USER MOD reduce.3.24.130724 H: found=0, std=0, add=1155, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 841 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 104 HIS : no HD1:sc= 0 X(o=0.11,f=-0.17) USER MOD Set 1.2: A 105 CYS SG : rot 32:sc= 0.111 USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 45 MET CE :methyl 132:sc= -0.119 (180deg=0) USER MOD Set 3.1: A 25 THR OG1 : rot -92:sc= -0.725! USER MOD Set 3.2: A 27 LYS NZ :NH3+ -171:sc= -0.39 (180deg=-0.946) USER MOD Set 4.1: A 17 THR OG1 : rot -100:sc= -1.15 USER MOD Set 4.2: A 18 CYS SG : rot -150:sc= 0.0442 USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 3 THR OG1 : rot 83:sc= 0.727 USER MOD Single : A 5 LYS NZ :NH3+ 155:sc= -0.205 (180deg=-1.08) USER MOD Single : A 6 CYS SG : rot 80:sc= -1.84 USER MOD Single : A 16 LYS NZ :NH3+ -111:sc= -1.71! (180deg=-6.68!) USER MOD Single : A 22 SER OG : rot 180:sc= -0.309 USER MOD Single : A 23 TYR OH : rot 130:sc= -3.61! USER MOD Single : A 24 THR OG1 : rot -37:sc= -0.0671 USER MOD Single : A 26 ASN : amide:sc= -3.37! C(o=-3.4!,f=-12!) USER MOD Single : A 30 SER OG : rot 91:sc= 1.17 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 44:sc= 0.541 USER MOD Single : A 58 THR OG1 : rot -144:sc= -0.46! USER MOD Single : A 74 GLN : amide:sc=-0.00692 K(o=-0.0069,f=-1.1) USER MOD Single : A 75 THR OG1 : rot 117:sc= -3.68! USER MOD Single : A 81 CYS SG : rot 45:sc= -1.81 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 58:sc= 0.833 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -33:sc= -0.445 USER MOD Single : A 92 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.3!) USER MOD Single : A 94 LYS NZ :NH3+ 153:sc= -1.46 (180deg=-2.32!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 79:sc= 0.415! USER MOD Single : A 103 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-3.2!) USER MOD Single : A 107 LYS NZ :NH3+ 158:sc= -0.104 (180deg=-0.717) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.722 USER MOD Single : A 115 THR OG1 : rot 160:sc= 0 USER MOD Single : A 116 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 138 THR OG1 : rot 168:sc= -0.682 USER MOD Single : A 141 THR OG1 : rot -79:sc= -4.57! USER MOD Single : A 144 LYS NZ :NH3+ -166:sc= -0.924 (180deg=-1.13) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ -169:sc= -0.742 (180deg=-1.1!) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 CYS SG : rot 70:sc= -12.1! USER MOD Single : A 158 SER OG : rot -140:sc= -0.898 USER MOD Single : A 161 THR OG1 : rot 167:sc= -1.2! USER MOD Single : A 162 GLN : amide:sc= -3.72! C(o=-3.7!,f=-3.5!) USER MOD Single : A 163 LYS NZ :NH3+ 160:sc= -0.222 (180deg=-1.16!) USER MOD Single : A 166 LYS NZ :NH3+ -176:sc= -1.47 (180deg=-1.62) USER MOD Single : A 167 ASN : amide:sc= -1.15 K(o=-1.2,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 123.923 -2.041 14.215 1.00 0.00 N ATOM 21 CA GLN A 2 123.218 -2.449 13.007 1.00 0.00 C ATOM 22 C GLN A 2 124.066 -2.154 11.776 1.00 0.00 C ATOM 23 O GLN A 2 125.057 -1.435 11.856 1.00 0.00 O ATOM 24 CB GLN A 2 121.888 -1.700 12.904 1.00 0.00 C ATOM 25 CG GLN A 2 121.004 -2.064 14.097 1.00 0.00 C ATOM 26 CD GLN A 2 119.705 -1.268 14.042 1.00 0.00 C ATOM 27 OE1 GLN A 2 119.576 -0.344 13.239 1.00 0.00 O ATOM 28 NE2 GLN A 2 118.731 -1.569 14.855 1.00 0.00 N ATOM 0 HA GLN A 2 123.028 -3.521 13.058 1.00 0.00 H new ATOM 0 HB2 GLN A 2 122.065 -0.625 12.884 1.00 0.00 H new ATOM 0 HB3 GLN A 2 121.384 -1.958 11.972 1.00 0.00 H new ATOM 0 HG2 GLN A 2 120.787 -3.132 14.087 1.00 0.00 H new ATOM 0 HG3 GLN A 2 121.530 -1.854 15.028 1.00 0.00 H new ATOM 0 HE21 GLN A 2 118.840 -2.335 15.520 1.00 0.00 H new ATOM 0 HE22 GLN A 2 117.860 -1.038 14.826 1.00 0.00 H new ATOM 35 N THR A 3 123.671 -2.705 10.637 1.00 0.00 N ATOM 36 CA THR A 3 124.408 -2.481 9.408 1.00 0.00 C ATOM 37 C THR A 3 124.877 -1.038 9.341 1.00 0.00 C ATOM 38 O THR A 3 124.161 -0.121 9.746 1.00 0.00 O ATOM 39 CB THR A 3 123.526 -2.788 8.205 1.00 0.00 C ATOM 40 OG1 THR A 3 123.723 -1.789 7.212 1.00 0.00 O ATOM 41 CG2 THR A 3 122.058 -2.804 8.633 1.00 0.00 C ATOM 0 H THR A 3 122.851 -3.305 10.541 1.00 0.00 H new ATOM 0 HA THR A 3 125.274 -3.142 9.393 1.00 0.00 H new ATOM 0 HB THR A 3 123.791 -3.764 7.799 1.00 0.00 H new ATOM 0 HG1 THR A 3 124.520 -2.005 6.684 1.00 0.00 H new ATOM 0 HG21 THR A 3 121.430 -3.024 7.770 1.00 0.00 H new ATOM 0 HG22 THR A 3 121.909 -3.570 9.395 1.00 0.00 H new ATOM 0 HG23 THR A 3 121.787 -1.830 9.040 1.00 0.00 H new ATOM 46 N ILE A 4 126.089 -0.846 8.848 1.00 0.00 N ATOM 47 CA ILE A 4 126.655 0.491 8.756 1.00 0.00 C ATOM 48 C ILE A 4 127.215 0.751 7.363 1.00 0.00 C ATOM 49 O ILE A 4 127.611 -0.178 6.659 1.00 0.00 O ATOM 50 CB ILE A 4 127.750 0.639 9.809 1.00 0.00 C ATOM 51 CG1 ILE A 4 128.114 2.118 9.977 1.00 0.00 C ATOM 52 CG2 ILE A 4 128.990 -0.142 9.371 1.00 0.00 C ATOM 53 CD1 ILE A 4 126.924 2.882 10.562 1.00 0.00 C ATOM 0 H ILE A 4 126.696 -1.591 8.508 1.00 0.00 H new ATOM 0 HA ILE A 4 125.870 1.226 8.938 1.00 0.00 H new ATOM 0 HB ILE A 4 127.387 0.247 10.759 1.00 0.00 H new ATOM 0 HG12 ILE A 4 128.979 2.217 10.633 1.00 0.00 H new ATOM 0 HG13 ILE A 4 128.394 2.545 9.014 1.00 0.00 H new ATOM 0 HG21 ILE A 4 129.771 -0.036 10.123 1.00 0.00 H new ATOM 0 HG22 ILE A 4 128.735 -1.196 9.259 1.00 0.00 H new ATOM 0 HG23 ILE A 4 129.348 0.248 8.418 1.00 0.00 H new ATOM 0 HD11 ILE A 4 127.188 3.933 10.679 1.00 0.00 H new ATOM 0 HD12 ILE A 4 126.070 2.795 9.890 1.00 0.00 H new ATOM 0 HD13 ILE A 4 126.665 2.462 11.534 1.00 0.00 H new ATOM 57 N LYS A 5 127.232 2.018 6.965 1.00 0.00 N ATOM 58 CA LYS A 5 127.729 2.389 5.646 1.00 0.00 C ATOM 59 C LYS A 5 129.137 2.974 5.721 1.00 0.00 C ATOM 60 O LYS A 5 129.601 3.390 6.783 1.00 0.00 O ATOM 61 CB LYS A 5 126.786 3.406 5.004 1.00 0.00 C ATOM 62 CG LYS A 5 125.432 2.747 4.726 1.00 0.00 C ATOM 63 CD LYS A 5 124.534 3.727 3.967 1.00 0.00 C ATOM 64 CE LYS A 5 123.150 3.106 3.767 1.00 0.00 C ATOM 65 NZ LYS A 5 122.629 2.622 5.076 1.00 0.00 N ATOM 0 H LYS A 5 126.909 2.801 7.533 1.00 0.00 H new ATOM 0 HA LYS A 5 127.770 1.485 5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 5 126.656 4.264 5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 5 127.217 3.781 4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 5 125.571 1.837 4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 5 124.959 2.454 5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 5 124.448 4.661 4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 5 124.978 3.970 3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 5 122.468 3.842 3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 5 123.209 2.279 3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 121.590 2.598 5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 122.992 1.666 5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 122.941 3.264 5.833 1.00 0.00 H new ATOM 79 N CYS A 6 129.798 3.005 4.568 1.00 0.00 N ATOM 80 CA CYS A 6 131.150 3.542 4.458 1.00 0.00 C ATOM 81 C CYS A 6 131.269 4.350 3.170 1.00 0.00 C ATOM 82 O CYS A 6 130.492 4.149 2.237 1.00 0.00 O ATOM 83 CB CYS A 6 132.173 2.404 4.453 1.00 0.00 C ATOM 84 SG CYS A 6 133.085 2.419 2.889 1.00 0.00 S ATOM 0 H CYS A 6 129.414 2.661 3.688 1.00 0.00 H new ATOM 0 HA CYS A 6 131.350 4.187 5.314 1.00 0.00 H new ATOM 0 HB2 CYS A 6 132.863 2.517 5.290 1.00 0.00 H new ATOM 0 HB3 CYS A 6 131.668 1.447 4.583 1.00 0.00 H new ATOM 0 HG CYS A 6 134.012 3.330 2.936 1.00 0.00 H new ATOM 90 N VAL A 7 132.227 5.271 3.121 1.00 0.00 N ATOM 91 CA VAL A 7 132.405 6.100 1.931 1.00 0.00 C ATOM 92 C VAL A 7 133.812 5.958 1.354 1.00 0.00 C ATOM 93 O VAL A 7 134.803 5.998 2.086 1.00 0.00 O ATOM 94 CB VAL A 7 132.149 7.570 2.274 1.00 0.00 C ATOM 95 CG1 VAL A 7 132.300 8.425 1.014 1.00 0.00 C ATOM 96 CG2 VAL A 7 130.731 7.727 2.826 1.00 0.00 C ATOM 0 H VAL A 7 132.883 5.461 3.878 1.00 0.00 H new ATOM 0 HA VAL A 7 131.689 5.760 1.183 1.00 0.00 H new ATOM 0 HB VAL A 7 132.870 7.896 3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 7 132.117 9.471 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 7 133.310 8.316 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 7 131.580 8.098 0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 7 130.549 8.774 3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 7 130.011 7.399 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 7 130.621 7.121 3.725 1.00 0.00 H new ATOM 100 N VAL A 8 133.888 5.806 0.031 1.00 0.00 N ATOM 101 CA VAL A 8 135.171 5.679 -0.643 1.00 0.00 C ATOM 102 C VAL A 8 136.111 6.796 -0.202 1.00 0.00 C ATOM 103 O VAL A 8 135.767 7.975 -0.301 1.00 0.00 O ATOM 104 CB VAL A 8 134.975 5.778 -2.152 1.00 0.00 C ATOM 105 CG1 VAL A 8 134.661 7.226 -2.532 1.00 0.00 C ATOM 106 CG2 VAL A 8 136.257 5.333 -2.853 1.00 0.00 C ATOM 0 H VAL A 8 133.078 5.769 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 8 135.602 4.712 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 8 134.148 5.138 -2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 8 134.521 7.297 -3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 8 133.750 7.546 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 8 135.488 7.869 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 8 136.124 5.401 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 8 137.081 5.978 -2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 8 136.482 4.302 -2.580 1.00 0.00 H new ATOM 110 N VAL A 9 137.295 6.431 0.273 1.00 0.00 N ATOM 111 CA VAL A 9 138.262 7.431 0.709 1.00 0.00 C ATOM 112 C VAL A 9 139.606 7.209 0.019 1.00 0.00 C ATOM 113 O VAL A 9 140.103 6.084 -0.045 1.00 0.00 O ATOM 114 CB VAL A 9 138.436 7.364 2.229 1.00 0.00 C ATOM 115 CG1 VAL A 9 139.291 8.541 2.706 1.00 0.00 C ATOM 116 CG2 VAL A 9 137.060 7.428 2.899 1.00 0.00 C ATOM 0 H VAL A 9 137.606 5.464 0.366 1.00 0.00 H new ATOM 0 HA VAL A 9 137.889 8.418 0.436 1.00 0.00 H new ATOM 0 HB VAL A 9 138.932 6.430 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 9 139.411 8.488 3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 9 140.270 8.496 2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 9 138.801 9.478 2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 9 137.180 7.381 3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 9 136.567 8.362 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 9 136.453 6.587 2.564 1.00 0.00 H new ATOM 120 N GLY A 10 140.187 8.289 -0.493 1.00 0.00 N ATOM 121 CA GLY A 10 141.474 8.204 -1.175 1.00 0.00 C ATOM 122 C GLY A 10 141.308 8.343 -2.683 1.00 0.00 C ATOM 123 O GLY A 10 141.733 9.334 -3.277 1.00 0.00 O ATOM 0 H GLY A 10 139.791 9.228 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 10 142.137 8.987 -0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 10 141.948 7.250 -0.945 1.00 0.00 H new ATOM 127 N ASP A 11 140.685 7.345 -3.291 1.00 0.00 N ATOM 128 CA ASP A 11 140.454 7.351 -4.731 1.00 0.00 C ATOM 129 C ASP A 11 141.765 7.454 -5.504 1.00 0.00 C ATOM 130 O ASP A 11 142.301 6.447 -5.964 1.00 0.00 O ATOM 131 CB ASP A 11 139.545 8.521 -5.105 1.00 0.00 C ATOM 132 CG ASP A 11 138.181 8.346 -4.446 1.00 0.00 C ATOM 133 OD1 ASP A 11 137.820 7.214 -4.173 1.00 0.00 O ATOM 134 OD2 ASP A 11 137.521 9.347 -4.219 1.00 0.00 O ATOM 0 H ASP A 11 140.329 6.519 -2.810 1.00 0.00 H new ATOM 0 HA ASP A 11 139.974 6.410 -4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 11 139.996 9.460 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 11 139.432 8.574 -6.188 1.00 0.00 H new ATOM 139 N GLY A 12 142.278 8.671 -5.650 1.00 0.00 N ATOM 140 CA GLY A 12 143.525 8.871 -6.380 1.00 0.00 C ATOM 141 C GLY A 12 143.572 7.985 -7.623 1.00 0.00 C ATOM 142 O GLY A 12 144.636 7.510 -8.018 1.00 0.00 O ATOM 0 H GLY A 12 141.857 9.523 -5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 12 143.618 9.918 -6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 12 144.372 8.643 -5.733 1.00 0.00 H new ATOM 146 N ALA A 13 142.409 7.763 -8.231 1.00 0.00 N ATOM 147 CA ALA A 13 142.326 6.928 -9.426 1.00 0.00 C ATOM 148 C ALA A 13 143.087 5.622 -9.221 1.00 0.00 C ATOM 149 O ALA A 13 144.315 5.588 -9.306 1.00 0.00 O ATOM 150 CB ALA A 13 142.905 7.676 -10.629 1.00 0.00 C ATOM 0 H ALA A 13 141.517 8.147 -7.918 1.00 0.00 H new ATOM 0 HA ALA A 13 141.277 6.698 -9.613 1.00 0.00 H new ATOM 0 HB1 ALA A 13 142.839 7.046 -11.516 1.00 0.00 H new ATOM 0 HB2 ALA A 13 142.340 8.594 -10.793 1.00 0.00 H new ATOM 0 HB3 ALA A 13 143.949 7.922 -10.436 1.00 0.00 H new ATOM 156 N VAL A 14 142.349 4.549 -8.946 1.00 0.00 N ATOM 157 CA VAL A 14 142.966 3.244 -8.723 1.00 0.00 C ATOM 158 C VAL A 14 142.207 2.144 -9.464 1.00 0.00 C ATOM 159 O VAL A 14 142.208 2.095 -10.694 1.00 0.00 O ATOM 160 CB VAL A 14 142.987 2.931 -7.226 1.00 0.00 C ATOM 161 CG1 VAL A 14 143.918 3.911 -6.511 1.00 0.00 C ATOM 162 CG2 VAL A 14 141.572 3.072 -6.657 1.00 0.00 C ATOM 0 H VAL A 14 141.332 4.556 -8.873 1.00 0.00 H new ATOM 0 HA VAL A 14 143.985 3.279 -9.107 1.00 0.00 H new ATOM 0 HB VAL A 14 143.344 1.912 -7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 14 143.932 3.687 -5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 14 144.926 3.816 -6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 14 143.560 4.929 -6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 14 141.585 2.849 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 14 141.218 4.091 -6.811 1.00 0.00 H new ATOM 0 HG23 VAL A 14 140.905 2.376 -7.165 1.00 0.00 H new ATOM 166 N GLY A 15 141.559 1.265 -8.704 1.00 0.00 N ATOM 167 CA GLY A 15 140.794 0.167 -9.295 1.00 0.00 C ATOM 168 C GLY A 15 139.937 -0.529 -8.240 1.00 0.00 C ATOM 169 O GLY A 15 140.137 -1.706 -7.935 1.00 0.00 O ATOM 0 H GLY A 15 141.547 1.289 -7.684 1.00 0.00 H new ATOM 0 HA2 GLY A 15 140.157 0.550 -10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 15 141.475 -0.553 -9.749 1.00 0.00 H new ATOM 173 N LYS A 16 138.988 0.209 -7.676 1.00 0.00 N ATOM 174 CA LYS A 16 138.120 -0.342 -6.648 1.00 0.00 C ATOM 175 C LYS A 16 137.103 -1.317 -7.246 1.00 0.00 C ATOM 176 O LYS A 16 136.310 -1.917 -6.520 1.00 0.00 O ATOM 177 CB LYS A 16 137.385 0.797 -5.955 1.00 0.00 C ATOM 178 CG LYS A 16 138.402 1.822 -5.453 1.00 0.00 C ATOM 179 CD LYS A 16 137.683 2.899 -4.642 1.00 0.00 C ATOM 180 CE LYS A 16 138.564 4.146 -4.552 1.00 0.00 C ATOM 181 NZ LYS A 16 138.026 5.196 -5.464 1.00 0.00 N ATOM 0 H LYS A 16 138.802 1.184 -7.913 1.00 0.00 H new ATOM 0 HA LYS A 16 138.733 -0.888 -5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 16 136.687 1.269 -6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 16 136.797 0.412 -5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 16 139.156 1.331 -4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 16 138.924 2.275 -6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 16 136.731 3.147 -5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 16 137.459 2.527 -3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 16 138.587 4.516 -3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 16 139.590 3.901 -4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 138.683 5.336 -6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 137.100 4.896 -5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 137.919 6.089 -4.941 1.00 0.00 H new ATOM 195 N THR A 17 137.124 -1.461 -8.569 1.00 0.00 N ATOM 196 CA THR A 17 136.188 -2.359 -9.243 1.00 0.00 C ATOM 197 C THR A 17 136.376 -3.803 -8.783 1.00 0.00 C ATOM 198 O THR A 17 135.401 -4.526 -8.574 1.00 0.00 O ATOM 199 CB THR A 17 136.389 -2.282 -10.758 1.00 0.00 C ATOM 200 OG1 THR A 17 137.681 -2.772 -11.088 1.00 0.00 O ATOM 201 CG2 THR A 17 136.258 -0.831 -11.221 1.00 0.00 C ATOM 0 H THR A 17 137.770 -0.974 -9.190 1.00 0.00 H new ATOM 0 HA THR A 17 135.177 -2.042 -8.986 1.00 0.00 H new ATOM 0 HB THR A 17 135.632 -2.888 -11.256 1.00 0.00 H new ATOM 0 HG1 THR A 17 138.290 -2.018 -11.233 1.00 0.00 H new ATOM 0 HG21 THR A 17 136.402 -0.779 -12.300 1.00 0.00 H new ATOM 0 HG22 THR A 17 135.266 -0.457 -10.969 1.00 0.00 H new ATOM 0 HG23 THR A 17 137.013 -0.221 -10.725 1.00 0.00 H new ATOM 206 N CYS A 18 137.627 -4.221 -8.631 1.00 0.00 N ATOM 207 CA CYS A 18 137.914 -5.587 -8.199 1.00 0.00 C ATOM 208 C CYS A 18 138.140 -5.648 -6.690 1.00 0.00 C ATOM 209 O CYS A 18 138.251 -6.728 -6.107 1.00 0.00 O ATOM 210 CB CYS A 18 139.152 -6.115 -8.925 1.00 0.00 C ATOM 211 SG CYS A 18 138.765 -6.368 -10.674 1.00 0.00 S ATOM 0 H CYS A 18 138.451 -3.643 -8.798 1.00 0.00 H new ATOM 0 HA CYS A 18 137.053 -6.209 -8.445 1.00 0.00 H new ATOM 0 HB2 CYS A 18 139.976 -5.408 -8.823 1.00 0.00 H new ATOM 0 HB3 CYS A 18 139.478 -7.052 -8.475 1.00 0.00 H new ATOM 0 HG CYS A 18 139.492 -7.338 -11.143 1.00 0.00 H new ATOM 217 N LEU A 19 138.198 -4.484 -6.064 1.00 0.00 N ATOM 218 CA LEU A 19 138.407 -4.414 -4.620 1.00 0.00 C ATOM 219 C LEU A 19 137.210 -4.988 -3.862 1.00 0.00 C ATOM 220 O LEU A 19 137.309 -6.025 -3.212 1.00 0.00 O ATOM 221 CB LEU A 19 138.628 -2.951 -4.207 1.00 0.00 C ATOM 222 CG LEU A 19 138.815 -2.822 -2.686 1.00 0.00 C ATOM 223 CD1 LEU A 19 140.203 -3.320 -2.283 1.00 0.00 C ATOM 224 CD2 LEU A 19 138.676 -1.350 -2.291 1.00 0.00 C ATOM 0 H LEU A 19 138.105 -3.579 -6.525 1.00 0.00 H new ATOM 0 HA LEU A 19 139.286 -5.008 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 19 139.505 -2.555 -4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 19 137.776 -2.349 