USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 673 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 8 SER OG : rot 80:sc= 0.623 USER MOD Set 1.2: A 92 THR OG1 : rot -130:sc= 0.556 USER MOD Set 2.1: A 1 PCA N :NH3+ 121:sc= 0.49 (180deg=-0.014) USER MOD Set 2.2: A 4 THR OG1 : rot 108:sc= 1.23 USER MOD Set 2.3: A 85 TYR OH : rot 180:sc= -0.0936 USER MOD Set 2.4: A 103 SER OG : rot -130:sc= 1.31 USER MOD Set 3.1: A 21 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Set 3.2: A 25 GLN : amide:sc= 0 X(o=0,f=0.1) USER MOD Set 4.1: A 5 THR OG1 : rot 95:sc= 0.597 USER MOD Set 4.2: A 10 ASN : amide:sc= 0.661 K(o=1.3,f=0.046) USER MOD Single : A 2 SER OG : rot 11:sc= 0.32 USER MOD Single : A 9 THR OG1 : rot 62:sc= 0.521 USER MOD Single : A 11 TYR OH : rot 162:sc= -0.0209 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00918 X(o=-0.0092,f=-0.14) USER MOD Single : A 26 TYR OH : rot -102:sc= 0.241 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0209 K(o=-0.021,f=-3.7!) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0695 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.345 K(o=-0.35,f=-1.3) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.013) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 165:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -4.46 K(o=-4.5,f=-5.7!) USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= 0.648 (180deg=0.461) USER MOD Single : A 63 SER OG : rot 58:sc= 0.0749 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 55:sc= 0.144 USER MOD Single : A 80 ASN : amide:sc= -1.5 K(o=-1.5,f=-3.3) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0318 K(o=-0.032,f=-0.72) USER MOD Single : A 90 THR OG1 : rot 44:sc= 1.24 USER MOD Single : A 91 HIS : no HD1:sc= -0.239 K(o=-0.24,f=-2.1) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.17) USER MOD Single : A 98 ASN : amide:sc= 0.282 K(o=0.28,f=-5.9!) USER MOD Single : A 105 THR OG1 : rot 93:sc= 0.634 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 5.308 15.647 -8.240 1.00 0.00 N HETATM 2 CA PCA A 1 4.529 15.518 -7.005 1.00 0.00 C HETATM 3 CB PCA A 1 3.231 16.320 -7.156 1.00 0.00 C HETATM 4 CG PCA A 1 3.527 17.321 -8.278 1.00 0.00 C HETATM 5 CD PCA A 1 4.822 16.849 -8.928 1.00 0.00 C HETATM 6 OE PCA A 1 5.297 17.358 -9.939 1.00 0.00 O HETATM 7 C PCA A 1 4.605 14.146 -6.320 1.00 0.00 C HETATM 8 O PCA A 1 3.632 13.419 -6.146 1.00 0.00 O HETATM 0 H2 PCA A 1 4.674 15.896 -9.026 1.00 0.00 H new HETATM 0 H3 PCA A 1 6.024 16.392 -8.123 1.00 0.00 H new HETATM 0 HA PCA A 1 4.990 16.008 -6.147 1.00 0.00 H new HETATM 0 HB2 PCA A 1 2.392 15.673 -7.412 1.00 0.00 H new HETATM 0 HB3 PCA A 1 2.969 16.829 -6.229 1.00 0.00 H new HETATM 0 HG2 PCA A 1 2.713 17.347 -9.003 1.00 0.00 H new HETATM 0 HG3 PCA A 1 3.634 18.331 -7.882 1.00 0.00 H new ATOM 15 N SER A 2 5.838 13.823 -5.920 1.00 0.00 N ATOM 16 CA SER A 2 6.288 12.639 -5.205 1.00 0.00 C ATOM 17 C SER A 2 7.622 13.119 -4.639 1.00 0.00 C ATOM 18 O SER A 2 8.680 12.737 -5.133 1.00 0.00 O ATOM 19 CB SER A 2 6.424 11.432 -6.144 1.00 0.00 C ATOM 20 OG SER A 2 5.159 11.026 -6.624 1.00 0.00 O ATOM 0 H SER A 2 6.619 14.451 -6.111 1.00 0.00 H new ATOM 0 HA SER A 2 5.603 12.280 -4.437 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.071 11.689 -6.983 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.900 10.606 -5.616 1.00 0.00 H new ATOM 0 HG SER A 2 4.489 11.702 -6.391 1.00 0.00 H new ATOM 26 N ALA A 3 7.540 13.969 -3.602 1.00 0.00 N ATOM 27 CA ALA A 3 8.666 14.620 -2.939 1.00 0.00 C ATOM 28 C ALA A 3 9.139 15.612 -3.996 1.00 0.00 C ATOM 29 O ALA A 3 10.183 15.418 -4.616 1.00 0.00 O ATOM 30 CB ALA A 3 9.750 13.650 -2.451 1.00 0.00 C ATOM 0 H ALA A 3 6.644 14.228 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 3 8.389 15.103 -2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.551 14.212 -1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.317 12.951 -1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.153 13.098 -3.300 1.00 0.00 H new ATOM 36 N THR A 4 8.350 16.683 -4.173 1.00 0.00 N ATOM 37 CA THR A 4 8.585 17.703 -5.182 1.00 0.00 C ATOM 38 C THR A 4 8.882 19.086 -4.628 1.00 0.00 C ATOM 39 O THR A 4 8.462 19.439 -3.527 1.00 0.00 O ATOM 40 CB THR A 4 7.357 17.771 -6.110 1.00 0.00 C ATOM 41 OG1 THR A 4 7.651 18.595 -7.220 1.00 0.00 O ATOM 42 CG2 THR A 4 6.078 18.335 -5.468 1.00 0.00 C ATOM 0 H THR A 4 7.521 16.859 -3.606 1.00 0.00 H new ATOM 0 HA THR A 4 9.485 17.405 -5.720 1.00 0.00 H new ATOM 0 HB THR A 4 7.158 16.733 -6.378 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.751 18.040 -8.022 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.274 18.340 -6.204 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.791 17.712 -4.621 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.262 19.353 -5.124 1.00 0.00 H new ATOM 50 N THR A 5 9.628 19.852 -5.431 1.00 0.00 N ATOM 51 CA THR A 5 10.018 21.206 -5.194 1.00 0.00 C ATOM 52 C THR A 5 9.381 21.938 -6.373 1.00 0.00 C ATOM 53 O THR A 5 9.727 21.679 -7.525 1.00 0.00 O ATOM 54 CB THR A 5 11.550 21.280 -5.160 1.00 0.00 C ATOM 55 OG1 THR A 5 11.996 21.067 -3.841 1.00 0.00 O ATOM 56 CG2 THR A 5 12.061 22.619 -5.673 1.00 0.00 C ATOM 0 H THR A 5 9.989 19.499 -6.317 1.00 0.00 H new ATOM 0 HA THR A 5 9.699 21.640 -4.247 1.00 0.00 H new ATOM 0 HB THR A 5 11.944 20.505 -5.818 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.222 20.121 -3.721 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.150 22.632 -5.633 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.734 22.763 -6.703 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.665 23.422 -5.051 1.00 0.00 H new ATOM 64 N CYS A 6 8.440 22.839 -6.081 1.00 0.00 N ATOM 65 CA CYS A 6 7.758 23.626 -7.093 1.00 0.00 C ATOM 66 C CYS A 6 8.545 24.929 -7.261 1.00 0.00 C ATOM 67 O CYS A 6 8.019 26.022 -7.069 1.00 0.00 O ATOM 68 CB CYS A 6 6.287 23.818 -6.687 1.00 0.00 C ATOM 69 SG CYS A 6 5.082 22.572 -7.250 1.00 0.00 S ATOM 0 H CYS A 6 8.133 23.039 -5.129 1.00 0.00 H new ATOM 0 HA CYS A 6 7.727 23.131 -8.064 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.242 23.860 -5.599 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.961 24.790 -7.057 1.00 0.00 H new ATOM 74 N GLY A 7 9.828 24.795 -7.625 1.00 0.00 N ATOM 75 CA GLY A 7 10.742 25.902 -7.844 1.00 0.00 C ATOM 76 C GLY A 7 11.159 26.543 -6.522 1.00 0.00 C ATOM 77 O GLY A 7 12.255 26.279 -6.031 1.00 0.00 O ATOM 0 H GLY A 7 10.261 23.884 -7.777 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.626 25.548 -8.374 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.267 26.649 -8.480 1.00 0.00 H new ATOM 81 N SER A 8 10.273 27.377 -5.957 1.00 0.00 N ATOM 82 CA SER A 8 10.483 28.096 -4.707 1.00 0.00 C ATOM 83 C SER A 8 9.441 27.672 -3.670 1.00 0.00 C ATOM 84 O SER A 8 8.909 28.491 -2.923 1.00 0.00 O ATOM 85 CB SER A 8 10.458 29.609 -4.966 1.00 0.00 C ATOM 86 OG SER A 8 11.448 29.961 -5.910 1.00 0.00 O ATOM 0 H SER A 8 9.364 27.571 -6.377 1.00 0.00 H new ATOM 0 HA SER A 8 11.463 27.846 -4.301 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.475 29.906 -5.332 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.627 30.147 -4.033 1.00 0.00 H new ATOM 0 HG SER A 8 11.124 29.762 -6.813 1.00 0.00 H new ATOM 92 N THR A 9 9.153 26.369 -3.655 1.00 0.00 N ATOM 93 CA THR A 9 8.230 25.688 -2.759 1.00 0.00 C ATOM 94 C THR A 9 8.839 24.298 -2.563 1.00 0.00 C ATOM 95 O THR A 9 9.558 23.828 -3.443 1.00 0.00 O ATOM 96 CB THR A 9 6.796 25.629 -3.333 1.00 0.00 C ATOM 97 OG1 THR A 9 6.677 26.306 -4.567 1.00 0.00 O ATOM 98 CG2 THR A 9 5.772 26.241 -2.372 1.00 0.00 C ATOM 0 H THR A 9 9.589 25.724 -4.313 1.00 0.00 H new ATOM 0 HA THR A 9 8.115 26.216 -1.812 1.00 0.00 H new ATOM 0 HB THR A 9 6.593 24.568 -3.478 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.256 25.878 -5.232 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.777 26.180 -2.813 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.785 25.694 -1.429 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.024 27.286 -2.189 1.00 0.00 H new ATOM 106 N ASN A 10 8.577 23.637 -1.428 1.00 0.00 N ATOM 107 CA ASN A 10 9.144 22.322 -1.148 1.00 0.00 C ATOM 108 C ASN A 10 8.227 21.489 -0.257 1.00 0.00 C ATOM 109 O ASN A 10 8.008 21.842 0.901 1.00 0.00 O ATOM 110 CB ASN A 10 10.521 22.502 -0.489 1.00 0.00 C ATOM 111 CG ASN A 10 11.144 21.169 -0.075 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.264 20.880 1.113 1.00 0.00 O ATOM 113 ND2 ASN A 10 11.542 20.354 -1.054 1.00 0.00 N ATOM 0 H ASN A 10 7.973 23.998 -0.689 1.00 0.00 H new ATOM 0 HA ASN A 10 9.251 21.781 -2.088 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.189 23.013 -1.182 1.00 0.00 H new ATOM 0 HB3 ASN A 10 10.421 23.142 0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.964 19.453 -0.828 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.424 20.632 -2.028 1.00 0.00 H new ATOM 120 N TYR A 11 7.691 20.392 -0.812 1.00 0.00 N ATOM 121 CA TYR A 11 6.830 19.458 -0.117 1.00 0.00 C ATOM 122 C TYR A 11 7.336 18.020 -0.266 1.00 0.00 C ATOM 123 O TYR A 11 7.740 17.595 -1.351 1.00 0.00 O ATOM 124 CB TYR A 11 5.399 19.520 -0.667 1.00 0.00 C ATOM 125 CG TYR A 11 5.029 20.669 -1.574 1.00 0.00 C ATOM 126 CD1 TYR A 11 4.895 21.967 -1.059 1.00 0.00 C ATOM 127 CD2 TYR A 11 4.803 20.427 -2.938 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.537 23.024 -1.911 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.464 21.482 -3.794 1.00 0.00 C ATOM 130 CZ TYR A 11 4.331 22.782 -3.281 1.00 0.00 C ATOM 131 OH TYR A 11 3.992 23.804 -4.113 1.00 0.00 O ATOM 0 H TYR A 11 7.857 20.134 -1.785 1.00 0.00 H new ATOM 0 HA TYR A 11 6.839 19.743 0.935 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.212 18.594 -1.211 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.717 19.535 0.183 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.067 22.153 -0.009 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.891 19.424 -3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.420 24.022 -1.515 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.305 21.296 -4.846 1.00 0.00 H new ATOM 0 HH TYR A 11 4.174 23.545 -5.040 1.00 0.00 H new ATOM 141 N SER A 12 7.290 17.281 0.848 1.00 0.00 N ATOM 142 CA SER A 12 7.663 15.877 0.970 1.00 0.00 C ATOM 143 C SER A 12 6.627 15.045 0.240 1.00 0.00 C ATOM 144 O SER A 12 5.525 15.527 -0.010 1.00 0.00 O ATOM 145 CB SER A 12 7.702 15.526 2.464 1.00 0.00 C ATOM 146 OG SER A 12 8.157 14.205 2.672 1.00 0.00 O ATOM 0 H SER A 12 6.973 17.673 1.735 1.00 0.00 H new ATOM 0 HA SER A 12 8.642 15.678 0.533 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.356 16.224 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.706 15.641 2.892 1.00 0.00 H new ATOM 0 HG SER A 12 8.172 14.012 3.633 1.00 0.00 H new ATOM 152 N ALA A 13 6.979 13.798 -0.117 1.00 0.00 N ATOM 153 CA ALA A 13 6.029 12.895 -0.754 1.00 0.00 C ATOM 154 C ALA A 13 4.838 12.739 0.199 1.00 0.00 C ATOM 155 O ALA A 13 3.751 12.343 -0.220 1.00 0.00 O ATOM 156 CB ALA A 13 6.676 11.536 -1.030 1.00 0.00 C ATOM 0 H ALA A 13 7.908 13.403 0.027 1.00 0.00 H new ATOM 0 HA ALA A 13 5.704 13.299 -1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.950 10.877 -1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.533 11.668 -1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.007 11.093 -0.091 1.00 0.00 H new ATOM 162 N SER A 14 5.057 13.076 1.484 1.00 0.00 N ATOM 163 CA