1 HIS A 101 -2.387 -9.077 -8.896 1.00 0.00 C flip ATOM 1556 NE2 HIS A 101 -3.511 -9.436 -9.580 1.00 0.00 N flip ATOM 0 H HIS A 101 -4.218 -10.211 -3.141 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.729 -9.112 -5.043 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.751 -11.507 -5.913 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -5.330 -11.140 -6.578 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -1.828 -9.323 -6.893 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.304 -10.443 -8.975 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -1.533 -8.565 -9.313 1.00 0.00 H new ATOM 1564 N TYR A 102 -6.093 -7.927 -4.430 1.00 0.00 N ATOM 1565 CA TYR A 102 -7.290 -7.105 -4.478 1.00 0.00 C ATOM 1566 C TYR A 102 -8.388 -7.783 -5.299 1.00 0.00 C ATOM 1567 O TYR A 102 -8.830 -7.246 -6.314 1.00 0.00 O ATOM 1568 CB TYR A 102 -6.880 -5.804 -5.171 1.00 0.00 C ATOM 1569 CG TYR A 102 -6.006 -6.008 -6.410 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -4.648 -6.212 -6.271 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -6.575 -5.987 -7.667 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -3.826 -6.404 -7.437 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -5.753 -6.178 -8.833 1.00 0.00 C ATOM 1574 CZ TYR A 102 -4.419 -6.378 -8.661 1.00 0.00 C ATOM 1575 OH TYR A 102 -3.642 -6.559 -9.762 1.00 0.00 O ATOM 0 H TYR A 102 -5.525 -7.805 -3.592 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.682 -6.939 -3.475 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.779 -5.259 -5.459 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.342 -5.179 -4.458 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.202 -6.228 -5.287 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.638 -5.827 -7.776 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.762 -6.565 -7.342 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.186 -6.163 -9.822 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.788 -7.459 -10.121 1.00 0.00 H new ATOM 1585 N ALA A 103 -8.797 -8.953 -4.831 1.00 0.00 N ATOM 1586 CA ALA A 103 -9.999 -9.587 -5.346 1.00 0.00 C ATOM 1587 C ALA A 103 -11.177 -9.259 -4.426 1.00 0.00 C ATOM 1588 O ALA A 103 -12.217 -8.792 -4.887 1.00 0.00 O ATOM 1589 CB ALA A 103 -9.765 -11.093 -5.479 1.00 0.00 C ATOM 0 H ALA A 103 -8.317 -9.479 -4.100 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.239 -9.206 -6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.667 -11.569 -5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.937 -11.273 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.524 -11.512 -4.502 1.00 0.00 H new ATOM 1595 N THR A 104 -10.974 -9.517 -3.142 1.00 0.00 N ATOM 1596 CA THR A 104 -11.925 -9.084 -2.133 1.00 0.00 C ATOM 1597 C THR A 104 -11.195 -8.425 -0.961 1.00 0.00 C ATOM 1598 O THR A 104 -9.969 -8.482 -0.877 1.00 0.00 O ATOM 1599 CB THR A 104 -12.763 -10.296 -1.722 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.860 -11.104 -0.972 1.00 0.00 O ATOM 1601 CG2 THR A 104 -13.147 -11.173 -2.915 1.00 0.00 C ATOM 0 H THR A 104 -10.165 -10.020 -2.778 1.00 0.00 H new ATOM 0 HA THR A 104 -12.599 -8.323 -2.526 1.00 0.00 H new ATOM 0 HB THR A 104 -13.667 -9.958 -1.215 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.101 -11.357 -1.537 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.741 -12.019 -2.569 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.730 -10.587 -3.625 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.244 -11.539 -3.403 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.979 -7.814 -0.085 1.00 0.00 N ATOM 1610 CA PHE A 105 -11.428 -6.910 0.911 1.00 0.00 C ATOM 1611 C PHE A 105 -12.125 -7.090 2.261 1.00 0.00 C ATOM 1612 O PHE A 105 -13.238 -7.609 2.324 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.675 -5.486 0.408 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.767 -5.068 -0.750 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -9.529 -4.566 -0.496 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -11.198 -5.199 -2.033 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -8.686 -4.178 -1.571 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -10.355 -4.811 -3.108 1.00 0.00 C ATOM 1619 CZ PHE A 105 -9.116 -4.309 -2.854 1.00 0.00 C ATOM 0 H PHE A 105 -12.992 -7.927 -0.044 1.00 0.00 H new ATOM 0 HA PHE A 105 -10.366 -7.114 1.051 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.714 -5.399 0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.535 -4.790 1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.187 -4.462 0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -12.181 -5.598 -2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.703 -3.779 -1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -10.697 -4.914 -4.127 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.474 -4.015 -3.671 1.00 0.00 H new ATOM 1629 N THR A 106 -11.441 -6.651 3.307 1.00 0.00 N ATOM 1630 CA THR A 106 -12.051 -6.582 4.624 1.00 0.00 C ATOM 1631 C THR A 106 -11.650 -5.285 5.330 1.00 0.00 C ATOM 1632 O THR A 106 -10.474 -4.927 5.357 1.00 0.00 O ATOM 1633 