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 19 138.060 -3.422 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 19 140.325 -3.224 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 19 140.311 -4.366 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 19 140.964 -2.725 -2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 19 138.807 -1.248 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 19 139.436 -0.762 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 19 137.686 -0.990 -2.572 1.00 0.00 H new ATOM 230 N LEU A 20 136.088 -4.287 -3.941 1.00 0.00 N ATOM 231 CA LEU A 20 134.871 -4.696 -3.252 1.00 0.00 C ATOM 232 C LEU A 20 134.325 -6.005 -3.807 1.00 0.00 C ATOM 233 O LEU A 20 133.630 -6.741 -3.107 1.00 0.00 O ATOM 234 CB LEU A 20 133.812 -3.596 -3.383 1.00 0.00 C ATOM 235 CG LEU A 20 134.359 -2.278 -2.820 1.00 0.00 C ATOM 236 CD1 LEU A 20 133.265 -1.213 -2.868 1.00 0.00 C ATOM 237 CD2 LEU A 20 134.801 -2.478 -1.368 1.00 0.00 C ATOM 0 H LEU A 20 135.995 -3.426 -4.480 1.00 0.00 H new ATOM 0 HA LEU A 20 135.115 -4.854 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 20 133.535 -3.468 -4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 20 132.908 -3.884 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 20 135.212 -1.960 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 20 133.652 -0.276 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 20 132.947 -1.064 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 20 132.414 -1.539 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 20 135.189 -1.539 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 20 133.949 -2.799 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 20 135.581 -3.238 -1.327 1.00 0.00 H new ATOM 243 N ILE A 21 134.624 -6.288 -5.065 1.00 0.00 N ATOM 244 CA ILE A 21 134.132 -7.510 -5.683 1.00 0.00 C ATOM 245 C ILE A 21 134.612 -8.736 -4.911 1.00 0.00 C ATOM 246 O ILE A 21 134.057 -9.823 -5.066 1.00 0.00 O ATOM 247 CB ILE A 21 134.603 -7.602 -7.140 1.00 0.00 C ATOM 248 CG1 ILE A 21 133.501 -8.243 -7.992 1.00 0.00 C ATOM 249 CG2 ILE A 21 135.859 -8.475 -7.226 1.00 0.00 C ATOM 250 CD1 ILE A 21 133.929 -8.241 -9.461 1.00 0.00 C ATOM 0 H ILE A 21 135.196 -5.699 -5.671 1.00 0.00 H new ATOM 0 HA ILE A 21 133.043 -7.483 -5.661 1.00 0.00 H new ATOM 0 HB ILE A 21 134.825 -6.599 -7.505 1.00 0.00 H new ATOM 0 HG12 ILE A 21 133.315 -9.263 -7.657 1.00 0.00 H new ATOM 0 HG13 ILE A 21 132.568 -7.693 -7.873 1.00 0.00 H new ATOM 0 HG21 ILE A 21 136.189 -8.537 -8.263 1.00 0.00 H new ATOM 0 HG22 ILE A 21 136.650 -8.035 -6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 21 135.633 -9.475 -6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 21 133.147 -8.696 -10.068 1.00 0.00 H new ATOM 0 HD12 ILE A 21 134.094 -7.215 -9.791 1.00 0.00 H new ATOM 0 HD13 ILE A 21 134.852 -8.810 -9.572 1.00 0.00 H new ATOM 254 N SER A 22 135.658 -8.581 -4.097 1.00 0.00 N ATOM 255 CA SER A 22 136.169 -9.738 -3.353 1.00 0.00 C ATOM 256 C SER A 22 135.153 -10.229 -2.316 1.00 0.00 C ATOM 257 O SER A 22 134.508 -11.253 -2.540 1.00 0.00 O ATOM 258 CB SER A 22 137.489 -9.400 -2.669 1.00 0.00 C ATOM 259 OG SER A 22 138.438 -10.418 -2.960 1.00 0.00 O ATOM 0 H SER A 22 136.153 -7.703 -3.938 1.00 0.00 H new ATOM 0 HA SER A 22 136.338 -10.540 -4.072 1.00 0.00 H new ATOM 0 HB2 SER A 22 137.856 -8.434 -3.016 1.00 0.00 H new ATOM 0 HB3 SER A 22 137.344 -9.318 -1.592 1.00 0.00 H new ATOM 0 HG SER A 22 139.290 -10.205 -2.524 1.00 0.00 H new ATOM 265 N TYR A 23 135.002 -9.526 -1.183 1.00 0.00 N ATOM 266 CA TYR A 23 134.045 -9.977 -0.179 1.00 0.00 C ATOM 267 C TYR A 23 132.769 -10.457 -0.865 1.00 0.00 C ATOM 268 O TYR A 23 132.086 -11.358 -0.378 1.00 0.00 O ATOM 269 CB TYR A 23 133.685 -8.837 0.770 1.00 0.00 C ATOM 270 CG TYR A 23 132.492 -8.107 0.210 1.00 0.00 C ATOM 271 CD1 TYR A 23 131.199 -8.563 0.497 1.00 0.00 C ATOM 272 CD2 TYR A 23 132.674 -6.991 -0.610 1.00 0.00 C ATOM 273 CE1 TYR A 23 130.089 -7.899 -0.037 1.00 0.00 C ATOM 274 CE2 TYR A 23 131.564 -6.329 -1.147 1.00 0.00 C ATOM 275 CZ TYR A 23 130.272 -6.781 -0.860 1.00 0.00 C ATOM 276 OH TYR A 23 129.180 -6.128 -1.390 1.00 0.00 O ATOM 0 H TYR A 23 135.513 -8.674 -0.950 1.00 0.00 H new ATOM 0 HA TYR A 23 134.501 -10.790 0.387 1.00 0.00 H new ATOM 0 HB2 TYR A 23 133.459 -9.227 1.762 1.00 0.00 H new ATOM 0 HB3 TYR A 23 134.528 -8.155 0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 23 131.059 -9.427 1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 23 133.671 -6.639 -0.830 1.00 0.00 H new ATOM 0 HE1 TYR A 23 129.092 -8.249 0.186 1.00 0.00 H new ATOM 0 HE2 TYR A 23 131.705 -5.468 -1.784 1.00 0.00 H new ATOM 0 HH TYR A 23 129.259 -5.166 -1.218 1.00 0.00 H new ATOM 286 N THR A 24 132.453 -9.834 -1.999 1.00 0.00 N ATOM 287 CA THR A 24 131.253 -10.183 -2.750 1.00 0.00 C ATOM 288 C THR A 24 131.246 -11.664 -3.127 1.00 0.00 C ATOM 289 O THR A 24 130.236 -12.347 -2.956 1.00 0.00 O ATOM 290 CB THR A 24 131.176 -9.336 -4.021 1.00 0.00 C ATOM 291 OG1 THR A 24 131.618 -8.015 -3.735 1.00 0.00 O ATOM 292 CG2 THR A 24 129.730 -9.293 -4.519 1.00 0.00 C ATOM 0 H THR A 24 133.010 -9.088 -2.415 1.00 0.00 H new ATOM 0 HA THR A 24 130.388 -9.985 -2.117 1.00 0.00 H new ATOM 0 HB THR A 24 131.812 -9.775 -4.790 1.00 0.00 H new ATOM 0 HG1 THR A 24 131.325 -7.759 -2.836 1.00 0.00 H new ATOM 0 HG21 THR A 24 129.675 -8.689 -5.425 1.00 0.00 H new ATOM 0 HG22 THR A 24 129.390 -10.305 -4.736 1.00 0.00 H new ATOM 0 HG23 THR A 24 129.094 -8.854 -3.751 1.00 0.00 H new ATOM 297 N THR A 25 132.372 -12.160 -3.643 1.00 0.00 N ATOM 298 CA THR A 25 132.460 -13.565 -4.037 1.00 0.00 C ATOM 299 C THR A 25 133.805 -13.881 -4.690 1.00 0.00 C ATOM 300 O THR A 25 134.098 -15.039 -4.986 1.00 0.00 O ATOM 301 CB THR A 25 131.336 -13.909 -5.020 1.00 0.00 C ATOM 302 OG1 THR A 25 130.612 -12.732 -5.348 1.00 0.00 O ATOM 303 CG2 THR A 25 130.393 -14.932 -4.385 1.00 0.00 C ATOM 0 H THR A 25 133.223 -11.619 -3.796 1.00 0.00 H new ATOM 0 HA THR A 25 132.362 -14.165 -3.132 1.00 0.00 H new ATOM 0 HB THR A 25 131.768 -14.331 -5.927 1.00 0.00 H new ATOM 0 HG1 THR A 25 129.855 -12.631 -4.733 1.00 0.00 H new ATOM 0 HG21 THR A 25 129.594 -15.175 -5.086 1.00 0.00 H new ATOM 0 HG22 THR A 25 130.949 -15.837 -4.141 1.00 0.00 H new ATOM 0 HG23 THR A 25 129.962 -14.514 -3.475 1.00 0.00 H new ATOM 308 N ASN A 26 134.619 -12.854 -4.920 1.00 0.00 N ATOM 309 CA ASN A 26 135.924 -13.063 -5.544 1.00 0.00 C ATOM 310 C ASN A 26 135.772 -13.748 -6.899 1.00 0.00 C ATOM 311 O ASN A 26 135.832 -14.974 -6.995 1.00 0.00 O ATOM 312 CB ASN A 26 136.811 -13.913 -4.633 1.00 0.00 C ATOM 313 CG ASN A 26 138.190 -14.087 -5.259 1.00 0.00 C ATOM 314 OD1 ASN A 26 138.365 -13.845 -6.453 1.00 0.00 O ATOM 315 ND2 ASN A 26 139.185 -14.492 -4.520 1.00 0.00 N ATOM 0 H ASN A 26 134.404 -11.884 -4.689 1.00 0.00 H new ATOM 0 HA ASN A 26 136.390 -12.089 -5.696 1.00 0.00 H new ATOM 0 HB2 ASN A 26 136.904 -13.438 -3.656 1.00 0.00 H new ATOM 0 HB3 ASN A 26 136.351 -14.888 -4.471 1.00 0.00 H new ATOM 0 HD21 ASN A 26 140.111 -14.609 -4.931 1.00 0.00 H new ATOM 0 HD22 ASN A 26 139.037 -14.692 -3.531 1.00 0.00 H new ATOM 320 N LYS A 27 135.572 -12.949 -7.941 1.00 0.00 N ATOM 321 CA LYS A 27 135.408 -13.488 -9.287 1.00 0.00 C ATOM 322 C LYS A 27 136.752 -13.608 -9.998 1.00 0.00 C ATOM 323 O LYS A 27 136.804 -13.896 -11.194 1.00 0.00 O ATOM 324 CB LYS A 27 134.474 -12.590 -10.102 1.00 0.00 C ATOM 325 CG LYS A 27 133.076 -12.620 -9.484 1.00 0.00 C ATOM 326 CD LYS A 27 132.111 -11.827 -10.365 1.00 0.00 C ATOM 327 CE LYS A 27 130.736 -11.774 -9.696 1.00 0.00 C ATOM 328 NZ LYS A 27 130.563 -12.969 -8.822 1.00 0.00 N ATOM 0 H LYS A 27 135.520 -11.932 -7.881 1.00 0.00 H new ATOM 0 HA LYS A 27 134.973 -14.484 -9.201 1.00 0.00 H new ATOM 0 HB2 LYS A 27 134.855 -11.569 -10.118 1.00 0.00 H new ATOM 0 HB3 LYS A 27 134.434 -12.931 -11.136 1.00 0.00 H new ATOM 0 HG2 LYS A 27 132.732 -13.650 -9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 27 133.101 -12.195 -8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 27 132.490 -10.817 -10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 27 132.032 -12.293 -11.347 1.00 0.00 H new ATOM 0 HE2 LYS A 27 130.641 -10.862 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 27 129.952 -11.747 -10.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 129.579 -13.015 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 130.786 -13.829 -9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 131.203 -12.897 -8.005 1.00 0.00 H new ATOM 342 N LEU A 28 137.837 -13.381 -9.261 1.00 0.00 N ATOM 343 CA LEU A 28 139.175 -13.465 -9.839 1.00 0.00 C ATOM 344 C LEU A 28 139.347 -12.410 -10.935 1.00 0.00 C ATOM 345 O LEU A 28 138.381 -12.050 -11.606 1.00 0.00 O ATOM 346 CB LEU A 28 139.409 -14.865 -10.424 1.00 0.00 C ATOM 347 CG LEU A 28 139.063 -15.925 -9.376 1.00 0.00 C ATOM 348 CD1 LEU A 28 138.037 -16.902 -9.954 1.00 0.00 C ATOM 349 CD2 LEU A 28 140.330 -16.692 -8.991 1.00 0.00 C ATOM 0 H LEU A 28 137.816 -13.139 -8.270 1.00 0.00 H new ATOM 0 HA LEU A 28 139.906 -13.280 -9.052 1.00 0.00 H new ATOM 0 HB2 LEU A 28 138.795 -15.005 -11.314 1.00 0.00 H new ATOM 0 HB3 LEU A 28 140.449 -14.971 -10.734 1.00 0.00 H new ATOM 0 HG LEU A 28 138.646 -15.439 -8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 28 137.792 -17.656 -9.206 1.00 0.00 H new ATOM 0 HD12 LEU A 28 137.134 -16.359 -10.232 1.00 0.00 H new ATOM 0 HD13 LEU A 28 138.454 -17.388 -10.836 1.00 0.00 H new ATOM 0 HD21 LEU A 28 140.085 -17.448 -8.244 1.00 0.00 H new ATOM 0 HD22 LEU A 28 140.745 -17.176 -9.875 1.00 0.00 H new ATOM 0 HD23 LEU A 28 141.064 -15.999 -8.579 1.00 0.00 H new ATOM 355 N PRO A 29 140.545 -11.906 -11.129 1.00 0.00 N ATOM 356 CA PRO A 29 140.814 -10.872 -12.168 1.00 0.00 C ATOM 357 C PRO A 29 140.093 -11.165 -13.481 1.00 0.00 C ATOM 358 O PRO A 29 139.971 -12.321 -13.889 1.00 0.00 O ATOM 359 CB PRO A 29 142.329 -10.946 -12.361 1.00 0.00 C ATOM 360 CG PRO A 29 142.879 -11.453 -11.068 1.00 0.00 C ATOM 361 CD PRO A 29 141.768 -12.255 -10.383 1.00 0.00 C ATOM 0 HA PRO A 29 140.458 -9.888 -11.863 1.00 0.00 H new ATOM 0 HB2 PRO A 29 142.586 -11.613 -13.184 1.00 0.00 H new ATOM 0 HB3 PRO A 29 142.741 -9.966 -12.604 1.00 0.00 H new ATOM 0 HG2 PRO A 29 143.754 -12.080 -11.242 1.00 0.00 H new ATOM 0 HG3 PRO A 29 143.201 -10.625 -10.436 1.00 0.00 H new ATOM 0 HD2 PRO A 29 141.967 -13.326 -10.427 1.00 0.00 H new ATOM 0 HD3 PRO A 29 141.679 -11.990 -9.329 1.00 0.00 H new ATOM 369 N SER A 30 139.624 -10.110 -14.139 1.00 0.00 N ATOM 370 CA SER A 30 138.922 -10.261 -15.409 1.00 0.00 C ATOM 371 C SER A 30 139.493 -9.300 -16.447 1.00 0.00 C ATOM 372 O SER A 30 140.056 -8.262 -16.101 1.00 0.00 O ATOM 373 CB SER A 30 137.430 -9.986 -15.219 1.00 0.00 C ATOM 374 OG SER A 30 137.243 -8.613 -14.901 1.00 0.00 O ATOM 0 H SER A 30 139.716 -9.147 -13.817 1.00 0.00 H new ATOM 0 HA SER A 30 139.057 -11.284 -15.761 1.00 0.00 H new ATOM 0 HB2 SER A 30 136.883 -10.239 -16.127 1.00 0.00 H new ATOM 0 HB3 SER A 30 137.031 -10.614 -14.422 1.00 0.00 H new ATOM 0 HG SER A 30 137.106 -8.102 -15.726 1.00 0.00 H new ATOM 380 N GLU A 31 139.344 -9.652 -17.721 1.00 0.00 N ATOM 381 CA GLU A 31 139.850 -8.812 -18.801 1.00 0.00 C ATOM 382 C GLU A 31 139.014 -7.542 -18.939 1.00 0.00 C ATOM 383 O GLU A 31 139.435 -6.577 -19.576 1.00 0.00 O ATOM 384 CB GLU A 31 139.848 -9.591 -20.119 1.00 0.00 C ATOM 385 CG GLU A 31 138.412 -9.801 -20.604 1.00 0.00 C ATOM 386 CD GLU A 31 138.413 -10.698 -21.838 1.00 0.00 C ATOM 387 OE1 GLU A 31 139.489 -11.019 -22.313 1.00 0.00 O ATOM 388 OE2 GLU A 31 137.337 -11.052 -22.290 1.00 0.00 O ATOM 0 H GLU A 31 138.880 -10.507 -18.029 1.00 0.00 H new ATOM 0 HA GLU A 31 140.873 -8.523 -18.560 1.00 0.00 H new ATOM 0 HB2 GLU A 31 140.419 -9.048 -20.872 1.00 0.00 H new ATOM 0 HB3 GLU A 31 140.338 -10.555 -19.981 1.00 0.00 H new ATOM 0 HG2 GLU A 31 137.813 -10.254 -19.814 1.00 0.00 H new ATOM 0 HG3 GLU A 31 137.954 -8.841 -20.841 1.00 0.00 H new ATOM 395 N TYR A 32 137.832 -7.544 -18.331 1.00 0.00 N ATOM 396 CA TYR A 32 136.953 -6.380 -18.391 1.00 0.00 C ATOM 397 C TYR A 32 136.821 -5.734 -17.015 1.00 0.00 C ATOM 398 O TYR A 32 136.686 -6.424 -16.005 1.00 0.00 O ATOM 399 CB TYR A 32 135.564 -6.784 -18.887 1.00 0.00 C ATOM 400 CG TYR A 32 135.651 -7.304 -20.300 1.00 0.00 C ATOM 401 CD1 TYR A 32 135.999 -6.441 -21.346 1.00 0.00 C ATOM 402 CD2 TYR A 32 135.377 -8.650 -20.564 1.00 0.00 C ATOM 403 CE1 TYR A 32 136.075 -6.926 -22.657 1.00 0.00 C ATOM 404 CE2 TYR A 32 135.451 -9.135 -21.876 1.00 0.00 C ATOM 405 CZ TYR A 32 135.800 -8.274 -22.922 1.00 0.00 C ATOM 406 OH TYR A 32 135.873 -8.751 -24.215 1.00 0.00 O ATOM 0 H TYR A 32 137.463 -8.330 -17.796 1.00 0.00 H new ATOM 0 HA TYR A 32 137.394 -5.664 -19.085 1.00 0.00 H new ATOM 0 HB2 TYR A 32 135.144 -7.550 -18.234 1.00 0.00 H new ATOM 0 HB3 TYR A 32 134.891 -5.927 -18.847 1.00 0.00 H new ATOM 0 HD1 TYR A 32 136.209 -5.401 -21.142 1.00 0.00 H new ATOM 0 HD2 TYR A 32 135.108 -9.315 -19.757 1.00 0.00 H new ATOM 0 HE1 TYR A 32 136.346 -6.261 -23.464 1.00 0.00 H new ATOM 0 HE2 TYR A 32 135.239 -10.174 -22.080 1.00 0.00 H new ATOM 0 HH TYR A 32 135.654 -9.706 -24.224 1.00 0.00 H new ATOM 416 N VAL A 33 136.850 -4.406 -16.988 1.00 0.00 N ATOM 417 CA VAL A 33 136.723 -3.672 -15.735 1.00 0.00 C ATOM 418 C VAL A 33 135.588 -2.659 -15.835 1.00 0.00 C ATOM 419 O VAL A 33 135.822 -1.465 -16.021 1.00 0.00 O ATOM 420 CB VAL A 33 138.034 -2.946 -15.416 1.00 0.00 C ATOM 421 CG1 VAL A 33 137.975 -2.359 -14.000 1.00 0.00 C ATOM 422 CG2 VAL A 33 139.199 -3.934 -15.510 1.00 0.00 C ATOM 0 H VAL A 33 136.960 -3.819 -17.815 1.00 0.00 H new ATOM 0 HA VAL A 33 136.502 -4.380 -14.936 1.00 0.00 H new ATOM 0 HB VAL A 33 138.180 -2.138 -16.133 1.00 0.00 H new ATOM 0 HG11 VAL A 33 138.910 -1.844 -13.780 1.00 0.00 H new ATOM 0 HG12 VAL A 33 137.148 -1.652 -13.933 1.00 0.00 H new ATOM 0 HG13 VAL A 33 137.825 -3.163 -13.279 1.00 0.00 H new ATOM 0 HG21 VAL A 33 140.132 -3.419 -15.283 1.00 0.00 H new ATOM 0 HG22 VAL A 33 139.048 -4.743 -14.795 1.00 0.00 H new ATOM 0 HG23 VAL A 33 139.247 -4.345 -16.518 1.00 0.00 H new ATOM 426 N PRO A 34 134.370 -3.117 -15.724 1.00 0.00 N ATOM 427 CA PRO A 34 133.167 -2.239 -15.814 1.00 0.00 C ATOM 428 C PRO A 34 133.270 -1.019 -14.903 1.00 0.00 C ATOM 429 O PRO A 34 133.745 -1.114 -13.771 1.00 0.00 O ATOM 430 CB PRO A 34 132.015 -3.147 -15.380 1.00 0.00 C ATOM 431 CG PRO A 34 132.484 -4.540 -15.636 1.00 0.00 C ATOM 432 CD PRO A 34 134.008 -4.525 -15.502 1.00 0.00 C ATOM 0 HA PRO A 34 133.038 -1.831 -16.817 1.00 0.00 H new ATOM 0 HB2 PRO A 34 131.776 -3.001 -14.326 1.00 0.00 H new ATOM 0 HB3 PRO A 34 131.109 -2.928 -15.945 1.00 0.00 H new ATOM 0 HG2 PRO A 34 132.040 -5.235 -14.923 1.00 0.00 H new ATOM 0 HG3 PRO A 34 132.187 -4.871 -16.631 1.00 0.00 H new ATOM 0 HD2 PRO A 34 134.326 -4.868 -14.518 1.00 0.00 H new ATOM 0 HD3 PRO A 34 134.480 -5.179 -16.235 1.00 0.00 H new ATOM 440 N THR A 35 132.818 0.122 -15.408 1.00 0.00 N ATOM 441 CA THR A 35 132.855 1.360 -14.640 1.00 0.00 C ATOM 442 C THR A 35 131.440 1.867 -14.387 1.00 0.00 C ATOM 443 O THR A 35 131.221 3.065 -14.201 1.00 0.00 O ATOM 444 CB THR A 35 133.654 2.422 -15.399 1.00 0.00 C ATOM 445 OG1 THR A 35 132.964 2.767 -16.592 1.00 0.00 O ATOM 446 CG2 THR A 35 135.035 1.867 -15.747 1.00 0.00 C ATOM 0 H THR A 35 132.423 0.216 -16.344 1.00 0.00 H new ATOM 0 HA THR A 35 133.337 1.162 -13.683 1.00 0.00 H new ATOM 0 HB THR A 35 133.768 3.309 -14.776 1.00 0.00 H new ATOM 0 HG1 THR A 35 133.473 3.448 -17.079 1.00 0.00 H new ATOM 0 HG21 THR A 35 135.605 2.623 -16.288 1.00 0.00 H new ATOM 0 HG22 THR A 35 135.562 1.602 -14.831 1.00 0.00 H new ATOM 0 HG23 THR A 35 134.924 0.980 -16.371 1.00 0.00 H new ATOM 451 N VAL A 36 130.481 0.947 -14.389 1.00 0.00 N ATOM 452 CA VAL A 36 129.086 1.311 -14.165 1.00 0.00 C ATOM 453 C VAL A 36 128.507 0.524 -12.996 1.00 0.00 C ATOM 454 O VAL A 36 129.041 -0.514 -12.607 1.00 0.00 O ATOM 455 CB VAL A 36 128.267 1.032 -15.425 1.00 0.00 C ATOM 456 CG1 VAL A 36 128.857 1.813 -16.601 1.00 0.00 C ATOM 457 CG2 VAL A 36 128.308 -0.466 -15.738 1.00 0.00 C ATOM 0 H VAL A 36 130.642 -0.049 -14.542 1.00 0.00 H new ATOM 0 HA VAL A 36 129.041 2.374 -13.929 1.00 0.00 H new ATOM 0 HB VAL A 36 127.235 1.343 -15.263 1.00 0.00 H new ATOM 0 HG11 VAL A 36 128.273 1.614 -17.500 1.00 0.00 H new ATOM 0 HG12 VAL A 36 128.830 2.880 -16.379 1.00 0.00 H new ATOM 0 HG13 VAL A 36 129.889 1.502 -16.763 1.00 0.00 H new ATOM 0 HG21 VAL A 36 127.724 -0.666 -16.636 1.00 0.00 H new ATOM 0 HG22 VAL A 36 129.340 -0.776 -15.900 1.00 0.00 H new ATOM 0 HG23 VAL A 36 127.889 -1.024 -14.901 1.00 0.00 H new ATOM 461 N PHE A 37 127.411 1.030 -12.438 1.00 0.00 N ATOM 462 CA PHE A 37 126.766 0.372 -11.307 1.00 0.00 C ATOM 463 C PHE A 37 127.728 0.269 -10.129 1.00 0.00 C ATOM 464 O PHE A 37 128.212 -0.814 -9.802 1.00 0.00 O ATOM 465 CB PHE A 37 126.294 -1.026 -11.714 1.00 0.00 C ATOM 466 CG PHE A 37 125.549 -1.661 -10.564 1.00 0.00 C ATOM 467 CD1 PHE A 37 124.217 -1.313 -10.313 1.00 0.00 C ATOM 468 CD2 PHE A 37 126.192 -2.601 -9.748 1.00 0.00 C ATOM 469 CE1 PHE A 37 123.527 -1.904 -9.248 1.00 0.00 C ATOM 470 CE2 PHE A 37 125.502 -3.191 -8.683 1.00 0.00 C ATOM 471 CZ PHE A 37 124.169 -2.842 -8.432 1.00 0.00 C ATOM 0 H PHE A 37 126.954 1.887 -12.748 1.00 0.00 H new ATOM 0 HA PHE A 37 125.905 0.968 -11.005 1.00 0.00 H new ATOM 0 