SER A 14 4.049 13.016 2.527 1.00 0.00 C ATOM 164 C SER A 14 3.061 14.161 2.296 1.00 0.00 C ATOM 165 O SER A 14 1.850 13.950 2.323 1.00 0.00 O ATOM 166 CB SER A 14 4.725 13.123 3.897 1.00 0.00 C ATOM 167 OG SER A 14 3.757 13.050 4.921 1.00 0.00 O ATOM 0 H SER A 14 5.963 13.403 1.820 1.00 0.00 H new ATOM 0 HA SER A 14 3.509 12.069 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.453 12.321 4.016 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.272 14.063 3.969 1.00 0.00 H new ATOM 0 HG SER A 14 4.198 13.118 5.794 1.00 0.00 H new ATOM 173 N GLN A 15 3.588 15.371 2.057 1.00 0.00 N ATOM 174 CA GLN A 15 2.813 16.576 1.813 1.00 0.00 C ATOM 175 C GLN A 15 2.133 16.595 0.446 1.00 0.00 C ATOM 176 O GLN A 15 1.083 17.229 0.321 1.00 0.00 O ATOM 177 CB GLN A 15 3.663 17.831 2.037 1.00 0.00 C ATOM 178 CG GLN A 15 3.832 18.200 3.517 1.00 0.00 C ATOM 179 CD GLN A 15 2.681 19.076 4.018 1.00 0.00 C ATOM 180 OE1 GLN A 15 2.790 20.301 4.013 1.00 0.00 O ATOM 181 NE2 GLN A 15 1.580 18.459 4.454 1.00 0.00 N ATOM 0 H GLN A 15 4.595 15.533 2.029 1.00 0.00 H new ATOM 0 HA GLN A 15 2.005 16.573 2.544 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.647 17.677 1.594 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.205 18.669 1.512 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.884 17.290 4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.776 18.726 3.655 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.528 17.440 4.442 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.791 19.006 4.799 1.00 0.00 H new ATOM 190 N VAL A 16 2.686 15.920 -0.574 1.00 0.00 N ATOM 191 CA VAL A 16 2.037 15.909 -1.873 1.00 0.00 C ATOM 192 C VAL A 16 0.774 15.058 -1.695 1.00 0.00 C ATOM 193 O VAL A 16 -0.325 15.486 -2.033 1.00 0.00 O ATOM 194 CB VAL A 16 2.847 15.284 -3.009 1.00 0.00 C ATOM 195 CG1 VAL A 16 1.986 15.538 -4.253 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.225 15.938 -3.139 1.00 0.00 C ATOM 0 H VAL A 16 3.557 15.392 -0.519 1.00 0.00 H new ATOM 0 HA VAL A 16 1.871 16.946 -2.163 1.00 0.00 H new ATOM 0 HB VAL A 16 3.049 14.225 -2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.483 15.124 -5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.015 15.060 -4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.847 16.611 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.774 15.470 -3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.105 17.002 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.778 15.809 -2.209 1.00 0.00 H new ATOM 206 N ARG A 17 0.977 13.848 -1.145 1.00 0.00 N ATOM 207 CA ARG A 17 -0.041 12.843 -0.894 1.00 0.00 C ATOM 208 C ARG A 17 -1.131 13.378 0.026 1.00 0.00 C ATOM 209 O ARG A 17 -2.291 13.020 -0.139 1.00 0.00 O ATOM 210 CB ARG A 17 0.620 11.584 -0.318 1.00 0.00 C ATOM 211 CG ARG A 17 -0.366 10.410 -0.260 1.00 0.00 C ATOM 212 CD ARG A 17 0.304 9.163 0.320 1.00 0.00 C ATOM 213 NE ARG A 17 -0.618 8.020 0.276 1.00 0.00 N ATOM 214 CZ ARG A 17 -0.764 7.066 1.211 1.00 0.00 C ATOM 215 NH1 ARG A 17 -0.024 7.053 2.332 1.00 0.00 N ATOM 216 NH2 ARG A 17 -1.672 6.099 1.013 1.00 0.00 N ATOM 0 H ARG A 17 1.905 13.541 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.527 12.583 -1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.479 11.310 -0.930 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.997 11.795 0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.227 10.683 0.351 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.740 10.194 -1.261 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.207 8.932 -0.244 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.610 9.352 1.349 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.210 7.942 -0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.672 7.781 2.492 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.158 6.315 3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.237 6.096 0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.797 5.366 1.711 1.00 0.00 H new ATOM 230 N ALA A 18 -0.763 14.222 0.999 1.00 0.00 N ATOM 231 CA ALA A 18 -1.725 14.816 1.914 1.00 0.00 C ATOM 232 C ALA A 18 -2.659 15.723 1.112 1.00 0.00 C ATOM 233 O ALA A 18 -3.880 15.583 1.182 1.00 0.00 O ATOM 234 CB ALA A 18 -0.998 15.598 3.011 1.00 0.00 C ATOM 0 H ALA A 18 0.202 14.505 1.167 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.312 14.038 2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.729 16.038 3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.346 14.924 3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.401 16.390 2.559 1.00 0.00 H new ATOM 240 N ALA A 19 -2.064 16.639 0.335 1.00 0.00 N ATOM 241 CA ALA A 19 -2.781 17.594 -0.489 1.00 0.00 C ATOM 242 C ALA A 19 -3.658 16.908 -1.526 1.00 0.00 C ATOM 243 O ALA A 19 -4.763 17.375 -1.791 1.00 0.00 O ATOM 244 CB ALA A 19 -1.798 18.539 -1.172 1.00 0.00 C ATOM 0 H ALA A 19 -1.050 16.730 0.268 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.438 18.166 0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.347 19.252 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.226 19.077 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.118 17.964 -1.801 1.00 0.00 H new ATOM 250 N ALA A 20 -3.169 15.803 -2.098 1.00 0.00 N ATOM 251 CA ALA A 20 -3.892 15.065 -3.115 1.00 0.00 C ATOM 252 C ALA A 20 -5.014 14.224 -2.546 1.00 0.00 C ATOM 253 O ALA A 20 -6.109 14.252 -3.097 1.00 0.00 O ATOM 254 CB ALA A 20 -2.931 14.277 -4.007 1.00 0.00 C ATOM 0 H ALA A 20 -2.261 15.403 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.391 15.792 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.499 13.732 -4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.243 14.965 -4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.366 13.571 -3.398 1.00 0.00 H new ATOM 260 N ASN A 21 -4.774 13.487 -1.460 1.00 0.00 N ATOM 261 CA ASN A 21 -5.817 12.693 -0.830 1.00 0.00 C ATOM 262 C ASN A 21 -6.918 13.644 -0.338 1.00 0.00 C ATOM 263 O ASN A 21 -8.066 13.232 -0.176 1.00 0.00 O ATOM 264 CB ASN A 21 -5.215 11.877 0.325 1.00 0.00 C ATOM 265 CG ASN A 21 -6.216 10.927 0.986 1.00 0.00 C ATOM 266 OD1 ASN A 21 -7.214 10.539 0.381 1.00 0.00 O ATOM 267 ND2 ASN A 21 -5.940 10.542 2.235 1.00 0.00 N ATOM 0 H ASN A 21 -3.864 13.427 -1.002 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.252 11.989 -1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.370 11.299 -0.050 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.824 12.561 1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.568 9.903 2.722 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.101 10.887 2.701 1.00 0.00 H new ATOM 274 N ALA A 22 -6.577 14.929 -0.125 1.00 0.00 N ATOM 275 CA ALA A 22 -7.540 15.902 0.365 1.00 0.00 C ATOM 276 C ALA A 22 -8.354 16.313 -0.848 1.00 0.00 C ATOM 277 O ALA A 22 -9.576 16.227 -0.824 1.00 0.00 O ATOM 278 CB ALA A 22 -6.847 17.082 1.025 1.00 0.00 C ATOM 0 H ALA A 22 -5.643 15.305 -0.287 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.183 15.484 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.595 17.791 1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.252 16.730 1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.196 17.573 0.301 1.00 0.00 H new ATOM 284 N ALA A 23 -7.651 16.772 -1.892 1.00 0.00 N ATOM 285 CA ALA A 23 -8.238 17.151 -3.174 1.00 0.00 C ATOM 286 C ALA A 23 -9.248 16.099 -3.657 1.00 0.00 C ATOM 287 O ALA A 23 -10.321 16.459 -4.137 1.00 0.00 O ATOM 288 CB ALA A 23 -7.134 17.308 -4.223 1.00 0.00 C ATOM 0 H ALA A 23 -6.638 16.891 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.761 18.097 -3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.577 17.591 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.436 18.082 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.602 16.363 -4.335 1.00 0.00 H new ATOM 294 N CYS A 24 -8.907 14.805 -3.524 1.00 0.00 N ATOM 295 CA CYS A 24 -9.761 13.688 -3.914 1.00 0.00 C ATOM 296 C CYS A 24 -11.055 13.704 -3.110 1.00 0.00 C ATOM 297 O CYS A 24 -12.147 13.673 -3.678 1.00 0.00 O ATOM 298 CB CYS A 24 -9.090 12.333 -3.648 1.00 0.00 C ATOM 299 SG CYS A 24 -7.522 11.987 -4.468 1.00 0.00 S ATOM 0 H CYS A 24 -8.012 14.509 -3.134 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.952 13.805 -4.981 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.931 12.245 -2.573 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.794 11.551 -3.931 1.00 0.00 H new ATOM 304 N GLN A 25 -10.909 13.760 -1.779 1.00 0.00 N ATOM 305 CA GLN A 25 -12.023 13.759 -0.854 1.00 0.00 C ATOM 306 C GLN A 25 -12.950 14.946 -1.099 1.00 0.00 C ATOM 307 O GLN A 25 -14.166 14.788 -1.068 1.00 0.00 O ATOM 308 CB GLN A 25 -11.502 13.718 0.589 1.00 0.00 C ATOM 309 CG GLN A 25 -11.034 12.306 0.959 1.00 0.00 C ATOM 310 CD GLN A 25 -10.371 12.287 2.334 1.00 0.00 C ATOM 311 OE1 GLN A 25 -9.158 12.122 2.437 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.171 12.456 3.391 1.00 0.00 N ATOM 0 H GLN A 25 -9.999 13.808 -1.321 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.620 12.863 -1.022 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.677 14.421 0.702 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.288 14.036 1.273 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.885 11.625 0.953 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.331 11.945 0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.173 12.590 3.256 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.779 12.451 4.333 1.00 0.00 H new ATOM 321 N TYR A 26 -12.374 16.124 -1.358 1.00 0.00 N ATOM 322 CA TYR A 26 -13.128 17.340 -1.593 1.00 0.00 C ATOM 323 C TYR A 26 -13.884 17.299 -2.919 1.00 0.00 C ATOM 324 O TYR A 26 -15.023 17.749 -2.955 1.00 0.00 O ATOM 325 CB TYR A 26 -12.213 18.574 -1.566 1.00 0.00 C ATOM 326 CG TYR A 26 -11.739 19.026 -0.197 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.680 19.336 0.805 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.363 19.153 0.078 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.249 19.765 2.072 1.00 0.00 C ATOM 330 CE2 TYR A 26 -9.934 19.583 1.346 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.876 19.890 2.343 1.00 0.00 C ATOM 332 OH TYR A 26 -10.457 20.311 3.572 1.00 0.00 O ATOM 0 H TYR A 26 -11.363 16.252 -1.409 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.856 17.413 -0.785 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.337 18.365 -2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -12.742 19.403 -2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.736 19.244 0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -9.637 18.920 -0.686 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.974 19.999 2.838 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.879 19.678 1.554 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.199 21.255 3.524 1.00 0.00 H new ATOM 342 N TYR A 27 -13.287 16.763 -3.994 1.00 0.00 N ATOM 343 CA TYR A 27 -13.946 16.740 -5.297 1.00 0.00 C ATOM 344 C TYR A 27 -15.010 15.653 -5.485 1.00 0.00 C ATOM 345 O TYR A 27 -15.976 15.922 -6.200 1.00 0.00 O ATOM 346 CB TYR A 27 -12.928 16.701 -6.462 1.00 0.00 C ATOM 347 CG TYR A 27 -13.563 17.000 -7.817 1.00 0.00 C ATOM 348 CD1 TYR A 27 -14.273 18.207 -8.006 1.00 0.00 C ATOM 349 CD2 TYR A 27 -13.467 16.078 -8.884 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.886 18.483 -9.241 1.00 0.00 C ATOM 351 CE2 TYR A 27 -14.089 16.357 -10.114 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.807 