USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 THR OG1 : rot 180:sc= 0.206 USER MOD Set 1.2: A 16 GLN : amide:sc= 0 X(o=0.21,f=0.21) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0562 X(o=-0.056,f=-0.29) USER MOD Single : A 17 LYS NZ :NH3+ -145:sc= -0.294 (180deg=-1.67!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0.375 (180deg=0.365) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.779 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00672 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -136:sc= 1.17 (180deg=0.292) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -146:sc= -0.0671 (180deg=-1.84!) USER MOD Single : A 50 GLN : amide:sc= -2.32 K(o=-2.3,f=-4.9!) USER MOD Single : A 51 ASN : amide:sc= -0.936! C(o=-0.94!,f=-6.5!) USER MOD Single : A 53 THR OG1 : rot 169:sc= 0.53 USER MOD Single : A 58 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.0036) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.00517 USER MOD Single : A 71 THR OG1 : rot -88:sc= 0.0642 USER MOD Single : A 80 MET CE :methyl 158:sc= -5.81! (180deg=-8.7!) USER MOD Single : A 81 MET CE :methyl 149:sc= -2.19! (180deg=-4.54!) USER MOD Single : A 84 CYS SG : rot -41:sc= 0.0104 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -5:sc= 0.867! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 87.122 8.292 -2.897 1.00 0.00 N ATOM 2 CA MET A 1 88.411 7.589 -2.637 1.00 0.00 C ATOM 3 C MET A 1 88.218 6.504 -1.574 1.00 0.00 C ATOM 4 O MET A 1 88.337 5.326 -1.847 1.00 0.00 O ATOM 5 CB MET A 1 89.359 8.677 -2.130 1.00 0.00 C ATOM 6 CG MET A 1 90.489 8.883 -3.141 1.00 0.00 C ATOM 7 SD MET A 1 90.909 10.642 -3.228 1.00 0.00 S ATOM 8 CE MET A 1 92.070 10.667 -1.840 1.00 0.00 C ATOM 0 H1 MET A 1 87.266 9.026 -3.620 1.00 0.00 H new ATOM 0 H2 MET A 1 86.415 7.608 -3.234 1.00 0.00 H new ATOM 0 H3 MET A 1 86.784 8.734 -2.018 1.00 0.00 H new ATOM 0 HA MET A 1 88.799 7.093 -3.527 1.00 0.00 H new ATOM 0 HB2 MET A 1 88.814 9.609 -1.983 1.00 0.00 H new ATOM 0 HB3 MET A 1 89.771 8.393 -1.162 1.00 0.00 H new ATOM 0 HG2 MET A 1 91.364 8.303 -2.847 1.00 0.00 H new ATOM 0 HG3 MET A 1 90.183 8.522 -4.123 1.00 0.00 H new ATOM 0 HE1 MET A 1 92.460 11.676 -1.710 1.00 0.00 H new ATOM 0 HE2 MET A 1 91.556 10.357 -0.930 1.00 0.00 H new ATOM 0 HE3 MET A 1 92.894 9.983 -2.042 1.00 0.00 H new ATOM 20 N ASP A 2 87.920 6.892 -0.363 1.00 0.00 N ATOM 21 CA ASP A 2 87.718 5.880 0.715 1.00 0.00 C ATOM 22 C ASP A 2 86.235 5.512 0.823 1.00 0.00 C ATOM 23 O ASP A 2 85.394 6.353 1.067 1.00 0.00 O ATOM 24 CB ASP A 2 88.197 6.564 1.996 1.00 0.00 C ATOM 25 CG ASP A 2 88.846 5.529 2.916 1.00 0.00 C ATOM 26 OD1 ASP A 2 88.776 4.354 2.596 1.00 0.00 O ATOM 27 OD2 ASP A 2 89.402 5.929 3.926 1.00 0.00 O ATOM 0 H ASP A 2 87.808 7.864 -0.074 1.00 0.00 H new ATOM 0 HA ASP A 2 88.261 4.955 0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 2 88.912 7.351 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 2 87.357 7.040 2.502 1.00 0.00 H new ATOM 32 N ASP A 3 85.909 4.261 0.644 1.00 0.00 N ATOM 33 CA ASP A 3 84.480 3.843 0.736 1.00 0.00 C ATOM 34 C ASP A 3 84.345 2.603 1.624 1.00 0.00 C ATOM 35 O ASP A 3 84.973 1.589 1.392 1.00 0.00 O ATOM 36 CB ASP A 3 84.070 3.520 -0.702 1.00 0.00 C ATOM 37 CG ASP A 3 84.981 2.426 -1.260 1.00 0.00 C ATOM 38 OD1 ASP A 3 86.186 2.552 -1.111 1.00 0.00 O ATOM 39 OD2 ASP A 3 84.460 1.479 -1.825 1.00 0.00 O ATOM 0 H ASP A 3 86.569 3.511 0.438 1.00 0.00 H new ATOM 0 HA ASP A 3 83.851 4.617 1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 3 83.031 3.192 -0.730 1.00 0.00 H new ATOM 0 HB3 ASP A 3 84.138 4.415 -1.320 1.00 0.00 H new ATOM 44 N ILE A 4 83.529 2.676 2.640 1.00 0.00 N ATOM 45 CA ILE A 4 83.354 1.501 3.541 1.00 0.00 C ATOM 46 C ILE A 4 81.999 0.835 3.287 1.00 0.00 C ATOM 47 O ILE A 4 81.785 -0.310 3.632 1.00 0.00 O ATOM 48 CB ILE A 4 83.415 2.074 4.958 1.00 0.00 C ATOM 49 CG1 ILE A 4 82.113 2.821 5.264 1.00 0.00 C ATOM 50 CG2 ILE A 4 84.594 3.043 5.066 1.00 0.00 C ATOM 51 CD1 ILE A 4 81.298 2.026 6.286 1.00 0.00 C ATOM 0 H ILE A 4 82.976 3.498 2.885 1.00 0.00 H new ATOM 0 HA ILE A 4 84.116 0.739 3.377 1.00 0.00 H new ATOM 0 HB ILE A 4 83.545 1.261 5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 4 82.334 3.815 5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 4 81.536 2.958 4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 4 84.638 3.452 6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 4 85.521 2.513 4.848 1.00 0.00 H new ATOM 0 HG23 ILE A 4 84.464 3.855 4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 4 80.371 2.557 6.504 1.00 0.00 H new ATOM 0 HD12 ILE A 4 81.065 1.042 5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 4 81.876 1.912 7.203 1.00 0.00 H new ATOM 63 N TYR A 5 81.082 1.544 2.687 1.00 0.00 N ATOM 64 CA TYR A 5 79.742 0.950 2.413 1.00 0.00 C ATOM 65 C TYR A 5 79.832 -0.048 1.256 1.00 0.00 C ATOM 66 O TYR A 5 79.184 -1.076 1.259 1.00 0.00 O ATOM 67 CB TYR A 5 78.856 2.136 2.030 1.00 0.00 C ATOM 68 CG TYR A 5 78.912 3.175 3.123 1.00 0.00 C ATOM 69 CD1 TYR A 5 78.059 3.074 4.229 1.00 0.00 C ATOM 70 CD2 TYR A 5 79.818 4.238 3.032 1.00 0.00 C ATOM 71 CE1 TYR A 5 78.111 4.037 5.243 1.00 0.00 C ATOM 72 CE2 TYR A 5 79.870 5.201 4.047 1.00 0.00 C ATOM 73 CZ TYR A 5 79.017 5.102 5.152 1.00 0.00 C ATOM 74 OH TYR A 5 79.068 6.050 6.153 1.00 0.00 O ATOM 0 H TYR A 5 81.202 2.508 2.375 1.00 0.00 H new ATOM 0 HA TYR A 5 79.348 0.406 3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 5 79.192 2.566 1.086 1.00 0.00 H new ATOM 0 HB3 TYR A 5 77.829 1.804 1.881 1.00 0.00 H new ATOM 0 HD1 TYR A 5 77.361 2.253 4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 5 80.476 4.315 2.179 1.00 0.00 H new ATOM 0 HE1 TYR A 5 77.453 3.959 6.096 1.00 0.00 H new ATOM 0 HE2 TYR A 5 80.569 6.021 3.977 1.00 0.00 H new ATOM 0 HH TYR A 5 79.751 6.719 5.936 1.00 0.00 H new ATOM 84 N LYS A 6 80.632 0.244 0.268 1.00 0.00 N ATOM 85 CA LYS A 6 80.763 -0.690 -0.886 1.00 0.00 C ATOM 86 C LYS A 6 80.933 -2.126 -0.382 1.00 0.00 C ATOM 87 O LYS A 6 80.509 -3.071 -1.017 1.00 0.00 O ATOM 88 CB LYS A 6 82.016 -0.230 -1.630 1.00 0.00 C ATOM 89 CG LYS A 6 81.650 0.123 -3.073 1.00 0.00 C ATOM 90 CD LYS A 6 80.756 1.364 -3.083 1.00 0.00 C ATOM 91 CE LYS A 6 81.625 2.620 -3.166 1.00 0.00 C ATOM 92 NZ LYS A 6 80.824 3.686 -2.503 1.00 0.00 N ATOM 0 H LYS A 6 81.201 1.089 0.210 1.00 0.00 H new ATOM 0 HA LYS A 6 79.883 -0.680 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 6 82.451 0.636 -1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 6 82.770 -1.017 -1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 6 82.554 0.308 -3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 6 81.134 -0.714 -3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 6 80.072 1.326 -3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 6 80.144 1.391 -2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 6 82.580 2.473 -2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 6 81.847 2.879 -4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 81.355 4.580 -2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 79.923 3.808 -3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 80.634 3.415 -1.517 1.00 0.00 H new ATOM 106 N ALA A 7 81.546 -2.295 0.757 1.00 0.00 N ATOM 107 CA ALA A 7 81.740 -3.670 1.302 1.00 0.00 C ATOM 108 C ALA A 7 80.395 -4.256 1.737 1.00 0.00 C ATOM 109 O ALA A 7 80.226 -5.456 1.819 1.00 0.00 O ATOM 110 CB ALA A 7 82.664 -3.491 2.506 1.00 0.00 C ATOM 0 H ALA A 7 81.921 -1.542 1.334 1.00 0.00 H new ATOM 0 HA ALA A 7 82.162 -4.354 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 7 82.856 -4.461 2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 7 83.606 -3.051 2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.190 -2.833 3.234 1.00 0.00 H new ATOM 116 N ALA A 8 79.435 -3.415 2.016 1.00 0.00 N ATOM 117 CA ALA A 8 78.100 -3.922 2.444 1.00 0.00 C ATOM 118 C ALA A 8 77.406 -4.630 1.278 1.00 0.00 C ATOM 119 O ALA A 8 76.614 -5.532 1.467 1.00 0.00 O ATOM 120 CB ALA A 8 77.317 -2.675 2.855 1.00 0.00 C ATOM 0 H ALA A 8 79.518 -2.400 1.966 1.00 0.00 H new ATOM 0 HA ALA A 8 78.173 -4.644 3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 8 76.319 -2.964 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 8 77.836 -2.172 3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 8 77.237 -1.999 2.004 1.00 0.00 H new ATOM 126 N VAL A 9 77.699 -4.228 0.071 1.00 0.00 N ATOM 127 CA VAL A 9 77.058 -4.876 -1.108 1.00 0.00 C ATOM 128 C VAL A 9 77.829 -6.140 -1.500 1.00 0.00 C ATOM 129 O VAL A 9 77.304 -7.022 -2.148 1.00 0.00 O ATOM 130 CB VAL A 9 77.135 -3.833 -2.222 1.00 0.00 C ATOM 131 CG1 VAL A 9 76.536 -4.411 -3.505 1.00 0.00 C ATOM 132 CG2 VAL A 9 76.345 -2.589 -1.808 1.00 0.00 C ATOM 0 H VAL A 9 78.355 -3.479 -0.149 1.00 0.00 H new ATOM 0 HA VAL A 9 76.031 -5.181 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 9 78.177 -3.564 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 9 76.591 -3.667 -4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 9 77.095 -5.299 -3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 9 75.494 -4.680 -3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 9 76.398 -1.843 -2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 9 75.304 -2.860 -1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 9 76.770 -2.176 -0.893 1.00 0.00 H new ATOM 142 N GLU A 10 79.071 -6.233 -1.110 1.00 0.00 N ATOM 143 CA GLU A 10 79.873 -7.440 -1.460 1.00 0.00 C ATOM 144 C GLU A 10 79.450 -8.626 -0.587 1.00 0.00 C ATOM 145 O GLU A 10 79.513 -9.766 -1.000 1.00 0.00 O ATOM 146 CB GLU A 10 81.322 -7.050 -1.170 1.00 0.00 C ATOM 147 CG GLU A 10 82.191 -7.361 -2.390 1.00 0.00 C ATOM 148 CD GLU A 10 82.098 -8.853 -2.717 1.00 0.00 C ATOM 149 OE1 GLU A 10 81.019 -9.295 -3.074 1.00 0.00 O ATOM 150 OE2 GLU A 10 83.108 -9.528 -2.605 1.00 0.00 O ATOM 0 H GLU A 10 79.565 -5.526 -0.565 1.00 0.00 H new ATOM 0 HA GLU A 10 79.733 -7.743 -2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.382 -5.989 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.689 -7.596 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 10 81.862 -6.770 -3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.227 -7.085 -2.192 1.00 0.00 H new ATOM 157 N GLN A 11 79.020 -8.363 0.616 1.00 0.00 N ATOM 158 CA GLN A 11 78.593 -9.474 1.515 1.00 0.00 C ATOM 159 C GLN A 11 77.393 -10.211 0.915 1.00 0.00 C ATOM 160 O GLN A 11 77.276 -11.415 1.019 1.00 0.00 O ATOM 161 CB GLN A 11 78.204 -8.795 2.828 1.00 0.00 C ATOM 162 CG GLN A 11 79.401 -8.014 3.373 1.00 0.00 C ATOM 163 CD GLN A 11 79.695 -8.466 4.804 1.00 0.00 C ATOM 164 OE1 GLN A 11 79.767 -9.647 5.078 1.00 0.00 O ATOM 165 NE2 GLN A 11 79.872 -7.570 5.736 1.00 0.00 N ATOM 0 H GLN A 11 78.946 -7.428 1.016 1.00 0.00 H new ATOM 0 HA GLN A 11 79.380 -10.215 1.657 1.00 0.00 H new ATOM 0 HB2 GLN A 11 77.361 -8.123 2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 11 77.882 -9.541 3.554 1.00 0.00 H new ATOM 0 HG2 GLN A 11 80.274 -8.178 2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 11 79.191 -6.945 3.354 1.00 0.00 H new ATOM 0 HE21 GLN A 11 79.812 -6.578 5.508 1.00 0.00 H new ATOM 0 HE22 GLN A 11 80.071 -7.862 6.693 1.00 0.00 H new ATOM 174 N LEU A 12 76.500 -9.496 0.287 1.00 0.00 N ATOM 175 CA LEU A 12 75.308 -10.156 -0.319 1.00 0.00 C ATOM 176 C LEU A 12 75.721 -10.956 -1.558 1.00 0.00 C ATOM 177 O LEU A 12 76.266 -10.420 -2.502 1.00 0.00 O ATOM 178 CB LEU A 12 74.374 -9.009 -0.706 1.00 0.00 C ATOM 179 CG LEU A 12 74.117 -8.124 0.516 1.00 0.00 C ATOM 180 CD1 LEU A 12 73.189 -6.973 0.129 1.00 0.00 C ATOM 181 CD2 LEU A 12 73.461 -8.958 1.619 1.00 0.00 C ATOM 0 H LEU A 12 76.544 -8.484 0.167 1.00 0.00 H new ATOM 0 HA LEU A 12 74.830 -10.856 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 12 74.818 -8.419 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 12 73.432 -9.405 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 12 75.063 -7.721 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 12 73.007 -6.344 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 12 73.655 -6.379 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.242 -7.375 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.277 -8.329 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 12 72.515 -9.361 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 12 74.123 -9.779 1.897 1.00 0.00 H new ATOM 193 N THR A 13 75.466 -12.236 -1.560 1.00 0.00 N ATOM 194 CA THR A 13 75.846 -13.072 -2.736 1.00 0.00 C ATOM 195 C THR A 13 75.025 -12.666 -3.962 1.00 0.00 C ATOM 196 O THR A 13 74.054 -11.942 -3.860 1.00 0.00 O ATOM 197 CB THR A 13 75.517 -14.508 -2.323 1.00 0.00 C ATOM 198 OG1 THR A 13 74.625 -14.489 -1.217 1.00 0.00 O ATOM 199 CG2 THR A 13 76.802 -15.238 -1.933 1.00 0.00 C ATOM 0 H THR A 13 75.011 -12.740 -0.799 1.00 0.00 H new ATOM 0 HA THR A 13 76.896 -12.954 -3.004 1.00 0.00 H new ATOM 0 HB THR A 13 75.048 -15.027 -3.159 1.00 0.00 H new ATOM 0 HG1 THR A 13 74.412 -15.408 -0.953 1.00 0.00 H new ATOM 0 HG21 THR A 13 76.565 -16.261 -1.639 1.00 0.00 H new ATOM 0 HG22 THR A 13 77.484 -15.254 -2.783 1.00 0.00 H new ATOM 0 HG23 THR A 13 77.275 -14.721 -1.098 1.00 0.00 H new ATOM 207 N GLU A 14 75.406 -13.129 -5.122 1.00 0.00 N ATOM 208 CA GLU A 14 74.645 -12.771 -6.354 1.00 0.00 C ATOM 209 C GLU A 14 73.159 -13.090 -6.165 1.00 0.00 C ATOM 210 O GLU A 14 72.322 -12.211 -6.156 1.00 0.00 O ATOM 211 CB GLU A 14 75.247 -13.641 -7.458 1.00 0.00 C ATOM 212 CG GLU A 14 76.398 -12.889 -8.129 1.00 0.00 C ATOM 213 CD GLU A 14 77.467 -13.887 -8.578 1.00 0.00 C ATOM 214 OE1 GLU A 14 77.733 -14.816 -7.832 1.00 0.00 O ATOM 215 OE2 GLU A 14 78.002 -13.706 -9.659 1.00 0.00 O ATOM 0 H GLU A 14 76.210 -13.739 -5.270 1.00 0.00 H new ATOM 0 HA GLU A 14 74.714 -11.709 -6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 14 75.607 -14.581 -7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 14 74.484 -13.892 -8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 14 76.028 -12.326 -8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 14 76.828 -12.167 -7.435 1.00 0.00 H new ATOM 222 N