HB2 PHE A 37 125.647 -0.963 -12.589 1.00 0.00 H new ATOM 0 HB3 PHE A 37 127.148 -1.643 -11.993 1.00 0.00 H new ATOM 0 HD1 PHE A 37 123.721 -0.588 -10.941 1.00 0.00 H new ATOM 0 HD2 PHE A 37 127.220 -2.870 -9.941 1.00 0.00 H new ATOM 0 HE1 PHE A 37 122.499 -1.636 -9.056 1.00 0.00 H new ATOM 0 HE2 PHE A 37 125.998 -3.916 -8.054 1.00 0.00 H new ATOM 0 HZ PHE A 37 123.637 -3.297 -7.609 1.00 0.00 H new ATOM 481 N ASP A 38 127.998 1.404 -9.495 1.00 0.00 N ATOM 482 CA ASP A 38 128.900 1.432 -8.351 1.00 0.00 C ATOM 483 C ASP A 38 128.309 0.641 -7.191 1.00 0.00 C ATOM 484 O ASP A 38 127.092 0.586 -7.021 1.00 0.00 O ATOM 485 CB ASP A 38 129.146 2.878 -7.913 1.00 0.00 C ATOM 486 CG ASP A 38 129.886 3.636 -9.011 1.00 0.00 C ATOM 487 OD1 ASP A 38 130.448 2.986 -9.877 1.00 0.00 O ATOM 488 OD2 ASP A 38 129.879 4.855 -8.969 1.00 0.00 O ATOM 0 H ASP A 38 127.608 2.311 -9.752 1.00 0.00 H new ATOM 0 HA ASP A 38 129.846 0.978 -8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 38 128.197 3.368 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 38 129.729 2.894 -6.992 1.00 0.00 H new ATOM 493 N ASN A 39 129.178 0.024 -6.398 1.00 0.00 N ATOM 494 CA ASN A 39 128.726 -0.766 -5.259 1.00 0.00 C ATOM 495 C ASN A 39 128.615 0.109 -4.017 1.00 0.00 C ATOM 496 O ASN A 39 129.409 1.028 -3.825 1.00 0.00 O ATOM 497 CB ASN A 39 129.709 -1.908 -4.995 1.00 0.00 C ATOM 498 CG ASN A 39 129.906 -2.728 -6.265 1.00 0.00 C ATOM 499 OD1 ASN A 39 128.923 -2.838 -7.116 1.00 0.00 O flip ATOM 500 ND2 ASN A 39 130.984 -3.278 -6.490 1.00 0.00 N flip ATOM 0 H ASN A 39 130.190 0.055 -6.521 1.00 0.00 H new ATOM 0 HA ASN A 39 127.744 -1.179 -5.490 1.00 0.00 H new ATOM 0 HB2 ASN A 39 130.665 -1.506 -4.659 1.00 0.00 H new ATOM 0 HB3 ASN A 39 129.333 -2.546 -4.195 1.00 0.00 H new ATOM 0 HD21 ASN A 39 131.750 -3.190 -5.823 1.00 0.00 H new ATOM 0 HD22 ASN A 39 131.111 -3.822 -7.344 1.00 0.00 H new ATOM 505 N TYR A 40 127.625 -0.181 -3.176 1.00 0.00 N ATOM 506 CA TYR A 40 127.418 0.585 -1.953 1.00 0.00 C ATOM 507 C TYR A 40 126.293 -0.022 -1.126 1.00 0.00 C ATOM 508 O TYR A 40 126.013 0.433 -0.017 1.00 0.00 O ATOM 509 CB TYR A 40 127.083 2.042 -2.288 1.00 0.00 C ATOM 510 CG TYR A 40 125.655 2.143 -2.763 1.00 0.00 C ATOM 511 CD1 TYR A 40 125.344 1.901 -4.106 1.00 0.00 C ATOM 512 CD2 TYR A 40 124.639 2.481 -1.861 1.00 0.00 C ATOM 513 CE1 TYR A 40 124.019 1.998 -4.547 1.00 0.00 C ATOM 514 CE2 TYR A 40 123.314 2.579 -2.301 1.00 0.00 C ATOM 515 CZ TYR A 40 123.004 2.337 -3.645 1.00 0.00 C ATOM 516 OH TYR A 40 121.698 2.434 -4.080 1.00 0.00 O ATOM 0 H TYR A 40 126.957 -0.938 -3.319 1.00 0.00 H new ATOM 0 HA TYR A 40 128.340 0.555 -1.372 1.00 0.00 H new ATOM 0 HB2 TYR A 40 127.228 2.669 -1.409 1.00 0.00 H new ATOM 0 HB3 TYR A 40 127.759 2.412 -3.059 1.00 0.00 H new ATOM 0 HD1 TYR A 40 126.127 1.639 -4.803 1.00 0.00 H new ATOM 0 HD2 TYR A 40 124.878 2.666 -0.824 1.00 0.00 H new ATOM 0 HE1 TYR A 40 123.780 1.811 -5.584 1.00 0.00 H new ATOM 0 HE2 TYR A 40 122.531 2.841 -1.605 1.00 0.00 H new ATOM 0 HH TYR A 40 121.120 2.677 -3.327 1.00 0.00 H new ATOM 526 N ALA A 41 125.650 -1.052 -1.668 1.00 0.00 N ATOM 527 CA ALA A 41 124.555 -1.708 -0.962 1.00 0.00 C ATOM 528 C ALA A 41 124.516 -3.200 -1.284 1.00 0.00 C ATOM 529 O ALA A 41 123.998 -3.608 -2.323 1.00 0.00 O ATOM 530 CB ALA A 41 123.226 -1.063 -1.352 1.00 0.00 C ATOM 0 H ALA A 41 125.865 -1.447 -2.584 1.00 0.00 H new ATOM 0 HA ALA A 41 124.718 -1.589 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 41 122.412 -1.557 -0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 41 123.243 -0.006 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 41 123.073 -1.165 -2.426 1.00 0.00 H new ATOM 536 N VAL A 42 125.055 -4.008 -0.376 1.00 0.00 N ATOM 537 CA VAL A 42 125.065 -5.456 -0.559 1.00 0.00 C ATOM 538 C VAL A 42 124.792 -6.155 0.767 1.00 0.00 C ATOM 539 O VAL A 42 125.383 -5.809 1.789 1.00 0.00 O ATOM 540 CB VAL A 42 126.416 -5.911 -1.105 1.00 0.00 C ATOM 541 CG1 VAL A 42 126.344 -7.394 -1.473 1.00 0.00 C ATOM 542 CG2 VAL A 42 126.767 -5.091 -2.347 1.00 0.00 C ATOM 0 H VAL A 42 125.489 -3.687 0.490 1.00 0.00 H new ATOM 0 HA VAL A 42 124.284 -5.719 -1.272 1.00 0.00 H new ATOM 0 HB VAL A 42 127.184 -5.763 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 42 127.308 -7.719 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 42 126.096 -7.977 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 42 125.576 -7.544 -2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 42 127.732 -5.416 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 42 126.000 -5.237 -3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 42 126.820 -4.035 -2.083 1.00 0.00 H new ATOM 546 N THR A 43 123.900 -7.137 0.747 1.00 0.00 N ATOM 547 CA THR A 43 123.567 -7.867 1.965 1.00 0.00 C ATOM 548 C THR A 43 124.148 -9.278 1.928 1.00 0.00 C ATOM 549 O THR A 43 123.725 -10.117 1.132 1.00 0.00 O ATOM 550 CB THR A 43 122.047 -7.929 2.128 1.00 0.00 C ATOM 551 OG1 THR A 43 121.697 -9.078 2.883 1.00 0.00 O ATOM 552 CG2 THR A 43 121.384 -7.998 0.752 1.00 0.00 C ATOM 0 H THR A 43 123.399 -7.444 -0.087 1.00 0.00 H new ATOM 0 HA THR A 43 124.002 -7.342 2.816 1.00 0.00 H new ATOM 0 HB THR A 43 121.703 -7.035 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 43 120.723 -9.116 2.988 1.00 0.00 H new ATOM 0 HG21 THR A 43 120.301 -8.042 0.872 1.00 0.00 H new ATOM 0 HG22 THR A 43 121.650 -7.112 0.175 1.00 0.00 H new ATOM 0 HG23 THR A 43 121.728 -8.889 0.227 1.00 0.00 H new ATOM 557 N VAL A 44 125.128 -9.527 2.795 1.00 0.00 N ATOM 558 CA VAL A 44 125.775 -10.835 2.857 1.00 0.00 C ATOM 559 C VAL A 44 125.991 -11.276 4.306 1.00 0.00 C ATOM 560 O VAL A 44 126.254 -10.453 5.184 1.00 0.00 O ATOM 561 CB VAL A 44 127.122 -10.786 2.136 1.00 0.00 C ATOM 562 CG1 VAL A 44 127.769 -12.172 2.170 1.00 0.00 C ATOM 563 CG2 VAL A 44 126.907 -10.361 0.683 1.00 0.00 C ATOM 0 H VAL A 44 125.489 -8.844 3.461 1.00 0.00 H new ATOM 0 HA VAL A 44 125.121 -11.557 2.368 1.00 0.00 H new ATOM 0 HB VAL A 44 127.774 -10.068 2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 44 128.730 -12.138 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 44 127.922 -12.477 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 44 127.117 -12.890 1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 44 127.867 -10.326 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 44 126.255 -11.080 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 44 126.445 -9.374 0.657 1.00 0.00 H new ATOM 567 N MET A 45 125.888 -12.581 4.544 1.00 0.00 N ATOM 568 CA MET A 45 126.091 -13.117 5.887 1.00 0.00 C ATOM 569 C MET A 45 127.523 -13.629 6.025 1.00 0.00 C ATOM 570 O MET A 45 128.016 -14.344 5.154 1.00 0.00 O ATOM 571 CB MET A 45 125.125 -14.273 6.152 1.00 0.00 C ATOM 572 CG MET A 45 123.765 -13.971 5.521 1.00 0.00 C ATOM 573 SD MET A 45 123.440 -12.194 5.596 1.00 0.00 S ATOM 574 CE MET A 45 122.473 -12.087 4.070 1.00 0.00 C ATOM 0 H MET A 45 125.668 -13.280 3.834 1.00 0.00 H new ATOM 0 HA MET A 45 125.907 -12.321 6.608 1.00 0.00 H new ATOM 0 HB2 MET A 45 125.529 -15.198 5.740 1.00 0.00 H new ATOM 0 HB3 MET A 45 125.012 -14.425 7.225 1.00 0.00 H new ATOM 0 HG2 MET A 45 123.751 -14.310 4.485 1.00 0.00 H new ATOM 0 HG3 MET A 45 122.981 -14.516 6.046 1.00 0.00 H new ATOM 0 HE1 MET A 45 121.559 -11.523 4.257 1.00 0.00 H new ATOM 0 HE2 MET A 45 123.060 -11.583 3.302 1.00 0.00 H new ATOM 0 HE3 MET A 45 122.217 -13.091 3.730 1.00 0.00 H new ATOM 584 N ILE A 46 128.190 -13.264 7.119 1.00 0.00 N ATOM 585 CA ILE A 46 129.564 -13.707 7.338 1.00 0.00 C ATOM 586 C ILE A 46 129.685 -14.505 8.632 1.00 0.00 C ATOM 587 O ILE A 46 129.282 -14.042 9.699 1.00 0.00 O ATOM 588 CB ILE A 46 130.493 -12.495 7.388 1.00 0.00 C ATOM 589 CG1 ILE A 46 130.372 -11.721 6.074 1.00 0.00 C ATOM 590 CG2 ILE A 46 131.937 -12.965 7.573 1.00 0.00 C ATOM 591 CD1 ILE A 46 130.233 -10.226 6.364 1.00 0.00 C ATOM 0 H ILE A 46 127.808 -12.672 7.856 1.00 0.00 H new ATOM 0 HA ILE A 46 129.851 -14.356 6.511 1.00 0.00 H new ATOM 0 HB ILE A 46 130.215 -11.851 8.223 1.00 0.00 H new ATOM 0 HG12 ILE A 46 131.250 -11.900 5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 46 129.507 -12.074 5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 46 132.599 -12.100 7.609 1.00 0.00 H new ATOM 0 HG22 ILE A 46 132.021 -13.525 8.504 1.00 0.00 H new ATOM 0 HG23 ILE A 46 132.221 -13.605 6.738 1.00 0.00 H new ATOM 0 HD11 ILE A 46 130.147 -9.680 5.425 1.00 0.00 H new ATOM 0 HD12 ILE A 46 129.341 -10.054 6.967 1.00 0.00 H new ATOM 0 HD13 ILE A 46 131.111 -9.878 6.907 1.00 0.00 H new ATOM 595 N GLY A 47 130.252 -15.704 8.527 1.00 0.00 N ATOM 596 CA GLY A 47 130.436 -16.561 9.692 1.00 0.00 C ATOM 597 C GLY A 47 129.165 -16.631 10.532 1.00 0.00 C ATOM 598 O GLY A 47 129.225 -16.787 11.752 1.00 0.00 O ATOM 0 H GLY A 47 130.590 -16.102 7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 47 130.717 -17.563 9.369 1.00 0.00 H new ATOM 0 HA3 GLY A 47 131.257 -16.181 10.300 1.00 0.00 H new ATOM 602 N GLY A 48 128.016 -16.519 9.874 1.00 0.00 N ATOM 603 CA GLY A 48 126.740 -16.573 10.580 1.00 0.00 C ATOM 604 C GLY A 48 126.467 -15.263 11.311 1.00 0.00 C ATOM 605 O GLY A 48 126.169 -15.259 12.505 1.00 0.00 O ATOM 0 H GLY A 48 127.941 -16.392 8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 48 125.936 -16.773 9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 48 126.749 -17.397 11.293 1.00 0.00 H new ATOM 609 N GLU A 49 126.560 -14.154 10.585 1.00 0.00 N ATOM 610 CA GLU A 49 126.310 -12.842 11.168 1.00 0.00 C ATOM 611 C GLU A 49 125.507 -11.982 10.196 1.00 0.00 C ATOM 612 O GLU A 49 126.062 -11.135 9.496 1.00 0.00 O ATOM 613 CB GLU A 49 127.637 -12.154 11.500 1.00 0.00 C ATOM 614 CG GLU A 49 128.435 -13.028 12.470 1.00 0.00 C ATOM 615 CD GLU A 49 129.584 -12.225 13.070 1.00 0.00 C ATOM 616 OE1 GLU A 49 129.502 -11.009 13.052 1.00 0.00 O ATOM 617 OE2 GLU A 49 130.530 -12.840 13.536 1.00 0.00 O ATOM 0 H GLU A 49 126.806 -14.138 9.595 1.00 0.00 H new ATOM 0 HA GLU A 49 125.737 -12.968 12.086 1.00 0.00 H new ATOM 0 HB2 GLU A 49 128.210 -11.987 10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 49 127.451 -11.176 11.944 1.00 0.00 H new ATOM 0 HG2 GLU A 49 127.783 -13.394 13.263 1.00 0.00 H new ATOM 0 HG3 GLU A 49 128.825 -13.902 11.949 1.00 0.00 H new ATOM 624 N PRO A 50 124.221 -12.201 10.130 1.00 0.00 N ATOM 625 CA PRO A 50 123.315 -11.448 9.212 1.00 0.00 C ATOM 626 C PRO A 50 123.445 -9.932 9.357 1.00 0.00 C ATOM 627 O PRO A 50 122.928 -9.343 10.307 1.00 0.00 O ATOM 628 CB PRO A 50 121.912 -11.910 9.616 1.00 0.00 C ATOM 629 CG PRO A 50 122.099 -13.223 10.301 1.00 0.00 C ATOM 630 CD PRO A 50 123.492 -13.197 10.930 1.00 0.00 C ATOM 0 HA PRO A 50 123.556 -11.648 8.168 1.00 0.00 H new ATOM 0 HB2 PRO A 50 121.438 -11.187 10.279 1.00 0.00 H new ATOM 0 HB3 PRO A 50 121.267 -12.012 8.743 1.00 0.00 H new ATOM 0 HG2 PRO A 50 121.334 -13.375 11.062 1.00 0.00 H new ATOM 0 HG3 PRO A 50 122.010 -14.046 9.591 1.00 0.00 H new ATOM 0 HD2 PRO A 50 123.451 -12.913 11.981 1.00 0.00 H new ATOM 0 HD3 PRO A 50 123.970 -14.175 10.883 1.00 0.00 H new ATOM 638 N TYR A 51 124.122 -9.307 8.398 1.00 0.00 N ATOM 639 CA TYR A 51 124.303 -7.857 8.405 1.00 0.00 C ATOM 640 C TYR A 51 124.655 -7.385 7.002 1.00 0.00 C ATOM 641 O TYR A 51 124.940 -8.203 6.127 1.00 0.00 O ATOM 642 CB TYR A 51 125.417 -7.462 9.375 1.00 0.00 C ATOM 643 CG TYR A 51 124.993 -7.777 10.789 1.00 0.00 C ATOM 644 CD1 TYR A 51 124.006 -7.003 11.411 1.00 0.00 C ATOM 645 CD2 TYR A 51 125.587 -8.839 11.479 1.00 0.00 C ATOM 646 CE1 TYR A 51 123.613 -7.292 12.722 1.00 0.00 C ATOM 647 CE2 TYR A 51 125.194 -9.129 12.791 1.00 0.00 C ATOM 648 CZ TYR A 51 124.207 -8.355 13.412 1.00 0.00 C ATOM 649 OH TYR A 51 123.818 -8.639 14.705 1.00 0.00 O ATOM 0 H TYR A 51 124.555 -9.781 7.605 1.00 0.00 H new ATOM 0 HA TYR A 51 123.375 -7.387 8.730 1.00 0.00 H new ATOM 0 HB2 TYR A 51 126.333 -8.000 9.131 1.00 0.00 H new ATOM 0 HB3 TYR A 51 125.637 -6.399 9.279 1.00 0.00 H new ATOM 0 HD1 TYR A 51 123.548 -6.183 10.878 1.00 0.00 H new ATOM 0 HD2 TYR A 51 126.349 -9.435 10.999 1.00 0.00 H new ATOM 0 HE1 TYR A 51 122.851 -6.695 13.202 1.00 0.00 H new ATOM 0 HE2 TYR A 51 125.652 -9.949 13.324 1.00 0.00 H new ATOM 0 HH TYR A 51 124.327 -9.407 15.039 1.00 0.00 H new ATOM 659 N THR A 52 124.649 -6.074 6.776 1.00 0.00 N ATOM 660 CA THR A 52 124.987 -5.564 5.452 1.00 0.00 C ATOM 661 C THR A 52 125.839 -4.300 5.537 1.00 0.00 C ATOM 662 O THR A 52 125.565 -3.398 6.330 1.00 0.00 O ATOM 663 CB THR A 52 123.706 -5.283 4.654 1.00 0.00 C ATOM 664 OG1 THR A 52 124.050 -4.816 3.360 1.00 0.00 O ATOM 665 CG2 THR A 52 122.852 -4.230 5.364 1.00 0.00 C ATOM 0 H THR A 52 124.421 -5.363 7.471 1.00 0.00 H new ATOM 0 HA THR A 52 125.573 -6.327 4.940 1.00 0.00 H new ATOM 0 HB THR A 52 123.132 -6.206 4.575 1.00 0.00 H new ATOM 0 HG1 THR A 52 124.783 -5.358 3.001 1.00 0.00 H new ATOM 0 HG21 THR A 52 121.948 -4.043 4.784 1.00 0.00 H new ATOM 0 HG22 THR A 52 122.579 -4.591 6.356 1.00 0.00 H new ATOM 0 HG23 THR A 52 123.420 -3.304 5.459 1.00 0.00 H new ATOM 670 N LEU A 53 126.879 -4.242 4.708 1.00 0.00 N ATOM 671 CA LEU A 53 127.757 -3.083 4.686 1.00 0.00 C ATOM 672 C LEU A 53 127.662 -2.378 3.336 1.00 0.00 C ATOM 673 O LEU A 53 127.740 -3.014 2.286 1.00 0.00 O ATOM 674 CB LEU A 53 129.209 -3.506 4.927 1.00 0.00 C ATOM 675 CG LEU A 53 129.321 -4.319 6.223 1.00 0.00 C ATOM 676 CD1 LEU A 53 128.647 -3.567 7.370 1.00 0.00 C ATOM 677 CD2 LEU A 53 128.651 -5.687 6.051 1.00 0.00 C ATOM 0 H LEU A 53 127.130 -4.979 4.049 1.00 0.00 H new ATOM 0 HA LEU A 53 127.443 -2.403 5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 53 129.566 -4.100 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 53 129.846 -2.624 4.987 1.00 0.00 H new ATOM 0 HG LEU A 53 130.377 -4.463 6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 53 128.731 -4.151 8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 53 129.134 -2.602 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 53 127.594 -3.411 7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 53 128.738 -6.254 6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 53 127.598 -5.548 5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 53 129.141 -6.233 5.245 1.00 0.00 H new ATOM 683 N GLY A 54 127.516 -1.060 3.371 1.00 0.00 N ATOM 684 CA GLY A 54 127.436 -0.276 2.143 1.00 0.00 C ATOM 685 C GLY A 54 128.724 0.512 1.961 1.00 0.00 C ATOM 686 O GLY A 54 129.149 1.223 2.868 1.00 0.00 O ATOM 0 H GLY A 54 127.451 -0.513 4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 54 127.275 -0.934 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 54 126.585 0.403 2.187 1.00 0.00 H new ATOM 690 N LEU A 55 129.360 0.371 0.805 1.00 0.00 N ATOM 691 CA LEU A 55 130.614 1.078 0.573 1.00 0.00 C ATOM 692 C LEU A 55 130.665 1.700 -0.815 1.00 0.00 C ATOM 693 O LEU A 55 130.505 1.011 -1.821 1.00 0.00 O ATOM 694 CB LEU A 55 131.789 0.111 0.735 1.00 0.00 C ATOM 695 CG LEU A 55 131.689 -0.592 2.093 1.00 0.00 C ATOM 696 CD1 LEU A 55 130.821 -1.849 1.974 1.00 0.00 C ATOM 697 CD2 LEU A 55 133.090 -0.987 2.562 1.00 0.00 C ATOM 0 H LEU A 55 129.039 -0.211 0.031 1.00 0.00 H new ATOM 0 HA LEU A 55 130.681 1.881 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 55 131.781 -0.625 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 55 132.732 0.653 0.662 1.00 0.00 H new ATOM 0 HG LEU A 55 131.234 0.088 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 55 130.757 -2.340 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 55 129.821 -1.570 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 55 131.267 -2.532 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 55 133.023 -1.487 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 55 133.540 -1.662 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 55 133.707 -0.093 2.659 1.00 0.00 H new ATOM 703 N PHE A 56 130.932 3.000 -0.863 1.00 0.00 N ATOM 704 CA PHE A 56 131.043 3.698 -2.134 1.00 0.00 C ATOM 705 C PHE A 56 132.395 3.387 -2.759 1.00 0.00 C ATOM 706 O PHE A 56 133.319 2.966 -2.064 1.00 0.00 O ATOM 707 CB PHE A 56 130.875 5.204 -1.931 1.00 0.00 C ATOM 708 CG PHE A 56 129.419 5.513 -1.676 1.00 0.00 C ATOM 709 CD1 PHE A 56 128.562 5.769 -2.753 1.00 0.00 C ATOM 710 CD2 PHE A 56 128.924 5.542 -0.366 1.00 0.00 C ATOM 711 CE1 PHE A 56 127.211 6.054 -2.521 1.00 0.00 C ATOM 712 CE2 PHE A 56 127.573 5.826 -0.135 1.00 0.00 C ATOM 713 CZ PHE A 56 126.717 6.083 -1.212 1.00 0.00 C ATOM 0 H PHE A 56 131.074 3.587 -0.041 1.00 0.00 H new ATOM 0 HA PHE A 56 130.253 3.360 -2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 56 131.483 5.539 -1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 56 131.224 5.743 -2.812 1.00 0.00 H new ATOM 0 HD1 PHE A 56 128.943 5.747 -3.763 1.00 0.00 H new ATOM 0 HD2 PHE A 56 129.585 5.345 0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 56 126.550 6.251 -3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 56 127.191 5.847 0.875 1.00 0.00 H new ATOM 0 HZ PHE A 56 125.675 6.304 -1.033 1.00 0.00 H new ATOM 723 N ASP A 57 132.514 3.604 -4.064 1.00 0.00 N ATOM 724 CA ASP A 57 133.763 3.336 -4.767 1.00 0.00 C ATOM 725 C ASP A 57 133.741 3.979 -6.154 1.00 0.00 C ATOM 726 O ASP A 57 132.718 4.520 -6.560 1.00 0.00 O ATOM 727 CB ASP A 57 133.960 1.827 -4.910 1.00 0.00 C ATOM 728 CG ASP A 57 132.880 1.242 -5.815 1.00 0.00 C ATOM 729 OD1 ASP A 57 132.123 