17.552 -10.291 1.00 0.00 C ATOM 353 OH TYR A 27 -15.412 17.813 -11.486 1.00 0.00 O ATOM 0 H TYR A 27 -12.357 16.344 -3.982 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.491 17.684 -5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.136 17.425 -6.270 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.459 15.717 -6.495 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.345 18.921 -7.198 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.916 15.158 -8.755 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.418 19.412 -9.383 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.015 15.649 -10.927 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.258 17.066 -12.101 1.00 0.00 H new ATOM 363 N GLN A 28 -14.882 14.459 -4.872 1.00 0.00 N ATOM 364 CA GLN A 28 -15.855 13.384 -5.093 1.00 0.00 C ATOM 365 C GLN A 28 -16.342 12.584 -3.876 1.00 0.00 C ATOM 366 O GLN A 28 -17.544 12.339 -3.772 1.00 0.00 O ATOM 367 CB GLN A 28 -15.261 12.400 -6.114 1.00 0.00 C ATOM 368 CG GLN A 28 -15.030 13.038 -7.492 1.00 0.00 C ATOM 369 CD GLN A 28 -14.305 12.094 -8.447 1.00 0.00 C ATOM 370 OE1 GLN A 28 -13.171 12.363 -8.834 1.00 0.00 O ATOM 371 NE2 GLN A 28 -14.953 10.992 -8.834 1.00 0.00 N ATOM 0 H GLN A 28 -14.125 14.222 -4.231 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.749 13.906 -5.434 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.315 12.016 -5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.931 11.547 -6.222 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.989 13.324 -7.924 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.448 13.952 -7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.895 10.806 -8.489 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.506 10.336 -9.475 1.00 0.00 H new ATOM 380 N ASN A 29 -15.460 12.178 -2.953 1.00 0.00 N ATOM 381 CA ASN A 29 -15.847 11.354 -1.806 1.00 0.00 C ATOM 382 C ASN A 29 -16.687 12.072 -0.744 1.00 0.00 C ATOM 383 O ASN A 29 -17.409 11.410 -0.001 1.00 0.00 O ATOM 384 CB ASN A 29 -14.596 10.729 -1.173 1.00 0.00 C ATOM 385 CG ASN A 29 -14.881 9.529 -0.267 1.00 0.00 C ATOM 386 OD1 ASN A 29 -15.943 8.913 -0.342 1.00 0.00 O ATOM 387 ND2 ASN A 29 -13.918 9.189 0.595 1.00 0.00 N ATOM 0 H ASN A 29 -14.467 12.410 -2.982 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.505 10.581 -2.205 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.919 10.417 -1.968 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.077 11.492 -0.593 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.051 8.394 1.220 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.050 9.724 0.628 1.00 0.00 H new ATOM 394 N ASP A 30 -16.614 13.404 -0.670 1.00 0.00 N ATOM 395 CA ASP A 30 -17.342 14.182 0.318 1.00 0.00 C ATOM 396 C ASP A 30 -17.332 15.653 -0.086 1.00 0.00 C ATOM 397 O ASP A 30 -16.334 16.353 0.078 1.00 0.00 O ATOM 398 CB ASP A 30 -16.791 13.952 1.739 1.00 0.00 C ATOM 399 CG ASP A 30 -15.264 13.977 1.829 1.00 0.00 C ATOM 400 OD1 ASP A 30 -14.718 15.081 2.044 1.00 0.00 O ATOM 401 OD2 ASP A 30 -14.669 12.886 1.689 1.00 0.00 O ATOM 0 H ASP A 30 -16.044 13.969 -1.300 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.379 13.847 0.345 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -17.196 14.717 2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.150 12.990 2.105 1.00 0.00 H new ATOM 406 N ASP A 31 -18.469 16.094 -0.634 1.00 0.00 N ATOM 407 CA ASP A 31 -18.748 17.455 -1.080 1.00 0.00 C ATOM 408 C ASP A 31 -18.078 17.744 -2.424 1.00 0.00 C ATOM 409 O ASP A 31 -17.632 16.827 -3.114 1.00 0.00 O ATOM 410 CB ASP A 31 -18.400 18.490 0.009 1.00 0.00 C ATOM 411 CG ASP A 31 -18.903 18.083 1.394 1.00 0.00 C ATOM 412 OD1 ASP A 31 -20.139 18.103 1.578 1.00 0.00 O ATOM 413 OD2 ASP A 31 -18.044 17.756 2.244 1.00 0.00 O ATOM 0 H ASP A 31 -19.263 15.471 -0.785 1.00 0.00 H new ATOM 0 HA ASP A 31 -19.821 17.546 -1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -17.319 18.624 0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.832 19.454 -0.261 1.00 0.00 H new ATOM 418 N THR A 32 -18.030 19.033 -2.783 1.00 0.00 N ATOM 419 CA THR A 32 -17.429 19.557 -4.000 1.00 0.00 C ATOM 420 C THR A 32 -16.375 20.604 -3.627 1.00 0.00 C ATOM 421 O THR A 32 -15.191 20.405 -3.894 1.00 0.00 O ATOM 422 CB THR A 32 -18.519 20.144 -4.912 1.00 0.00 C ATOM 423 OG1 THR A 32 -19.324 21.074 -4.214 1.00 0.00 O ATOM 424 CG2 THR A 32 -19.419 19.039 -5.477 1.00 0.00 C ATOM 0 H THR A 32 -18.430 19.768 -2.200 1.00 0.00 H new ATOM 0 HA THR A 32 -16.937 18.757 -4.553 1.00 0.00 H new ATOM 0 HB THR A 32 -18.009 20.651 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 32 -20.007 21.433 -4.818 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.181 19.482 -6.118 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.817 18.341 -6.058 1.00 0.00 H new ATOM 0 HG23 THR A 32 -19.900 18.507 -4.657 1.00 0.00 H new ATOM 432 N ALA A 33 -16.821 21.708 -3.010 1.00 0.00 N ATOM 433 CA ALA A 33 -16.016 22.839 -2.567 1.00 0.00 C ATOM 434 C ALA A 33 -15.131 23.387 -3.686 1.00 0.00 C ATOM 435 O ALA A 33 -13.995 22.957 -3.866 1.00 0.00 O ATOM 436 CB ALA A 33 -15.208 22.494 -1.320 1.00 0.00 C ATOM 0 H ALA A 33 -17.811 21.836 -2.798 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.706 23.638 -2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -14.619 23.360 -1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.886 22.215 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.541 21.660 -1.538 1.00 0.00 H new ATOM 442 N GLY A 34 -15.671 24.358 -4.421 1.00 0.00 N ATOM 443 CA GLY A 34 -15.007 24.999 -5.544 1.00 0.00 C ATOM 444 C GLY A 34 -15.491 26.435 -5.712 1.00 0.00 C ATOM 445 O GLY A 34 -16.136 26.984 -4.819 1.00 0.00 O ATOM 0 H GLY A 34 -16.606 24.726 -4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.928 24.990 -5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.201 24.436 -6.457 1.00 0.00 H new ATOM 449 N SER A 35 -15.157 27.032 -6.865 1.00 0.00 N ATOM 450 CA SER A 35 -15.493 28.399 -7.252 1.00 0.00 C ATOM 451 C SER A 35 -14.713 29.469 -6.477 1.00 0.00 C ATOM 452 O SER A 35 -14.754 30.636 -6.867 1.00 0.00 O ATOM 453 CB SER A 35 -17.007 28.659 -7.176 1.00 0.00 C ATOM 454 OG SER A 35 -17.727 27.667 -7.877 1.00 0.00 O ATOM 0 H SER A 35 -14.620 26.547 -7.584 1.00 0.00 H new ATOM 0 HA SER A 35 -15.181 28.488 -8.293 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.325 28.676 -6.133 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.232 29.640 -7.594 1.00 0.00 H new ATOM 0 HG SER A 35 -18.687 27.853 -7.813 1.00 0.00 H new ATOM 460 N SER A 36 -14.005 29.097 -5.399 1.00 0.00 N ATOM 461 CA SER A 36 -13.244 30.021 -4.572 1.00 0.00 C ATOM 462 C SER A 36 -12.020 29.348 -3.950 1.00 0.00 C ATOM 463 O SER A 36 -10.939 29.936 -3.948 1.00 0.00 O ATOM 464 CB SER A 36 -14.145 30.562 -3.453 1.00 0.00 C ATOM 465 OG SER A 36 -15.237 31.283 -3.986 1.00 0.00 O ATOM 0 H SER A 36 -13.950 28.130 -5.080 1.00 0.00 H new ATOM 0 HA SER A 36 -12.896 30.834 -5.210 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.512 29.735 -2.845 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.565 31.208 -2.794 1.00 0.00 H new ATOM 0 HG SER A 36 -15.797 31.616 -3.254 1.00 0.00 H new ATOM 471 N THR A 37 -12.188 28.121 -3.440 1.00 0.00 N ATOM 472 CA THR A 37 -11.137 27.364 -2.776 1.00 0.00 C ATOM 473 C THR A 37 -10.516 26.226 -3.588 1.00 0.00 C ATOM 474 O THR A 37 -9.390 25.856 -3.262 1.00 0.00 O ATOM 475 CB THR A 37 -11.702 26.775 -1.473 1.00 0.00 C ATOM 476 OG1 THR A 37 -12.779 25.906 -1.759 1.00 0.00 O ATOM 477 CG2 THR A 37 -12.154 27.867 -0.497 1.00 0.00 C ATOM 0 H THR A 37 -13.078 27.624 -3.482 1.00 0.00 H new ATOM 0 HA THR A 37 -10.331 28.079 -2.612 1.00 0.00 H new ATOM 0 HB THR A 37 -10.899 26.216 -0.992 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.131 25.535 -0.923 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.546 27.405 0.409 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.305 28.502 -0.243 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.933 28.471 -0.962 1.00 0.00 H new ATOM 485 N TYR A 38 -11.205 25.669 -4.604 1.00 0.00 N ATOM 486 CA TYR A 38 -10.735 24.535 -5.418 1.00 0.00 C ATOM 487 C TYR A 38 -10.961 23.296 -4.526 1.00 0.00 C ATOM 488 O TYR A 38 -10.938 23.416 -3.300 1.00 0.00 O ATOM 489 CB TYR A 38 -9.271 24.674 -5.894 1.00 0.00 C ATOM 490 CG TYR A 38 -8.841 25.901 -6.702 1.00 0.00 C ATOM 491 CD1 TYR A 38 -9.664 27.034 -6.894 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.559 25.891 -7.288 1.00 0.00 C ATOM 493 CE1 TYR A 38 -9.203 28.127 -7.649 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.099 26.980 -8.043 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.921 28.102 -8.225 1.00 0.00 C ATOM 496 OH TYR A 38 -7.482 29.158 -8.968 1.00 0.00 O ATOM 0 H TYR A 38 -12.126 26.005 -4.886 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.285 24.470 -6.357 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.637 24.631 -5.008 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.041 23.794 -6.494 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.652 27.060 -6.459 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.920 25.031 -7.153 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.837 28.990 -7.787 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.113 26.955 -8.484 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.575 28.976 -9.290 1.00 0.00 H new ATOM 506 N PRO A 39 -11.176 22.086 -5.063 1.00 0.00 N ATOM 507 CA PRO A 39 -11.181 21.697 -6.460 1.00 0.00 C ATOM 508 C PRO A 39 -12.400 22.159 -7.256 1.00 0.00 C ATOM 509 O PRO A 39 -13.498 22.329 -6.730 1.00 0.00 O ATOM 510 CB PRO A 39 -11.087 20.168 -6.440 1.00 0.00 C ATOM 511 CG PRO A 39 -11.825 19.807 -5.156 1.00 0.00 C ATOM 512 CD PRO A 39 -11.416 20.930 -4.217 1.00 0.00 C ATOM 0 HA PRO A 39 -10.351 22.181 -6.975 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.556 19.721 -7.317 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.052 19.826 -6.423 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.904 19.774 -5.304 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.525 18.830 -4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.200 21.135 -3.488 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.520 20.664 -3.656 1.00 0.00 H new ATOM 520 N HIS A 40 -12.141 22.353 -8.553 1.00 0.00 N ATOM 521 CA HIS A 40 -13.052 22.766 -9.606 1.00 0.00 C ATOM 522 C HIS A 40 -12.390 22.340 -10.917 1.00 0.00 C ATOM 523 O HIS A 40 -11.172 22.170 -10.956 1.00 0.00 O ATOM 524 CB HIS A 40 -13.302 24.278 -9.571 1.00 0.00 C ATOM 525 CG HIS A 40 -12.091 25.099 -9.929 1.00 0.00 C ATOM 526 ND1 HIS A 40 -12.059 25.951 -11.023 1.00 0.00 N ATOM 527 CD2 HIS A 40 -10.849 25.202 -9.355 1.00 0.00 C ATOM 528 CE1 HIS A 40 -10.844 26.525 -11.044 1.00 0.00 C ATOM 529 NE2 HIS A 40 -10.060 26.114 -10.047 1.00 0.00 N ATOM 0 H HIS A 40 -11.199 22.210 -8.918 1.00 0.00 H new ATOM 0 HA HIS A 40 -14.032 22.304 -9.486 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.111 24.520 -10.260 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.639 24.559 -8.573 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.528 24.650 -8.484 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -10.535 27.243 -11.789 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -9.104 26.402 -9.840 1.00 0.00 H new ATOM 537 N THR A 41 -13.175 22.181 -11.988 1.00 0.00 N ATOM 538 CA THR A 41 -12.673 