GLU A 15 72.828 -14.344 -6.013 1.00 0.00 N ATOM 223 CA GLU A 15 71.397 -14.717 -5.825 1.00 0.00 C ATOM 224 C GLU A 15 70.733 -13.774 -4.818 1.00 0.00 C ATOM 225 O GLU A 15 69.645 -13.280 -5.039 1.00 0.00 O ATOM 226 CB GLU A 15 71.427 -16.146 -5.282 1.00 0.00 C ATOM 227 CG GLU A 15 71.063 -17.126 -6.398 1.00 0.00 C ATOM 228 CD GLU A 15 71.193 -18.560 -5.882 1.00 0.00 C ATOM 229 OE1 GLU A 15 70.823 -18.794 -4.743 1.00 0.00 O ATOM 230 OE2 GLU A 15 71.660 -19.400 -6.633 1.00 0.00 O ATOM 0 H GLU A 15 73.485 -15.124 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 15 70.827 -14.645 -6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 15 72.418 -16.376 -4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 15 70.726 -16.246 -4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 15 70.044 -16.942 -6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 15 71.719 -16.976 -7.256 1.00 0.00 H new ATOM 237 N GLN A 16 71.382 -13.522 -3.714 1.00 0.00 N ATOM 238 CA GLN A 16 70.787 -12.611 -2.693 1.00 0.00 C ATOM 239 C GLN A 16 70.601 -11.209 -3.281 1.00 0.00 C ATOM 240 O GLN A 16 69.523 -10.651 -3.248 1.00 0.00 O ATOM 241 CB GLN A 16 71.801 -12.585 -1.549 1.00 0.00 C ATOM 242 CG GLN A 16 71.290 -13.449 -0.394 1.00 0.00 C ATOM 243 CD GLN A 16 71.744 -12.845 0.936 1.00 0.00 C ATOM 244 OE1 GLN A 16 72.899 -12.946 1.300 1.00 0.00 O ATOM 245 NE2 GLN A 16 70.879 -12.217 1.682 1.00 0.00 N ATOM 0 H GLN A 16 72.296 -13.906 -3.475 1.00 0.00 H new ATOM 0 HA GLN A 16 69.805 -12.947 -2.359 1.00 0.00 H new ATOM 0 HB2 GLN A 16 72.766 -12.956 -1.895 1.00 0.00 H new ATOM 0 HB3 GLN A 16 71.956 -11.561 -1.210 1.00 0.00 H new ATOM 0 HG2 GLN A 16 70.202 -13.510 -0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 16 71.669 -14.466 -0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 16 69.909 -12.132 1.377 1.00 0.00 H new ATOM 0 HE22 GLN A 16 71.172 -11.811 2.571 1.00 0.00 H new ATOM 254 N LYS A 17 71.643 -10.639 -3.821 1.00 0.00 N ATOM 255 CA LYS A 17 71.523 -9.276 -4.413 1.00 0.00 C ATOM 256 C LYS A 17 70.268 -9.192 -5.285 1.00 0.00 C ATOM 257 O LYS A 17 69.458 -8.297 -5.142 1.00 0.00 O ATOM 258 CB LYS A 17 72.781 -9.099 -5.263 1.00 0.00 C ATOM 259 CG LYS A 17 73.912 -8.545 -4.394 1.00 0.00 C ATOM 260 CD LYS A 17 74.571 -7.361 -5.105 1.00 0.00 C ATOM 261 CE LYS A 17 75.457 -7.876 -6.243 1.00 0.00 C ATOM 262 NZ LYS A 17 76.495 -8.715 -5.576 1.00 0.00 N ATOM 0 H LYS A 17 72.572 -11.057 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 17 71.436 -8.500 -3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 17 73.076 -10.054 -5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 17 72.580 -8.421 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 17 73.520 -8.230 -3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 17 74.650 -9.323 -4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.808 -6.690 -5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 17 75.168 -6.785 -4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 17 74.879 -8.459 -6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 17 75.910 -7.052 -6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 77.398 -8.617 -6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 76.614 -8.402 -4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 76.197 -9.711 -5.589 1.00 0.00 H new ATOM 276 N ASN A 18 70.100 -10.118 -6.189 1.00 0.00 N ATOM 277 CA ASN A 18 68.897 -10.094 -7.069 1.00 0.00 C ATOM 278 C ASN A 18 67.622 -10.116 -6.221 1.00 0.00 C ATOM 279 O ASN A 18 66.591 -9.614 -6.620 1.00 0.00 O ATOM 280 CB ASN A 18 68.999 -11.361 -7.917 1.00 0.00 C ATOM 281 CG ASN A 18 69.744 -11.048 -9.217 1.00 0.00 C ATOM 282 OD1 ASN A 18 69.131 -10.774 -10.230 1.00 0.00 O ATOM 283 ND2 ASN A 18 71.048 -11.078 -9.231 1.00 0.00 N ATOM 0 H ASN A 18 70.744 -10.891 -6.356 1.00 0.00 H new ATOM 0 HA ASN A 18 68.854 -9.196 -7.685 1.00 0.00 H new ATOM 0 HB2 ASN A 18 69.523 -12.140 -7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 18 68.003 -11.743 -8.140 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.554 -10.871 -10.092 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.562 -11.308 -8.381 1.00 0.00 H new ATOM 290 N GLU A 19 67.685 -10.695 -5.053 1.00 0.00 N ATOM 291 CA GLU A 19 66.478 -10.748 -4.181 1.00 0.00 C ATOM 292 C GLU A 19 65.911 -9.340 -3.980 1.00 0.00 C ATOM 293 O GLU A 19 64.729 -9.107 -4.142 1.00 0.00 O ATOM 294 CB GLU A 19 66.971 -11.322 -2.852 1.00 0.00 C ATOM 295 CG GLU A 19 65.776 -11.825 -2.040 1.00 0.00 C ATOM 296 CD GLU A 19 65.497 -13.287 -2.395 1.00 0.00 C ATOM 297 OE1 GLU A 19 64.970 -13.524 -3.471 1.00 0.00 O ATOM 298 OE2 GLU A 19 65.814 -14.143 -1.587 1.00 0.00 O ATOM 0 H GLU A 19 68.520 -11.134 -4.665 1.00 0.00 H new ATOM 0 HA GLU A 19 65.682 -11.354 -4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 19 67.671 -12.138 -3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 19 67.510 -10.558 -2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 19 65.982 -11.732 -0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 19 64.898 -11.215 -2.250 1.00 0.00 H new ATOM 305 N PHE A 20 66.745 -8.398 -3.633 1.00 0.00 N ATOM 306 CA PHE A 20 66.252 -7.006 -3.426 1.00 0.00 C ATOM 307 C PHE A 20 65.868 -6.381 -4.768 1.00 0.00 C ATOM 308 O PHE A 20 64.894 -5.662 -4.872 1.00 0.00 O ATOM 309 CB PHE A 20 67.429 -6.258 -2.801 1.00 0.00 C ATOM 310 CG PHE A 20 67.453 -6.515 -1.313 1.00 0.00 C ATOM 311 CD1 PHE A 20 66.268 -6.436 -0.572 1.00 0.00 C ATOM 312 CD2 PHE A 20 68.657 -6.834 -0.676 1.00 0.00 C ATOM 313 CE1 PHE A 20 66.287 -6.676 0.806 1.00 0.00 C ATOM 314 CE2 PHE A 20 68.677 -7.074 0.704 1.00 0.00 C ATOM 315 CZ PHE A 20 67.491 -6.995 1.445 1.00 0.00 C ATOM 0 H PHE A 20 67.745 -8.531 -3.484 1.00 0.00 H new ATOM 0 HA PHE A 20 65.366 -6.969 -2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 20 68.365 -6.587 -3.253 1.00 0.00 H new ATOM 0 HB3 PHE A 20 67.339 -5.189 -2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 20 65.339 -6.190 -1.064 1.00 0.00 H new ATOM 0 HD2 PHE A 20 69.571 -6.895 -1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 20 65.372 -6.615 1.377 1.00 0.00 H new ATOM 0 HE2 PHE A 20 69.606 -7.320 1.196 1.00 0.00 H new ATOM 0 HZ PHE A 20 67.505 -7.180 2.509 1.00 0.00 H new ATOM 325 N LYS A 21 66.623 -6.651 -5.796 1.00 0.00 N ATOM 326 CA LYS A 21 66.297 -6.074 -7.130 1.00 0.00 C ATOM 327 C LYS A 21 64.841 -6.383 -7.489 1.00 0.00 C ATOM 328 O LYS A 21 64.145 -5.568 -8.062 1.00 0.00 O ATOM 329 CB LYS A 21 67.251 -6.763 -8.106 1.00 0.00 C ATOM 330 CG LYS A 21 67.523 -5.837 -9.294 1.00 0.00 C ATOM 331 CD LYS A 21 69.017 -5.511 -9.354 1.00 0.00 C ATOM 332 CE LYS A 21 69.243 -4.321 -10.289 1.00 0.00 C ATOM 333 NZ LYS A 21 70.662 -3.924 -10.070 1.00 0.00 N ATOM 0 H LYS A 21 67.451 -7.246 -5.770 1.00 0.00 H new ATOM 0 HA LYS A 21 66.410 -4.990 -7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 21 68.186 -7.011 -7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 21 66.818 -7.701 -8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 21 67.206 -6.315 -10.221 1.00 0.00 