2.016 -6.378 1.00 0.00 O ATOM 730 OD2 ASP A 57 132.830 0.029 -5.938 1.00 0.00 O ATOM 0 H ASP A 57 131.764 3.963 -4.655 1.00 0.00 H new ATOM 0 HA ASP A 57 134.586 3.761 -4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 57 134.946 1.619 -5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 57 133.920 1.352 -3.930 1.00 0.00 H new ATOM 735 N THR A 58 134.876 3.900 -6.864 1.00 0.00 N ATOM 736 CA THR A 58 135.011 4.463 -8.218 1.00 0.00 C ATOM 737 C THR A 58 136.446 4.943 -8.432 1.00 0.00 C ATOM 738 O THR A 58 137.396 4.297 -7.990 1.00 0.00 O ATOM 739 CB THR A 58 134.037 5.634 -8.457 1.00 0.00 C ATOM 740 OG1 THR A 58 134.385 6.302 -9.661 1.00 0.00 O ATOM 741 CG2 THR A 58 134.108 6.624 -7.291 1.00 0.00 C ATOM 0 H THR A 58 135.722 3.447 -6.519 1.00 0.00 H new ATOM 0 HA THR A 58 134.765 3.675 -8.930 1.00 0.00 H new ATOM 0 HB THR A 58 133.023 5.241 -8.532 1.00 0.00 H new ATOM 0 HG1 THR A 58 134.227 7.264 -9.559 1.00 0.00 H new ATOM 0 HG21 THR A 58 133.416 7.447 -7.470 1.00 0.00 H new ATOM 0 HG22 THR A 58 133.836 6.116 -6.366 1.00 0.00 H new ATOM 0 HG23 THR A 58 135.122 7.014 -7.206 1.00 0.00 H new ATOM 746 N ALA A 59 136.597 6.076 -9.108 1.00 0.00 N ATOM 747 CA ALA A 59 137.918 6.632 -9.370 1.00 0.00 C ATOM 748 C ALA A 59 137.888 8.150 -9.220 1.00 0.00 C ATOM 749 O ALA A 59 136.969 8.811 -9.700 1.00 0.00 O ATOM 750 CB ALA A 59 138.359 6.267 -10.788 1.00 0.00 C ATOM 0 H ALA A 59 135.824 6.625 -9.483 1.00 0.00 H new ATOM 0 HA ALA A 59 138.624 6.217 -8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 59 139.347 6.684 -10.980 1.00 0.00 H new ATOM 0 HB2 ALA A 59 138.397 5.182 -10.889 1.00 0.00 H new ATOM 0 HB3 ALA A 59 137.647 6.674 -11.506 1.00 0.00 H new ATOM 756 N GLY A 60 138.895 8.696 -8.548 1.00 0.00 N ATOM 757 CA GLY A 60 138.966 10.137 -8.340 1.00 0.00 C ATOM 758 C GLY A 60 137.993 10.572 -7.250 1.00 0.00 C ATOM 759 O GLY A 60 137.499 9.745 -6.484 1.00 0.00 O ATOM 0 H GLY A 60 139.667 8.168 -8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 60 139.981 10.420 -8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 60 138.734 10.656 -9.270 1.00 0.00 H new ATOM 972 N GLN A 74 126.033 10.298 6.470 1.00 0.00 N ATOM 973 CA GLN A 74 125.286 9.119 6.894 1.00 0.00 C ATOM 974 C GLN A 74 126.227 7.997 7.323 1.00 0.00 C ATOM 975 O GLN A 74 125.938 7.267 8.271 1.00 0.00 O ATOM 976 CB GLN A 74 124.393 8.622 5.754 1.00 0.00 C ATOM 977 CG GLN A 74 123.302 9.655 5.469 1.00 0.00 C ATOM 978 CD GLN A 74 122.434 9.183 4.308 1.00 0.00 C ATOM 979 OE1 GLN A 74 122.894 8.422 3.457 1.00 0.00 O ATOM 980 NE2 GLN A 74 121.195 9.587 4.226 1.00 0.00 N ATOM 0 HA GLN A 74 124.669 9.404 7.747 1.00 0.00 H new ATOM 0 HB2 GLN A 74 124.990 8.453 4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 74 123.942 7.666 6.022 1.00 0.00 H new ATOM 0 HG2 GLN A 74 122.688 9.803 6.357 1.00 0.00 H new ATOM 0 HG3 GLN A 74 123.754 10.618 5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 74 120.816 10.218 4.933 1.00 0.00 H new ATOM 0 HE22 GLN A 74 120.606 9.272 3.455 1.00 0.00 H new ATOM 987 N THR A 75 127.353 7.858 6.626 1.00 0.00 N ATOM 988 CA THR A 75 128.316 6.813 6.957 1.00 0.00 C ATOM 989 C THR A 75 129.257 7.285 8.061 1.00 0.00 C ATOM 990 O THR A 75 129.399 8.484 8.295 1.00 0.00 O ATOM 991 CB THR A 75 129.129 6.450 5.714 1.00 0.00 C ATOM 992 OG1 THR A 75 130.155 7.413 5.525 1.00 0.00 O ATOM 993 CG2 THR A 75 128.214 6.431 4.488 1.00 0.00 C ATOM 0 H THR A 75 127.618 8.449 5.838 1.00 0.00 H new ATOM 0 HA THR A 75 127.772 5.936 7.309 1.00 0.00 H new ATOM 0 HB THR A 75 129.574 5.464 5.847 1.00 0.00 H new ATOM 0 HG1 THR A 75 131.030 6.979 5.606 1.00 0.00 H new ATOM 0 HG21 THR A 75 128.796 6.172 3.604 1.00 0.00 H new ATOM 0 HG22 THR A 75 127.426 5.692 4.633 1.00 0.00 H new ATOM 0 HG23 THR A 75 127.767 7.416 4.352 1.00 0.00 H new ATOM 998 N ASP A 76 129.897 6.335 8.742 1.00 0.00 N ATOM 999 CA ASP A 76 130.817 6.680 9.824 1.00 0.00 C ATOM 1000 C ASP A 76 132.064 5.795 9.814 1.00 0.00 C ATOM 1001 O ASP A 76 132.914 5.910 10.696 1.00 0.00 O ATOM 1002 CB ASP A 76 130.109 6.537 11.173 1.00 0.00 C ATOM 1003 CG ASP A 76 129.038 7.612 11.320 1.00 0.00 C ATOM 1004 OD1 ASP A 76 129.079 8.570 10.567 1.00 0.00 O ATOM 1005 OD2 ASP A 76 128.191 7.460 12.184 1.00 0.00 O ATOM 0 H ASP A 76 129.798 5.335 8.567 1.00 0.00 H new ATOM 0 HA ASP A 76 131.131 7.712 9.671 1.00 0.00 H new ATOM 0 HB2 ASP A 76 129.656 5.549 11.252 1.00 0.00 H new ATOM 0 HB3 ASP A 76 130.833 6.621 11.983 1.00 0.00 H new ATOM 1010 N VAL A 77 132.175 4.912 8.825 1.00 0.00 N ATOM 1011 CA VAL A 77 133.336 4.028 8.749 1.00 0.00 C ATOM 1012 C VAL A 77 134.239 4.425 7.582 1.00 0.00 C ATOM 1013 O VAL A 77 133.866 4.282 6.418 1.00 0.00 O ATOM 1014 CB VAL A 77 132.874 2.583 8.573 1.00 0.00 C ATOM 1015 CG1 VAL A 77 133.988 1.635 9.016 1.00 0.00 C ATOM 1016 CG2 VAL A 77 131.626 2.341 9.425 1.00 0.00 C ATOM 0 H VAL A 77 131.491 4.790 8.079 1.00 0.00 H new ATOM 0 HA VAL A 77 133.903 4.119 9.675 1.00 0.00 H new ATOM 0 HB VAL A 77 132.639 2.400 7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 77 133.659 0.603 8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 77 134.877 1.809 8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 77 134.224 1.816 10.065 1.00 0.00 H new ATOM 0 HG21 VAL A 77 131.295 1.310 9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 77 131.861 2.523 10.474 1.00 0.00 H new ATOM 0 HG23 VAL A 77 130.832 3.018 9.108 1.00 0.00 H new ATOM 1020 N PHE A 78 135.410 4.970 7.908 1.00 0.00 N ATOM 1021 CA PHE A 78 136.330 5.435 6.877 1.00 0.00 C ATOM 1022 C PHE A 78 137.090 4.277 6.248 1.00 0.00 C ATOM 1023 O PHE A 78 137.777 3.520 6.934 1.00 0.00 O ATOM 1024 CB PHE A 78 137.313 6.437 7.482 1.00 0.00 C ATOM 1025 CG PHE A 78 136.538 7.612 8.033 1.00 0.00 C ATOM 1026 CD1 PHE A 78 136.113 8.634 7.176 1.00 0.00 C ATOM 1027 CD2 PHE A 78 136.240 7.674 9.400 1.00 0.00 C ATOM 1028 CE1 PHE A 78 135.389 9.719 7.686 1.00 0.00 C ATOM 1029 CE2 PHE A 78 135.517 8.759 9.910 1.00 0.00 C ATOM 1030 CZ PHE A 78 135.092 9.782 9.053 1.00 0.00 C ATOM 0 H PHE A 78 135.739 5.098 8.865 1.00 0.00 H new ATOM 0 HA PHE A 78 135.748 5.918 6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 78 137.894 5.964 8.274 1.00 0.00 H new ATOM 0 HB3 PHE A 78 138.021 6.774 6.725 1.00 0.00 H new ATOM 0 HD1 PHE A 78 136.343 8.586 6.122 1.00 0.00 H new ATOM 0 HD2 PHE A 78 136.568 6.885 10.061 1.00 0.00 H new ATOM 0 HE1 PHE A 78 135.060 10.507 7.025 1.00 0.00 H new ATOM 0 HE2 PHE A 78 135.287 8.807 10.964 1.00 0.00 H new ATOM 0 HZ PHE A 78 134.535 10.620 9.447 1.00 0.00 H new ATOM 1040 N LEU A 79 136.961 4.150 4.929 1.00 0.00 N ATOM 1041 CA LEU A 79 137.640 3.087 4.207 1.00 0.00 C ATOM 1042 C LEU A 79 138.556 3.672 3.139 1.00 0.00 C ATOM 1043 O LEU A 79 138.094 4.322 2.200 1.00 0.00 O ATOM 1044 CB LEU A 79 136.608 2.161 3.558 1.00 0.00 C ATOM 1045 CG LEU A 79 137.305 0.914 3.000 1.00 0.00 C ATOM 1046 CD1 LEU A 79 136.266 -0.184 2.768 1.00 0.00 C ATOM 1047 CD2 LEU A 79 138.008 1.237 1.673 1.00 0.00 C ATOM 0 H LEU A 79 136.396 4.767 4.346 1.00 0.00 H new ATOM 0 HA LEU A 79 138.245 2.515 4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 79 135.855 1.870 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 79 136.087 2.686 2.757 1.00 0.00 H new ATOM 0 HG LEU A 79 138.051 0.577 3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 79 136.758 -1.072 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 79 135.779 -0.430 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 79 135.519 0.166 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 79 138.497 0.340 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 79 137.273 1.585 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 79 138.754 2.015 1.836 1.00 0.00 H new ATOM 1053 N VAL A 80 139.853 3.435 3.287 1.00 0.00 N ATOM 1054 CA VAL A 80 140.825 3.943 2.329 1.00 0.00 C ATOM 1055 C VAL A 80 141.053 2.925 1.218 1.00 0.00 C ATOM 1056 O VAL A 80 141.292 1.747 1.481 1.00 0.00 O ATOM 1057 CB VAL A 80 142.147 4.233 3.040 1.00 0.00 C ATOM 1058 CG1 VAL A 80 143.129 4.870 2.058 1.00 0.00 C ATOM 1059 CG2 VAL A 80 141.897 5.195 4.203 1.00 0.00 C ATOM 0 H VAL A 80 140.254 2.898 4.056 1.00 0.00 H new ATOM 0 HA VAL A 80 140.439 4.863 1.891 1.00 0.00 H new ATOM 0 HB VAL A 80 142.567 3.301 3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 80 144.071 5.076 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 80 143.307 4.187 1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 80 142.711 5.802 1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 80 142.838 5.403 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 80 141.477 6.126 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 80 141.197 4.742 4.906 1.00 0.00 H new ATOM 1063 N CYS A 81 140.972 3.387 -0.025 1.00 0.00 N ATOM 1064 CA CYS A 81 141.166 2.504 -1.168 1.00 0.00 C ATOM 1065 C CYS A 81 142.252 3.043 -2.094 1.00 0.00 C ATOM 1066 O CYS A 81 142.129 4.137 -2.646 1.00 0.00 O ATOM 1067 CB CYS A 81 139.853 2.362 -1.941 1.00 0.00 C ATOM 1068 SG CYS A 81 138.585 3.400 -1.172 1.00 0.00 S ATOM 0 H CYS A 81 140.775 4.359 -0.265 1.00 0.00 H new ATOM 0 HA CYS A 81 141.481 1.528 -0.799 1.00 0.00 H new ATOM 0 HB2 CYS A 81 139.997 2.656 -2.981 1.00 0.00 H new ATOM 0 HB3 CYS A 81 139.532 1.320 -1.945 1.00 0.00 H new ATOM 0 HG CYS A 81 139.088 4.566 -0.895 1.00 0.00 H new ATOM 1074 N PHE A 82 143.311 2.259 -2.258 1.00 0.00 N ATOM 1075 CA PHE A 82 144.422 2.645 -3.119 1.00 0.00 C ATOM 1076 C PHE A 82 144.989 1.413 -3.810 1.00 0.00 C ATOM 1077 O PHE A 82 144.727 0.293 -3.390 1.00 0.00 O ATOM 1078 CB PHE A 82 145.520 3.311 -2.286 1.00 0.00 C ATOM 1079 CG PHE A 82 146.115 2.298 -1.336 1.00 0.00 C ATOM 1080 CD1 PHE A 82 145.454 1.984 -0.142 1.00 0.00 C ATOM 1081 CD2 PHE A 82 147.328 1.675 -1.649 1.00 0.00 C ATOM 1082 CE1 PHE A 82 146.007 1.045 0.737 1.00 0.00 C ATOM 1083 CE2 PHE A 82 147.881 0.736 -0.770 1.00 0.00 C ATOM 1084 CZ PHE A 82 147.219 0.420 0.423 1.00 0.00 C ATOM 0 H PHE A 82 143.424 1.352 -1.806 1.00 0.00 H new ATOM 0 HA PHE A 82 144.061 3.349 -3.869 1.00 0.00 H new ATOM 0 HB2 PHE A 82 146.295 3.712 -2.940 1.00 0.00 H new ATOM 0 HB3 PHE A 82 145.108 4.152 -1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 82 144.518 2.466 0.101 1.00 0.00 H new ATOM 0 HD2 PHE A 82 147.838 1.919 -2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 82 145.498 0.803 1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 82 148.818 0.256 -1.012 1.00 0.00 H new ATOM 0 HZ PHE A 82 147.644 -0.306 1.101 1.00 0.00 H new ATOM 1094 N SER A 83 145.773 1.616 -4.860 1.00 0.00 N ATOM 1095 CA SER A 83 146.367 0.488 -5.570 1.00 0.00 C ATOM 1096 C SER A 83 147.668 0.090 -4.885 1.00 0.00 C ATOM 1097 O SER A 83 148.477 0.948 -4.534 1.00 0.00 O ATOM 1098 CB SER A 83 146.635 0.864 -7.026 1.00 0.00 C ATOM 1099 OG SER A 83 147.156 -0.265 -7.714 1.00 0.00 O ATOM 0 H SER A 83 146.011 2.534 -5.235 1.00 0.00 H new ATOM 0 HA SER A 83 145.675 -0.354 -5.551 1.00 0.00 H new ATOM 0 HB2 SER A 83 145.714 1.201 -7.502 1.00 0.00 H new ATOM 0 HB3 SER A 83 147.342 1.693 -7.076 1.00 0.00 H new ATOM 0 HG SER A 83 147.328 -0.028 -8.649 1.00 0.00 H new ATOM 1105 N VAL A 84 147.864 -1.209 -4.672 1.00 0.00 N ATOM 1106 CA VAL A 84 149.074 -1.669 -3.994 1.00 0.00 C ATOM 1107 C VAL A 84 150.320 -0.921 -4.470 1.00 0.00 C ATOM 1108 O VAL A 84 151.348 -0.930 -3.788 1.00 0.00 O ATOM 1109 CB VAL A 84 149.271 -3.164 -4.216 1.00 0.00 C ATOM 1110 CG1 VAL A 84 150.620 -3.593 -3.633 1.00 0.00 C ATOM 1111 CG2 VAL A 84 148.151 -3.930 -3.514 1.00 0.00 C ATOM 0 H VAL A 84 147.218 -1.947 -4.951 1.00 0.00 H new ATOM 0 HA VAL A 84 148.940 -1.465 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 84 149.251 -3.380 -5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 84 150.761 -4.662 -3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 84 151.421 -3.044 -4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 84 150.639 -3.379 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 84 148.288 -5.000 -3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 84 148.176 -3.713 -2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 84 147.188 -3.624 -3.924 1.00 0.00 H new ATOM 1115 N VAL A 85 150.248 -0.261 -5.621 1.00 0.00 N ATOM 1116 CA VAL A 85 151.404 0.477 -6.116 1.00 0.00 C ATOM 1117 C VAL A 85 150.988 1.855 -6.625 1.00 0.00 C ATOM 1118 O VAL A 85 150.034 1.976 -7.394 1.00 0.00 O ATOM 1119 CB VAL A 85 152.078 -0.302 -7.243 1.00 0.00 C ATOM 1120 CG1 VAL A 85 153.361 0.417 -7.663 1.00 0.00 C ATOM 1121 CG2 VAL A 85 152.420 -1.711 -6.753 1.00 0.00 C ATOM 0 H VAL A 85 149.421 -0.221 -6.217 1.00 0.00 H new ATOM 0 HA VAL A 85 152.106 0.605 -5.292 1.00 0.00 H new ATOM 0 HB VAL A 85 151.402 -0.367 -8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 85 153.843 -0.139 -8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 85 153.118 1.421 -8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 85 154.038 0.481 -6.811 1.00 0.00 H new ATOM 0 HG21 VAL A 85 152.901 -2.269 -7.556 1.00 0.00 H new ATOM 0 HG22 VAL A 85 153.096 -1.646 -5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 85 151.506 -2.223 -6.452 1.00 0.00 H new ATOM 1125 N SER A 86 151.717 2.881 -6.196 1.00 0.00 N ATOM 1126 CA SER A 86 151.434 4.256 -6.607 1.00 0.00 C ATOM 1127 C SER A 86 151.887 5.231 -5.528 1.00 0.00 C ATOM 1128 O SER A 86 151.080 5.694 -4.722 1.00 0.00 O ATOM 1129 CB SER A 86 149.939 4.446 -6.859 1.00 0.00 C ATOM 1130 OG SER A 86 149.637 4.089 -8.202 1.00 0.00 O ATOM 0 H SER A 86 152.511 2.788 -5.562 1.00 0.00 H new ATOM 0 HA SER A 86 151.980 4.453 -7.530 1.00 0.00 H new ATOM 0 HB2 SER A 86 149.362 3.831 -6.169 1.00 0.00 H new ATOM 0 HB3 SER A 86 149.657 5.483 -6.674 1.00 0.00 H new ATOM 0 HG SER A 86 149.915 3.163 -8.365 1.00 0.00 H new ATOM 1136 N PRO A 87 153.154 5.547 -5.495 1.00 0.00 N ATOM 1137 CA PRO A 87 153.716 6.488 -4.485 1.00 0.00 C ATOM 1138 C PRO A 87 152.953 7.809 -4.453 1.00 0.00 C ATOM 1139 O PRO A 87 152.859 8.457 -3.411 1.00 0.00 O ATOM 1140 CB PRO A 87 155.162 6.701 -4.940 1.00 0.00 C ATOM 1141 CG PRO A 87 155.497 5.516 -5.783 1.00 0.00 C ATOM 1142 CD PRO A 87 154.187 5.042 -6.412 1.00 0.00 C ATOM 0 HA PRO A 87 153.644 6.091 -3.472 1.00 0.00 H new ATOM 0 HB2 PRO A 87 155.262 7.626 -5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 87 155.835 6.777 -4.086 1.00 0.00 H new ATOM 0 HG2 PRO A 87 156.222 5.781 -6.552 1.00 0.00 H new ATOM 0 HG3 PRO A 87 155.945 4.726 -5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 87 154.059 5.442 -7.418 1.00 0.00 H new ATOM 0 HD3 PRO A 87 154.153 3.956 -6.494 1.00 0.00 H new ATOM 1150 N SER A 88 152.393 8.194 -5.597 1.00 0.00 N ATOM 1151 CA SER A 88 151.622 9.429 -5.673 1.00 0.00 C ATOM 1152 C SER A 88 150.303 9.261 -4.927 1.00 0.00 C ATOM 1153 O SER A 88 149.932 10.088 -4.098 1.00 0.00 O ATOM 1154 CB SER A 88 151.347 9.787 -7.133 1.00 0.00 C ATOM 1155 OG SER A 88 152.572 9.796 -7.852 1.00 0.00 O ATOM 0 H SER A 88 152.458 7.675 -6.473 1.00 0.00 H new ATOM 0 HA SER A 88 152.196 10.233 -5.213 1.00 0.00 H new ATOM 0 HB2 SER A 88 150.659 9.065 -7.573 1.00 0.00 H new ATOM 0 HB3 SER A 88 150.868 10.764 -7.196 1.00 0.00 H new ATOM 0 HG SER A 88 152.399 10.024 -8.789 1.00 0.00 H new ATOM 1161 N SER A 89 149.601 8.179 -5.238 1.00 0.00 N ATOM 1162 CA SER A 89 148.323 7.903 -4.597 1.00 0.00 C ATOM 1163 C SER A 89 148.513 7.718 -3.094 1.00 0.00 C ATOM 1164 O SER A 89 147.623 8.030 -2.306 1.00 0.00 O ATOM 1165 CB SER A 89 147.699 6.641 -5.192 1.00 0.00 C ATOM 1166 OG SER A 89 148.433 5.504 -4.756 1.00 0.00 O ATOM 0 H SER A 89 149.892 7.483 -5.925 1.00 0.00 H new ATOM 0 HA SER A 89 147.659 8.750 -4.771 1.00 0.00 H new ATOM 0 HB2 SER A 89 146.657 6.556 -4.883 1.00 0.00 H new ATOM 0 HB3 SER A 89 147.705 6.697 -6.281 1.00 0.00 H new ATOM 0 HG SER A 89 149.378 5.744 -4.653 1.00 0.00 H new ATOM 1172 N PHE A 90 149.679 7.207 -2.710 1.00 0.00 N ATOM 1173 CA PHE A 90 149.977 6.975 -1.300 1.00 0.00 C ATOM 1174 C PHE A 90 149.866 8.261 -0.486 1.00 0.00 C ATOM 1175 O PHE A 90 149.199 8.291 0.548 1.00 0.00 O ATOM 1176 CB PHE A 90 151.391 6.408 -1.163 1.00 0.00 C ATOM 1177 CG PHE A 90 151.712 6.173 0.294 1.00 0.00 C ATOM 1178 CD1 PHE A 90 151.207 5.046 0.955 1.00 0.00 C ATOM 1179 CD2 PHE A 90 152.524 7.082 0.984 1.00 0.00 C ATOM 1180 CE1 PHE A 90 151.514 4.828 2.305 1.00 0.00 C ATOM 1181 CE2 PHE A 90 152.832 6.864 2.333 1.00 0.00 C ATOM 1182 CZ PHE A 90 152.327 5.737 2.992 1.00 0.00 C ATOM 0 H PHE A 90 150.429 6.947 -3.351 1.00 0.00 H new ATOM 0 HA PHE A 90 149.247 6.264 -0.913 1.00 0.00 H new ATOM 0 HB2 PHE A 90 151.473 5.473 -1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 90 152.113 7.100 -1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 90 150.581 4.345 0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 90 152.913 7.952 0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 90 151.124 3.960 2.815 1.00 0.00 H new ATOM 0 HE2 PHE A 90 153.459 7.565 2.864 1.00 0.00 H new ATOM 0 HZ PHE A 90 152.565 5.569 4.032 1.00 0.00 H new ATOM 1192 N GLU A 91 150.524 9.319 -0.949 1.00 0.00 N ATOM 1193 CA GLU A 91 150.484 10.591 -0.237 1.00 0.00 C ATOM 1194 C GLU A 91 149.184 11.339 -0.518 1.00 0.00 C ATOM 1195 O GLU A 91 148.800 12.236 0.229 1.00 0.00 O ATOM 1196 CB GLU A 91 151.687 11.461 -0.626 1.00 0.00 C ATOM 1197 CG GLU A 91 151.525 11.984 -2.056 1.00 0.00 C ATOM 1198 CD GLU A 91 152.766 12.770 -2.464 1.00 0.00 C ATOM 1199 