21.750 -13.288 1.00 0.00 C ATOM 539 C THR A 41 -11.507 22.597 -13.815 1.00 0.00 C ATOM 540 O THR A 41 -11.404 23.790 -13.527 1.00 0.00 O ATOM 541 CB THR A 41 -13.820 21.641 -14.297 1.00 0.00 C ATOM 542 OG1 THR A 41 -13.398 20.917 -15.435 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.292 23.023 -14.734 1.00 0.00 C ATOM 0 H THR A 41 -14.181 22.350 -11.973 1.00 0.00 H new ATOM 0 HA THR A 41 -12.247 20.757 -13.146 1.00 0.00 H new ATOM 0 HB THR A 41 -14.646 21.120 -13.812 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.138 20.851 -16.074 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.107 22.919 -15.450 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.642 23.580 -13.865 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.465 23.559 -15.200 1.00 0.00 H new ATOM 551 N TYR A 42 -10.633 21.945 -14.590 1.00 0.00 N ATOM 552 CA TYR A 42 -9.459 22.528 -15.222 1.00 0.00 C ATOM 553 C TYR A 42 -9.851 23.077 -16.599 1.00 0.00 C ATOM 554 O TYR A 42 -10.892 22.710 -17.144 1.00 0.00 O ATOM 555 CB TYR A 42 -8.371 21.449 -15.323 1.00 0.00 C ATOM 556 CG TYR A 42 -7.054 21.906 -15.924 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.189 22.733 -15.182 1.00 0.00 C ATOM 558 CD2 TYR A 42 -6.685 21.500 -17.221 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.963 23.148 -15.733 1.00 0.00 C ATOM 560 CE2 TYR A 42 -5.461 21.917 -17.772 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.598 22.739 -17.027 1.00 0.00 C ATOM 562 OH TYR A 42 -3.402 23.132 -17.558 1.00 0.00 O ATOM 0 H TYR A 42 -10.735 20.952 -14.799 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.065 23.357 -14.633 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.178 21.057 -14.324 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.757 20.623 -15.921 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.467 23.049 -14.188 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.345 20.866 -17.794 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.301 23.782 -15.161 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.184 21.606 -18.768 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.307 22.760 -18.460 1.00 0.00 H new ATOM 572 N ASN A 43 -9.017 23.962 -17.159 1.00 0.00 N ATOM 573 CA ASN A 43 -9.247 24.591 -18.453 1.00 0.00 C ATOM 574 C ASN A 43 -9.256 23.565 -19.587 1.00 0.00 C ATOM 575 O ASN A 43 -8.426 22.657 -19.608 1.00 0.00 O ATOM 576 CB ASN A 43 -8.160 25.644 -18.708 1.00 0.00 C ATOM 577 CG ASN A 43 -8.166 26.726 -17.630 1.00 0.00 C ATOM 578 OD1 ASN A 43 -7.308 26.727 -16.750 1.00 0.00 O ATOM 579 ND2 ASN A 43 -9.138 27.641 -17.696 1.00 0.00 N ATOM 0 H ASN A 43 -8.150 24.262 -16.713 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.228 25.066 -18.431 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.183 25.161 -18.735 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.317 26.101 -19.685 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.190 28.382 -16.996 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.828 27.599 -18.446 1.00 0.00 H new ATOM 586 N ASN A 44 -10.203 23.715 -20.525 1.00 0.00 N ATOM 587 CA ASN A 44 -10.342 22.841 -21.682 1.00 0.00 C ATOM 588 C ASN A 44 -9.063 22.914 -22.514 1.00 0.00 C ATOM 589 O ASN A 44 -8.502 21.880 -22.874 1.00 0.00 O ATOM 590 CB ASN A 44 -11.565 23.255 -22.510 1.00 0.00 C ATOM 591 CG ASN A 44 -11.706 22.406 -23.771 1.00 0.00 C ATOM 592 OD1 ASN A 44 -11.530 22.907 -24.880 1.00 0.00 O ATOM 593 ND2 ASN A 44 -12.014 21.118 -23.605 1.00 0.00 N ATOM 0 H ASN A 44 -10.900 24.459 -20.494 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.494 21.812 -21.357 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.465 23.158 -21.903 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -11.479 24.306 -22.786 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.112 20.508 -24.417 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -12.151 20.743 -22.666 1.00 0.00 H new ATOM 600 N TYR A 45 -8.622 24.143 -22.816 1.00 0.00 N ATOM 601 CA TYR A 45 -7.409 24.408 -23.569 1.00 0.00 C ATOM 602 C TYR A 45 -6.233 23.790 -22.816 1.00 0.00 C ATOM 603 O TYR A 45 -6.161 23.894 -21.591 1.00 0.00 O ATOM 604 CB TYR A 45 -7.226 25.924 -23.725 1.00 0.00 C ATOM 605 CG TYR A 45 -5.891 26.339 -24.316 1.00 0.00 C ATOM 606 CD1 TYR A 45 -5.528 25.907 -25.606 1.00 0.00 C ATOM 607 CD2 TYR A 45 -5.008 27.149 -23.576 1.00 0.00 C ATOM 608 CE1 TYR A 45 -4.287 26.280 -26.151 1.00 0.00 C ATOM 609 CE2 TYR A 45 -3.768 27.521 -24.121 1.00 0.00 C ATOM 610 CZ TYR A 45 -3.405 27.084 -25.406 1.00 0.00 C ATOM 611 OH TYR A 45 -2.200 27.447 -25.935 1.00 0.00 O ATOM 0 H TYR A 45 -9.115 24.990 -22.534 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.468 23.970 -24.565 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.025 26.311 -24.358 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.338 26.393 -22.748 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.204 25.288 -26.178 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.285 27.485 -22.588 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.011 25.949 -27.141 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.093 28.143 -23.552 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.714 28.003 -25.291 1.00 0.00 H new ATOM 621 N GLU A 46 -5.323 23.142 -23.553 1.00 0.00 N ATOM 622 CA GLU A 46 -4.162 22.485 -22.978 1.00 0.00 C ATOM 623 C GLU A 46 -3.138 23.504 -22.485 1.00 0.00 C ATOM 624 O GLU A 46 -2.245 23.909 -23.227 1.00 0.00 O ATOM 625 CB GLU A 46 -3.544 21.504 -23.987 1.00 0.00 C ATOM 626 CG GLU A 46 -4.464 20.315 -24.294 1.00 0.00 C ATOM 627 CD GLU A 46 -4.736 19.460 -23.057 1.00 0.00 C ATOM 628 OE1 GLU A 46 -3.795 18.755 -22.631 1.00 0.00 O ATOM 629 OE2 GLU A 46 -5.879 19.530 -22.554 1.00 0.00 O ATOM 0 H GLU A 46 -5.379 23.063 -24.568 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.488 21.912 -22.110 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.320 22.034 -24.913 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.597 21.134 -23.595 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.409 20.683 -24.694 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.009 19.697 -25.068 1.00 0.00 H new ATOM 636 N GLY A 47 -3.292 23.919 -21.221 1.00 0.00 N ATOM 637 CA GLY A 47 -2.393 24.851 -20.562 1.00 0.00 C ATOM 638 C GLY A 47 -1.072 24.136 -20.270 1.00 0.00 C ATOM 639 O GLY A 47 -0.018 24.769 -20.240 1.00 0.00 O ATOM 0 H GLY A 47 -4.059 23.607 -20.626 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.220 25.721 -21.196 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.838 25.215 -19.636 1.00 0.00 H new ATOM 643 N PHE A 48 -1.142 22.813 -20.062 1.00 0.00 N ATOM 644 CA PHE A 48 -0.010 21.948 -19.793 1.00 0.00 C ATOM 645 C PHE A 48 -0.269 20.540 -20.323 1.00 0.00 C ATOM 646 O PHE A 48 -1.403 20.171 -20.624 1.00 0.00 O ATOM 647 CB PHE A 48 0.267 21.902 -18.285 1.00 0.00 C ATOM 648 CG PHE A 48 1.510 22.663 -17.901 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.769 22.092 -18.160 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.415 23.931 -17.303 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.936 22.794 -17.824 1.00 0.00 C ATOM 652 CE2 PHE A 48 2.586 24.634 -16.967 1.00 0.00 C ATOM 653 CZ PHE A 48 3.844 24.067 -17.239 1.00 0.00 C ATOM 0 H PHE A 48 -2.028 22.308 -20.080 1.00 0.00 H new ATOM 0 HA PHE A 48 0.864 22.352 -20.304 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.588 22.315 -17.749 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.369 20.864 -17.969 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.837 21.116 -18.616 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.446 24.364 -17.102 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.904 22.356 -18.015 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.519 25.606 -16.502 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.744 24.613 -16.997 1.00 0.00 H new ATOM 663 N ASP A 49 0.822 19.770 -20.425 1.00 0.00 N ATOM 664 CA ASP A 49 0.844 18.390 -20.878 1.00 0.00 C ATOM 665 C ASP A 49 1.332 17.526 -19.720 1.00 0.00 C ATOM 666 O ASP A 49 2.433 17.743 -19.215 1.00 0.00 O ATOM 667 CB ASP A 49 1.767 18.249 -22.090 1.00 0.00 C ATOM 668 CG ASP A 49 1.274 19.086 -23.268 1.00 0.00 C ATOM 669 OD1 ASP A 49 0.387 18.583 -23.990 1.00 0.00 O ATOM 670 OD2 ASP A 49 1.787 20.217 -23.420 1.00 0.00 O ATOM 0 H ASP A 49 1.750 20.116 -20.181 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.152 18.070 -21.184 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.776 18.559 -21.819 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.824 17.201 -22.385 1.00 0.00 H new ATOM 675 N PHE A 50 0.511 16.549 -19.315 1.00 0.00 N ATOM 676 CA PHE A 50 0.788 15.630 -18.216 1.00 0.00 C ATOM 677 C PHE A 50 0.812 14.190 -18.745 1.00 0.00 C ATOM 678 O PHE A 50 0.235 13.929 -19.799 1.00 0.00 O ATOM 679 CB PHE A 50 -0.277 15.812 -17.122 1.00 0.00 C ATOM 680 CG PHE A 50 -0.453 17.232 -16.602 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.660 18.070 -16.378 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.748 17.715 -16.330 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.476 19.375 -15.887 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.931 19.020 -15.839 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.820 19.853 -15.618 1.00 0.00 C ATOM 0 H PHE A 50 -0.390 16.375 -19.760 1.00 0.00 H new ATOM 0 HA PHE A 50 1.764 15.844 -17.781 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.234 15.466 -17.512 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.023 15.166 -16.282 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.656 17.708 -16.584 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.605 17.080 -16.499 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.331 20.012 -15.716 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.927 19.383 -15.631 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.961 20.856 -15.243 1.00 0.00 H new ATOM 695 N PRO A 51 1.475 13.247 -18.045 1.00 0.00 N ATOM 696 CA PRO A 51 1.571 11.848 -18.454 1.00 0.00 C ATOM 697 C PRO A 51 0.221 11.184 -18.747 1.00 0.00 C ATOM 698 O PRO A 51 0.129 10.358 -19.655 1.00 0.00 O ATOM 699 CB PRO A 51 2.277 11.125 -17.301 1.00 0.00 C ATOM 700 CG PRO A 51 3.108 12.226 -16.654 1.00 0.00 C ATOM 701 CD PRO A 51 2.206 13.448 -16.801 1.00 0.00 C ATOM 0 HA PRO A 51 2.116 11.789 -19.396 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.563 10.694 -16.599 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.902 10.308 -17.661 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.329 12.007 -15.609 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.064 12.364 -17.160 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.524 13.536 -15.955 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.792 14.366 -16.835 1.00 0.00 H new ATOM 709 N VAL A 52 -0.814 11.561 -17.984 1.00 0.00 N ATOM 710 CA VAL A 52 -2.172 11.035 -18.077 1.00 0.00 C ATOM 711 C VAL A 52 -3.154 12.072 -18.637 1.00 0.00 C ATOM 712 O VAL A 52 -2.855 13.266 -18.684 1.00 0.00 O ATOM 713 CB VAL A 52 -2.612 10.542 -16.687 1.00 0.00 C ATOM 714 CG1 VAL A 52 -1.800 9.310 -16.269 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.472 11.634 -15.618 1.00 0.00 C ATOM 0 H VAL A 52 -0.718 12.270 -17.257 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.177 10.201 -18.778 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.666 10.276 -16.764 