H new ATOM 0 HG3 LYS A 21 66.943 -4.919 -9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 21 69.390 -5.279 -8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 21 69.575 -6.377 -9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 21 69.066 -4.597 -11.329 1.00 0.00 H new ATOM 0 HE3 LYS A 21 68.563 -3.501 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 70.913 -3.157 -10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 70.784 -3.596 -9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 71.282 -4.742 -10.241 1.00 0.00 H new ATOM 347 N ALA A 22 64.375 -7.554 -7.150 1.00 0.00 N ATOM 348 CA ALA A 22 62.963 -7.913 -7.467 1.00 0.00 C ATOM 349 C ALA A 22 62.004 -7.071 -6.618 1.00 0.00 C ATOM 350 O ALA A 22 60.929 -6.713 -7.054 1.00 0.00 O ATOM 351 CB ALA A 22 62.842 -9.395 -7.113 1.00 0.00 C ATOM 0 H ALA A 22 64.910 -8.277 -6.668 1.00 0.00 H new ATOM 0 HA ALA A 22 62.710 -7.725 -8.510 1.00 0.00 H new ATOM 0 HB1 ALA A 22 61.828 -9.737 -7.319 1.00 0.00 H new ATOM 0 HB2 ALA A 22 63.547 -9.971 -7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 22 63.065 -9.536 -6.055 1.00 0.00 H new ATOM 357 N ALA A 23 62.390 -6.748 -5.412 1.00 0.00 N ATOM 358 CA ALA A 23 61.502 -5.922 -4.541 1.00 0.00 C ATOM 359 C ALA A 23 61.831 -4.439 -4.722 1.00 0.00 C ATOM 360 O ALA A 23 61.119 -3.572 -4.255 1.00 0.00 O ATOM 361 CB ALA A 23 61.815 -6.364 -3.110 1.00 0.00 C ATOM 0 H ALA A 23 63.279 -7.019 -4.993 1.00 0.00 H new ATOM 0 HA ALA A 23 60.448 -6.054 -4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 23 61.198 -5.798 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 23 61.602 -7.428 -3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 23 62.868 -6.181 -2.895 1.00 0.00 H new ATOM 367 N PHE A 24 62.907 -4.145 -5.397 1.00 0.00 N ATOM 368 CA PHE A 24 63.290 -2.724 -5.611 1.00 0.00 C ATOM 369 C PHE A 24 62.468 -2.124 -6.756 1.00 0.00 C ATOM 370 O PHE A 24 61.791 -1.130 -6.593 1.00 0.00 O ATOM 371 CB PHE A 24 64.772 -2.777 -5.978 1.00 0.00 C ATOM 372 CG PHE A 24 65.336 -1.382 -5.969 1.00 0.00 C ATOM 373 CD1 PHE A 24 64.881 -0.443 -6.897 1.00 0.00 C ATOM 374 CD2 PHE A 24 66.311 -1.029 -5.032 1.00 0.00 C ATOM 375 CE1 PHE A 24 65.402 0.855 -6.889 1.00 0.00 C ATOM 376 CE2 PHE A 24 66.833 0.270 -5.022 1.00 0.00 C ATOM 377 CZ PHE A 24 66.378 1.212 -5.951 1.00 0.00 C ATOM 0 H PHE A 24 63.539 -4.831 -5.810 1.00 0.00 H new ATOM 0 HA PHE A 24 63.107 -2.102 -4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 24 65.312 -3.405 -5.269 1.00 0.00 H new ATOM 0 HB3 PHE A 24 64.899 -3.227 -6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 24 64.128 -0.719 -7.620 1.00 0.00 H new ATOM 0 HD2 PHE A 24 66.662 -1.758 -4.316 1.00 0.00 H new ATOM 0 HE1 PHE A 24 65.051 1.582 -7.607 1.00 0.00 H new ATOM 0 HE2 PHE A 24 67.586 0.545 -4.298 1.00 0.00 H new ATOM 0 HZ PHE A 24 66.780 2.215 -5.945 1.00 0.00 H new ATOM 387 N ASP A 25 62.522 -2.726 -7.912 1.00 0.00 N ATOM 388 CA ASP A 25 61.742 -2.198 -9.069 1.00 0.00 C ATOM 389 C ASP A 25 60.243 -2.201 -8.747 1.00 0.00 C ATOM 390 O ASP A 25 59.444 -1.626 -9.460 1.00 0.00 O ATOM 391 CB ASP A 25 62.046 -3.159 -10.219 1.00 0.00 C ATOM 392 CG ASP A 25 63.507 -3.004 -10.642 1.00 0.00 C ATOM 393 OD1 ASP A 25 63.774 -2.169 -11.490 1.00 0.00 O ATOM 394 OD2 ASP A 25 64.336 -3.724 -10.109 1.00 0.00 O ATOM 0 H ASP A 25 63.073 -3.562 -8.107 1.00 0.00 H new ATOM 0 HA ASP A 25 62.009 -1.170 -9.313 1.00 0.00 H new ATOM 0 HB2 ASP A 25 61.853 -4.186 -9.909 1.00 0.00 H new ATOM 0 HB3 ASP A 25 61.388 -2.952 -11.063 1.00 0.00 H new ATOM 399 N ILE A 26 59.851 -2.845 -7.681 1.00 0.00 N ATOM 400 CA ILE A 26 58.404 -2.878 -7.324 1.00 0.00 C ATOM 401 C ILE A 26 57.876 -1.452 -7.146 1.00 0.00 C ATOM 402 O ILE A 26 56.686 -1.210 -7.201 1.00 0.00 O ATOM 403 CB ILE A 26 58.336 -3.640 -6.001 1.00 0.00 C ATOM 404 CG1 ILE A 26 58.916 -5.044 -6.187 1.00 0.00 C ATOM 405 CG2 ILE A 26 56.878 -3.748 -5.549 1.00 0.00 C ATOM 406 CD1 ILE A 26 58.227 -5.732 -7.367 1.00 0.00 C ATOM 0 H ILE A 26 60.468 -3.348 -7.044 1.00 0.00 H new ATOM 0 HA ILE A 26 57.799 -3.352 -8.097 1.00 0.00 H new ATOM 0 HB ILE A 26 58.913 -3.106 -5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 26 59.990 -4.984 -6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 26 58.775 -5.630 -5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 26 56.829 -4.291 -4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 26 56.464 -2.749 -5.414 1.00 0.00 H new ATOM 0 HG23 ILE A 26 56.301 -4.281 -6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 26 58.641 -6.732 -7.498 1.00 0.00 H new ATOM 0 HD12 ILE A 26 57.157 -5.805 -7.171 1.00 0.00 H new ATOM 0 HD13 ILE A 26 58.391 -5.150 -8.274 1.00 0.00 H new ATOM 418 N PHE A 27 58.750 -0.507 -6.932 1.00 0.00 N ATOM 419 CA PHE A 27 58.293 0.900 -6.751 1.00 0.00 C ATOM 420 C PHE A 27 59.342 1.875 -7.293 1.00 0.00 C ATOM 421 O PHE A 27 59.923 2.649 -6.558 1.00 0.00 O ATOM 422 CB PHE A 27 58.131 1.073 -5.241 1.00 0.00 C ATOM 423 CG PHE A 27 56.894 0.340 -4.781 1.00 0.00 C ATOM 424 CD1 PHE A 27 55.632 0.745 -5.233 1.00 0.00 C ATOM 425 CD2 PHE A 27 57.009 -0.745 -3.904 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.486 0.064 -4.807 1.00 0.00 C ATOM 427 CE2 PHE A 27 55.862 -1.425 -3.478 1.00 0.00 C ATOM 428 CZ PHE A 27 54.601 -1.021 -3.930 1.00 0.00 C ATOM 0 H PHE A 27 59.759 -0.648 -6.875 1.00 0.00 H new ATOM 0 HA PHE A 27 57.366 1.103 -7.287 1.00 0.00 H new ATOM 0 HB2 PHE A 27 59.009 0.687 -4.724 1.00 0.00 H new ATOM 0 HB3 PHE A 27 58.054 2.131 -4.992 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.543 1.582 -5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 27 57.983 -1.057 -3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 27 53.512 0.376 -5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 27 55.950 -2.261 -2.800 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.716 -1.546 -3.602 1.00 0.00 H new ATOM 438 N VAL A 28 59.577 1.854 -8.576 1.00 0.00 N ATOM 439 CA VAL A 28 60.570 2.783 -9.171 1.00 0.00 C ATOM 440 C VAL A 28 59.834 3.826 -10.003 1.00 0.00 C ATOM 441 O VAL A 28 59.515 3.607 -11.155 1.00 0.00 O ATOM 442 CB VAL A 28 61.479 1.946 -10.076 1.00 0.00 C ATOM 443 CG1 VAL A 28 62.821 1.716 -9.387 1.00 0.00 C ATOM 444 CG2 VAL A 28 60.845 0.592 -10.412 1.00 0.00 C ATOM 0 H VAL A 28 59.119 1.228 -9.239 1.00 0.00 H new ATOM 0 HA VAL A 28 61.153 3.292 -8.403 1.00 0.00 H new ATOM 0 HB VAL A 28 61.623 2.497 -11.005 1.00 0.00 H new ATOM 0 HG11 VAL A 28 63.465 1.120 -10.034 1.00 0.00 H new ATOM 0 HG12 VAL A 28 63.296 2.676 -9.187 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.662 1.187 -8.447 1.00 0.00 H new ATOM 0 HG21 VAL A 28 61.518 0.025 -11.056 1.00 0.00 H new ATOM 0 HG22 VAL A 28 60.668 0.035 -9.492 1.00 0.00 H new ATOM 0 HG23 VAL A 28 59.898 0.752 -10.928 1.00 0.00 H new ATOM 454 N LEU A 29 59.550 4.949 -9.426 1.00 0.00 N ATOM 455 CA LEU A 29 58.819 6.002 -10.178 1.00 0.00 C ATOM 456 C LEU A 29 59.707 7.235 -10.378 1.00 0.00 C ATOM 457 O LEU A 29 59.794 7.777 -11.462 1.00 0.00 O ATOM 458 CB LEU A 29 57.608 6.336 -9.301 