OE1 GLU A 91 153.628 12.956 -1.620 1.00 0.00 O ATOM 1200 OE2 GLU A 91 152.836 13.176 -3.611 1.00 0.00 O ATOM 0 H GLU A 91 151.084 9.322 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 91 150.531 10.378 0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 91 151.778 12.298 0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 91 152.606 10.880 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 91 151.369 11.151 -2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 91 150.643 12.620 -2.122 1.00 0.00 H new ATOM 1207 N ASN A 92 148.499 10.973 -1.590 1.00 0.00 N ATOM 1208 CA ASN A 92 147.255 11.633 -1.920 1.00 0.00 C ATOM 1209 C ASN A 92 146.081 10.868 -1.337 1.00 0.00 C ATOM 1210 O ASN A 92 144.960 11.356 -1.343 1.00 0.00 O ATOM 1211 CB ASN A 92 147.097 11.738 -3.439 1.00 0.00 C ATOM 1212 CG ASN A 92 148.260 12.524 -4.031 1.00 0.00 C ATOM 1213 OD1 ASN A 92 148.859 12.100 -5.020 1.00 0.00 O ATOM 1214 ND2 ASN A 92 148.618 13.653 -3.483 1.00 0.00 N ATOM 0 H ASN A 92 148.781 10.234 -2.234 1.00 0.00 H new ATOM 0 HA ASN A 92 147.274 12.636 -1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 92 147.060 10.741 -3.879 1.00 0.00 H new ATOM 0 HB3 ASN A 92 146.155 12.229 -3.682 1.00 0.00 H new ATOM 0 HD21 ASN A 92 149.395 14.186 -3.874 1.00 0.00 H new ATOM 0 HD22 ASN A 92 148.121 14.003 -2.664 1.00 0.00 H new ATOM 1219 N VAL A 93 146.341 9.664 -0.837 1.00 0.00 N ATOM 1220 CA VAL A 93 145.273 8.851 -0.269 1.00 0.00 C ATOM 1221 C VAL A 93 145.309 8.834 1.256 1.00 0.00 C ATOM 1222 O VAL A 93 144.434 9.384 1.924 1.00 0.00 O ATOM 1223 CB VAL A 93 145.393 7.413 -0.772 1.00 0.00 C ATOM 1224 CG1 VAL A 93 144.452 6.513 0.031 1.00 0.00 C ATOM 1225 CG2 VAL A 93 145.011 7.357 -2.251 1.00 0.00 C ATOM 0 H VAL A 93 147.266 9.236 -0.813 1.00 0.00 H new ATOM 0 HA VAL A 93 144.330 9.296 -0.586 1.00 0.00 H new ATOM 0 HB VAL A 93 146.420 7.069 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 93 144.537 5.487 -0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 93 144.723 6.553 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 93 143.425 6.857 -0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 93 145.096 6.331 -2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 93 143.984 7.700 -2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 93 145.680 7.999 -2.824 1.00 0.00 H new ATOM 1229 N LYS A 94 146.303 8.153 1.793 1.00 0.00 N ATOM 1230 CA LYS A 94 146.437 8.012 3.233 1.00 0.00 C ATOM 1231 C LYS A 94 146.818 9.326 3.910 1.00 0.00 C ATOM 1232 O LYS A 94 146.620 9.474 5.115 1.00 0.00 O ATOM 1233 CB LYS A 94 147.489 6.947 3.542 1.00 0.00 C ATOM 1234 CG LYS A 94 147.065 5.613 2.918 1.00 0.00 C ATOM 1235 CD LYS A 94 148.091 4.538 3.269 1.00 0.00 C ATOM 1236 CE LYS A 94 147.816 3.281 2.442 1.00 0.00 C ATOM 1237 NZ LYS A 94 148.516 2.117 3.053 1.00 0.00 N ATOM 0 H LYS A 94 147.032 7.687 1.253 1.00 0.00 H new ATOM 0 HA LYS A 94 145.467 7.712 3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 94 148.458 7.253 3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 94 147.604 6.836 4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 94 146.080 5.324 3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 94 146.985 5.715 1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 94 149.099 4.903 3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 94 148.040 4.305 4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 94 146.744 3.091 2.397 1.00 0.00 H new ATOM 0 HE3 LYS A 94 148.157 3.426 1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 148.007 1.242 2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 149.487 2.064 2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 148.543 2.232 4.086 1.00 0.00 H new ATOM 1251 N GLU A 95 147.391 10.267 3.158 1.00 0.00 N ATOM 1252 CA GLU A 95 147.809 11.531 3.767 1.00 0.00 C ATOM 1253 C GLU A 95 146.897 12.710 3.411 1.00 0.00 C ATOM 1254 O GLU A 95 146.653 13.564 4.260 1.00 0.00 O ATOM 1255 CB GLU A 95 149.255 11.849 3.384 1.00 0.00 C ATOM 1256 CG GLU A 95 150.187 10.811 4.008 1.00 0.00 C ATOM 1257 CD GLU A 95 151.639 11.157 3.693 1.00 0.00 C ATOM 1258 OE1 GLU A 95 151.853 12.060 2.901 1.00 0.00 O ATOM 1259 OE2 GLU A 95 152.514 10.515 4.249 1.00 0.00 O ATOM 0 H GLU A 95 147.572 10.184 2.158 1.00 0.00 H new ATOM 0 HA GLU A 95 147.731 11.394 4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 95 149.364 11.846 2.299 1.00 0.00 H new ATOM 0 HB3 GLU A 95 149.523 12.848 3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 95 150.038 10.779 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 95 149.949 9.819 3.624 1.00 0.00 H new ATOM 1266 N LYS A 96 146.404 12.792 2.172 1.00 0.00 N ATOM 1267 CA LYS A 96 145.545 13.922 1.815 1.00 0.00 C ATOM 1268 C LYS A 96 144.136 13.767 2.382 1.00 0.00 C ATOM 1269 O LYS A 96 143.472 14.759 2.682 1.00 0.00 O ATOM 1270 CB LYS A 96 145.471 14.092 0.299 1.00 0.00 C ATOM 1271 CG LYS A 96 144.674 15.355 -0.035 1.00 0.00 C ATOM 1272 CD LYS A 96 144.557 15.502 -1.553 1.00 0.00 C ATOM 1273 CE LYS A 96 143.817 16.799 -1.886 1.00 0.00 C ATOM 1274 NZ LYS A 96 144.274 17.307 -3.209 1.00 0.00 N ATOM 0 H LYS A 96 146.576 12.118 1.426 1.00 0.00 H new ATOM 0 HA LYS A 96 145.994 14.812 2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 96 146.475 14.162 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 96 144.997 13.220 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 96 143.682 15.300 0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 96 145.166 16.230 0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 96 145.549 15.510 -2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 96 144.023 14.649 -1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 96 142.742 16.622 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 96 144.004 17.545 -1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 143.771 18.189 -3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 145.297 17.491 -3.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 144.074 16.597 -3.942 1.00 0.00 H new ATOM 1288 N TRP A 97 143.674 12.531 2.524 1.00 0.00 N ATOM 1289 CA TRP A 97 142.331 12.296 3.047 1.00 0.00 C ATOM 1290 C TRP A 97 142.342 12.174 4.568 1.00 0.00 C ATOM 1291 O TRP A 97 141.471 12.721 5.244 1.00 0.00 O ATOM 1292 CB TRP A 97 141.751 11.025 2.429 1.00 0.00 C ATOM 1293 CG TRP A 97 141.797 11.139 0.938 1.00 0.00 C ATOM 1294 CD1 TRP A 97 142.931 11.176 0.204 1.00 0.00 C ATOM 1295 CD2 TRP A 97 140.692 11.234 -0.009 1.00 0.00 C ATOM 1296 NE1 TRP A 97 142.596 11.267 -1.137 1.00 0.00 N ATOM 1297 CE2 TRP A 97 141.227 11.314 -1.319 1.00 0.00 C ATOM 1298 CE3 TRP A 97 139.292 11.254 0.136 1.00 0.00 C ATOM 1299 CZ2 TRP A 97 140.403 11.410 -2.440 1.00 0.00 C ATOM 1300 CZ3 TRP A 97 138.460 11.354 -0.992 1.00 0.00 C ATOM 1301 CH2 TRP A 97 139.015 11.432 -2.278 1.00 0.00 C ATOM 0 H TRP A 97 144.198 11.688 2.289 1.00 0.00 H new ATOM 0 HA TRP A 97 141.709 13.150 2.781 1.00 0.00 H new ATOM 0 HB2 TRP A 97 142.319 10.155 2.757 1.00 0.00 H new ATOM 0 HB3 TRP A 97 140.724 10.880 2.763 1.00 0.00 H new ATOM 0 HD1 TRP A 97 143.936 11.140 0.599 1.00 0.00 H new ATOM 0 HE1 TRP A 97 143.276 11.296 -1.897 1.00 0.00 H new ATOM 0 HE3 TRP A 97 138.854 11.192 1.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 140.835 11.467 -3.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 137.387 11.371 -0.868 1.00 0.00 H new ATOM 0 HH2 TRP A 97 138.371 11.509 -3.141 1.00 0.00 H new ATOM 1312 N VAL A 98 143.326 11.456 5.105 1.00 0.00 N ATOM 1313 CA VAL A 98 143.415 11.281 6.549 1.00 0.00 C ATOM 1314 C VAL A 98 143.072 12.581 7.289 1.00 0.00 C ATOM 1315 O VAL A 98 142.193 12.582 8.148 1.00 0.00 O ATOM 1316 CB VAL A 98 144.812 10.798 6.945 1.00 0.00 C ATOM 1317 CG1 VAL A 98 145.148 11.295 8.354 1.00 0.00 C ATOM 1318 CG2 VAL A 98 144.831 9.267 6.936 1.00 0.00 C ATOM 0 H VAL A 98 144.061 10.993 4.570 1.00 0.00 H new ATOM 0 HA VAL A 98 142.686 10.525 6.839 1.00 0.00 H new ATOM 0 HB VAL A 98 145.546 11.186 6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 98 146.143 10.950 8.634 1.00 0.00 H new ATOM 0 HG12 VAL A 98 145.124 12.385 8.371 1.00 0.00 H new ATOM 0 HG13 VAL A 98 144.416 10.905 9.062 1.00 0.00 H new ATOM 0 HG21 VAL A 98 145.823 8.914 7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 98 144.096 8.890 7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 98 144.587 8.906 5.937 1.00 0.00 H new ATOM 1322 N PRO A 99 143.727 13.682 6.986 1.00 0.00 N ATOM 1323 CA PRO A 99 143.439 14.978 7.669 1.00 0.00 C ATOM 1324 C PRO A 99 142.023 15.477 7.385 1.00 0.00 C ATOM 1325 O PRO A 99 141.367 16.039 8.261 1.00 0.00 O ATOM 1326 CB PRO A 99 144.480 15.947 7.101 1.00 0.00 C ATOM 1327 CG PRO A 99 144.935 15.339 5.818 1.00 0.00 C ATOM 1328 CD PRO A 99 144.797 13.828 5.982 1.00 0.00 C ATOM 0 HA PRO A 99 143.497 14.880 8.753 1.00 0.00 H new ATOM 0 HB2 PRO A 99 144.048 16.934 6.936 1.00 0.00 H new ATOM 0 HB3 PRO A 99 145.314 16.076 7.791 1.00 0.00 H new ATOM 0 HG2 PRO A 99 144.331 15.696 4.984 1.00 0.00 H new ATOM 0 HG3 PRO A 99 145.968 15.613 5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 99 144.532 13.346 5.041 1.00 0.00 H new ATOM 0 HD3 PRO A 99 145.729 13.375 6.321 1.00 0.00 H new ATOM 1336 N GLU A 100 141.561 15.276 6.153 1.00 0.00 N ATOM 1337 CA GLU A 100 140.225 15.721 5.773 1.00 0.00 C ATOM 1338 C GLU A 100 139.149 14.975 6.558 1.00 0.00 C ATOM 1339 O GLU A 100 138.136 15.560 6.940 1.00 0.00 O ATOM 1340 CB GLU A 100 140.009 15.503 4.275 1.00 0.00 C ATOM 1341 CG GLU A 100 140.954 16.413 3.488 1.00 0.00 C ATOM 1342 CD GLU A 100 140.709 16.251 1.992 1.00 0.00 C ATOM 1343 OE1 GLU A 100 139.938 15.377 1.629 1.00 0.00 O ATOM 1344 OE2 GLU A 100 141.295 17.004 1.231 1.00 0.00 O ATOM 0 H GLU A 100 142.085 14.814 5.410 1.00 0.00 H new ATOM 0 HA GLU A 100 140.146 16.783 6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 100 140.193 14.460 4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 100 138.974 15.719 4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 100 140.799 17.452 3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 100 141.989 16.167 3.724 1.00 0.00 H new ATOM 1351 N ILE A 101 139.368 13.684 6.796 1.00 0.00 N ATOM 1352 CA ILE A 101 138.394 12.887 7.537 1.00 0.00 C ATOM 1353 C ILE A 101 138.625 12.996 9.043 1.00 0.00 C ATOM 1354 O ILE A 101 137.690 12.865 9.832 1.00 0.00 O ATOM 1355 CB ILE A 101 138.462 11.421 7.087 1.00 0.00 C ATOM 1356 CG1 ILE A 101 139.781 10.788 7.538 1.00 0.00 C ATOM 1357 CG2 ILE A 101 138.371 11.353 5.562 1.00 0.00 C ATOM 1358 CD1 ILE A 101 139.821 9.319 7.099 1.00 0.00 C ATOM 0 H ILE A 101 140.197 13.174 6.492 1.00 0.00 H new ATOM 0 HA ILE A 101 137.399 13.277 7.323 1.00 0.00 H new ATOM 0 HB ILE A 101 137.631 10.876 7.536 1.00 0.00 H new ATOM 0 HG12 ILE A 101 140.623 11.330 7.107 1.00 0.00 H new ATOM 0 HG13 ILE A 101 139.878 10.857 8.621 1.00 0.00 H new ATOM 0 HG21 ILE A 101 138.419 10.313 5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 101 137.428 11.791 5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 101 139.201 11.907 5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 101 140.760 8.869 7.420 1.00 0.00 H new ATOM 0 HD12 ILE A 101 138.987 8.781 7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 101 139.744 9.261 6.013 1.00 0.00 H new ATOM 1362 N THR A 102 139.873 13.238 9.436 1.00 0.00 N ATOM 1363 CA THR A 102 140.208 13.363 10.852 1.00 0.00 C ATOM 1364 C THR A 102 139.432 14.510 11.497 1.00 0.00 C ATOM 1365 O THR A 102 139.028 14.423 12.655 1.00 0.00 O ATOM 1366 CB THR A 102 141.710 13.606 11.021 1.00 0.00 C ATOM 1367 OG1 THR A 102 142.430 12.534 10.432 1.00 0.00 O ATOM 1368 CG2 THR A 102 142.051 13.699 12.509 1.00 0.00 C ATOM 0 H THR A 102 140.663 13.351 8.800 1.00 0.00 H new ATOM 0 HA THR A 102 139.932 12.431 11.346 1.00 0.00 H new ATOM 0 HB THR A 102 141.985 14.540 10.531 1.00 0.00 H new ATOM 0 HG1 THR A 102 142.455 12.652 9.459 1.00 0.00 H new ATOM 0 HG21 THR A 102 143.121 13.872 12.627 1.00 0.00 H new ATOM 0 HG22 THR A 102 141.498 14.524 12.958 1.00 0.00 H new ATOM 0 HG23 THR A 102 141.777 12.767 13.004 1.00 0.00 H new ATOM 1373 N HIS A 103 139.235 15.586 10.745 1.00 0.00 N ATOM 1374 CA HIS A 103 138.514 16.742 11.265 1.00 0.00 C ATOM 1375 C HIS A 103 137.127 16.340 11.762 1.00 0.00 C ATOM 1376 O HIS A 103 136.645 16.861 12.768 1.00 0.00 O ATOM 1377 CB HIS A 103 138.376 17.806 10.175 1.00 0.00 C ATOM 1378 CG HIS A 103 137.826 19.069 10.778 1.00 0.00 C ATOM 1379 ND1 HIS A 103 136.551 19.138 11.316 1.00 0.00 N ATOM 1380 CD2 HIS A 103 138.371 20.318 10.944 1.00 0.00 C ATOM 1381 CE1 HIS A 103 136.371 20.390 11.776 1.00 0.00 C ATOM 1382 NE2 HIS A 103 137.451 21.150 11.575 1.00 0.00 N ATOM 0 H HIS A 103 139.560 15.683 9.783 1.00 0.00 H new ATOM 0 HA HIS A 103 139.082 17.148 12.103 1.00 0.00 H new ATOM 0 HB2 HIS A 103 139.346 18.001 9.717 1.00 0.00 H new ATOM 0 HB3 HIS A 103 137.716 17.449 9.385 1.00 0.00 H new ATOM 0 HD2 HIS A 103 139.363 20.610 10.632 1.00 0.00 H new ATOM 0 HE1 HIS A 103 135.465 20.738 12.249 1.00 0.00 H new ATOM 0 HE2 HIS A 103 137.575 22.130 11.829 1.00 0.00 H new ATOM 1390 N HIS A 104 136.488 15.417 11.049 1.00 0.00 N ATOM 1391 CA HIS A 104 135.153 14.963 11.429 1.00 0.00 C ATOM 1392 C HIS A 104 135.142 14.442 12.863 1.00 0.00 C ATOM 1393 O HIS A 104 134.256 14.782 13.647 1.00 0.00 O ATOM 1394 CB HIS A 104 134.688 13.855 10.483 1.00 0.00 C ATOM 1395 CG HIS A 104 133.277 13.464 10.829 1.00 0.00 C ATOM 1396 ND1 HIS A 104 132.991 12.399 11.670 1.00 0.00 N ATOM 1397 CD2 HIS A 104 132.062 13.988 10.462 1.00 0.00 C ATOM 1398 CE1 HIS A 104 131.652 12.319 11.781 1.00 0.00 C ATOM 1399 NE2 HIS A 104 131.038 13.263 11.064 1.00 0.00 N ATOM 0 H HIS A 104 136.868 14.972 10.213 1.00 0.00 H new ATOM 0 HA HIS A 104 134.474 15.813 11.360 1.00 0.00 H new ATOM 0 HB2 HIS A 104 134.739 14.198 9.450 1.00 0.00 H new ATOM 0 HB3 HIS A 104 135.347 12.991 10.565 1.00 0.00 H new ATOM 0 HD2 HIS A 104 131.922 14.834 9.806 1.00 0.00 H new ATOM 0 HE1 HIS A 104 131.137 11.581 12.378 1.00 0.00 H new ATOM 0 HE2 HIS A 104 130.034 13.419 10.976 1.00 0.00 H new ATOM 1407 N CYS A 105 136.127 13.616 13.201 1.00 0.00 N ATOM 1408 CA CYS A 105 136.210 13.059 14.548 1.00 0.00 C ATOM 1409 C CYS A 105 137.667 12.870 14.965 1.00 0.00 C ATOM 1410 O CYS A 105 138.549 12.723 14.119 1.00 0.00 O ATOM 1411 CB CYS A 105 135.487 11.713 14.601 1.00 0.00 C ATOM 1412 SG CYS A 105 133.798 11.957 15.205 1.00 0.00 S ATOM 0 H CYS A 105 136.871 13.320 12.570 1.00 0.00 H new ATOM 0 HA CYS A 105 135.735 13.757 15.237 1.00 0.00 H new ATOM 0 HB2 CYS A 105 135.468 11.259 13.610 1.00 0.00 H new ATOM 0 HB3 CYS A 105 136.023 11.026 15.256 1.00 0.00 H new ATOM 0 HG CYS A 105 133.367 13.124 14.829 1.00 0.00 H new ATOM 1418 N PRO A 106 137.932 12.861 16.246 1.00 0.00 N ATOM 1419 CA PRO A 106 139.314 12.677 16.777 1.00 0.00 C ATOM 1420 C PRO A 106 139.816 11.251 16.573 1.00 0.00 C ATOM 1421 O PRO A 106 140.816 11.026 15.892 1.00 0.00 O ATOM 1422 CB PRO A 106 139.179 13.002 18.266 1.00 0.00 C ATOM 1423 CG PRO A 106 137.746 12.754 18.600 1.00 0.00 C ATOM 1424 CD PRO A 106 136.947 13.024 17.326 1.00 0.00 C ATOM 0 HA PRO A 106 140.039 13.310 16.266 1.00 0.00 H new ATOM 0 HB2 PRO A 106 139.836 12.373 18.866 1.00 0.00 H new ATOM 0 HB3 PRO A 106 139.456 14.037 18.469 1.00 0.00 H new ATOM 0 HG2 PRO A 106 137.599 11.729 18.939 1.00 0.00 H new ATOM 0 HG3 PRO A 106 137.418 13.407 19.409 1.00 0.00 H new ATOM 0 HD2 PRO A 106 136.118 12.324 17.219 1.00 0.00 H new ATOM 0 HD3 PRO A 106 136.519 14.027 17.328 1.00 0.00 H new ATOM 1432 N LYS A 107 139.112 10.289 17.162 1.00 0.00 N ATOM 1433 CA LYS A 107 139.496 8.890 17.030 1.00 0.00 C ATOM 1434 C LYS A 107 138.328 8.062 16.502 1.00 0.00 C ATOM 1435 O LYS A 107 137.223 8.118 17.040 1.00 0.00 O ATOM 1436 CB LYS A 107 139.944 8.339 18.384 1.00 0.00 C ATOM 1437 CG LYS A 107 141.173 9.109 18.870 1.00 0.00 C ATOM 1438 CD LYS A 107 141.689 8.486 20.168 1.00 0.00 C ATOM 1439 CE LYS A 107 142.812 9.353 20.739 1.00 0.00 C ATOM 1440 NZ LYS A 107 142.266 10.686 21.117 1.00 0.00 N ATOM 0 H LYS A 107 138.280 10.451 17.730 1.00 0.00 H new ATOM 0 HA LYS A 107 140.323 8.826 16.322 1.00 0.00 H new ATOM 0 HB2 LYS A 107 139.136 8.429 19.110 1.00 0.00 H new ATOM 0 HB3 LYS A 107 140.178 7.278 18.297 1.00 0.00 H new ATOM 0 HG2 LYS A 107 141.953 9.087 18.109 1.00 0.00 H new ATOM 0 HG3 LYS A 107 140.917 10.156 19.034 1.00 0.00 H new ATOM 0 HD2 LYS A 107 140.878 8.401 20.891 1.00 0.00 H new ATOM 0 HD3 LYS A 107 142.055 7.477 19.979 1.00 0.00 H new ATOM 0 HE2 LYS A 107 143.253 8.868 21.610 1.00 0.00 H new ATOM 0 HE3 LYS A 107 143.607 9.469 20.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 142.890 11.130 21.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 142.211 11.291 20.