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.126 8.977 -15.284 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.955 8.510 -16.992 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.741 9.567 -16.233 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.794 11.242 -14.653 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.430 11.948 -15.553 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.093 12.489 -15.887 1.00 0.00 H new ATOM 725 N ASP A 53 -4.333 11.585 -19.052 1.00 0.00 N ATOM 726 CA ASP A 53 -5.428 12.372 -19.606 1.00 0.00 C ATOM 727 C ASP A 53 -6.441 12.717 -18.509 1.00 0.00 C ATOM 728 O ASP A 53 -6.493 12.053 -17.474 1.00 0.00 O ATOM 729 CB ASP A 53 -6.097 11.565 -20.730 1.00 0.00 C ATOM 730 CG ASP A 53 -7.203 12.350 -21.435 1.00 0.00 C ATOM 731 OD1 ASP A 53 -6.872 13.409 -22.015 1.00 0.00 O ATOM 732 OD2 ASP A 53 -8.362 11.882 -21.378 1.00 0.00 O ATOM 0 H ASP A 53 -4.551 10.590 -19.006 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.043 13.308 -20.012 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.343 11.271 -21.460 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.515 10.648 -20.315 1.00 0.00 H new ATOM 737 N GLY A 54 -7.251 13.757 -18.748 1.00 0.00 N ATOM 738 CA GLY A 54 -8.266 14.238 -17.823 1.00 0.00 C ATOM 739 C GLY A 54 -9.621 13.576 -18.085 1.00 0.00 C ATOM 740 O GLY A 54 -9.659 12.465 -18.614 1.00 0.00 O ATOM 0 H GLY A 54 -7.211 14.295 -19.614 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.952 14.035 -16.799 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.364 15.319 -17.918 1.00 0.00 H new ATOM 744 N PRO A 55 -10.741 14.228 -17.720 1.00 0.00 N ATOM 745 CA PRO A 55 -10.839 15.537 -17.076 1.00 0.00 C ATOM 746 C PRO A 55 -10.030 15.660 -15.781 1.00 0.00 C ATOM 747 O PRO A 55 -9.795 14.665 -15.097 1.00 0.00 O ATOM 748 CB PRO A 55 -12.329 15.743 -16.783 1.00 0.00 C ATOM 749 CG PRO A 55 -13.030 14.856 -17.809 1.00 0.00 C ATOM 750 CD PRO A 55 -12.067 13.680 -17.952 1.00 0.00 C ATOM 0 HA PRO A 55 -10.420 16.294 -17.739 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.580 15.450 -15.764 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.618 16.788 -16.895 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.012 14.535 -17.462 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.180 15.374 -18.756 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.298 12.895 -17.232 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.138 13.234 -18.944 1.00 0.00 H new ATOM 758 N TYR A 56 -9.621 16.893 -15.450 1.00 0.00 N ATOM 759 CA TYR A 56 -8.831 17.203 -14.264 1.00 0.00 C ATOM 760 C TYR A 56 -9.459 18.332 -13.455 1.00 0.00 C ATOM 761 O TYR A 56 -10.357 19.029 -13.927 1.00 0.00 O ATOM 762 CB TYR A 56 -7.409 17.670 -14.656 1.00 0.00 C ATOM 763 CG TYR A 56 -6.774 17.183 -15.945 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.108 17.809 -17.160 1.00 0.00 C ATOM 765 CD2 TYR A 56 -5.843 16.128 -15.937 1.00 0.00 C ATOM 766 CE1 TYR A 56 -6.514 17.387 -18.362 1.00 0.00 C ATOM 767 CE2 TYR A 56 -5.248 15.705 -17.140 1.00 0.00 C ATOM 768 CZ TYR A 56 -5.575 16.342 -18.351 1.00 0.00 C ATOM 769 OH TYR A 56 -4.988 15.941 -19.515 1.00 0.00 O ATOM 0 H TYR A 56 -9.838 17.714 -16.014 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.793 16.288 -13.673 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.426 18.759 -14.695 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.741 17.391 -13.841 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.824 18.617 -17.169 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.585 15.643 -15.007 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.779 17.866 -19.293 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.539 14.890 -17.134 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.208 15.384 -19.313 1.00 0.00 H new ATOM 779 N GLN A 57 -8.949 18.489 -12.225 1.00 0.00 N ATOM 780 CA GLN A 57 -9.359 19.500 -11.267 1.00 0.00 C ATOM 781 C GLN A 57 -8.127 20.068 -10.579 1.00 0.00 C ATOM 782 O GLN A 57 -7.093 19.410 -10.509 1.00 0.00 O ATOM 783 CB GLN A 57 -10.285 18.928 -10.199 1.00 0.00 C ATOM 784 CG GLN A 57 -11.583 18.367 -10.771 1.00 0.00 C ATOM 785 CD GLN A 57 -11.431 17.018 -11.481 1.00 0.00 C ATOM 786 OE1 GLN A 57 -11.981 16.824 -12.562 1.00 0.00 O ATOM 787 NE2 GLN A 57 -10.692 16.082 -10.878 1.00 0.00 N ATOM 0 H GLN A 57 -8.210 17.885 -11.865 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.897 20.274 -11.814 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.762 18.139 -9.658 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.521 19.708 -9.475 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.305 18.259 -9.962 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.998 19.089 -11.474 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.251 16.281 -9.980 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.569 15.169 -11.316 1.00 0.00 H new ATOM 796 N GLU A 58 -8.259 21.293 -10.062 1.00 0.00 N ATOM 797 CA GLU A 58 -7.186 22.016 -9.399 1.00 0.00 C ATOM 798 C GLU A 58 -7.102 21.778 -7.893 1.00 0.00 C ATOM 799 O GLU A 58 -8.075 21.370 -7.268 1.00 0.00 O ATOM 800 CB GLU A 58 -7.401 23.514 -9.652 1.00 0.00 C ATOM 801 CG GLU A 58 -7.406 23.798 -11.163 1.00 0.00 C ATOM 802 CD GLU A 58 -7.216 25.275 -11.497 1.00 0.00 C ATOM 803 OE1 GLU A 58 -6.231 25.859 -10.994 1.00 0.00 O ATOM 804 OE2 GLU A 58 -8.055 25.798 -12.262 1.00 0.00 O ATOM 0 H GLU A 58 -9.135 21.815 -10.097 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.248 21.648 -9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.345 23.834 -9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.612 24.090 -9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.613 23.220 -11.638 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.349 23.454 -11.588 1.00 0.00 H new ATOM 811 N PHE A 59 -5.917 22.022 -7.320 1.00 0.00 N ATOM 812 CA PHE A 59 -5.668 21.923 -5.891 1.00 0.00 C ATOM 813 C PHE A 59 -4.407 22.729 -5.567 1.00 0.00 C ATOM 814 O PHE A 59 -3.315 22.295 -5.918 1.00 0.00 O ATOM 815 CB PHE A 59 -5.553 20.493 -5.366 1.00 0.00 C ATOM 816 CG PHE A 59 -5.667 20.568 -3.858 1.00 0.00 C ATOM 817 CD1 PHE A 59 -6.938 20.498 -3.258 1.00 0.00 C ATOM 818 CD2 PHE A 59 -4.521 20.729 -3.056 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.061 20.586 -1.864 1.00 0.00 C ATOM 820 CE2 PHE A 59 -4.649 20.823 -1.659 1.00 0.00 C ATOM 821 CZ PHE A 59 -5.922 20.761 -1.066 1.00 0.00 C ATOM 0 H PHE A 59 -5.093 22.299 -7.854 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.539 22.332 -5.379 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.340 19.864 -5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.602 20.049 -5.660 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.819 20.376 -3.871 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.544 20.780 -3.514 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.036 20.519 -1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.770 20.943 -1.042 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.023 20.848 0.006 1.00 0.00 H new ATOM 831 N PRO A 60 -4.509 23.883 -4.893 1.00 0.00 N ATOM 832 CA PRO A 60 -3.367 24.711 -4.590 1.00 0.00 C ATOM 833 C PRO A 60 -2.724 24.326 -3.256 1.00 0.00 C ATOM 834 O PRO A 60 -3.319 24.487 -2.191 1.00 0.00 O ATOM 835 CB PRO A 60 -3.949 26.113 -4.646 1.00 0.00 C ATOM 836 CG PRO A 60 -5.319 25.939 -3.985 1.00 0.00 C ATOM 837 CD PRO A 60 -5.711 24.509 -4.375 1.00 0.00 C ATOM 0 HA PRO A 60 -2.532 24.603 -5.282 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.329 26.830 -4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.037 26.474 -5.671 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.264 26.062 -2.903 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.040 26.669 -4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.093 23.962 -3.513 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.501 24.514 -5.126 1.00 0.00 H new ATOM 845 N ILE A 61 -1.492 23.810 -3.333 1.00 0.00 N ATOM 846 CA ILE A 61 -0.685 23.388 -2.204 1.00 0.00 C ATOM 847 C ILE A 61 0.093 24.548 -1.635 1.00 0.00 C ATOM 848 O ILE A 61 0.117 25.667 -2.144 1.00 0.00 O ATOM 849 CB ILE A 61 0.231 22.224 -2.587 1.00 0.00 C ATOM 850 CG1 ILE A 61 1.145 21.535 -1.555 1.00 0.00 C ATOM 851 CG2 ILE A 61 0.904 22.432 -3.949 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.403 20.088 -1.955 1.00 0.00 C ATOM 0 H ILE A 61 -1.018 23.673 -4.226 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.355 23.029 -1.423 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.525 21.440 -2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.090 22.072 -1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.681 21.569 -0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.543 21.578 -4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.141 22.527 -4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.507 23.339 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.050 19.616 -1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.456 19.550 -2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.887 20.061 -2.931 1.00 0.00 H new ATOM 864 N LYS A 62 0.728 24.169 -0.545 1.00 0.00 N ATOM 865 CA LYS A 62 1.573 25.000 0.300 1.00 0.00 C ATOM 866 C LYS A 62 2.580 24.149 1.068 1.00 0.00 C ATOM 867 O LYS A 62 2.321 22.988 1.387 1.00 0.00 O ATOM 868 CB LYS A 62 0.718 25.834 1.272 1.00 0.00 C ATOM 869 CG LYS A 62 0.475 27.268 0.783 1.00 0.00 C ATOM 870 CD LYS A 62 1.724 28.144 0.957 1.00 0.00 C ATOM 871 CE LYS A 62 1.556 29.504 0.273 1.00 0.00 C ATOM 872 NZ LYS A 62 0.438 30.270 0.847 1.00 0.00 N ATOM 0 H LYS A 62 0.666 23.211 -0.200 1.00 0.00 H new ATOM 0 HA LYS A 62 2.126 25.683 -0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.242 25.339 1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.211 25.867 2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.186 27.251 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.357 27.705 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.921 28.292 2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.591 27.631 0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.478 30.077 0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.386 29.356 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.536 31.273 0.