1.00 0.00 C ATOM 459 CG LEU A 29 57.039 7.702 -9.693 1.00 0.00 C ATOM 460 CD1 LEU A 29 55.574 7.786 -9.264 1.00 0.00 C ATOM 461 CD2 LEU A 29 57.836 8.805 -8.991 1.00 0.00 C ATOM 0 H LEU A 29 59.791 5.188 -8.464 1.00 0.00 H new ATOM 0 HA LEU A 29 58.524 5.672 -11.174 1.00 0.00 H new ATOM 0 HB2 LEU A 29 56.843 5.568 -9.415 1.00 0.00 H new ATOM 0 HB3 LEU A 29 57.900 6.342 -8.251 1.00 0.00 H new ATOM 0 HG LEU A 29 57.111 7.829 -10.773 1.00 0.00 H new ATOM 0 HD11 LEU A 29 55.168 8.759 -9.543 1.00 0.00 H new ATOM 0 HD12 LEU A 29 55.004 7.000 -9.759 1.00 0.00 H new ATOM 0 HD13 LEU A 29 55.503 7.660 -8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 29 57.432 9.779 -9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 29 57.762 8.676 -7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 29 58.882 8.746 -9.293 1.00 0.00 H new ATOM 473 N GLY A 30 60.361 7.686 -9.343 1.00 0.00 N ATOM 474 CA GLY A 30 61.236 8.888 -9.480 1.00 0.00 C ATOM 475 C GLY A 30 62.470 8.539 -10.316 1.00 0.00 C ATOM 476 O GLY A 30 63.592 8.712 -9.882 1.00 0.00 O ATOM 0 H GLY A 30 60.328 7.276 -8.410 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.683 9.700 -9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 30 61.541 9.241 -8.495 1.00 0.00 H new ATOM 480 N ALA A 31 62.272 8.050 -11.511 1.00 0.00 N ATOM 481 CA ALA A 31 63.429 7.687 -12.381 1.00 0.00 C ATOM 482 C ALA A 31 62.945 6.853 -13.570 1.00 0.00 C ATOM 483 O ALA A 31 61.761 6.731 -13.811 1.00 0.00 O ATOM 484 CB ALA A 31 64.357 6.859 -11.491 1.00 0.00 C ATOM 0 H ALA A 31 61.354 7.885 -11.924 1.00 0.00 H new ATOM 0 HA ALA A 31 63.934 8.565 -12.785 1.00 0.00 H new ATOM 0 HB1 ALA A 31 65.233 6.555 -12.063 1.00 0.00 H new ATOM 0 HB2 ALA A 31 64.672 7.458 -10.636 1.00 0.00 H new ATOM 0 HB3 ALA A 31 63.828 5.973 -11.138 1.00 0.00 H new ATOM 490 N GLU A 32 63.849 6.274 -14.309 1.00 0.00 N ATOM 491 CA GLU A 32 63.436 5.443 -15.475 1.00 0.00 C ATOM 492 C GLU A 32 63.327 3.975 -15.057 1.00 0.00 C ATOM 493 O GLU A 32 64.032 3.122 -15.559 1.00 0.00 O ATOM 494 CB GLU A 32 64.547 5.627 -16.510 1.00 0.00 C ATOM 495 CG GLU A 32 63.951 5.558 -17.918 1.00 0.00 C ATOM 496 CD GLU A 32 63.092 6.798 -18.170 1.00 0.00 C ATOM 497 OE1 GLU A 32 63.087 7.675 -17.321 1.00 0.00 O ATOM 498 OE2 GLU A 32 62.453 6.851 -19.208 1.00 0.00 O ATOM 0 H GLU A 32 64.855 6.340 -14.157 1.00 0.00 H new ATOM 0 HA GLU A 32 62.464 5.737 -15.870 1.00 0.00 H new ATOM 0 HB2 GLU A 32 65.043 6.586 -16.360 1.00 0.00 H new ATOM 0 HB3 GLU A 32 65.305 4.854 -16.386 1.00 0.00 H new ATOM 0 HG2 GLU A 32 64.748 5.498 -18.659 1.00 0.00 H new ATOM 0 HG3 GLU A 32 63.348 4.657 -18.025 1.00 0.00 H new ATOM 505 N ASP A 33 62.452 3.675 -14.136 1.00 0.00 N ATOM 506 CA ASP A 33 62.304 2.263 -13.680 1.00 0.00 C ATOM 507 C ASP A 33 63.628 1.758 -13.104 1.00 0.00 C ATOM 508 O ASP A 33 64.099 0.692 -13.446 1.00 0.00 O ATOM 509 CB ASP A 33 61.927 1.475 -14.935 1.00 0.00 C ATOM 510 CG ASP A 33 61.162 0.211 -14.536 1.00 0.00 C ATOM 511 OD1 ASP A 33 60.046 0.344 -14.061 1.00 0.00 O ATOM 512 OD2 ASP A 33 61.705 -0.867 -14.710 1.00 0.00 O ATOM 0 H ASP A 33 61.834 4.346 -13.680 1.00 0.00 H new ATOM 0 HA ASP A 33 61.554 2.157 -12.897 1.00 0.00 H new ATOM 0 HB2 ASP A 33 61.314 2.091 -15.593 1.00 0.00 H new ATOM 0 HB3 ASP A 33 62.825 1.208 -15.493 1.00 0.00 H new ATOM 517 N GLY A 34 64.234 2.520 -12.233 1.00 0.00 N ATOM 518 CA GLY A 34 65.529 2.086 -11.638 1.00 0.00 C ATOM 519 C GLY A 34 65.665 2.652 -10.223 1.00 0.00 C ATOM 520 O GLY A 34 66.162 1.996 -9.329 1.00 0.00 O ATOM 0 H GLY A 34 63.888 3.423 -11.909 1.00 0.00 H new ATOM 0 HA2 GLY A 34 65.580 0.998 -11.611 1.00 0.00 H new ATOM 0 HA3 GLY A 34 66.357 2.429 -12.258 1.00 0.00 H new ATOM 524 N CYS A 35 65.229 3.864 -10.009 1.00 0.00 N ATOM 525 CA CYS A 35 65.335 4.467 -8.647 1.00 0.00 C ATOM 526 C CYS A 35 63.945 4.601 -8.020 1.00 0.00 C ATOM 527 O CYS A 35 62.957 4.762 -8.708 1.00 0.00 O ATOM 528 CB CYS A 35 65.959 5.844 -8.869 1.00 0.00 C ATOM 529 SG CYS A 35 67.422 5.682 -9.923 1.00 0.00 S ATOM 0 H CYS A 35 64.804 4.463 -10.717 1.00 0.00 H new ATOM 0 HA CYS A 35 65.932 3.856 -7.970 1.00 0.00 H new ATOM 0 HB2 CYS A 35 65.235 6.512 -9.335 1.00 0.00 H new ATOM 0 HB3 CYS A 35 66.234 6.289 -7.913 1.00 0.00 H new ATOM 0 HG CYS A 35 67.951 6.854 -10.114 1.00 0.00 H new ATOM 535 N ILE A 36 63.859 4.532 -6.719 1.00 0.00 N ATOM 536 CA ILE A 36 62.529 4.651 -6.054 1.00 0.00 C ATOM 537 C ILE A 36 62.462 5.931 -5.218 1.00 0.00 C ATOM 538 O ILE A 36 63.458 6.586 -4.983 1.00 0.00 O ATOM 539 CB ILE A 36 62.426 3.418 -5.157 1.00 0.00 C ATOM 540 CG1 ILE A 36 63.438 3.534 -4.015 1.00 0.00 C ATOM 541 CG2 ILE A 36 62.727 2.164 -5.980 1.00 0.00 C ATOM 542 CD1 ILE A 36 63.259 2.360 -3.049 1.00 0.00 C ATOM 0 H ILE A 36 64.650 4.399 -6.089 1.00 0.00 H new ATOM 0 HA ILE A 36 61.712 4.703 -6.774 1.00 0.00 H new ATOM 0 HB ILE A 36 61.419 3.350 -4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.452 3.539 -4.414 1.00 0.00 H new ATOM 0 HG13 ILE A 36 63.299 4.477 -3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.654 1.284 -5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 36 62.008 2.082 -6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 36 63.734 2.232 -6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 36 63.981 2.444 -2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 36 62.249 2.376 -2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.420 1.423 -3.582 1.00 0.00 H new ATOM 554 N SER A 37 61.292 6.291 -4.767 1.00 0.00 N ATOM 555 CA SER A 37 61.156 7.527 -3.944 1.00 0.00 C ATOM 556 C SER A 37 61.304 7.187 -2.460 1.00 0.00 C ATOM 557 O SER A 37 60.708 6.252 -1.965 1.00 0.00 O ATOM 558 CB SER A 37 59.750 8.046 -4.241 1.00 0.00 C ATOM 559 OG SER A 37 59.836 9.362 -4.771 1.00 0.00 O ATOM 0 H SER A 37 60.423 5.783 -4.933 1.00 0.00 H new ATOM 0 HA SER A 37 61.920 8.269 -4.177 1.00 0.00 H new ATOM 0 HB2 SER A 37 59.250 7.388 -4.951 1.00 0.00 H new ATOM 0 HB3 SER A 37 59.151 8.047 -3.331 1.00 0.00 H new ATOM 0 HG SER A 37 58.935 9.696 -4.964 1.00 0.00 H new ATOM 565 N THR A 38 62.096 7.938 -1.744 1.00 0.00 N ATOM 566 CA THR A 38 62.281 7.653 -0.293 1.00 0.00 C ATOM 567 C THR A 38 60.927 7.392 0.373 1.00 0.00 C ATOM 568 O THR A 38 60.791 6.512 1.200 1.00 0.00 O ATOM 569 CB THR A 38 62.927 8.916 0.280 1.00 0.00 C ATOM 570 OG1 THR A 38 62.146 10.048 -0.077 1.00 0.00 O ATOM 571 CG2 THR A 38 64.341 9.070 -0.283 1.00 0.00 C ATOM 0 H THR A 38 62.622 8.736 -2.101 1.00 0.00 H new ATOM 0 HA THR A 38 62.894 6.768 -0.121 1.00 0.00 H new ATOM 0 HB THR A 38 62.979 8.837 1.366 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.557 10.858 0.291 1.00 0.00 H new ATOM 0 HG21 THR A 38 64.800 9.970 0.126 1.00 0.00 H new ATOM 0 HG22 THR A 38 64.939 8.201 -0.008 1.00 0.00 H new ATOM 0 HG23 THR A 38 64.294 9.149 -1.369 1.00 0.00 H new ATOM 579 N LYS A 39 59.924 8.148 0.019 1.00 0.00 N ATOM 580 CA LYS A 39 58.580 7.940 0.631 1.00 0.00 C ATOM 581 C LYS A 39 57.992 6.604 0.171 1.00 0.00 C ATOM 582 O LYS A 39 57.025 6.117 0.723 1.00 0.00 O ATOM 583 CB LYS A 39 57.729 