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 141.315 10.570 21.522 1.00 0.00 H new ATOM 1454 N THR A 108 138.584 7.296 15.450 1.00 0.00 N ATOM 1455 CA THR A 108 137.551 6.457 14.855 1.00 0.00 C ATOM 1456 C THR A 108 138.191 5.311 14.076 1.00 0.00 C ATOM 1457 O THR A 108 139.310 5.443 13.583 1.00 0.00 O ATOM 1458 CB THR A 108 136.683 7.295 13.913 1.00 0.00 C ATOM 1459 OG1 THR A 108 136.141 6.461 12.898 1.00 0.00 O ATOM 1460 CG2 THR A 108 137.539 8.388 13.273 1.00 0.00 C ATOM 0 H THR A 108 139.494 7.238 14.992 1.00 0.00 H new ATOM 0 HA THR A 108 136.930 6.045 15.650 1.00 0.00 H new ATOM 0 HB THR A 108 135.870 7.752 14.477 1.00 0.00 H new ATOM 0 HG1 THR A 108 135.584 6.998 12.296 1.00 0.00 H new ATOM 0 HG21 THR A 108 136.923 8.986 12.602 1.00 0.00 H new ATOM 0 HG22 THR A 108 137.954 9.028 14.052 1.00 0.00 H new ATOM 0 HG23 THR A 108 138.351 7.930 12.709 1.00 0.00 H new ATOM 1465 N PRO A 109 137.514 4.201 13.949 1.00 0.00 N ATOM 1466 CA PRO A 109 138.051 3.029 13.202 1.00 0.00 C ATOM 1467 C PRO A 109 138.414 3.402 11.768 1.00 0.00 C ATOM 1468 O PRO A 109 137.584 3.941 11.027 1.00 0.00 O ATOM 1469 CB PRO A 109 136.910 2.002 13.232 1.00 0.00 C ATOM 1470 CG PRO A 109 135.689 2.750 13.667 1.00 0.00 C ATOM 1471 CD PRO A 109 136.176 3.938 14.490 1.00 0.00 C ATOM 0 HA PRO A 109 138.969 2.645 13.647 1.00 0.00 H new ATOM 0 HB2 PRO A 109 136.763 1.554 12.249 1.00 0.00 H new ATOM 0 HB3 PRO A 109 137.135 1.189 13.922 1.00 0.00 H new ATOM 0 HG2 PRO A 109 135.113 3.086 12.805 1.00 0.00 H new ATOM 0 HG3 PRO A 109 135.034 2.111 14.259 1.00 0.00 H new ATOM 0 HD2 PRO A 109 135.520 4.801 14.377 1.00 0.00 H new ATOM 0 HD3 PRO A 109 136.212 3.702 15.554 1.00 0.00 H new ATOM 1479 N PHE A 110 139.654 3.114 11.379 1.00 0.00 N ATOM 1480 CA PHE A 110 140.095 3.433 10.025 1.00 0.00 C ATOM 1481 C PHE A 110 140.440 2.163 9.266 1.00 0.00 C ATOM 1482 O PHE A 110 141.428 1.487 9.573 1.00 0.00 O ATOM 1483 CB PHE A 110 141.316 4.355 10.060 1.00 0.00 C ATOM 1484 CG PHE A 110 141.463 4.951 11.437 1.00 0.00 C ATOM 1485 CD1 PHE A 110 141.753 4.126 12.527 1.00 0.00 C ATOM 1486 CD2 PHE A 110 141.313 6.331 11.624 1.00 0.00 C ATOM 1487 CE1 PHE A 110 141.893 4.677 13.806 1.00 0.00 C ATOM 1488 CE2 PHE A 110 141.452 6.883 12.903 1.00 0.00 C ATOM 1489 CZ PHE A 110 141.743 6.056 13.994 1.00 0.00 C ATOM 0 H PHE A 110 140.358 2.670 11.969 1.00 0.00 H new ATOM 0 HA PHE A 110 139.278 3.944 9.515 1.00 0.00 H new ATOM 0 HB2 PHE A 110 142.214 3.796 9.798 1.00 0.00 H new ATOM 0 HB3 PHE A 110 141.207 5.148 9.320 1.00 0.00 H new ATOM 0 HD1 PHE A 110 141.869 3.062 12.382 1.00 0.00 H new ATOM 0 HD2 PHE A 110 141.090 6.969 10.782 1.00 0.00 H new ATOM 0 HE1 PHE A 110 142.117 4.038 14.648 1.00 0.00 H new ATOM 0 HE2 PHE A 110 141.335 7.947 13.048 1.00 0.00 H new ATOM 0 HZ PHE A 110 141.852 6.482 14.981 1.00 0.00 H new ATOM 1499 N LEU A 111 139.628 1.842 8.271 1.00 0.00 N ATOM 1500 CA LEU A 111 139.874 0.643 7.482 1.00 0.00 C ATOM 1501 C LEU A 111 140.834 0.929 6.339 1.00 0.00 C ATOM 1502 O LEU A 111 140.582 1.793 5.499 1.00 0.00 O ATOM 1503 CB LEU A 111 138.558 0.097 6.928 1.00 0.00 C ATOM 1504 CG LEU A 111 137.757 -0.530 8.067 1.00 0.00 C ATOM 1505 CD1 LEU A 111 137.304 0.563 9.037 1.00 0.00 C ATOM 1506 CD2 LEU A 111 136.533 -1.246 7.493 1.00 0.00 C ATOM 0 H LEU A 111 138.808 2.382 7.993 1.00 0.00 H new ATOM 0 HA LEU A 111 140.328 -0.103 8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 111 137.985 0.899 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 111 138.755 -0.645 6.154 1.00 0.00 H new ATOM 0 HG LEU A 111 138.381 -1.248 8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 111 136.732 0.114 9.849 1.00 0.00 H new ATOM 0 HD12 LEU A 111 138.177 1.072 9.445 1.00 0.00 H new ATOM 0 HD13 LEU A 111 136.679 1.283 8.508 1.00 0.00 H new ATOM 0 HD21 LEU A 111 135.960 -1.694 8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 111 135.908 -0.529 6.961 1.00 0.00 H new ATOM 0 HD23 LEU A 111 136.858 -2.026 6.804 1.00 0.00 H new ATOM 1512 N LEU A 112 141.930 0.181 6.310 1.00 0.00 N ATOM 1513 CA LEU A 112 142.921 0.342 5.257 1.00 0.00 C ATOM 1514 C LEU A 112 142.731 -0.763 4.228 1.00 0.00 C ATOM 1515 O LEU A 112 142.737 -1.946 4.572 1.00 0.00 O ATOM 1516 CB LEU A 112 144.332 0.276 5.847 1.00 0.00 C ATOM 1517 CG LEU A 112 145.353 0.661 4.773 1.00 0.00 C ATOM 1518 CD1 LEU A 112 145.260 2.164 4.484 1.00 0.00 C ATOM 1519 CD2 LEU A 112 146.763 0.323 5.265 1.00 0.00 C ATOM 0 H LEU A 112 142.153 -0.538 6.999 1.00 0.00 H new ATOM 0 HA LEU A 112 142.793 1.313 4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 112 144.413 0.950 6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 112 144.537 -0.729 6.215 1.00 0.00 H new ATOM 0 HG LEU A 112 145.141 0.105 3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 112 145.988 2.433 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 112 144.257 2.405 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 112 145.468 2.723 5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 112 147.490 0.597 4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 112 146.972 0.877 6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 112 146.832 -0.746 5.465 1.00 0.00 H new ATOM 1525 N VAL A 113 142.530 -0.382 2.974 1.00 0.00 N ATOM 1526 CA VAL A 113 142.305 -1.373 1.927 1.00 0.00 C ATOM 1527 C VAL A 113 143.099 -1.044 0.667 1.00 0.00 C ATOM 1528 O VAL A 113 143.312 0.124 0.340 1.00 0.00 O ATOM 1529 CB VAL A 113 140.812 -1.433 1.598 1.00 0.00 C ATOM 1530 CG1 VAL A 113 140.510 -2.699 0.795 1.00 0.00 C ATOM 1531 CG2 VAL A 113 140.007 -1.458 2.900 1.00 0.00 C ATOM 0 H VAL A 113 142.518 0.588 2.659 1.00 0.00 H new ATOM 0 HA VAL A 113 142.646 -2.341 2.293 1.00 0.00 H new ATOM 0 HB VAL A 113 140.537 -0.557 1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 113 139.446 -2.737 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 113 141.083 -2.687 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 113 140.786 -3.576 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 113 138.943 -1.501 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 113 140.287 -2.335 3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 113 140.217 -0.556 3.475 1.00 0.00 H new ATOM 1535 N GLY A 114 143.523 -2.086 -0.042 1.00 0.00 N ATOM 1536 CA GLY A 114 144.279 -1.906 -1.274 1.00 0.00 C ATOM 1537 C GLY A 114 143.553 -2.565 -2.446 1.00 0.00 C ATOM 1538 O GLY A 114 142.799 -3.518 -2.256 1.00 0.00 O ATOM 0 H GLY A 114 143.356 -3.059 0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 114 144.414 -0.843 -1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 114 145.273 -2.339 -1.164 1.00 0.00 H new ATOM 1542 N THR A 115 143.779 -2.052 -3.652 1.00 0.00 N ATOM 1543 CA THR A 115 143.130 -2.603 -4.837 1.00 0.00 C ATOM 1544 C THR A 115 144.153 -3.229 -5.771 1.00 0.00 C ATOM 1545 O THR A 115 145.360 -3.110 -5.565 1.00 0.00 O ATOM 1546 CB THR A 115 142.372 -1.515 -5.601 1.00 0.00 C ATOM 1547 OG1 THR A 115 143.254 -0.897 -6.525 1.00 0.00 O ATOM 1548 CG2 THR A 115 141.831 -0.466 -4.629 1.00 0.00 C ATOM 0 H THR A 115 144.400 -1.264 -3.834 1.00 0.00 H new ATOM 0 HA THR A 115 142.429 -3.365 -4.497 1.00 0.00 H new ATOM 0 HB THR A 115 141.534 -1.966 -6.132 1.00 0.00 H new ATOM 0 HG1 THR A 115 142.734 -0.445 -7.222 1.00 0.00 H new ATOM 0 HG21 THR A 115 141.294 0.302 -5.185 1.00 0.00 H new ATOM 0 HG22 THR A 115 141.153 -0.942 -3.920 1.00 0.00 H new ATOM 0 HG23 THR A 115 142.660 -0.010 -4.088 1.00 0.00 H new ATOM 1553 N GLN A 116 143.651 -3.894 -6.801 1.00 0.00 N ATOM 1554 CA GLN A 116 144.513 -4.541 -7.777 1.00 0.00 C ATOM 1555 C GLN A 116 145.583 -5.384 -7.093 1.00 0.00 C ATOM 1556 O GLN A 116 146.605 -5.681 -7.709 1.00 0.00 O ATOM 1557 CB GLN A 116 145.185 -3.489 -8.658 1.00 0.00 C ATOM 1558 CG GLN A 116 144.142 -2.840 -9.568 1.00 0.00 C ATOM 1559 CD GLN A 116 144.844 -2.029 -10.649 1.00 0.00 C ATOM 1560 OE1 GLN A 116 145.656 -2.635 -11.474 1.00 0.00 O flip ATOM 1561 NE2 GLN A 116 144.660 -0.816 -10.737 1.00 0.00 N flip ATOM 0 H GLN A 116 142.653 -3.999 -6.982 1.00 0.00 H new ATOM 0 HA GLN A 116 143.894 -5.196 -8.390 1.00 0.00 H new ATOM 0 HB2 GLN A 116 145.662 -2.731 -8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 116 145.970 -3.950 -9.258 1.00 0.00 H new ATOM 0 HG2 GLN A 116 143.514 -3.606 -10.023 1.00 0.00 H new ATOM 0 HG3 GLN A 116 143.485 -2.195 -8.984 1.00 0.00 H new ATOM 0 HE21 GLN A 116 144.025 -0.348 -10.090 1.00 0.00 H new ATOM 0 HE22 GLN A 116 145.142 -0.278 -11.457 1.00 0.00 H new ATOM 1568 N ILE A 117 145.352 -5.779 -5.828 1.00 0.00 N ATOM 1569 CA ILE A 117 146.329 -6.577 -5.107 1.00 0.00 C ATOM 1570 C ILE A 117 147.718 -6.108 -5.509 1.00 0.00 C ATOM 1571 O ILE A 117 147.859 -4.995 -6.009 1.00 0.00 O ATOM 1572 CB ILE A 117 146.091 -8.066 -5.403 1.00 0.00 C ATOM 1573 CG1 ILE A 117 146.277 -8.857 -4.114 1.00 0.00 C ATOM 1574 CG2 ILE A 117 147.036 -8.600 -6.491 1.00 0.00 C ATOM 1575 CD1 ILE A 117 146.561 -10.323 -4.441 1.00 0.00 C ATOM 0 H ILE A 117 144.508 -5.557 -5.301 1.00 0.00 H new ATOM 0 HA ILE A 117 146.231 -6.451 -4.029 1.00 0.00 H new ATOM 0 HB ILE A 117 145.075 -8.183 -5.780 1.00 0.00 H new ATOM 0 HG12 ILE A 117 147.100 -8.438 -3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 117 145.382 -8.780 -3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 117 146.830 -9.656 -6.666 1.00 0.00 H new ATOM 0 HG22 ILE A 117 146.880 -8.042 -7.414 1.00 0.00 H new ATOM 0 HG23 ILE A 117 148.070 -8.481 -6.166 1.00 0.00 H new ATOM 0 HD11 ILE A 117 146.693 -10.883 -3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 117 145.724 -10.740 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 117 147.469 -10.393 -5.040 1.00 0.00 H new ATOM 1579 N ASP A 118 148.751 -6.906 -5.313 1.00 0.00 N ATOM 1580 CA ASP A 118 150.067 -6.451 -5.705 1.00 0.00 C ATOM 1581 C ASP A 118 150.148 -6.380 -7.228 1.00 0.00 C ATOM 1582 O ASP A 118 150.741 -7.246 -7.871 1.00 0.00 O ATOM 1583 CB ASP A 118 151.139 -7.396 -5.169 1.00 0.00 C ATOM 1584 CG ASP A 118 151.046 -7.492 -3.649 1.00 0.00 C ATOM 1585 OD1 ASP A 118 150.185 -6.840 -3.084 1.00 0.00 O ATOM 1586 OD2 ASP A 118 151.832 -8.228 -3.074 1.00 0.00 O ATOM 0 H ASP A 118 148.708 -7.838 -4.900 1.00 0.00 H new ATOM 0 HA ASP A 118 150.239 -5.460 -5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 118 151.016 -8.385 -5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 118 152.127 -7.038 -5.458 1.00 0.00 H new ATOM 1591 N LEU A 119 149.519 -5.346 -7.779 1.00 0.00 N ATOM 1592 CA LEU A 119 149.479 -5.134 -9.225 1.00 0.00 C ATOM 1593 C LEU A 119 148.710 -6.254 -9.916 1.00 0.00 C ATOM 1594 O LEU A 119 149.308 -7.221 -10.373 1.00 0.00 O ATOM 1595 CB LEU A 119 150.899 -5.060 -9.798 1.00 0.00 C ATOM 1596 CG LEU A 119 151.643 -3.868 -9.194 1.00 0.00 C ATOM 1597 CD1 LEU A 119 153.082 -3.853 -9.714 1.00 0.00 C ATOM 1598 CD2 LEU A 119 150.949 -2.569 -9.606 1.00 0.00 C ATOM 0 H LEU A 119 149.025 -4.634 -7.241 1.00 0.00 H new ATOM 0 HA LEU A 119 148.968 -4.189 -9.409 1.00 0.00 H new ATOM 0 HB2 LEU A 119 151.437 -5.983 -9.581 1.00 0.00 H new ATOM 0 HB3 LEU A 119 150.858 -4.962 -10.883 1.00 0.00 H new ATOM 0 HG LEU A 119 151.643 -3.954 -8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 119 153.615 -3.004 -9.285 1.00 0.00 H new ATOM 0 HD12 LEU A 119 153.582 -4.778 -9.427 1.00 0.00 H new ATOM 0 HD13 LEU A 119 153.075 -3.766 -10.800 1.00 0.00 H new ATOM 0 HD21 LEU A 119 151.480 -1.720 -9.175 1.00 0.00 H new ATOM 0 HD22 LEU A 119 150.951 -2.484 -10.693 1.00 0.00 H new ATOM 0 HD23 LEU A 119 149.921 -2.575 -9.244 1.00 0.00 H new ATOM 1604 N ARG A 120 147.378 -6.093 -9.980 1.00 0.00 N ATOM 1605 CA ARG A 120 146.482 -7.075 -10.612 1.00 0.00 C ATOM 1606 C ARG A 120 147.230 -8.350 -10.968 1.00 0.00 C ATOM 1607 O ARG A 120 147.311 -8.738 -12.134 1.00 0.00 O ATOM 1608 CB ARG A 120 145.857 -6.471 -11.873 1.00 0.00 C ATOM 1609 CG ARG A 120 144.719 -7.369 -12.368 1.00 0.00 C ATOM 1610 CD ARG A 120 144.131 -6.784 -13.654 1.00 0.00 C ATOM 1611 NE ARG A 120 143.536 -5.477 -13.391 1.00 0.00 N ATOM 1612 CZ ARG A 120 142.251 -5.357 -13.067 1.00 0.00 C ATOM 1613 NH1 ARG A 120 141.495 -6.417 -12.972 1.00 0.00 N ATOM 1614 NH2 ARG A 120 141.746 -4.174 -12.843 1.00 0.00 N ATOM 0 H ARG A 120 146.894 -5.281 -9.597 1.00 0.00 H new ATOM 0 HA ARG A 120 145.697 -7.328 -9.900 1.00 0.00 H new ATOM 0 HB2 ARG A 120 145.478 -5.472 -11.659 1.00 0.00 H new ATOM 0 HB3 ARG A 120 146.614 -6.365 -12.650 1.00 0.00 H new ATOM 0 HG2 ARG A 120 145.090 -8.377 -12.551 1.00 0.00 H new ATOM 0 HG3 ARG A 120 143.945 -7.448 -11.604 1.00 0.00 H new ATOM 0 HD2 ARG A 120 144.912 -6.690 -14.409 1.00 0.00 H new ATOM 0 HD3 ARG A 120 143.377 -7.460 -14.057 1.00 0.00 H new ATOM 0 HE ARG A 120 144.116 -4.641 -13.457 1.00 0.00 H new ATOM 0 HH11 ARG A 120 141.889 -7.342 -13.146 1.00 0.00 H new ATOM 0 HH12 ARG A 120 140.510 -6.321 -12.723 1.00 0.00 H new ATOM 0 HH21 ARG A 120 142.336 -3.345 -12.917 1.00 0.00 H new ATOM 0 HH22 ARG A 120 140.761 -4.079 -12.594 1.00 0.00 H new ATOM 1866 N ILE A 137 154.739 -0.137 -1.932 1.00 0.00 N ATOM 1867 CA ILE A 137 154.170 0.735 -0.910 1.00 0.00 C ATOM 1868 C ILE A 137 152.986 0.067 -0.212 1.00 0.00 C ATOM 1869 O ILE A 137 151.931 0.678 -0.048 1.00 0.00 O ATOM 1870 CB ILE A 137 153.711 2.039 -1.563 1.00 0.00 C ATOM 1871 CG1 ILE A 137 153.220 3.014 -0.490 1.00 0.00 C ATOM 1872 CG2 ILE A 137 152.571 1.740 -2.535 1.00 0.00 C ATOM 1873 CD1 ILE A 137 154.163 4.218 -0.421 1.00 0.00 C ATOM 0 HA ILE A 137 154.935 0.938 -0.161 1.00 0.00 H new ATOM 0 HB ILE A 137 154.547 2.488 -2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 137 152.207 3.345 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 137 153.179 2.515 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 137 152.240 2.667 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 137 152.919 1.049 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 137 151.739 1.290 -1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 137 153.812 4.911 0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 137 155.168 3.879 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 137 154.181 4.722 -1.387 1.00 0.00 H new ATOM 1877 N THR A 138 153.152 -1.198 0.166 1.00 0.00 N ATOM 1878 CA THR A 138 152.063 -1.933 0.808 1.00 0.00 C ATOM 1879 C THR A 138 152.393 -2.404 2.226 1.00 0.00 C ATOM 1880 O THR A 138 151.586 -2.229 3.140 1.00 0.00 O ATOM 1881 CB THR A 138 151.705 -3.160 -0.025 1.00 0.00 C ATOM 1882 OG1 THR A 138 152.484 -3.168 -1.214 1.00 0.00 O ATOM 1883 CG2 THR A 138 150.218 -3.125 -0.379 1.00 0.00 C ATOM 0 H THR A 138 154.014 -1.729 0.042 1.00 0.00 H new ATOM 0 HA THR A 138 151.230 -1.233 0.875 1.00 0.00 H new ATOM 0 HB THR A 138 151.914 -4.063 0.549 1.00 0.00 H new ATOM 0 HG1 THR A 138 152.402 -4.040 -1.653 1.00 0.00 H new ATOM 0 HG21 THR A 138 149.965 -4.002 -0.974 1.00 0.00 H new ATOM 0 HG22 THR A 138 149.626 -3.124 0.536 1.00 0.00 H new ATOM 0 HG23 THR A 138 150.002 -2.223 -0.952 1.00 0.00 H new ATOM 1888 N PRO A 139 153.512 -3.048 2.420 1.00 0.00 N ATOM 1889 CA PRO A 139 153.882 -3.609 3.747 1.00 0.00 C ATOM 1890 C PRO A 139 154.494 -2.599 4.711 1.00 0.00 C ATOM 1891 O PRO A 139 153.811 -2.067 5.586 1.00 0.00 O ATOM 1892 CB PRO A 139 154.897 -4.694 3.389 1.00 0.00 C ATOM 1893 CG PRO A 139 155.542 -4.239 2.117 1.00 0.00 C ATOM 1894 CD PRO A 139 154.554 -3.303 1.411 1.00 0.00 C ATOM 0 HA PRO A 139 153.000 -3.965 4.280 1.00 0.00 H new ATOM 0 HB2 PRO A 139 155.636 -4.816 4.181 1.00 0.00 H new ATOM 0 HB3 PRO A 139 154.408 -5.659 3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 139 156.479 -3.722 2.325 1.00 0.00 H new ATOM 0 HG3 PRO A 139 155.783 -5.092 1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 139 155.038 -2.378 1.096 1.00 0.00 H new ATOM 0 HD3 PRO A 139 154.137 -3.766 0.516 1.00 0.00 H new ATOM 1902 N GLU A 140 155.790 -2.373 4.566 1.00 0.00 N ATOM 1903 CA GLU A 140 156.501 -1.458 5.457 1.00 0.00 C ATOM 1904 C GLU A 140 155.950 -0.040 5.365 1.00 0.00 C ATOM 1905 O GLU A 140 155.776 0.635 6.380 1.00 0.00 O ATOM 1906 CB GLU A 140 157.990 -1.444 5.103 1.00 0.00 C ATOM 1907 CG GLU A 140 158.585 -2.833 5.341 1.00 0.00 C ATOM 1908 CD GLU A 140 160.084 -2.811 5.060 1.00 0.00 C ATOM 1909 OE1 GLU A 140 160.558 -1.807 4.556 1.00 0.00 O ATOM 1910 OE2 GLU A 140 160.735 -3.800 5.355 1.00 0.00 O ATOM 0 H GLU A 140 156.371 -2.805 3.847 1.00 0.00 H new ATOM 0 HA GLU A 140 156.360 -1.813 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 140 158.124 -1.153 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 140 158.512 -0.704 5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 140 158.404 -3.144 6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 140 158.096 -3.563 4.696 1.00 0.00 H new ATOM 1917 N THR A 141 155.701 0.415 4.148 1.00 0.00 N ATOM 1918 CA THR A 141 155.197 1.766 3.931 1.00 0.00 C ATOM 1919 C THR A 141 153.850 1.993 4.611 1.00 0.00 C ATOM 1920 O THR A 141 153.612 3.056 5.185 1.00 0.00 O ATOM 1921 CB THR A 141 155.041 2.002 2.434 1.00 0.00 C ATOM 1922 OG1 THR A 141 154.115 1.055 1.920 1.00 0.00 O ATOM 1923 CG2 THR A 141 156.395 1.831 1.742 1.00 0.00 C ATOM 0 H THR A 141 155.838 -0.128 3.295 1.00 0.00 H new ATOM 0 HA THR A 141 155.913 2.463 4.366 1.00 0.00 H new ATOM 0 HB THR A 141 154.677 3.013 2.251 1.00 0.00 H new ATOM 0 HG1 THR A 141 154.563 0.192 1.799 1.00 0.00 H new ATOM 0 HG21 THR A 141 156.280 2.000 0.671 1.00 0.00 H new ATOM 0 HG22 THR A 141 157.105 2.551 2.149 1.00 0.00 H new ATOM 0 HG23 THR A 141 156.765 0.820 1.912 1.00 0.00 H new ATOM 1928 N ALA A 142 152.967 1.002 4.542 1.00 0.00 N ATOM 1929 CA ALA A 142 151.648 1.131 5.154 1.00 0.00 C ATOM 1930 C ALA A 142 151.710 0.943 6.668 1.00 0.00 C ATOM 1931 O ALA A 142 150.975 1.590 7.413 1.00 0.00 O ATOM 1932 CB ALA A 142 150.692 0.100 4.550 1.00 0.00 C ATOM 0 H ALA A 142 153.137 0.111 4.075 1.00 0.00 H new ATOM 0 HA ALA A 142 151.284 2.139 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 142 149.709 0.201 5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 142 150.608 0.267 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 