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.461 29.904 0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.448 30.175 1.883 1.00 0.00 H new ATOM 886 N SER A 63 3.735 24.759 1.365 1.00 0.00 N ATOM 887 CA SER A 63 4.836 24.161 2.105 1.00 0.00 C ATOM 888 C SER A 63 4.621 24.409 3.596 1.00 0.00 C ATOM 889 O SER A 63 5.428 25.058 4.260 1.00 0.00 O ATOM 890 CB SER A 63 6.167 24.719 1.587 1.00 0.00 C ATOM 891 OG SER A 63 6.184 26.130 1.650 1.00 0.00 O ATOM 0 H SER A 63 3.928 25.720 1.082 1.00 0.00 H new ATOM 0 HA SER A 63 4.870 23.082 1.955 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.989 24.315 2.178 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.325 24.396 0.558 1.00 0.00 H new ATOM 0 HG SER A 63 6.031 26.418 2.574 1.00 0.00 H new ATOM 897 N GLY A 64 3.504 23.883 4.107 1.00 0.00 N ATOM 898 CA GLY A 64 3.111 24.008 5.497 1.00 0.00 C ATOM 899 C GLY A 64 2.014 22.997 5.820 1.00 0.00 C ATOM 900 O GLY A 64 2.213 22.124 6.662 1.00 0.00 O ATOM 0 H GLY A 64 2.840 23.349 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.972 23.842 6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.755 25.019 5.694 1.00 0.00 H new ATOM 904 N GLY A 65 0.864 23.113 5.142 1.00 0.00 N ATOM 905 CA GLY A 65 -0.268 22.226 5.356 1.00 0.00 C ATOM 906 C GLY A 65 -1.258 22.276 4.195 1.00 0.00 C ATOM 907 O GLY A 65 -1.204 23.174 3.353 1.00 0.00 O ATOM 0 H GLY A 65 0.701 23.827 4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.090 21.205 5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.777 22.503 6.279 1.00 0.00 H new ATOM 911 N VAL A 66 -2.167 21.294 4.169 1.00 0.00 N ATOM 912 CA VAL A 66 -3.192 21.146 3.146 1.00 0.00 C ATOM 913 C VAL A 66 -4.343 22.128 3.379 1.00 0.00 C ATOM 914 O VAL A 66 -4.768 22.324 4.516 1.00 0.00 O ATOM 915 CB VAL A 66 -3.672 19.683 3.093 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.298 19.173 4.398 1.00 0.00 C ATOM 917 CG2 VAL A 66 -4.688 19.489 1.964 1.00 0.00 C ATOM 0 H VAL A 66 -2.205 20.564 4.881 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.766 21.391 2.173 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.768 19.100 2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.608 18.136 4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.565 19.238 5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.166 19.783 4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.015 18.449 1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.548 20.136 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.225 19.743 1.010 1.00 0.00 H new ATOM 927 N TYR A 67 -4.832 22.741 2.288 1.00 0.00 N ATOM 928 CA TYR A 67 -5.931 23.698 2.266 1.00 0.00 C ATOM 929 C TYR A 67 -5.705 24.859 3.242 1.00 0.00 C ATOM 930 O TYR A 67 -6.159 24.814 4.386 1.00 0.00 O ATOM 931 CB TYR A 67 -7.271 22.976 2.491 1.00 0.00 C ATOM 932 CG TYR A 67 -8.492 23.874 2.618 1.00 0.00 C ATOM 933 CD1 TYR A 67 -8.683 24.958 1.738 1.00 0.00 C ATOM 934 CD2 TYR A 67 -9.437 23.628 3.632 1.00 0.00 C ATOM 935 CE1 TYR A 67 -9.807 25.789 1.875 1.00 0.00 C ATOM 936 CE2 TYR A 67 -10.564 24.458 3.767 1.00 0.00 C ATOM 937 CZ TYR A 67 -10.749 25.541 2.890 1.00 0.00 C ATOM 938 OH TYR A 67 -11.837 26.356 3.024 1.00 0.00 O ATOM 0 H TYR A 67 -4.448 22.569 1.359 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.969 24.155 1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.435 22.287 1.663 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.190 22.374 3.396 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.963 25.150 0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.296 22.798 4.309 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.948 26.620 1.200 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -11.288 24.263 4.545 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.388 26.045 3.772 1.00 0.00 H new ATOM 948 N THR A 68 -5.006 25.903 2.778 1.00 0.00 N ATOM 949 CA THR A 68 -4.705 27.097 3.555 1.00 0.00 C ATOM 950 C THR A 68 -4.558 28.311 2.632 1.00 0.00 C ATOM 951 O THR A 68 -4.299 28.160 1.437 1.00 0.00 O ATOM 952 CB THR A 68 -3.484 26.867 4.456 1.00 0.00 C ATOM 953 OG1 THR A 68 -3.303 27.965 5.328 1.00 0.00 O ATOM 954 CG2 THR A 68 -2.226 26.674 3.619 1.00 0.00 C ATOM 0 H THR A 68 -4.629 25.935 1.831 1.00 0.00 H new ATOM 0 HA THR A 68 -5.539 27.313 4.223 1.00 0.00 H new ATOM 0 HB THR A 68 -3.662 25.965 5.042 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.522 27.805 5.898 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.372 26.513 4.277 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.351 25.809 2.968 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.053 27.563 3.012 1.00 0.00 H new ATOM 962 N GLY A 69 -4.715 29.513 3.201 1.00 0.00 N ATOM 963 CA GLY A 69 -4.627 30.779 2.490 1.00 0.00 C ATOM 964 C GLY A 69 -3.179 31.252 2.378 1.00 0.00 C ATOM 965 O GLY A 69 -2.300 30.472 2.015 1.00 0.00 O ATOM 0 H GLY A 69 -4.912 29.626 4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.054 30.669 1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.219 31.532 3.010 1.00 0.00 H new ATOM 969 N GLY A 70 -2.939 32.533 2.684 1.00 0.00 N ATOM 970 CA GLY A 70 -1.627 33.157 2.621 1.00 0.00 C ATOM 971 C GLY A 70 -1.261 33.496 1.176 1.00 0.00 C ATOM 972 O GLY A 70 -0.206 33.085 0.696 1.00 0.00 O ATOM 0 H GLY A 70 -3.673 33.172 2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.620 34.064 3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.879 32.486 3.044 1.00 0.00 H new ATOM 976 N SER A 71 -2.140 34.255 0.504 1.00 0.00 N ATOM 977 CA SER A 71 -2.014 34.692 -0.884 1.00 0.00 C ATOM 978 C SER A 71 -1.580 33.555 -1.826 1.00 0.00 C ATOM 979 O SER A 71 -0.526 33.650 -2.456 1.00 0.00 O ATOM 980 CB SER A 71 -1.118 35.940 -0.968 1.00 0.00 C ATOM 981 OG SER A 71 0.205 35.680 -0.548 1.00 0.00 O ATOM 0 H SER A 71 -2.998 34.594 0.940 1.00 0.00 H new ATOM 0 HA SER A 71 -3.002 34.980 -1.244 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.105 36.307 -1.994 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.543 36.732 -0.352 1.00 0.00 H new ATOM 0 HG SER A 71 0.570 34.930 -1.062 1.00 0.00 H new ATOM 987 N PRO A 72 -2.370 32.470 -1.927 1.00 0.00 N ATOM 988 CA PRO A 72 -2.044 31.305 -2.736 1.00 0.00 C ATOM 989 C PRO A 72 -2.323 31.575 -4.218 1.00 0.00 C ATOM 990 O PRO A 72 -3.310 32.230 -4.554 1.00 0.00 O ATOM 991 CB PRO A 72 -2.957 30.195 -2.207 1.00 0.00 C ATOM 992 CG PRO A 72 -4.211 30.961 -1.789 1.00 0.00 C ATOM 993 CD PRO A 72 -3.644 32.274 -1.253 1.00 0.00 C ATOM 0 HA PRO A 72 -0.989 31.040 -2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.174 29.450 -2.973 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.507 29.666 -1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.884 31.125 -2.631 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.777 30.425 -1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.323 33.103 -1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.510 32.228 -0.172 1.00 0.00 H new ATOM 1001 N GLY A 73 -1.446 31.075 -5.100 1.00 0.00 N ATOM 1002 CA GLY A 73 -1.602 31.234 -6.542 1.00 0.00 C ATOM 1003 C GLY A 73 -0.302 31.084 -7.335 1.00 0.00 C ATOM 1004 O GLY A 73 -0.124 31.768 -8.343 1.00 0.00 O ATOM 0 H GLY A 73 -0.613 30.552 -4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.321 30.497 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.026 32.218 -6.744 1.00 0.00 H new ATOM 1008 N ALA A 74 0.597 30.194 -6.896 1.00 0.00 N ATOM 1009 CA ALA A 74 1.867 29.926 -7.555 1.00 0.00 C ATOM 1010 C ALA A 74 2.530 28.684 -6.967 1.00 0.00 C ATOM 1011 O ALA A 74 3.751 28.631 -6.857 1.00 0.00 O ATOM 1012 CB ALA A 74 2.809 31.125 -7.462 1.00 0.00 C ATOM 0 H ALA A 74 0.453 29.633 -6.056 1.00 0.00 H new ATOM 0 HA ALA A 74 1.657 29.744 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.747 30.890 -7.964 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.347 31.988 -7.941 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.005 31.353 -6.414 1.00 0.00 H new ATOM 1018 N ASP A 75 1.719 27.695 -6.582 1.00 0.00 N ATOM 1019 CA ASP A 75 2.136 26.429 -6.019 1.00 0.00 C ATOM 1020 C ASP A 75 0.889 25.541 -5.997 1.00 0.00 C ATOM 1021 O ASP A 75 0.108 25.580 -5.046 1.00 0.00 O ATOM 1022 CB ASP A 75 2.732 26.662 -4.616 1.00 0.00 C ATOM 1023 CG ASP A 75 2.160 27.868 -3.864 1.00 0.00 C ATOM 1024 OD1 ASP A 75 0.919 27.939 -3.734 1.00 0.00 O ATOM 1025 OD2 ASP A 75 2.977 28.710 -3.432 1.00 0.00 O ATOM 0 H ASP A 75 0.705 27.770 -6.663 1.00 0.00 H new ATOM 0 HA ASP A 75 2.917 25.942 -6.603 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.570 25.767 -4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.810 26.790 -4.712 1.00 0.00 H new ATOM 1030 N ARG A 76 0.702 24.732 -7.046 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.469 23.877 -7.169 1.00 0.00 C ATOM 1032 C ARG A 76 -0.204 22.542 -7.856 1.00 0.00 C ATOM 1033 O ARG A 76 0.721 22.419 -8.653 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.512 24.596 -8.056 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.726 26.101 -7.826 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.859 26.587 -8.739 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.180 28.005 -8.515 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.843 28.793 -9.382 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.214 28.343 -10.592 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.152 30.052 -9.037 1.00 0.00 N ATOM 0 H ARG A 76 1.357 24.656 -7.825 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.799 23.685 -6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.223 24.453 -9.097 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.471 24.096 -7.920 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.975 26.291 -6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.808 26.649 -8.039 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.573 26.441 -9.781 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.749 25.982 -8.565 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.877 28.423 -7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.994 27.387 -10.870 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.716 28.958 -11.233 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.885 30.410 -8.120 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.654 30.652 -9.692 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.034 21.546 -7.515 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.051 20.217 -8.104 1.00 0.00 C ATOM 1056 C VAL A 77 -2.463 20.128 -8.676 1.00 0.00 C ATOM 1057 O VAL A 77 -3.412 20.690 -8.126 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.634 19.020 -7.229 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.604 19.345 -6.387 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.759 18.527 -6.309 1.00 0.00 C ATOM 0 H VAL A 77 -1.740 21.659 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.256 20.120 -8.844 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.399 18.217 -7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.870 18.478 -5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.436 19.597 -7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.388 20.191 -5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.403 17.683 -5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.063 19.334 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.611 18.214 -6.912 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.594 19.425 -9.791 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.850 19.285 -10.500 1.00 0.00 C ATOM 1072 C VAL A 78 -4.107 17.784 -10.660 1.00 0.00 C ATOM 1073 O VAL A 78 -3.368 17.102 -11.365 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.696 20.157 -11.766 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.861 20.071 -12.756 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.494 21.632 -11.330 1.00 0.00 C ATOM 0 H VAL A 78 -1.818 18.930 -10.232 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.753 19.646 -10.008 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.832 19.766 -12.303 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.661 20.717 -13.611 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.973 19.042 -13.098 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.780 20.393 -12.266 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.384 22.261 -12.214 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.359 21.963 -10.755 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.598 21.710 -10.715 1.00 0.00 H new ATOM 1086 N ILE A 79 -5.156 17.283 -9.984 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.560 