9.103 0.122 1.00 0.00 C ATOM 584 CG LYS A 39 57.679 9.066 -1.407 1.00 0.00 C ATOM 585 CD LYS A 39 56.351 9.653 -1.891 1.00 0.00 C ATOM 586 CE LYS A 39 56.506 10.142 -3.332 1.00 0.00 C ATOM 587 NZ LYS A 39 55.361 11.070 -3.548 1.00 0.00 N ATOM 0 H LYS A 39 59.977 8.901 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 39 58.622 7.911 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 39 56.721 9.037 0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 39 58.149 10.050 0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 39 58.512 9.633 -1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 39 57.785 8.040 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 39 55.565 8.900 -1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 39 56.049 10.478 -1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 39 57.459 10.651 -3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 39 56.479 9.311 -4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 55.398 11.448 -4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 54.467 10.556 -3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 55.417 11.855 -2.868 1.00 0.00 H new ATOM 601 N GLU A 40 58.567 6.008 -0.838 1.00 0.00 N ATOM 602 CA GLU A 40 58.042 4.704 -1.335 1.00 0.00 C ATOM 603 C GLU A 40 58.890 3.549 -0.795 1.00 0.00 C ATOM 604 O GLU A 40 58.408 2.451 -0.600 1.00 0.00 O ATOM 605 CB GLU A 40 58.156 4.787 -2.858 1.00 0.00 C ATOM 606 CG GLU A 40 57.144 5.804 -3.392 1.00 0.00 C ATOM 607 CD GLU A 40 56.284 5.148 -4.473 1.00 0.00 C ATOM 608 OE1 GLU A 40 56.835 4.768 -5.492 1.00 0.00 O ATOM 609 OE2 GLU A 40 55.086 5.039 -4.263 1.00 0.00 O ATOM 0 H GLU A 40 59.378 6.368 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 40 57.017 4.522 -1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 40 59.167 5.080 -3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 40 57.972 3.808 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 40 56.513 6.166 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 40 57.664 6.670 -3.802 1.00 0.00 H new ATOM 616 N LEU A 41 60.149 3.789 -0.548 1.00 0.00 N ATOM 617 CA LEU A 41 61.026 2.703 -0.020 1.00 0.00 C ATOM 618 C LEU A 41 60.447 2.144 1.283 1.00 0.00 C ATOM 619 O LEU A 41 60.820 1.078 1.732 1.00 0.00 O ATOM 620 CB LEU A 41 62.374 3.378 0.237 1.00 0.00 C ATOM 621 CG LEU A 41 63.304 2.406 0.966 1.00 0.00 C ATOM 622 CD1 LEU A 41 64.750 2.675 0.549 1.00 0.00 C ATOM 623 CD2 LEU A 41 63.165 2.605 2.477 1.00 0.00 C ATOM 0 H LEU A 41 60.609 4.689 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 41 61.114 1.866 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 41 62.823 3.688 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 41 62.233 4.279 0.834 1.00 0.00 H new ATOM 0 HG LEU A 41 63.035 1.382 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 41 65.413 1.983 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 41 64.850 2.535 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 41 65.019 3.699 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 41 63.827 1.913 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 41 63.435 3.629 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 41 62.134 2.415 2.776 1.00 0.00 H new ATOM 635 N GLY A 42 59.539 2.856 1.894 1.00 0.00 N ATOM 636 CA GLY A 42 58.938 2.365 3.167 1.00 0.00 C ATOM 637 C GLY A 42 58.287 1.000 2.936 1.00 0.00 C ATOM 638 O GLY A 42 58.723 -0.003 3.464 1.00 0.00 O ATOM 0 H GLY A 42 59.188 3.756 1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 42 59.706 2.287 3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 42 58.195 3.077 3.528 1.00 0.00 H new ATOM 642 N LYS A 43 57.245 0.955 2.151 1.00 0.00 N ATOM 643 CA LYS A 43 56.568 -0.348 1.888 1.00 0.00 C ATOM 644 C LYS A 43 57.576 -1.373 1.361 1.00 0.00 C ATOM 645 O LYS A 43 57.349 -2.566 1.415 1.00 0.00 O ATOM 646 CB LYS A 43 55.512 -0.039 0.827 1.00 0.00 C ATOM 647 CG LYS A 43 56.172 0.666 -0.360 1.00 0.00 C ATOM 648 CD LYS A 43 55.550 2.051 -0.542 1.00 0.00 C ATOM 649 CE LYS A 43 54.296 1.937 -1.413 1.00 0.00 C ATOM 650 NZ LYS A 43 54.670 2.569 -2.708 1.00 0.00 N ATOM 0 H LYS A 43 56.834 1.762 1.681 1.00 0.00 H new ATOM 0 HA LYS A 43 56.127 -0.773 2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 43 55.033 -0.961 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 43 54.730 0.592 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 43 57.245 0.757 -0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 43 56.041 0.075 -1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 43 55.294 2.477 0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 43 56.269 2.726 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 43 54.004 0.896 -1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 43 53.449 2.447 -0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 53.896 3.185 -3.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 55.534 3.135 -2.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 54.842 1.829 -3.419 1.00 0.00 H new ATOM 664 N VAL A 44 58.688 -0.918 0.853 1.00 0.00 N ATOM 665 CA VAL A 44 59.711 -1.867 0.324 1.00 0.00 C ATOM 666 C VAL A 44 60.483 -2.504 1.485 1.00 0.00 C ATOM 667 O VAL A 44 60.887 -3.649 1.421 1.00 0.00 O ATOM 668 CB VAL A 44 60.630 -1.007 -0.551 1.00 0.00 C ATOM 669 CG1 VAL A 44 62.007 -1.665 -0.673 1.00 0.00 C ATOM 670 CG2 VAL A 44 60.014 -0.867 -1.945 1.00 0.00 C ATOM 0 H VAL A 44 58.934 0.069 0.781 1.00 0.00 H new ATOM 0 HA VAL A 44 59.273 -2.687 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 44 60.742 -0.025 -0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 44 62.652 -1.046 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 44 62.450 -1.768 0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 44 61.901 -2.650 -1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 44 60.665 -0.256 -2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 44 59.901 -1.854 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 44 59.037 -0.391 -1.865 1.00 0.00 H new ATOM 680 N MET A 45 60.690 -1.774 2.546 1.00 0.00 N ATOM 681 CA MET A 45 61.433 -2.341 3.707 1.00 0.00 C ATOM 682 C MET A 45 60.544 -3.326 4.472 1.00 0.00 C ATOM 683 O MET A 45 60.925 -4.452 4.725 1.00 0.00 O ATOM 684 CB MET A 45 61.776 -1.135 4.584 1.00 0.00 C ATOM 685 CG MET A 45 63.019 -0.438 4.028 1.00 0.00 C ATOM 686 SD MET A 45 64.466 -1.490 4.291 1.00 0.00 S ATOM 687 CE MET A 45 65.489 -0.259 5.133 1.00 0.00 C ATOM 0 H MET A 45 60.377 -0.810 2.660 1.00 0.00 H new ATOM 0 HA MET A 45 62.324 -2.889 3.401 1.00 0.00 H new ATOM 0 HB2 MET A 45 60.937 -0.440 4.609 1.00 0.00 H new ATOM 0 HB3 MET A 45 61.955 -1.457 5.610 1.00 0.00 H new ATOM 0 HG2 MET A 45 62.891 -0.236 2.965 1.00 0.00 H new ATOM 0 HG3 MET A 45 63.161 0.524 4.520 1.00 0.00 H new ATOM 0 HE1 MET A 45 66.451 -0.701 5.393 1.00 0.00 H new ATOM 0 HE2 MET A 45 65.649 0.594 4.474 1.00 0.00 H new ATOM 0 HE3 MET A 45 64.985 0.073 6.041 1.00 0.00 H new ATOM 697 N ARG A 46 59.364 -2.911 4.844 1.00 0.00 N ATOM 698 CA ARG A 46 58.453 -3.823 5.593 1.00 0.00 C ATOM 699 C ARG A 46 