142 151.077 -0.903 4.732 1.00 0.00 H new ATOM 1938 N GLU A 143 152.574 0.038 7.115 1.00 0.00 N ATOM 1939 CA GLU A 143 152.703 -0.245 8.542 1.00 0.00 C ATOM 1940 C GLU A 143 153.130 0.994 9.329 1.00 0.00 C ATOM 1941 O GLU A 143 152.611 1.253 10.415 1.00 0.00 O ATOM 1942 CB GLU A 143 153.728 -1.359 8.755 1.00 0.00 C ATOM 1943 CG GLU A 143 153.754 -1.759 10.232 1.00 0.00 C ATOM 1944 CD GLU A 143 154.843 -2.799 10.468 1.00 0.00 C ATOM 1945 OE1 GLU A 143 155.525 -3.141 9.517 1.00 0.00 O ATOM 1946 OE2 GLU A 143 154.977 -3.240 11.599 1.00 0.00 O ATOM 0 H GLU A 143 153.192 -0.509 6.516 1.00 0.00 H new ATOM 0 HA GLU A 143 151.725 -0.558 8.908 1.00 0.00 H new ATOM 0 HB2 GLU A 143 153.475 -2.222 8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 143 154.716 -1.022 8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 143 153.936 -0.881 10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 143 152.785 -2.161 10.526 1.00 0.00 H new ATOM 1953 N LYS A 144 154.078 1.750 8.787 1.00 0.00 N ATOM 1954 CA LYS A 144 154.562 2.949 9.465 1.00 0.00 C ATOM 1955 C LYS A 144 153.470 4.010 9.544 1.00 0.00 C ATOM 1956 O LYS A 144 153.257 4.618 10.592 1.00 0.00 O ATOM 1957 CB LYS A 144 155.772 3.520 8.722 1.00 0.00 C ATOM 1958 CG LYS A 144 156.929 2.522 8.789 1.00 0.00 C ATOM 1959 CD LYS A 144 158.175 3.143 8.153 1.00 0.00 C ATOM 1960 CE LYS A 144 159.289 2.097 8.088 1.00 0.00 C ATOM 1961 NZ LYS A 144 159.175 1.331 6.814 1.00 0.00 N ATOM 0 H LYS A 144 154.523 1.558 7.890 1.00 0.00 H new ATOM 0 HA LYS A 144 154.852 2.670 10.478 1.00 0.00 H new ATOM 0 HB2 LYS A 144 155.512 3.722 7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 144 156.070 4.469 9.167 1.00 0.00 H new ATOM 0 HG2 LYS A 144 157.132 2.253 9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 144 156.661 1.603 8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 144 157.943 3.506 7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 144 158.503 4.004 8.736 1.00 0.00 H new ATOM 0 HE2 LYS A 144 160.263 2.583 8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 144 159.218 1.420 8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 159.767 0.478 6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 158.184 1.056 6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 159.495 1.925 6.022 1.00 0.00 H new ATOM 1975 N LEU A 145 152.796 4.239 8.425 1.00 0.00 N ATOM 1976 CA LEU A 145 151.743 5.243 8.372 1.00 0.00 C ATOM 1977 C LEU A 145 150.708 5.009 9.465 1.00 0.00 C ATOM 1978 O LEU A 145 150.160 5.961 10.021 1.00 0.00 O ATOM 1979 CB LEU A 145 151.060 5.221 7.001 1.00 0.00 C ATOM 1980 CG LEU A 145 150.086 6.399 6.885 1.00 0.00 C ATOM 1981 CD1 LEU A 145 150.146 6.969 5.467 1.00 0.00 C ATOM 1982 CD2 LEU A 145 148.660 5.919 7.174 1.00 0.00 C ATOM 0 H LEU A 145 152.958 3.746 7.547 1.00 0.00 H new ATOM 0 HA LEU A 145 152.201 6.219 8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 145 151.809 5.278 6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 145 150.525 4.281 6.866 1.00 0.00 H new ATOM 0 HG LEU A 145 150.364 7.169 7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 145 149.454 7.807 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 145 151.159 7.312 5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 145 149.868 6.195 4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 145 147.970 6.758 7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 145 148.383 5.148 6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 145 148.612 5.508 8.182 1.00 0.00 H new ATOM 1988 N ALA A 146 150.441 3.745 9.776 1.00 0.00 N ATOM 1989 CA ALA A 146 149.466 3.423 10.812 1.00 0.00 C ATOM 1990 C ALA A 146 149.964 3.893 12.175 1.00 0.00 C ATOM 1991 O ALA A 146 149.183 4.389 12.997 1.00 0.00 O ATOM 1992 CB ALA A 146 149.222 1.914 10.848 1.00 0.00 C ATOM 0 H ALA A 146 150.879 2.937 9.333 1.00 0.00 H new ATOM 0 HA ALA A 146 148.532 3.935 10.581 1.00 0.00 H new ATOM 0 HB1 ALA A 146 148.493 1.682 11.624 1.00 0.00 H new ATOM 0 HB2 ALA A 146 148.841 1.584 9.882 1.00 0.00 H new ATOM 0 HB3 ALA A 146 150.158 1.399 11.064 1.00 0.00 H new ATOM 1998 N ARG A 147 151.273 3.741 12.399 1.00 0.00 N ATOM 1999 CA ARG A 147 151.887 4.154 13.658 1.00 0.00 C ATOM 2000 C ARG A 147 151.753 5.658 13.857 1.00 0.00 C ATOM 2001 O ARG A 147 151.481 6.122 14.965 1.00 0.00 O ATOM 2002 CB ARG A 147 153.367 3.766 13.679 1.00 0.00 C ATOM 2003 CG ARG A 147 153.497 2.242 13.703 1.00 0.00 C ATOM 2004 CD ARG A 147 154.969 1.861 13.869 1.00 0.00 C ATOM 2005 NE ARG A 147 155.130 0.413 13.783 1.00 0.00 N ATOM 2006 CZ ARG A 147 156.294 -0.129 13.435 1.00 0.00 C ATOM 2007 NH1 ARG A 147 157.310 0.637 13.148 1.00 0.00 N ATOM 2008 NH2 ARG A 147 156.419 -1.428 13.381 1.00 0.00 N ATOM 0 H ARG A 147 151.923 3.336 11.725 1.00 0.00 H new ATOM 0 HA ARG A 147 151.368 3.644 14.470 1.00 0.00 H new ATOM 0 HB2 ARG A 147 153.872 4.170 12.802 1.00 0.00 H new ATOM 0 HB3 ARG A 147 153.854 4.197 14.554 1.00 0.00 H new ATOM 0 HG2 ARG A 147 152.908 1.828 14.522 1.00 0.00 H new ATOM 0 HG3 ARG A 147 153.102 1.818 12.780 1.00 0.00 H new ATOM 0 HD2 ARG A 147 155.567 2.347 13.098 1.00 0.00 H new ATOM 0 HD3 ARG A 147 155.338 2.218 14.830 1.00 0.00 H new ATOM 0 HE ARG A 147 154.337 -0.193 13.993 1.00 0.00 H new ATOM 0 HH11 ARG A 147 157.212 1.651 13.190 1.00 0.00 H new ATOM 0 HH12 ARG A 147 158.203 0.222 12.881 1.00 0.00 H new ATOM 0 HH21 ARG A 147 155.624 -2.027 13.606 1.00 0.00 H new ATOM 0 HH22 ARG A 147 157.311 -1.844 13.114 1.00 0.00 H new ATOM 2022 N ASP A 148 151.922 6.419 12.779 1.00 0.00 N ATOM 2023 CA ASP A 148 151.788 7.865 12.872 1.00 0.00 C ATOM 2024 C ASP A 148 150.455 8.173 13.526 1.00 0.00 C ATOM 2025 O ASP A 148 150.312 9.144 14.268 1.00 0.00 O ATOM 2026 CB ASP A 148 151.847 8.501 11.480 1.00 0.00 C ATOM 2027 CG ASP A 148 153.252 8.364 10.902 1.00 0.00 C ATOM 2028 OD1 ASP A 148 154.144 7.993 11.647 1.00 0.00 O ATOM 2029 OD2 ASP A 148 153.415 8.633 9.723 1.00 0.00 O ATOM 0 H ASP A 148 152.148 6.065 11.849 1.00 0.00 H new ATOM 0 HA ASP A 148 152.606 8.275 13.464 1.00 0.00 H new ATOM 0 HB2 ASP A 148 151.125 8.019 10.820 1.00 0.00 H new ATOM 0 HB3 ASP A 148 151.571 9.554 11.540 1.00 0.00 H new ATOM 2034 N LEU A 149 149.493 7.301 13.255 1.00 0.00 N ATOM 2035 CA LEU A 149 148.162 7.415 13.816 1.00 0.00 C ATOM 2036 C LEU A 149 147.741 6.047 14.344 1.00 0.00 C ATOM 2037 O LEU A 149 148.315 5.533 15.304 1.00 0.00 O ATOM 2038 CB LEU A 149 147.175 7.875 12.739 1.00 0.00 C ATOM 2039 CG LEU A 149 147.643 9.201 12.134 1.00 0.00 C ATOM 2040 CD1 LEU A 149 146.768 9.548 10.926 1.00 0.00 C ATOM 2041 CD2 LEU A 149 147.522 10.314 13.179 1.00 0.00 C ATOM 0 H LEU A 149 149.618 6.497 12.640 1.00 0.00 H new ATOM 0 HA LEU A 149 148.164 8.147 14.623 1.00 0.00 H new ATOM 0 HB2 LEU A 149 147.096 7.118 11.959 1.00 0.00 H new ATOM 0 HB3 LEU A 149 146.181 7.993 13.171 1.00 0.00 H new ATOM 0 HG LEU A 149 148.683 9.106 11.820 1.00 0.00 H new ATOM 0 HD11 LEU A 149 147.101 10.492 10.495 1.00 0.00 H new ATOM 0 HD12 LEU A 149 146.850 8.759 10.179 1.00 0.00 H new ATOM 0 HD13 LEU A 149 145.729 9.640 11.244 1.00 0.00 H new ATOM 0 HD21 LEU A 149 147.856 11.257 12.746 1.00 0.00 H new ATOM 0 HD22 LEU A 149 146.482 10.407 13.493 1.00 0.00 H new ATOM 0 HD23 LEU A 149 148.142 10.071 14.042 1.00 0.00 H new ATOM 2047 N LYS A 150 146.735 5.469 13.706 1.00 0.00 N ATOM 2048 CA LYS A 150 146.231 4.163 14.105 1.00 0.00 C ATOM 2049 C LYS A 150 145.808 3.355 12.877 1.00 0.00 C ATOM 2050 O LYS A 150 146.545 3.280 11.895 1.00 0.00 O ATOM 2051 CB LYS A 150 145.044 4.334 15.055 1.00 0.00 C ATOM 2052 CG LYS A 150 145.511 5.037 16.331 1.00 0.00 C ATOM 2053 CD LYS A 150 144.352 5.106 17.328 1.00 0.00 C ATOM 2054 CE LYS A 150 144.776 5.922 18.549 1.00 0.00 C ATOM 2055 NZ LYS A 150 144.613 7.374 18.257 1.00 0.00 N ATOM 0 H LYS A 150 146.251 5.883 12.909 1.00 0.00 H new ATOM 0 HA LYS A 150 147.026 3.622 14.618 1.00 0.00 H new ATOM 0 HB2 LYS A 150 144.259 4.916 14.572 1.00 0.00 H new ATOM 0 HB3 LYS A 150 144.616 3.362 15.298 1.00 0.00 H new ATOM 0 HG2 LYS A 150 146.351 4.498 16.770 1.00 0.00 H new ATOM 0 HG3 LYS A 150 145.864 6.041 16.097 1.00 0.00 H new ATOM 0 HD2 LYS A 150 143.481 5.562 16.858 1.00 0.00 H new ATOM 0 HD3 LYS A 150 144.060 4.101 17.633 1.00 0.00 H new ATOM 0 HE2 LYS A 150 144.172 5.644 19.413 1.00 0.00 H new ATOM 0 HE3 LYS A 150 145.814 5.705 18.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 144.901 7.930 19.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 145.207 7.633 17.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 143.617 7.574 18.036 1.00 0.00 H new ATOM 2069 N ALA A 151 144.621 2.753 12.942 1.00 0.00 N ATOM 2070 CA ALA A 151 144.112 1.949 11.832 1.00 0.00 C ATOM 2071 C ALA A 151 143.086 0.927 12.337 1.00 0.00 C ATOM 2072 O ALA A 151 142.599 1.025 13.462 1.00 0.00 O ATOM 2073 CB ALA A 151 145.275 1.215 11.151 1.00 0.00 C ATOM 0 H ALA A 151 143.997 2.806 13.747 1.00 0.00 H new ATOM 0 HA ALA A 151 143.626 2.611 11.115 1.00 0.00 H new ATOM 0 HB1 ALA A 151 144.893 0.616 10.324 1.00 0.00 H new ATOM 0 HB2 ALA A 151 145.992 1.943 10.771 1.00 0.00 H new ATOM 0 HB3 ALA A 151 145.767 0.564 11.873 1.00 0.00 H new ATOM 2079 N VAL A 152 142.771 -0.041 11.493 1.00 0.00 N ATOM 2080 CA VAL A 152 141.826 -1.101 11.843 1.00 0.00 C ATOM 2081 C VAL A 152 142.283 -2.415 11.215 1.00 0.00 C ATOM 2082 O VAL A 152 142.410 -3.430 11.899 1.00 0.00 O ATOM 2083 CB VAL A 152 140.411 -0.766 11.367 1.00 0.00 C ATOM 2084 CG1 VAL A 152 139.565 -2.039 11.356 1.00 0.00 C ATOM 2085 CG2 VAL A 152 139.782 0.253 12.322 1.00 0.00 C ATOM 0 H VAL A 152 143.157 -0.119 10.552 1.00 0.00 H new ATOM 0 HA VAL A 152 141.803 -1.195 12.929 1.00 0.00 H new ATOM 0 HB VAL A 152 140.454 -0.347 10.362 1.00 0.00 H new ATOM 0 HG11 VAL A 152 138.556 -1.803 11.017 1.00 0.00 H new ATOM 0 HG12 VAL A 152 140.013 -2.768 10.681 1.00 0.00 H new ATOM 0 HG13 VAL A 152 139.521 -2.456 12.362 1.00 0.00 H new ATOM 0 HG21 VAL A 152 138.774 0.493 11.985 1.00 0.00 H new ATOM 0 HG22 VAL A 152 139.738 -0.168 13.326 1.00 0.00 H new ATOM 0 HG23 VAL A 152 140.386 1.160 12.335 1.00 0.00 H new ATOM 2089 N LYS A 153 142.551 -2.381 9.910 1.00 0.00 N ATOM 2090 CA LYS A 153 143.020 -3.577 9.203 1.00 0.00 C ATOM 2091 C LYS A 153 144.043 -3.182 8.136 1.00 0.00 C ATOM 2092 O LYS A 153 144.474 -2.031 8.092 1.00 0.00 O ATOM 2093 CB LYS A 153 141.849 -4.321 8.559 1.00 0.00 C ATOM 2094 CG LYS A 153 142.114 -5.826 8.641 1.00 0.00 C ATOM 2095 CD LYS A 153 141.063 -6.588 7.837 1.00 0.00 C ATOM 2096 CE LYS A 153 141.276 -8.091 8.032 1.00 0.00 C ATOM 2097 NZ LYS A 153 142.671 -8.340 8.492 1.00 0.00 N ATOM 0 H LYS A 153 142.454 -1.551 9.325 1.00 0.00 H new ATOM 0 HA LYS A 153 143.493 -4.243 9.925 1.00 0.00 H new ATOM 0 HB2 LYS A 153 140.918 -4.074 9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 153 141.733 -4.014 7.519 1.00 0.00 H new ATOM 0 HG2 LYS A 153 143.109 -6.049 8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 153 142.093 -6.151 9.681 1.00 0.00 H new ATOM 0 HD2 LYS A 153 140.062 -6.305 8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 153 141.139 -6.331 6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 153 140.566 -8.478 8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 153 141.090 -8.620 7.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 142.875 -9.359 8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 143.336 -7.826 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 142.777 -8.009 9.472 1.00 0.00 H new ATOM 2111 N TYR A 154 144.421 -4.121 7.259 1.00 0.00 N ATOM 2112 CA TYR A 154 145.375 -3.810 6.209 1.00 0.00 C ATOM 2113 C TYR A 154 145.350 -4.926 5.190 1.00 0.00 C ATOM 2114 O TYR A 154 145.999 -5.957 5.362 1.00 0.00 O ATOM 2115 CB TYR A 154 146.793 -3.671 6.777 1.00 0.00 C ATOM 2116 CG TYR A 154 146.756 -3.726 8.286 1.00 0.00 C ATOM 2117 CD1 TYR A 154 146.665 -4.961 8.940 1.00 0.00 C ATOM 2118 CD2 TYR A 154 146.815 -2.543 9.031 1.00 0.00 C ATOM 2119 CE1 TYR A 154 146.631 -5.010 10.340 1.00 0.00 C ATOM 2120 CE2 TYR A 154 146.781 -2.592 10.429 1.00 0.00 C ATOM 2121 CZ TYR A 154 146.690 -3.825 11.084 1.00 0.00 C ATOM 2122 OH TYR A 154 146.657 -3.875 12.462 1.00 0.00 O ATOM 0 H TYR A 154 144.083 -5.083 7.261 1.00 0.00 H new ATOM 0 HA TYR A 154 145.099 -2.862 5.748 1.00 0.00 H new ATOM 0 HB2 TYR A 154 147.427 -4.469 6.392 1.00 0.00 H new ATOM 0 HB3 TYR A 154 147.233 -2.729 6.450 1.00 0.00 H new ATOM 0 HD1 TYR A 154 146.621 -5.875 8.366 1.00 0.00 H new ATOM 0 HD2 TYR A 154 146.887 -1.591 8.526 1.00 0.00 H new ATOM 0 HE1 TYR A 154 146.559 -5.962 10.845 1.00 0.00 H new ATOM 0 HE2 TYR A 154 146.825 -1.678 11.003 1.00 0.00 H new ATOM 0 HH TYR A 154 146.708 -2.966 12.824 1.00 0.00 H new ATOM 2132 N VAL A 155 144.583 -4.721 4.140 1.00 0.00 N ATOM 2133 CA VAL A 155 144.463 -5.713 3.114 1.00 0.00 C ATOM 2134 C VAL A 155 144.536 -5.070 1.744 1.00 0.00 C ATOM 2135 O VAL A 155 144.173 -3.908 1.565 1.00 0.00 O ATOM 2136 CB VAL A 155 143.128 -6.425 3.269 1.00 0.00 C ATOM 2137 CG1 VAL A 155 143.002 -6.982 4.688 1.00 0.00 C ATOM 2138 CG2 VAL A 155 141.990 -5.439 3.005 1.00 0.00 C ATOM 0 H VAL A 155 144.037 -3.874 3.982 1.00 0.00 H new ATOM 0 HA VAL A 155 145.282 -6.426 3.208 1.00 0.00 H new ATOM 0 HB VAL A 155 143.072 -7.245 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 155 142.044 -7.491 4.795 1.00 0.00 H new ATOM 0 HG12 VAL A 155 143.811 -7.688 4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 155 143.060 -6.164 5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 155 141.033 -5.949 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 155 142.048 -4.617 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 155 142.076 -5.047 1.992 1.00 0.00 H new ATOM 2142 N GLU A 156 144.973 -5.848 0.779 1.00 0.00 N ATOM 2143 CA GLU A 156 145.055 -5.365 -0.584 1.00 0.00 C ATOM 2144 C GLU A 156 144.449 -6.416 -1.475 1.00 0.00 C ATOM 2145 O GLU A 156 145.108 -7.376 -1.841 1.00 0.00 O ATOM 2146 CB GLU A 156 146.511 -5.120 -0.975 1.00 0.00 C ATOM 2147 CG GLU A 156 147.420 -6.075 -0.199 1.00 0.00 C ATOM 2148 CD GLU A 156 147.524 -5.633 1.256 1.00 0.00 C ATOM 2149 OE1 GLU A 156 147.171 -4.498 1.536 1.00 0.00 O ATOM 2150 OE2 GLU A 156 147.953 -6.434 2.069 1.00 0.00 O ATOM 0 H GLU A 156 145.276 -6.813 0.910 1.00 0.00 H new ATOM 0 HA GLU A 156 144.520 -4.421 -0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 156 146.640 -5.270 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 156 146.786 -4.087 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 156 147.024 -7.089 -0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 156 148.411 -6.095 -0.653 1.00 0.00 H new ATOM 2157 N CYS A 157 143.172 -6.248 -1.757 1.00 0.00 N ATOM 2158 CA CYS A 157 142.431 -7.206 -2.528 1.00 0.00 C ATOM 2159 C CYS A 157 142.041 -6.707 -3.886 1.00 0.00 C ATOM 2160 O CYS A 157 141.718 -5.541 -4.107 1.00 0.00 O ATOM 2161 CB CYS A 157 141.150 -7.588 -1.778 1.00 0.00 C ATOM 2162 SG CYS A 157 139.750 -6.732 -2.528 1.00 0.00 S ATOM 0 H CYS A 157 142.626 -5.441 -1.455 1.00 0.00 H new ATOM 0 HA CYS A 157 143.092 -8.062 -2.665 1.00 0.00 H new ATOM 0 HB2 CYS A 157 140.997 -8.666 -1.819 1.00 0.00 H new ATOM 0 HB3 CYS A 157 141.236 -7.318 -0.725 1.00 0.00 H new ATOM 0 HG CYS A 157 139.516 -7.232 -3.705 1.00 0.00 H new ATOM 2168 N SER A 158 142.001 -7.669 -4.754 1.00 0.00 N ATOM 2169 CA SER A 158 141.564 -7.494 -6.106 1.00 0.00 C ATOM 2170 C SER A 158 141.094 -8.845 -6.545 1.00 0.00 C ATOM 2171 O SER A 158 141.865 -9.680 -7.017 1.00 0.00 O ATOM 2172 CB SER A 158 142.689 -7.013 -7.000 1.00 0.00 C ATOM 2173 OG SER A 158 142.139 -6.563 -8.231 1.00 0.00 O ATOM 0 H SER A 158 142.279 -8.626 -4.536 1.00 0.00 H new ATOM 0 HA SER A 158 140.781 -6.739 -6.171 1.00 0.00 H new ATOM 0 HB2 SER A 158 143.237 -6.206 -6.515 1.00 0.00 H new ATOM 0 HB3 SER A 158 143.400 -7.820 -7.178 1.00 0.00 H new ATOM 0 HG SER A 158 142.718 -6.844 -8.970 1.00 0.00 H new ATOM 2179 N ALA A 159 139.824 -9.058 -6.337 1.00 0.00 N ATOM 2180 CA ALA A 159 139.231 -10.333 -6.663 1.00 0.00 C ATOM 2181 C ALA A 159 140.182 -11.442 -6.225 1.00 0.00 C ATOM 2182 O ALA A 159 140.210 -12.524 -6.811 1.00 0.00 O ATOM 2183 CB ALA A 159 138.977 -10.407 -8.165 1.00 0.00 C ATOM 0 H ALA A 159 139.179 -8.371 -5.945 1.00 0.00 H new ATOM 0 HA ALA A 159 138.279 -10.451 -6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 159 138.529 -11.370 -8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 159 138.299 -9.606 -8.459 1.00 0.00 H new ATOM 0 HB3 ALA A 159 139.921 -10.299 -8.699 1.00 0.00 H new ATOM 2189 N LEU A 160 140.977 -11.147 -5.192 1.00 0.00 N ATOM 2190 CA LEU A 160 141.948 -12.109 -4.676 1.00 0.00 C ATOM 2191 C LEU A 160 142.005 -12.096 -3.143 1.00 0.00 C ATOM 2192 O LEU A 160 141.553 -13.048 -2.510 1.00 0.00 O ATOM 2193 CB LEU A 160 143.335 -11.803 -5.249 1.00 0.00 C ATOM 2194 CG LEU A 160 143.383 -12.228 -6.721 1.00 0.00 C ATOM 2195 CD1 LEU A 160 144.581 -11.566 -7.403 1.00 0.00 C ATOM 2196 CD2 LEU A 160 143.526 -13.751 -6.823 1.00 0.00 C ATOM 0 H LEU A 160 140.966 -10.253 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 160 141.629 -13.103 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 160 143.551 -10.738 -5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 160 144.100 -12.332 -4.681 1.00 0.00 H new ATOM 0 HG LEU A 160 142.459 -11.919 -7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 160 144.616 -11.868 -8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 160 144.482 -10.482 -7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 160 145.500 -11.876 -6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 160 143.559 -14.044 -7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 160 144.446 -14.064 -6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 160 142.674 -14.230 -6.340 1.00 0.00 H new ATOM 2202 N THR A 161 142.615 -11.051 -2.557 1.00 0.00 N ATOM 2203 CA THR A 161 142.763 -10.980 -1.084 1.00 0.00 C ATOM 2204 C THR A 161 141.418 -11.045 -0.370 1.00 0.00 C ATOM 2205 O THR A 161 141.185 -10.332 0.607 1.00 0.00 O ATOM 2206 CB THR A 161 143.522 -9.718 -0.637 1.00 0.00 C ATOM 2207 OG1 THR A 161 144.593 -9.481 -1.535 1.00 0.00 O ATOM 2208 CG2 THR A 161 144.068 -9.892 0.795 1.00 0.00 C ATOM 0 H THR A 161 143.008 -10.257 -3.063 1.00 0.00 H new ATOM 0 HA THR A 161 143.349 -11.855 -0.802 1.00 0.00 H new ATOM 0 HB THR A 161 142.839 -8.869 -0.642 1.00 0.00 H new ATOM 0 HG1 THR A 161 144.949 -8.580 -1.389 1.00 0.00 H new ATOM 0 HG21 THR A 161 144.601 -8.989 1.093 1.00 0.00 H new ATOM 0 HG22 THR A 161 143.240 -10.067 1.481 1.00 0.00 H new ATOM 0 HG23 THR A 161 144.749 -10.742 0.824 1.00 0.00 H new ATOM 2213 N GLN A 162 140.565 -11.956 -0.819 1.00 0.00 N ATOM 2214 CA GLN A 162 139.282 -12.178 -0.181 1.00 0.00 C ATOM 2215 C GLN A 162 139.575 -12.935 1.104 1.00 0.00 C ATOM 2216 O GLN A 162 138.707 -13.540 1.723 1.00 0.00 O ATOM 2217 CB GLN A 162 138.367 -13.007 -1.091 1.00 0.00 C ATOM 2218 CG GLN A 162 136.917 -12.906 -0.605 1.00 0.00 C ATOM 2219 CD GLN A 162 136.050 -13.919 -1.344 1.00 0.00 C ATOM 2220 OE1 GLN A 162 136.301 -15.122 -1.270 1.00 0.00 O ATOM 2221 NE2 GLN A 162 135.040 -13.504 -2.059 1.00 0.00 N ATOM 0 H GLN A 162 140.743 -12.554 -1.626 1.00 0.00 H new ATOM 0 HA GLN A 162 138.770 -11.236 0.019 1.00 0.00 H new ATOM 0 HB2 GLN A 162 138.441 -12.650 -2.118 1.00 0.00 H new ATOM 0 HB3 GLN A 162 138.688 -14.049 -1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 162 136.871 -13.089 0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 162 136.537 -11.898 -0.773 1.00 0.00 H new ATOM 0 HE21 GLN A 162 134.833 -12.507 -2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 162 134.457 -14.177 -2.557 1.00 0.00 H new ATOM 2228 N LYS A 163 140.834 -12.833 1.504 1.00 0.00 N ATOM 2229 CA LYS A 163 141.315 -13.442 2.727 1.00 0.00 C ATOM 2230 C LYS A 163 141.567 -12.335 3.726 1.00 0.00 C ATOM 2231 O LYS A 163 141.935 -12.576 4.876 1.00 0.00 O ATOM 2232 CB LYS A 163 142.614 -14.212 2.470 1.00 0.00 C ATOM 2233 CG LYS A 163 142.345 -15.367 1.503 1.00 0.00 C ATOM 2234 CD LYS A 163 143.617 -16.201 1.338 1.00 0.00 C ATOM 2235 CE LYS A 163 143.381 -17.283 0.283 1.00 0.00 C ATOM 2236 NZ LYS A 163 142.868 -16.653 -0.967 1.00 0.00 N ATOM 0 H LYS A 163 141.550 -12.323 0.986 1.00 0.00 H new ATOM 0 HA LYS A 163 140.575 -14.146 3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 163 143.368 -13.544 2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 163 143.012 -14.596 3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 163 141.535 -15.991 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 163 142.024 -14.979 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 163 144.448 -15.562 1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 163 143.891 -16.658 2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 163 144.309 -17.817 0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 163 142.666 -18.017 0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 143.024 -17.296 -1.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 141.850 -16.464 -0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 143.371 -15.759 -1.137 1.00 0.00 H new ATOM 2250 N GLY A 164 141.332 -11.109 3.266 1.00 0.00 N ATOM 2251 CA GLY A 164 141.493 -9.930 4.097 1.00 0.00 C ATOM 2252 C GLY A 164 140.284 -9.029 3.941 1.00 0.00 C ATOM 2253 O GLY A 164 139.804 -8.461 4.914 1.00 0.00 O ATOM 0 H GLY A 164 141.027 -10.910 2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 164 141.610 -10.222 5.141 1.00 0.00 H new ATOM 0 HA3 GLY A 164 142.398 -9.393 3.813 1.00 0.00 H new ATOM 2257 N LEU A 165 139.770 -8.946 2.710 1.00 0.00 N ATOM 2258 CA LEU A 165 138.577 -8.142 2.450 1.00 0.00 C ATOM 2259 C LEU A 165 137.336 -8.834 3.000 1.00 0.00 C ATOM 2260 O LEU A 165 136.324 -8.192 3.283 1.00 0.00 O ATOM 2261 CB LEU A 165 138.389 -7.865 0.963 1.00 0.00 C ATOM 2262 CG LEU A 165 137.460 -6.652 0.820 1.00 0.00 C ATOM 2263 CD1 LEU A 165 138.243 -5.363 1.085 1.00 0.00 C ATOM 2264 CD2 LEU A 165 136.884 -6.605 -0.590 1.00 0.00 C ATOM 0 H LEU A 165 140.155 -9.418 1.892 1.00 0.00 H new ATOM 0 HA LEU A 165 138.718 -7.187 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 165 139.350 -7.667 0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 165 137.960 -8.734 0.465 1.00 0.00 H new ATOM 0 HG LEU A 165 136.649 -6.742 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 165 137.578 -4.506 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 165 138.651 -5.386 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 165 139.058 -5.278 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 165 136.225 -5.742 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 165 137.696 -6.523 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 165 136.318 -7.516 -0.782 1.00 0.00 H new ATOM 2270 N LYS A 166 137.429 -10.145 3.158 1.00 0.00 N ATOM 2271 CA LYS A 166 136.314 -10.928 3.691 1.00 0.00 C ATOM 2272 C LYS A 166 136.004 -10.461 5.097 1.00 0.00 C ATOM 2273 O LYS A 166 134.848 -10.414 5.518 1.00 0.00 O ATOM 2274 CB LYS A 166 136.652 -12.419 3.705 1.00 0.00 C ATOM 2275 CG LYS A 166 135.458 -13.216 4.235 1.00 0.00 C ATOM 2276 CD LYS A 166 135.828 -14.699 4.307 1.00 0.00 C ATOM 2277 CE LYS A 166 134.593 -15.518 4.684 1.00 0.00 C ATOM 2278 NZ LYS A 166 134.074 -15.056 6.002 1.00 0.00 N ATOM 0 H LYS A 166 138.259 -10.691 2.927 1.00 0.00 H new ATOM 0 HA LYS A 166 135.445 -10.781 3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 166 136.906 -12.753 2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 166 137.527 -12.597 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 166 135.174 -12.853 5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 166 134.595 -13.076 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 166 136.219 -15.034 3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 166 136.617 -14.852 5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 166 133.824 -15.409 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 166 134.846 -16.577 4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 133.276 -15.657 6.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 134.830 -15.119 6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 133.754 -14.070 5.923 1.00 0.00 H new ATOM 2292 N ASN A 167 137.055 -10.072 5.797 1.00 0.00 N ATOM 2293 CA ASN A 167 136.900 -9.554 7.137 1.00 0.00 C ATOM 2294 C ASN A 167 136.282 -8.174 7.013 1.00 0.00 C ATOM 2295 O ASN A 167 135.210 -7.909 7.541 1.00 0.00 O ATOM 2296 CB ASN A 167 138.257 -9.459 7.830 1.00 0.00 C ATOM 2297 CG ASN A 167 138.981 -10.800 7.748 1.00 0.00 C ATOM 2298 OD1 ASN A 167 140.210 -10.846 7.786 1.00 0.00 O ATOM 2299 ND2 ASN A 167 138.289 -11.901 7.631 1.00 0.00 N ATOM 0 H ASN A 167 138.017 -10.106 5.459 1.00 0.00 H new ATOM 0 HA ASN A 167 136.268 -10.212 7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 167 138.860 -8.682 7.361 1.00 0.00 H new ATOM 0 HB3 ASN A 167 138.122 -9.172 8.873 1.00 0.00 H new ATOM 0 HD21 ASN A 167 138.767 -12.800 7.571 1.00 0.00 H new ATOM 0 HD22 ASN A 167 137.270 -11.862 7.600 1.00 0.00 H new ATOM 2304 N VAL A 168 136.993 -7.310 6.298 1.00 0.00 N ATOM 2305 CA VAL A 168 136.540 -5.938 6.084 1.00 0.00 C ATOM 2306 C VAL A 168 135.023 -5.871 6.104 1.00 0.00 C ATOM 2307 O VAL A 168 134.446 -5.115 6.886 1.00 0.00 O ATOM 2308 CB VAL A 168 137.057 -5.416 4.750 1.00 0.00 C ATOM 2309 CG1 VAL A 168 136.612 -3.966 4.559 1.00 0.00 C ATOM 2310 CG2 VAL A 168 138.577 -5.479 4.768 1.00 0.00 C ATOM 0 H VAL A 168 137.885 -7.533 5.856 1.00 0.00 H new ATOM 0 HA VAL A 168 136.933 -5.317 6.889 1.00 0.00 H new ATOM 0 HB VAL A 168 136.662 -6.020 3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 168 136.983 -3.594 3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 168 135.523 -3.915 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 168 137.012 -3.353 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 168 138.968 -5.109 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 168 138.957 -4.863 5.583 1.00 0.00 H new ATOM 0 HG23 VAL A 168 138.897 -6.511 4.914 1.00 0.00 H new ATOM 2314 N PHE A 169 134.366 -6.665 5.265 1.00 0.00 N ATOM 2315 CA PHE A 169 132.909 -6.648 5.262 1.00 0.00 C ATOM 2316 C PHE A 169 132.370 -6.969 6.661 1.00 0.00 C ATOM 2317 O PHE A 169 131.509 -6.261 7.179 1.00 0.00 O ATOM 2318 CB PHE A 169 132.354 -7.654 4.250 1.00 0.00 C ATOM 2319 CG PHE A 169 131.399 -6.942 3.319 1.00 0.00 C ATOM 2320 CD1 PHE A 169 131.891 -6.043 2.366 1.00 0.00 C ATOM 2321 CD2 PHE A 169 130.022 -7.177 3.414 1.00 0.00 C ATOM 2322 CE1 PHE A 169 131.006 -5.380 1.508 1.00 0.00 C ATOM 2323 CE2 PHE A 169 129.137 -6.514 2.556 1.00 0.00 C ATOM 2324 CZ PHE A 169 129.629 -5.615 1.603 1.00 0.00 C ATOM 0 H PHE A 169 134.800 -7.306 4.601 1.00 0.00 H new ATOM 0 HA PHE A 169 132.584 -5.649 4.973 1.00 0.00 H new ATOM 0 HB2 PHE A 169 133.168 -8.104 3.682 1.00 0.00 H new ATOM 0 HB3 PHE A 169 131.841 -8.464 4.768 1.00 0.00 H new ATOM 0 HD1 PHE A 169 132.953 -5.861 2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 169 129.642 -7.870 4.150 1.00 0.00 H new ATOM 0 HE1 PHE A 169 131.386 -4.687 0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 169 128.075 -6.696 2.629 1.00 0.00 H new ATOM 0 HZ PHE A 169 128.947 -5.103 0.941 1.00 0.00 H new ATOM 2334 N ASP A 170 132.883 -8.036 7.272 1.00 0.00 N ATOM 2335 CA ASP A 170 132.438 -8.425 8.613 1.00 0.00 C ATOM 2336 C ASP A 170 132.865 -7.397 9.666 1.00 0.00 C ATOM 2337 O ASP A 170 132.066 -6.989 10.508 1.00 0.00 O ATOM 2338 CB ASP A 170 133.024 -9.789 8.982 1.00 0.00 C ATOM 2339 CG ASP A 170 132.389 -10.293 10.274 1.00 0.00 C ATOM 2340 OD1 ASP A 170 131.482 -9.638 10.760 1.00 0.00 O ATOM 2341 OD2 ASP A 170 132.820 -11.326 10.760 1.00 0.00 O ATOM 0 H ASP A 170 133.598 -8.641 6.868 1.00 0.00 H new ATOM 0 HA ASP A 170 131.349 -8.475 8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 170 132.846 -10.501 8.177 1.00 0.00 H new ATOM 0 HB3 ASP A 170 134.104 -9.710 9.104 1.00 0.00 H new ATOM 2346 N GLU A 171 134.134 -6.997 9.617 1.00 0.00 N ATOM 2347 CA GLU A 171 134.674 -6.033 10.572 1.00 0.00 C ATOM 2348 C GLU A 171 133.984 -4.680 10.444 1.00 0.00 C ATOM 2349 O GLU A 171 133.873 -3.940 11.421 1.00 0.00 O ATOM 2350 CB GLU A 171 136.178 -5.860 10.345 1.00 0.00 C ATOM 2351 CG GLU A 171 136.897 -7.174 10.652 1.00 0.00 C ATOM 2352 CD GLU A 171 138.403 -6.989 10.501 1.00 0.00 C ATOM 2353 OE1 GLU A 171 138.807 -5.927 10.058 1.00 0.00 O ATOM 2354 OE2 GLU A 171 139.129 -7.911 10.835 1.00 0.00 O ATOM 0 H GLU A 171 134.808 -7.326 8.925 1.00 0.00 H new ATOM 0 HA GLU A 171 134.493 -6.419 11.575 1.00 0.00 H new ATOM 0 HB2 GLU A 171 136.369 -5.562 9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 171 136.563 -5.065 10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 171 136.662 -7.499 11.665 1.00 0.00 H new ATOM 0 HG3 GLU A 171 136.548 -7.956 9.977 1.00 0.00 H new ATOM 2361 N ALA A 172 133.513 -4.363 9.245 1.00 0.00 N ATOM 2362 CA ALA A 172 132.831 -3.094 9.035 1.00 0.00 C ATOM 2363 C ALA A 172 131.645 -3.002 9.987 1.00 0.00 C ATOM 2364 O ALA A 172 131.293 -1.923 10.462 1.00 0.00 O ATOM 2365 CB ALA A 172 132.350 -2.980 7.589 1.00 0.00 C ATOM 0 H ALA A 172 133.588 -4.955 8.418 1.00 0.00 H new ATOM 0 HA ALA A 172 133.524 -2.276 9.232 1.00 0.00 H new ATOM 0 HB1 ALA A 172 131.842 -2.026 7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 172 133.205 -3.039 6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 172 131.659 -3.794 7.370 1.00 0.00 H new ATOM 2371 N ILE A 173 131.052 -4.155 10.274 1.00 0.00 N ATOM 2372 CA ILE A 173 129.921 -4.219 11.188 1.00 0.00 C ATOM 2373 C ILE A 173 130.351 -3.749 12.573 1.00 0.00 C ATOM 2374 O ILE A 173 129.593 -3.089 13.286 1.00 0.00 O ATOM 2375 CB ILE A 173 129.414 -5.659 11.279 1.00 0.00 C ATOM 2376 CG1 ILE A 173 129.033 -6.157 9.884 1.00 0.00 C ATOM 2377 CG2 ILE A 173 128.185 -5.710 12.190 1.00 0.00 C ATOM 2378 CD1 ILE A 173 128.835 -7.674 9.923 1.00 0.00 C ATOM 0 H ILE A 173 131.336 -5.055 9.887 1.00 0.00 H new ATOM 0 HA ILE A 173 129.125 -3.574 10.816 1.00 0.00 H new ATOM 0 HB ILE A 173 130.199 -6.294 11.689 1.00 0.00 H new ATOM 0 HG12 ILE A 173 128.118 -5.668 9.548 1.00 0.00 H new ATOM 0 HG13 ILE A 173 129.813 -5.899 9.168 1.00 0.00 H new ATOM 0 HG21 ILE A 173 127.823 -6.736 12.255 1.00 0.00 H new ATOM 0 HG22 ILE A 173 128.455 -5.356 13.185 1.00 0.00 H new ATOM 0 HG23 ILE A 173 127.401 -5.074 11.779 1.00 0.00 H new ATOM 0 HD11 ILE A 173 128.563 -8.031 8.930 1.00 0.00 H new ATOM 0 HD12 ILE A 173 129.761 -8.154 10.240 1.00 0.00 H new ATOM 0 HD13 ILE A 173 128.040 -7.919 10.627 1.00 0.00 H new ATOM 2382 N LEU A 174 131.580 -4.100 12.944 1.00 0.00 N ATOM 2383 CA LEU A 174 132.118 -3.718 14.246 1.00 0.00 C ATOM 2384 C LEU A 174 132.121 -2.202 14.396 1.00 0.00 C ATOM 2385 O LEU A 174 131.860 -1.672 15.477 1.00 0.00 O ATOM 2386 CB LEU A 174 133.546 -4.248 14.397 1.00 0.00 C ATOM 2387 CG LEU A 174 134.053 -3.966 15.814 1.00 0.00 C ATOM 2388 CD1 LEU A 174 133.263 -4.805 16.822 1.00 0.00 C ATOM 2389 CD2 LEU A 174 135.538 -4.327 15.904 1.00 0.00 C ATOM 0 H LEU A 174 132.219 -4.645 12.365 1.00 0.00 H new ATOM 0 HA LEU A 174 131.486 -4.150 15.022 1.00 0.00 H new ATOM 0 HB2 LEU A 174 133.570 -5.319 14.198 1.00 0.00 H new ATOM 0 HB3 LEU A 174 134.200 -3.774 13.665 1.00 0.00 H new ATOM 0 HG LEU A 174 133.919 -2.909 16.042 1.00 0.00 H new ATOM 0 HD11 LEU A 174 133.627 -4.601 17.829 1.00 0.00 H new ATOM 0 HD12 LEU A 174 132.205 -4.548 16.759 1.00 0.00 H new ATOM 0 HD13 LEU A 174 133.394 -5.863 16.596 1.00 0.00 H new ATOM 0 HD21 LEU A 174 135.901 -4.127 16.912 1.00 0.00 H new ATOM 0 HD22 LEU A 174 135.670 -5.384 15.674 1.00 0.00 H new ATOM 0 HD23 LEU A 174 136.102 -3.727 15.190 1.00 0.00 H new ATOM 2395 N ALA A 175 132.423 -1.511 13.305 1.00 0.00 N ATOM 2396 CA ALA A 175 132.464 -0.055 13.319 1.00 0.00 C ATOM 2397 C ALA A 175 131.089 0.517 13.646 1.00 0.00 C ATOM 2398 O ALA A 175 130.978 1.615 14.193 1.00 0.00 O ATOM 2399 CB ALA A 175 132.929 0.464 11.958 1.00 0.00 C ATOM 0 H ALA A 175 132.642 -1.933 12.403 1.00 0.00 H new ATOM 0 HA ALA A 175 133.167 0.265 14.088 1.00 0.00 H new ATOM 0 HB1 ALA A 175 132.958 1.553 11.974 1.00 0.00 H new ATOM 0 HB2 ALA A 175 133.925 0.078 11.742 1.00 0.00 H new ATOM 0 HB3 ALA A 175 132.236 0.131 11.185 1.00 0.00 H new ATOM 2405 N ALA A 176 130.041 -0.227 13.301 1.00 0.00 N ATOM 2406 CA ALA A 176 128.682 0.227 13.562 1.00 0.00 C ATOM 2407 C ALA A 176 128.476 0.508 15.046 1.00 0.00 C ATOM 2408 O ALA A 176 127.775 1.449 15.416 1.00 0.00 O ATOM 2409 CB ALA A 176 127.684 -0.835 13.112 1.00 0.00 C ATOM 0 H ALA A 176 130.107 -1.137 12.845 1.00 0.00 H new ATOM 0 HA ALA A 176 128.521 1.149 13.003 1.00 0.00 H new ATOM 0 HB1 ALA A 176 126.670 -0.488 13.310 1.00 0.00 H new ATOM 0 HB2 ALA A 176 127.803 -1.017 12.044 1.00 0.00 H new ATOM 0 HB3 ALA A 176 127.865 -1.760 13.660 1.00 0.00 H new ATOM 2415 N LEU A 177 129.087 -0.312 15.893 1.00 0.00 N ATOM 2416 CA LEU A 177 128.956 -0.133 17.335 1.00 0.00 C ATOM 2417 C LEU A 177 129.479 1.235 17.757 1.00 0.00 C ATOM 2418 O LEU A 177 128.979 1.835 18.709 1.00 0.00 O ATOM 2419 CB LEU A 177 129.722 -1.230 18.077 1.00 0.00 C ATOM 2420 CG LEU A 177 128.965 -2.554 17.954 1.00 0.00 C ATOM 2421 CD1 LEU A 177 129.003 -3.039 16.504 1.00 0.00 C ATOM 2422 CD2 LEU A 177 129.623 -3.602 18.856 1.00 0.00 C ATOM 0 H LEU A 177 129.672 -1.099 15.611 1.00 0.00 H new ATOM 0 HA LEU A 177 127.899 -0.199 17.592 1.00 0.00 H new ATOM 0 HB2 LEU A 177 130.725 -1.332 17.662 1.00 0.00 H new ATOM 0 HB3 LEU A 177 129.837 -0.961 19.127 1.00 0.00 H new ATOM 0 HG LEU A 177 127.929 -2.405 18.258 1.00 0.00 H new ATOM 0 HD11 LEU A 177 128.463 -3.982 16.422 1.00 0.00 H new ATOM 0 HD12 LEU A 177 128.535 -2.295 15.859 1.00 0.00 H new ATOM 0 HD13 LEU A 177 130.038 -3.186 16.197 1.00 0.00 H new ATOM 0 HD21 LEU A 177 129.085 -4.546 18.770 1.00 0.00 H new ATOM 0 HD22 LEU A 177 130.659 -3.746 18.551 1.00 0.00 H new ATOM 0 HD23 LEU A 177 129.594 -3.261 19.891 1.00 0.00 H new ATOM 2428 N GLU A 178 130.486 1.727 17.045 1.00 0.00 N ATOM 2429 CA GLU A 178 131.065 3.028 17.359 1.00 0.00 C ATOM 2430 C GLU A 178 131.470 3.092 18.828 1.00 0.00 C ATOM 2431 O GLU A 178 132.593 3.474 19.147 1.00 99.99 O ATOM 2432 CB GLU A 178 130.052 4.134 17.060 1.00 0.00 C ATOM 2433 CG GLU A 178 129.729 4.138 15.566 1.00 0.00 C ATOM 2434 CD GLU A 178 128.759 5.270 15.245 1.00 0.00 C ATOM 2435 OE1 GLU A 178 128.242 5.863 16.178 1.00 0.00 O ATOM 2436 OE2 GLU A 178 128.548 5.528 14.072 1.00 0.00 O ATOM 0 H GLU A 178 130.916 1.250 16.253 1.00 0.00 H new ATOM 0 HA GLU A 178 131.952 3.170 16.742 1.00 0.00 H new ATOM 0 HB2 GLU A 178 129.142 3.975 17.639 1.00 0.00 H new ATOM 0 HB3 GLU A 178 130.455 5.102 17.359 1.00 0.00 H new ATOM 0 HG2 GLU A 178 130.645 4.258 14.988 1.00 0.00 H new ATOM 0 HG3 GLU A 178 129.293 3.182 15.277 1.00 0.00 H new