15.879 -9.955 1.00 0.00 C ATOM 1088 C ILE A 79 -6.481 15.458 -11.102 1.00 0.00 C ATOM 1089 O ILE A 79 -7.009 16.299 -11.817 1.00 0.00 O ATOM 1090 CB ILE A 79 -6.237 15.543 -8.606 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.636 16.177 -8.468 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -5.367 15.949 -7.410 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -8.450 15.517 -7.351 1.00 0.00 C ATOM 0 H ILE A 79 -5.766 17.876 -9.422 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.637 15.313 -10.079 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.356 14.459 -8.602 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.534 17.243 -8.263 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.172 16.084 -9.412 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.881 15.695 -6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.416 15.418 -7.455 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.185 17.023 -7.441 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.429 15.991 -7.285 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.575 14.456 -7.570 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.926 15.633 -6.402 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.667 14.139 -11.248 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.517 13.477 -12.230 1.00 0.00 C ATOM 1107 C ASN A 80 -8.897 13.309 -11.599 1.00 0.00 C ATOM 1108 O ASN A 80 -9.060 13.548 -10.402 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.958 12.091 -12.579 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.630 12.159 -13.320 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -4.581 11.854 -12.758 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -5.680 12.551 -14.595 1.00 0.00 N ATOM 0 H ASN A 80 -6.195 13.469 -10.641 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.563 14.071 -13.143 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.828 11.516 -11.662 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.683 11.556 -13.192 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.823 12.607 -15.145 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.575 12.794 -15.019 1.00 0.00 H new ATOM 1119 N THR A 81 -9.887 12.889 -12.398 1.00 0.00 N ATOM 1120 CA THR A 81 -11.252 12.711 -11.934 1.00 0.00 C ATOM 1121 C THR A 81 -11.618 11.389 -11.282 1.00 0.00 C ATOM 1122 O THR A 81 -12.584 10.722 -11.646 1.00 0.00 O ATOM 1123 CB THR A 81 -12.248 13.261 -12.955 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.542 13.333 -12.394 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.264 12.413 -14.221 1.00 0.00 C ATOM 0 H THR A 81 -9.754 12.665 -13.384 1.00 0.00 H new ATOM 0 HA THR A 81 -11.327 13.332 -11.041 1.00 0.00 H new ATOM 0 HB THR A 81 -11.928 14.267 -13.227 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.168 13.688 -13.059 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.982 12.829 -14.928 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.271 12.411 -14.670 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.551 11.392 -13.971 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.818 11.036 -10.282 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.016 9.861 -9.480 1.00 0.00 C ATOM 1135 C ASN A 82 -10.287 10.246 -8.206 1.00 0.00 C ATOM 1136 O ASN A 82 -10.871 10.826 -7.292 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.497 8.605 -10.205 1.00 0.00 C ATOM 1138 CG ASN A 82 -10.476 7.361 -9.314 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -11.202 7.284 -8.323 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -9.639 6.381 -9.665 1.00 0.00 N ATOM 0 H ASN A 82 -9.999 11.579 -10.010 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.050 9.584 -9.275 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -11.124 8.410 -11.075 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.490 8.797 -10.574 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -9.585 5.531 -9.104 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -9.053 6.483 -10.494 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.001 9.915 -8.189 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.083 10.185 -7.100 1.00 0.00 C ATOM 1149 C CYS A 83 -6.623 10.046 -7.519 1.00 0.00 C ATOM 1150 O CYS A 83 -5.962 9.128 -7.033 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.423 9.424 -5.809 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.420 9.948 -4.382 1.00 0.00 S ATOM 0 H CYS A 83 -8.556 9.431 -8.969 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.223 11.236 -6.847 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.478 9.569 -5.576 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -8.277 8.357 -5.975 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.096 10.901 -8.404 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.685 10.762 -8.776 1.00 0.00 C ATOM 1159 C GLU A 84 -4.036 12.085 -9.157 1.00 0.00 C ATOM 1160 O GLU A 84 -4.570 12.779 -10.010 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.584 9.775 -9.951 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.132 9.463 -10.328 1.00 0.00 C ATOM 1163 CD GLU A 84 -3.076 8.503 -11.513 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -3.127 7.280 -11.259 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -2.988 9.010 -12.651 1.00 0.00 O ATOM 0 H GLU A 84 -6.599 11.663 -8.858 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.145 10.393 -7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.096 8.849 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.100 10.191 -10.817 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.609 10.387 -10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.616 9.025 -9.474 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.890 12.438 -8.547 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.188 13.669 -8.898 1.00 0.00 C ATOM 1174 C TYR A 85 -1.749 13.465 -10.367 1.00 0.00 C ATOM 1175 O TYR A 85 -0.972 12.554 -10.657 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.049 14.021 -7.885 1.00 0.00 C ATOM 1177 CG TYR A 85 0.314 14.184 -8.545 1.00 0.00 C ATOM 1178 CD1 TYR A 85 0.436 15.142 -9.562 1.00 0.00 C ATOM 1179 CD2 TYR A 85 1.440 13.404 -8.191 1.00 0.00 C ATOM 1180 CE1 TYR A 85 1.643 15.314 -10.239 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.651 13.571 -8.892 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.750 14.514 -9.926 1.00 0.00 C ATOM 1183 OH TYR A 85 3.918 14.663 -10.616 1.00 0.00 O ATOM 0 H TYR A 85 -2.440 11.888 -7.815 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.816 14.557 -8.825 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.306 14.944 -7.366 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.988 13.237 -7.130 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.415 15.754 -9.824 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.372 12.685 -7.388 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.725 16.068 -11.008 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.509 12.969 -8.631 1.00 0.00 H new ATOM 0 HH TYR A 85 4.584 14.032 -10.272 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.253 14.303 -11.287 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.955 14.234 -12.714 1.00 0.00 C ATOM 1195 C ALA A 86 -0.682 15.013 -13.036 1.00 0.00 C ATOM 1196 O ALA A 86 0.283 14.444 -13.544 1.00 0.00 O ATOM 1197 CB ALA A 86 -3.135 14.780 -13.528 1.00 0.00 C ATOM 0 H ALA A 86 -2.892 15.061 -11.047 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.795 13.190 -12.984 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.901 14.723 -14.591 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.026 14.187 -13.320 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.318 15.818 -13.252 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.696 16.315 -12.724 1.00 0.00 N ATOM 1204 CA GLY A 87 0.399 17.237 -12.969 1.00 0.00 C ATOM 1205 C GLY A 87 0.497 18.290 -11.873 1.00 0.00 C ATOM 1206 O GLY A 87 -0.194 18.201 -10.862 1.00 0.00 O ATOM 0 H GLY A 87 -1.499 16.761 -12.281 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.336 16.683 -13.028 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.256 17.726 -13.933 1.00 0.00 H new ATOM 1210 N ALA A 88 1.370 19.285 -12.073 1.00 0.00 N ATOM 1211 CA ALA A 88 1.557 20.371 -11.125 1.00 0.00 C ATOM 1212 C ALA A 88 2.212 21.572 -11.780 1.00 0.00 C ATOM 1213 O ALA A 88 3.078 21.425 -12.641 1.00 0.00 O ATOM 1214 CB ALA A 88 2.365 19.913 -9.914 1.00 0.00 C ATOM 0 H ALA A 88 1.963 19.353 -12.900 1.00 0.00 H new ATOM 0 HA ALA A 88 0.568 20.674 -10.780 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.489 20.747 -9.223 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.840 19.100 -9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.345 19.565 -10.241 1.00 0.00 H new ATOM 1220 N ILE A 89 1.779 22.758 -11.334 1.00 0.00 N ATOM 1221 CA ILE A 89 2.224 24.052 -11.815 1.00 0.00 C ATOM 1222 C ILE A 89 2.591 24.956 -10.631 1.00 0.00 C ATOM 1223 O ILE A 89 2.162 24.721 -9.506 1.00 0.00 O ATOM 1224 CB ILE A 89 1.138 24.661 -12.723 1.00 0.00 C ATOM 1225 CG1 ILE A 89 -0.165 24.932 -11.944 1.00 0.00 C ATOM 1226 CG2 ILE A 89 0.875 23.743 -13.925 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -1.267 25.548 -12.812 1.00 0.00 C ATOM 0 H ILE A 89 1.079 22.834 -10.596 1.00 0.00 H new ATOM 0 HA ILE A 89 3.127 23.944 -12.416 1.00 0.00 H new ATOM 0 HB ILE A 89 1.504 25.621 -13.089 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.527 23.997 -11.517 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.049 25.601 -11.111 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.106 24.185 -14.559 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.794 23.623 -14.499 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.539 22.768 -13.572 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.157 25.714 -12.206 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.922 26.499 -13.218 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.507 24.870 -13.631 1.00 0.00 H new ATOM 1239 N THR A 90 3.398 25.990 -10.886 1.00 0.00 N ATOM 1240 CA THR A 90 3.877 26.949 -9.903 1.00 0.00 C ATOM 1241 C THR A 90 4.343 28.224 -10.619 1.00 0.00 C ATOM 1242 O THR A 90 4.781 28.128 -11.765 1.00 0.00 O ATOM 1243 CB THR A 90 5.042 26.287 -9.150 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.627 27.193 -8.241 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.158 25.759 -10.064 1.00 0.00 C ATOM 0 H THR A 90 3.746 26.184 -11.825 1.00 0.00 H new ATOM 0 HA THR A 90 3.090 27.228 -9.202 1.00 0.00 H new ATOM 0 HB THR A 90 4.595 25.436 -8.636 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.922 27.674 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.942 25.307 -9.457 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.749 25.011 -10.743 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.576 26.584 -10.641 1.00 0.00 H new ATOM 1253 N HIS A 91 4.255 29.411 -9.983 1.00 0.00 N ATOM 1254 CA HIS A 91 4.748 30.628 -10.651 1.00 0.00 C ATOM 1255 C HIS A 91 6.271 30.679 -10.529 1.00 0.00 C ATOM 1256 O HIS A 91 6.942 30.829 -11.547 1.00 0.00 O ATOM 1257 CB HIS A 91 4.196 32.020 -10.259 1.00 0.00 C ATOM 1258 CG HIS A 91 2.798 32.362 -10.713 1.00 0.00 C ATOM 1259 ND1 HIS A 91 2.168 33.551 -10.368 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.891 31.700 -11.497 1.00 0.00 C ATOM 1261 CE1 HIS A 91 0.952 33.547 -10.942 1.00 0.00 C ATOM 1262 NE2 