58.033 -5.001 4.708 1.00 0.00 C ATOM 700 O ARG A 46 57.487 -5.978 5.179 1.00 0.00 O ATOM 701 CB ARG A 46 57.240 -2.964 5.957 1.00 0.00 C ATOM 702 CG ARG A 46 56.522 -2.522 4.680 1.00 0.00 C ATOM 703 CD ARG A 46 55.328 -1.636 5.046 1.00 0.00 C ATOM 704 NE ARG A 46 54.333 -2.563 5.652 1.00 0.00 N ATOM 705 CZ ARG A 46 53.817 -2.294 6.821 1.00 0.00 C ATOM 706 NH1 ARG A 46 53.739 -1.059 7.233 1.00 0.00 N ATOM 707 NH2 ARG A 46 53.376 -3.263 7.577 1.00 0.00 N ATOM 0 H ARG A 46 58.991 -1.979 4.662 1.00 0.00 H new ATOM 0 HA ARG A 46 58.931 -4.247 6.476 1.00 0.00 H new ATOM 0 HB2 ARG A 46 56.558 -3.530 6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 46 57.558 -2.092 6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 46 57.209 -1.976 4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 46 56.183 -3.394 4.120 1.00 0.00 H new ATOM 0 HD2 ARG A 46 55.617 -0.854 5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 46 54.920 -1.140 4.166 1.00 0.00 H new ATOM 0 HE ARG A 46 54.054 -3.408 5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 46 54.081 -0.302 6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 46 53.336 -0.851 8.146 1.00 0.00 H new ATOM 0 HH21 ARG A 46 53.435 -4.229 7.254 1.00 0.00 H new ATOM 0 HH22 ARG A 46 52.973 -3.054 8.490 1.00 0.00 H new ATOM 721 N MET A 47 58.282 -4.915 3.430 1.00 0.00 N ATOM 722 CA MET A 47 57.894 -6.032 2.520 1.00 0.00 C ATOM 723 C MET A 47 58.748 -7.271 2.806 1.00 0.00 C ATOM 724 O MET A 47 58.282 -8.390 2.723 1.00 0.00 O ATOM 725 CB MET A 47 58.168 -5.508 1.110 1.00 0.00 C ATOM 726 CG MET A 47 56.842 -5.303 0.376 1.00 0.00 C ATOM 727 SD MET A 47 57.128 -4.339 -1.128 1.00 0.00 S ATOM 728 CE MET A 47 57.332 -5.736 -2.260 1.00 0.00 C ATOM 0 H MET A 47 58.736 -4.122 2.977 1.00 0.00 H new ATOM 0 HA MET A 47 56.853 -6.327 2.651 1.00 0.00 H new ATOM 0 HB2 MET A 47 58.717 -4.568 1.160 1.00 0.00 H new ATOM 0 HB3 MET A 47 58.793 -6.214 0.563 1.00 0.00 H new ATOM 0 HG2 MET A 47 56.401 -6.267 0.124 1.00 0.00 H new ATOM 0 HG3 MET A 47 56.132 -4.787 1.022 1.00 0.00 H new ATOM 0 HE1 MET A 47 58.061 -5.478 -3.028 1.00 0.00 H new ATOM 0 HE2 MET A 47 57.682 -6.606 -1.705 1.00 0.00 H new ATOM 0 HE3 MET A 47 56.376 -5.966 -2.730 1.00 0.00 H new ATOM 738 N LEU A 48 59.995 -7.079 3.141 1.00 0.00 N ATOM 739 CA LEU A 48 60.875 -8.249 3.429 1.00 0.00 C ATOM 740 C LEU A 48 60.778 -8.637 4.907 1.00 0.00 C ATOM 741 O LEU A 48 61.103 -9.742 5.291 1.00 0.00 O ATOM 742 CB LEU A 48 62.289 -7.774 3.090 1.00 0.00 C ATOM 743 CG LEU A 48 62.515 -7.878 1.581 1.00 0.00 C ATOM 744 CD1 LEU A 48 62.579 -6.475 0.976 1.00 0.00 C ATOM 745 CD2 LEU A 48 63.832 -8.609 1.313 1.00 0.00 C ATOM 0 H LEU A 48 60.442 -6.166 3.228 1.00 0.00 H new ATOM 0 HA LEU A 48 60.591 -9.130 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 48 62.426 -6.744 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 48 63.024 -8.379 3.621 1.00 0.00 H new ATOM 0 HG LEU A 48 61.692 -8.431 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 48 62.740 -6.550 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 48 61.641 -5.953 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 48 63.401 -5.921 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 48 63.994 -8.684 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 48 64.654 -8.055 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 48 63.787 -9.609 1.744 1.00 0.00 H new ATOM 757 N GLY A 49 60.331 -7.736 5.740 1.00 0.00 N ATOM 758 CA GLY A 49 60.214 -8.057 7.191 1.00 0.00 C ATOM 759 C GLY A 49 61.141 -7.143 7.993 1.00 0.00 C ATOM 760 O GLY A 49 61.906 -7.593 8.823 1.00 0.00 O ATOM 0 H GLY A 49 60.042 -6.793 5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 49 59.183 -7.927 7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 49 60.475 -9.101 7.365 1.00 0.00 H new ATOM 764 N GLN A 50 61.081 -5.862 7.752 1.00 0.00 N ATOM 765 CA GLN A 50 61.960 -4.920 8.501 1.00 0.00 C ATOM 766 C GLN A 50 61.115 -3.883 9.244 1.00 0.00 C ATOM 767 O GLN A 50 60.031 -3.535 8.822 1.00 0.00 O ATOM 768 CB GLN A 50 62.818 -4.245 7.431 1.00 0.00 C ATOM 769 CG GLN A 50 64.261 -4.743 7.544 1.00 0.00 C ATOM 770 CD GLN A 50 64.270 -6.272 7.584 1.00 0.00 C ATOM 771 OE1 GLN A 50 64.197 -6.865 8.643 1.00 0.00 O ATOM 772 NE2 GLN A 50 64.356 -6.941 6.467 1.00 0.00 N ATOM 0 H GLN A 50 60.461 -5.427 7.069 1.00 0.00 H new ATOM 0 HA GLN A 50 62.567 -5.429 9.250 1.00 0.00 H new ATOM 0 HB2 GLN A 50 62.422 -4.466 6.440 1.00 0.00 H new ATOM 0 HB3 GLN A 50 62.785 -3.162 7.553 1.00 0.00 H new ATOM 0 HG2 GLN A 50 64.847 -4.387 6.697 1.00 0.00 H new ATOM 0 HG3 GLN A 50 64.726 -4.342 8.445 1.00 0.00 H new ATOM 0 HE21 GLN A 50 64.417 -6.444 5.578 1.00 0.00 H new ATOM 0 HE22 GLN A 50 64.362 -7.961 6.483 1.00 0.00 H new ATOM 781 N ASN A 51 61.603 -3.388 10.347 1.00 0.00 N ATOM 782 CA ASN A 51 60.827 -2.374 11.116 1.00 0.00 C ATOM 783 C ASN A 51 61.722 -1.185 11.478 1.00 0.00 C ATOM 784 O ASN A 51 61.955 -0.913 12.639 1.00 0.00 O ATOM 785 CB ASN A 51 60.367 -3.104 12.378 1.00 0.00 C ATOM 786 CG ASN A 51 61.576 -3.393 13.271 1.00 0.00 C ATOM 787 OD1 ASN A 51 62.629 -3.757 12.788 1.00 0.00 O ATOM 788 ND2 ASN A 51 61.467 -3.244 14.563 1.00 0.00 N ATOM 0 H ASN A 51 62.505 -3.641 10.750 1.00 0.00 H new ATOM 0 HA ASN A 51 59.988 -1.976 10.546 1.00 0.00 H new ATOM 0 HB2 ASN A 51 59.640 -2.497 12.917 1.00 0.00 H new ATOM 0 HB3 ASN A 51 59.868 -4.036 12.111 1.00 0.00 H new ATOM 0 HD21 ASN A 51 62.267 -3.433 15.167 1.00 0.00 H new ATOM 0 HD22 ASN A 51 60.582 -2.938 14.968 1.00 0.00 H new ATOM 795 N PRO A 52 62.190 -0.514 10.461 1.00 0.00 N ATOM 796 CA PRO A 52 63.069 0.665 10.663 1.00 0.00 C ATOM 797 C PRO A 52 62.257 1.848 11.201 1.00 0.00 C ATOM 798 O PRO A 52 61.046 1.874 11.109 1.00 0.00 O ATOM 799 CB PRO A 52 63.601 0.959 9.263 1.00 0.00 C ATOM 800 CG PRO A 52 62.579 0.384 8.333 1.00 0.00 C ATOM 801 CD PRO A 52 61.948 -0.786 9.041 1.00 0.00 C ATOM 0 HA PRO A 52 63.865 0.490 11.386 1.00 0.00 H new ATOM 0 HB2 PRO A 52 63.722 2.030 9.103 1.00 0.00 H new ATOM 0 HB3 PRO A 52 64.578 0.502 9.108 1.00 0.00 H new ATOM 0 HG2 PRO A 52 61.827 1.131 8.077 1.00 0.00 H new ATOM 0 HG3 PRO A 52 63.043 0.065 7.400 1.00 0.00 H new ATOM 0 HD2 PRO A 52 60.882 -0.856 8.824 1.00 0.00 H new ATOM 0 HD3 PRO A 52 62.399 -1.729 8.733 1.00 0.00 H new ATOM 809 N THR A 53 62.914 2.828 11.762 1.00 0.00 N ATOM 810 CA THR A 53 62.180 4.003 12.302 1.00 0.00 C ATOM 811 C THR A 53 61.839 4.975 11.169 1.00 0.00 C ATOM 812 O THR A 53 62.646 5.218 10.294 1.00 0.00 O ATOM 813 CB THR A 53 63.154 4.638 13.295 1.00 0.00 C ATOM 814 OG1 THR A 53 63.161 3.882 14.498 1.00 0.00 O ATOM 815 CG2 THR A 53 62.726 6.072 13.595 1.00 0.00 C ATOM 0 H THR A 53 63.928 2.863 11.868 1.00 0.00 H new ATOM 0 HA THR A 53 61.235 3.733 12.774 1.00 0.00 H new ATOM 0 HB THR A 53 64.155 4.647 12.863 1.00 0.00 H new ATOM 0 HG1 THR A 53 63.907 4.173 15.063 1.00 0.00 H new ATOM 0 HG21 THR A 53 63.424 6.519 14.303 1.00 0.00 H new ATOM 0 HG22 THR A 53 62.724 6.652 12.672 1.00 0.00 H new ATOM 0 HG23 THR A 53 61.724 6.070 14.025 1.00 0.00 H new