CB THR A 106 -11.652 -7.842 5.395 1.00 0.00 C ATOM 1634 OG1 THR A 106 -12.207 -8.908 4.629 1.00 0.00 O ATOM 1635 CG2 THR A 106 -12.360 -7.949 6.748 1.00 0.00 C ATOM 0 H THR A 106 -10.470 -6.340 3.269 1.00 0.00 H new ATOM 0 HA THR A 106 -13.139 -6.555 4.556 1.00 0.00 H new ATOM 0 HB THR A 106 -10.573 -7.847 5.548 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.994 -9.764 5.057 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.042 -8.860 7.254 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.105 -7.085 7.362 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.439 -7.978 6.593 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.651 -4.618 5.885 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.417 -3.372 6.595 1.00 0.00 C ATOM 1645 C ARG A 107 -11.767 -3.648 7.952 1.00 0.00 C ATOM 1646 O ARG A 107 -12.228 -4.506 8.702 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.724 -2.606 6.810 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.451 -1.169 7.256 1.00 0.00 C ATOM 1649 CD ARG A 107 -14.758 -0.404 7.473 1.00 0.00 C ATOM 1650 NE ARG A 107 -14.530 0.743 8.380 1.00 0.00 N ATOM 1651 CZ ARG A 107 -15.490 1.588 8.780 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -16.733 1.466 8.296 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -15.206 2.555 9.663 1.00 0.00 N ATOM 0 H ARG A 107 -13.626 -4.917 5.857 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.749 -2.764 5.985 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.302 -2.600 5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -14.328 -3.115 7.561 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -12.872 -1.175 8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.848 -0.660 6.504 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -15.145 -0.051 6.517 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.512 -1.068 7.896 1.00 0.00 H new ATOM 0 HE ARG A 107 -13.582 0.900 8.722 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.948 0.730 7.623 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.464 2.109 8.600 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -14.259 2.648 10.031 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -15.937 3.198 9.967 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.705 -2.904 8.226 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.942 -3.109 9.445 1.00 0.00 C ATOM 1669 C ILE A 108 -10.228 -1.964 10.419 1.00 0.00 C ATOM 1670 O ILE A 108 -10.392 -2.189 11.617 1.00 0.00 O ATOM 1671 CB ILE A 108 -8.457 -3.287 9.125 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.701 -1.965 9.272 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -8.266 -3.905 7.738 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.529 -1.593 10.746 1.00 0.00 C ATOM 0 H ILE A 108 -10.355 -2.158 7.624 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.251 -4.032 9.937 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.033 -3.982 9.849 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.723 -2.046 8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.242 -1.173 8.754 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.201 -4.021 7.535 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.750 -4.881 7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.710 -3.254 6.985 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.989 -0.649 10.822 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.509 -1.489 11.212 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.967 -2.375 11.256 1.00 0.00 H new ATOM 1686 N ARG A 109 -10.278 -0.760 9.868 1.00 0.00 N ATOM 1687 CA ARG A 109 -10.652 0.406 10.651 1.00 0.00 C ATOM 1688 C ARG A 109 -12.084 0.259 11.171 1.00 0.00 C ATOM 1689 O ARG A 109 -12.950 -0.116 10.351 1.00 0.00 O ATOM 1690 CB ARG A 109 -10.548 1.685 9.817 1.00 0.00 C ATOM 1691 CG ARG A 109 -10.799 2.923 10.680 1.00 0.00 C ATOM 1692 CD ARG A 109 -10.323 4.192 9.970 1.00 0.00 C ATOM 1693 NE ARG A 109 -11.487 5.012 9.564 1.00 0.00 N ATOM 1694 CZ ARG A 109 -12.272 5.677 10.422 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -12.003 5.653 11.734 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -13.327 6.367 9.967 1.00 0.00 N ATOM 0 H ARG A 109 -10.066 -0.567 8.889 1.00 0.00 H new ATOM 0 HA ARG A 109 -9.962 0.477 11.492 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -9.559 1.748 9.363 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -11.271 1.652 9.002 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.863 3.005 10.904 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.279 2.818 11.632 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.675 4.767 10.631 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -9.730 3.928 9.094 1.00 0.00 H new ATOM 0 HE ARG A 109 -11.705 5.074 8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.200 5.128 12.080 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.601 6.160 12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -13.532 6.386 8.968 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -13.925 6.874 10.620 1.00 0.00 H new TER 1710 ARG A 109