HIS A 91 0.722 32.439 -11.646 1.00 0.00 N ATOM 0 H HIS A 91 3.866 29.549 -9.051 1.00 0.00 H new ATOM 0 HA HIS A 91 4.357 30.491 -11.659 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.228 32.102 -9.173 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.874 32.776 -10.655 1.00 0.00 H new ATOM 0 HD2 HIS A 91 2.061 30.731 -11.942 1.00 0.00 H new ATOM 0 HE1 HIS A 91 0.240 34.353 -10.843 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.116 32.191 -12.172 1.00 0.00 H new ATOM 1270 N THR A 92 6.786 30.538 -9.295 1.00 0.00 N ATOM 1271 CA THR A 92 8.184 30.571 -8.881 1.00 0.00 C ATOM 1272 C THR A 92 9.030 31.746 -9.394 1.00 0.00 C ATOM 1273 O THR A 92 9.415 32.614 -8.613 1.00 0.00 O ATOM 1274 CB THR A 92 8.823 29.185 -8.944 1.00 0.00 C ATOM 1275 OG1 THR A 92 10.134 29.240 -8.426 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.849 28.570 -10.339 1.00 0.00 C ATOM 0 H THR A 92 6.171 30.385 -8.496 1.00 0.00 H new ATOM 0 HA THR A 92 8.167 30.836 -7.824 1.00 0.00 H new ATOM 0 HB THR A 92 8.191 28.535 -8.338 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.753 28.815 -9.056 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.319 27.587 -10.295 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.829 28.468 -10.711 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.417 29.214 -11.010 1.00 0.00 H new ATOM 1284 N GLY A 93 9.320 31.766 -10.693 1.00 0.00 N ATOM 1285 CA GLY A 93 10.093 32.787 -11.381 1.00 0.00 C ATOM 1286 C GLY A 93 9.577 32.917 -12.811 1.00 0.00 C ATOM 1287 O GLY A 93 10.353 32.865 -13.765 1.00 0.00 O ATOM 0 H GLY A 93 9.003 31.030 -11.324 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.006 33.741 -10.860 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.150 32.521 -11.384 1.00 0.00 H new ATOM 1291 N ALA A 94 8.255 33.081 -12.942 1.00 0.00 N ATOM 1292 CA ALA A 94 7.554 33.214 -14.210 1.00 0.00 C ATOM 1293 C ALA A 94 7.879 34.552 -14.877 1.00 0.00 C ATOM 1294 O ALA A 94 8.295 35.498 -14.206 1.00 0.00 O ATOM 1295 CB ALA A 94 6.050 33.084 -13.953 1.00 0.00 C ATOM 0 H ALA A 94 7.630 33.125 -12.137 1.00 0.00 H new ATOM 0 HA ALA A 94 7.879 32.427 -14.890 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.510 33.182 -14.895 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.839 32.109 -13.513 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.729 33.868 -13.268 1.00 0.00 H new ATOM 1301 N SER A 95 7.691 34.628 -16.202 1.00 0.00 N ATOM 1302 CA SER A 95 7.941 35.838 -16.976 1.00 0.00 C ATOM 1303 C SER A 95 7.020 36.968 -16.503 1.00 0.00 C ATOM 1304 O SER A 95 7.450 38.116 -16.405 1.00 0.00 O ATOM 1305 CB SER A 95 7.763 35.549 -18.471 1.00 0.00 C ATOM 1306 OG SER A 95 8.097 36.692 -19.229 1.00 0.00 O ATOM 0 H SER A 95 7.359 33.844 -16.764 1.00 0.00 H new ATOM 0 HA SER A 95 8.969 36.163 -16.819 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.395 34.711 -18.765 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.732 35.258 -18.673 1.00 0.00 H new ATOM 0 HG SER A 95 7.982 36.497 -20.183 1.00 0.00 H new ATOM 1312 N GLY A 96 5.756 36.631 -16.218 1.00 0.00 N ATOM 1313 CA GLY A 96 4.751 37.558 -15.732 1.00 0.00 C ATOM 1314 C GLY A 96 3.760 36.792 -14.862 1.00 0.00 C ATOM 1315 O GLY A 96 4.111 36.360 -13.764 1.00 0.00 O ATOM 0 H GLY A 96 5.405 35.679 -16.325 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.220 38.357 -15.157 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.235 38.028 -16.569 1.00 0.00 H new ATOM 1319 N ASN A 97 2.532 36.620 -15.364 1.00 0.00 N ATOM 1320 CA ASN A 97 1.448 35.931 -14.676 1.00 0.00 C ATOM 1321 C ASN A 97 1.363 34.449 -15.071 1.00 0.00 C ATOM 1322 O ASN A 97 0.565 33.712 -14.494 1.00 0.00 O ATOM 1323 CB ASN A 97 0.136 36.675 -14.969 1.00 0.00 C ATOM 1324 CG ASN A 97 -1.042 36.165 -14.134 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -0.942 36.063 -12.913 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -2.159 35.836 -14.788 1.00 0.00 N ATOM 0 H ASN A 97 2.263 36.967 -16.285 1.00 0.00 H new ATOM 0 HA ASN A 97 1.641 35.940 -13.603 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.277 37.738 -14.776 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.105 36.572 -16.027 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.967 35.486 -14.273 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.204 35.935 -15.802 1.00 0.00 H new ATOM 1333 N ASN A 98 2.185 34.001 -16.034 1.00 0.00 N ATOM 1334 CA ASN A 98 2.205 32.627 -16.517 1.00 0.00 C ATOM 1335 C ASN A 98 2.658 31.642 -15.435 1.00 0.00 C ATOM 1336 O ASN A 98 3.066 32.035 -14.343 1.00 0.00 O ATOM 1337 CB ASN A 98 3.082 32.532 -17.773 1.00 0.00 C ATOM 1338 CG ASN A 98 4.551 32.810 -17.459 1.00 0.00 C ATOM 1339 OD1 ASN A 98 4.948 33.968 -17.343 1.00 0.00 O ATOM 1340 ND2 ASN A 98 5.355 31.751 -17.312 1.00 0.00 N ATOM 0 H ASN A 98 2.864 34.602 -16.502 1.00 0.00 H new ATOM 0 HA ASN A 98 1.186 32.342 -16.779 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.985 31.538 -18.210 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.728 33.244 -18.519 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.342 31.887 -17.094 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.981 30.808 -17.417 1.00 0.00 H new ATOM 1347 N PHE A 99 2.590 30.351 -15.774 1.00 0.00 N ATOM 1348 CA PHE A 99 2.932 29.229 -14.916 1.00 0.00 C ATOM 1349 C PHE A 99 3.964 28.305 -15.568 1.00 0.00 C ATOM 1350 O PHE A 99 4.029 28.199 -16.792 1.00 0.00 O ATOM 1351 CB PHE A 99 1.641 28.421 -14.691 1.00 0.00 C ATOM 1352 CG PHE A 99 0.859 28.784 -13.447 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.266 28.241 -12.221 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.263 29.634 -13.494 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.573 28.535 -11.039 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -0.963 29.934 -12.309 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.541 29.385 -11.082 1.00 0.00 C ATOM 0 H PHE A 99 2.280 30.053 -16.699 1.00 0.00 H new ATOM 0 HA PHE A 99 3.359 29.609 -13.988 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.994 28.553 -15.558 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.898 27.363 -14.643 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.125 27.587 -12.187 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.586 30.054 -14.435 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.895 28.109 -10.100 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.824 30.585 -12.341 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.076 29.619 -10.174 1.00 0.00 H new ATOM 1367 N VAL A 100 4.767 27.649 -14.719 1.00 0.00 N ATOM 1368 CA VAL A 100 5.790 26.668 -15.078 1.00 0.00 C ATOM 1369 C VAL A 100 5.475 25.389 -14.302 1.00 0.00 C ATOM 1370 O VAL A 100 4.679 25.424 -13.368 1.00 0.00 O ATOM 1371 CB VAL A 100 7.223 27.178 -14.862 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.569 28.205 -15.939 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.438 27.749 -13.464 1.00 0.00 C ATOM 0 H VAL A 100 4.714 27.799 -13.711 1.00 0.00 H new ATOM 0 HA VAL A 100 5.758 26.469 -16.149 1.00 0.00 H new ATOM 0 HB VAL A 100 7.897 26.326 -14.947 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.586 28.566 -15.784 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.494 27.740 -16.922 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.874 29.043 -15.880 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.467 28.094 -13.366 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.758 28.586 -13.304 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.243 26.976 -12.721 1.00 0.00 H new ATOM 1383 N GLY A 101 6.098 24.263 -14.667 1.00 0.00 N ATOM 1384 CA GLY A 101 5.837 22.964 -14.044 1.00 0.00 C ATOM 1385 C GLY A 101 6.749 22.579 -12.878 1.00 0.00 C ATOM 1386 O GLY A 101 7.837 23.136 -12.741 1.00 0.00 O ATOM 0 H GLY A 101 6.800 24.229 -15.406 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.806 22.955 -13.690 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.918 22.194 -14.811 1.00 0.00 H new ATOM 1390 N CYS A 102 6.289 21.622 -12.045 1.00 0.00 N ATOM 1391 CA CYS A 102 7.037 21.104 -10.891 1.00 0.00 C ATOM 1392 C CYS A 102 7.701 19.755 -11.204 1.00 0.00 C ATOM 1393 O CYS A 102 7.460 19.194 -12.265 1.00 0.00 O ATOM 1394 CB CYS A 102 6.188 21.068 -9.618 1.00 0.00 C ATOM 1395 SG CYS A 102 5.236 22.572 -9.285 1.00 0.00 S ATOM 0 H CYS A 102 5.375 21.185 -12.161 1.00 0.00 H new ATOM 0 HA CYS A 102 7.845 21.807 -10.690 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.498 20.227 -9.684 1.00 0.00 H new ATOM 0 HB3 CYS A 102 6.843 20.876 -8.768 1.00 0.00 H new ATOM 1400 N SER A 103 8.518 19.209 -10.288 1.00 0.00 N ATOM 1401 CA SER A 103 9.268 17.962 -10.503 1.00 0.00 C ATOM 1402 C SER A 103 9.977 17.942 -11.868 1.00 0.00 C ATOM 1403 O SER A 103 9.906 16.955 -12.596 1.00 0.00 O ATOM 1404 CB SER A 103 8.402 16.708 -10.318 1.00 0.00 C ATOM 1405 OG SER A 103 7.980 16.584 -8.984 1.00 0.00 O ATOM 0 H SER A 103 8.677 19.625 -9.370 1.00 0.00 H new ATOM 0 HA SER A 103 10.034 17.940 -9.728 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.534 16.760 -10.975 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.969 15.823 -10.608 1.00 0.00 H new ATOM 0 HG SER A 103 8.169 15.677 -8.664 1.00 0.00 H new ATOM 1411 N GLY A 104 10.654 19.043 -12.220 1.00 0.00 N ATOM 1412 CA GLY A 104 11.390 19.172 -13.471 1.00 0.00 C ATOM 1413 C GLY A 104 10.499 19.202 -14.721 1.00 0.00 C ATOM 1414 O GLY A 104 10.975 18.879 -15.807 1.00 0.00 O ATOM 0 H GLY A 104 10.703 19.875 -11.633 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.983 20.086 -13.439 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.090 18.340 -13.556 1.00 0.00 H new ATOM 1418 N THR A 105 9.220 19.578 -14.574 1.00 0.00 N ATOM 1419 CA THR A 105 8.265 19.671 -15.675 1.00 0.00 C ATOM 1420 C THR A 105 8.385 21.056 -16.316 1.00 0.00 C ATOM 1421 O THR A 105 8.672 22.038 -15.632 1.00 0.00 O ATOM 1422 CB THR A 105 6.847 19.397 -15.150 1.00 0.00 C ATOM 1423 OG1 THR A 105 6.760 18.058 -14.707 1.00 0.00 O ATOM 1424 CG2 THR A 105 5.737 19.634 -16.171 1.00 0.00 C ATOM 0 H THR A 105 8.819 19.829 -13.670 1.00 0.00 H new ATOM 0 HA THR A 105 8.480 18.923 -16.439 1.00 0.00 H new ATOM 0 HB THR A 105 6.691 20.110 -14.341 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.953 18.018 -13.747 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.771 19.416 -15.715 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.758 20.674 -16.497 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.888 18.981 -17.031 1.00 0.00 H new ATOM 1432 N ASN A 106 8.167 21.122 -17.635 1.00 0.00 N ATOM 1433 CA ASN A 106 8.253 22.349 -18.414 1.00 0.00 C ATOM 1434 C ASN A 106 7.326 22.248 -19.627 1.00 0.00 C ATOM 1435 O ASN A 106 6.646 23.259 -19.909 1.00 0.00 O ATOM 1436 CB ASN A 106 9.712 22.576 -18.834 1.00 0.00 C ATOM 1437 CG ASN A 106 9.904 23.860 -19.640 1.00 0.00 C ATOM 1438 OD1 ASN A 106 9.228 24.859 -19.402 1.00 0.00 O ATOM 1439 ND2 ASN A 106 10.838 23.837 -20.596 1.00 0.00 N ATOM 1440 OXT ASN A 106 7.385 21.201 -20.308 1.00 0.00 O ATOM 0 H ASN A 106 7.922 20.305 -18.195 1.00 0.00 H new ATOM 0 HA ASN A 106 7.933 23.203 -17.818 1.00 0.00 H new ATOM 0 HB2 ASN A 106 10.340 22.614 -17.944 1.00 0.00 H new ATOM 0 HB3 ASN A 106 10.051 21.726 -19.427 1.00 0.00 H new ATOM 0 HD21 ASN A 106 11.011 24.669 -21.160 1.00 0.00 H new ATOM 0 HD22 ASN A 106 11.377 22.987 -20.762 1.00 0.00 H new TER 1447 ASN A 106