ATOM 823 N PRO A 54 60.646 5.497 11.226 1.00 0.00 N ATOM 824 CA PRO A 54 60.179 6.452 10.192 1.00 0.00 C ATOM 825 C PRO A 54 60.884 7.801 10.352 1.00 0.00 C ATOM 826 O PRO A 54 61.349 8.387 9.395 1.00 0.00 O ATOM 827 CB PRO A 54 58.684 6.581 10.472 1.00 0.00 C ATOM 828 CG PRO A 54 58.530 6.227 11.917 1.00 0.00 C ATOM 829 CD PRO A 54 59.627 5.250 12.252 1.00 0.00 C ATOM 0 HA PRO A 54 60.389 6.120 9.175 1.00 0.00 H new ATOM 0 HB2 PRO A 54 58.331 7.593 10.274 1.00 0.00 H new ATOM 0 HB3 PRO A 54 58.104 5.911 9.837 1.00 0.00 H new ATOM 0 HG2 PRO A 54 58.603 7.117 12.542 1.00 0.00 H new ATOM 0 HG3 PRO A 54 57.551 5.786 12.103 1.00 0.00 H new ATOM 0 HD2 PRO A 54 60.020 5.419 13.254 1.00 0.00 H new ATOM 0 HD3 PRO A 54 59.269 4.221 12.220 1.00 0.00 H new ATOM 837 N GLU A 55 60.968 8.298 11.555 1.00 0.00 N ATOM 838 CA GLU A 55 61.644 9.608 11.775 1.00 0.00 C ATOM 839 C GLU A 55 63.124 9.508 11.398 1.00 0.00 C ATOM 840 O GLU A 55 63.775 10.498 11.131 1.00 0.00 O ATOM 841 CB GLU A 55 61.488 9.889 13.270 1.00 0.00 C ATOM 842 CG GLU A 55 60.211 10.698 13.508 1.00 0.00 C ATOM 843 CD GLU A 55 59.948 10.806 15.011 1.00 0.00 C ATOM 844 OE1 GLU A 55 60.581 11.633 15.645 1.00 0.00 O ATOM 845 OE2 GLU A 55 59.117 10.061 15.502 1.00 0.00 O ATOM 0 H GLU A 55 60.598 7.854 12.395 1.00 0.00 H new ATOM 0 HA GLU A 55 61.214 10.403 11.165 1.00 0.00 H new ATOM 0 HB2 GLU A 55 61.446 8.951 13.824 1.00 0.00 H new ATOM 0 HB3 GLU A 55 62.354 10.439 13.640 1.00 0.00 H new ATOM 0 HG2 GLU A 55 60.312 11.692 13.073 1.00 0.00 H new ATOM 0 HG3 GLU A 55 59.366 10.218 13.014 1.00 0.00 H new ATOM 852 N GLU A 56 63.660 8.319 11.375 1.00 0.00 N ATOM 853 CA GLU A 56 65.097 8.157 11.014 1.00 0.00 C ATOM 854 C GLU A 56 65.243 7.954 9.505 1.00 0.00 C ATOM 855 O GLU A 56 66.216 8.364 8.904 1.00 0.00 O ATOM 856 CB GLU A 56 65.558 6.911 11.772 1.00 0.00 C ATOM 857 CG GLU A 56 65.975 7.304 13.190 1.00 0.00 C ATOM 858 CD GLU A 56 66.186 6.042 14.028 1.00 0.00 C ATOM 859 OE1 GLU A 56 67.300 5.543 14.043 1.00 0.00 O ATOM 860 OE2 GLU A 56 65.231 5.596 14.643 1.00 0.00 O ATOM 0 H GLU A 56 63.166 7.453 11.590 1.00 0.00 H new ATOM 0 HA GLU A 56 65.690 9.034 11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 56 64.754 6.176 11.808 1.00 0.00 H new ATOM 0 HB3 GLU A 56 66.394 6.444 11.252 1.00 0.00 H new ATOM 0 HG2 GLU A 56 66.893 7.892 13.161 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.209 7.932 13.645 1.00 0.00 H new ATOM 867 N LEU A 57 64.281 7.325 8.887 1.00 0.00 N ATOM 868 CA LEU A 57 64.362 7.095 7.416 1.00 0.00 C ATOM 869 C LEU A 57 64.857 8.361 6.710 1.00 0.00 C ATOM 870 O LEU A 57 65.869 8.354 6.040 1.00 0.00 O ATOM 871 CB LEU A 57 62.931 6.766 6.988 1.00 0.00 C ATOM 872 CG LEU A 57 62.862 5.314 6.513 1.00 0.00 C ATOM 873 CD1 LEU A 57 61.813 4.557 7.331 1.00 0.00 C ATOM 874 CD2 LEU A 57 62.473 5.281 5.034 1.00 0.00 C ATOM 0 H LEU A 57 63.442 6.960 9.337 1.00 0.00 H new ATOM 0 HA LEU A 57 65.058 6.296 7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 57 62.246 6.920 7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 57 62.616 7.437 6.189 1.00 0.00 H new ATOM 0 HG LEU A 57 63.836 4.842 6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 57 61.764 3.522 6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 57 62.087 4.581 8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 57 60.839 5.028 7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 57 62.423 4.247 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 57 61.499 5.753 4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 57 63.219 5.820 4.450 1.00 0.00 H new ATOM 886 N GLN A 58 64.150 9.448 6.859 1.00 0.00 N ATOM 887 CA GLN A 58 64.583 10.713 6.199 1.00 0.00 C ATOM 888 C GLN A 58 66.009 11.069 6.625 1.00 0.00 C ATOM 889 O GLN A 58 66.845 11.407 5.811 1.00 0.00 O ATOM 890 CB GLN A 58 63.594 11.772 6.687 1.00 0.00 C ATOM 891 CG GLN A 58 62.222 11.517 6.061 1.00 0.00 C ATOM 892 CD GLN A 58 61.948 12.569 4.984 1.00 0.00 C ATOM 893 OE1 GLN A 58 60.873 13.133 4.930 1.00 0.00 O ATOM 894 NE2 GLN A 58 62.880 12.858 4.120 1.00 0.00 N ATOM 0 H GLN A 58 63.293 9.515 7.408 1.00 0.00 H new ATOM 0 HA GLN A 58 64.589 10.633 5.112 1.00 0.00 H new ATOM 0 HB2 GLN A 58 63.520 11.742 7.774 1.00 0.00 H new ATOM 0 HB3 GLN A 58 63.949 12.767 6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 58 62.189 10.518 5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 58 61.448 11.556 6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 58 63.782 12.384 4.166 1.00 0.00 H new ATOM 0 HE22 GLN A 58 62.707 13.558 3.398 1.00 0.00 H new ATOM 903 N GLU A 59 66.295 10.992 7.896 1.00 0.00 N ATOM 904 CA GLU A 59 67.669 11.323 8.372 1.00 0.00 C ATOM 905 C GLU A 59 68.710 10.595 7.517 1.00 0.00 C ATOM 906 O GLU A 59 69.614 11.199 6.973 1.00 0.00 O ATOM 907 CB GLU A 59 67.718 10.828 9.817 1.00 0.00 C ATOM 908 CG GLU A 59 69.106 11.098 10.403 1.00 0.00 C ATOM 909 CD GLU A 59 68.998 12.156 11.502 1.00 0.00 C ATOM 910 OE1 GLU A 59 68.414 13.196 11.241 1.00 0.00 O ATOM 911 OE2 GLU A 59 69.501 11.911 12.587 1.00 0.00 O ATOM 0 H GLU A 59 65.638 10.715 8.625 1.00 0.00 H new ATOM 0 HA GLU A 59 67.887 12.389 8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 59 66.956 11.333 10.411 1.00 0.00 H new ATOM 0 HB3 GLU A 59 67.497 9.761 9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 59 69.526 10.178 10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 59 69.783 11.439 9.620 1.00 0.00 H new ATOM 918 N MET A 60 68.589 9.302 7.393 1.00 0.00 N ATOM 919 CA MET A 60 69.570 8.537 6.571 1.00 0.00 C ATOM 920 C MET A 60 69.633 9.112 5.154 1.00 0.00 C ATOM 921 O MET A 60 70.690 9.439 4.653 1.00 0.00 O ATOM 922 CB MET A 60 69.034 7.104 6.546 1.00 0.00 C ATOM 923 CG MET A 60 69.387 6.405 7.860 1.00 0.00 C ATOM 924 SD MET A 60 67.869 5.873 8.688 1.00 0.00 S ATOM 925 CE MET A 60 67.796 4.210 7.977 1.00 0.00 C ATOM 0 H MET A 60 67.854 8.742 7.825 1.00 0.00 H new ATOM 0 HA MET A 60 70.580 8.587 6.979 1.00 0.00 H new ATOM 0 HB2 MET A 60 67.953 7.111 6.404 1.00 0.00 H new ATOM 0 HB3 MET A 60 69.462 6.559 5.705 1.00 0.00 H new ATOM 0 HG2 MET A 60 70.028 5.545 7.666 1.00 0.00 H new ATOM 0 HG3 MET A 60 69.948 7.082 8.505 1.00 0.00 H new ATOM 0 HE1 MET A 60 66.918 3.689 8.359 1.00 0.00 H new ATOM 0 HE2 MET A 60 67.733 4.281 6.891 1.00 0.00 H new ATOM 0 HE3 MET A 60 68.694 3.657 8.253 1.00 0.00 H new ATOM 935 N ILE A 61 68.509 9.241 4.504 1.00 0.00 N ATOM 936 CA ILE A 61 68.510 9.799 3.121 1.00 0.00 C ATOM 937 C ILE A 61 69.142 11.193 3.119 1.00 0.00 C ATOM 938 O ILE A 61 69.832 11.571 2.192 1.00 0.00 O ATOM 939 CB ILE A 61 67.036 9.878 2.723 1.00 0.00 C ATOM 940 CG1 ILE A 61 66.500 8.468 2.470 1.00 0.00 C ATOM 941 CG2 ILE A 61 66.898 10.710 1.447 1.00 0.00 C ATOM 942 CD1 ILE A 61 65.004 8.425 2.788 1.00 0.00 C ATOM 0 H ILE A 61 67.592 8.985 4.869 1.00 0.00 H new ATOM 0 HA ILE A 61 69.085 9.186 2.427 1.00 0.00 H new ATOM 0 HB ILE A 61 66.467 10.345 3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 61 66.670 8.184 1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 61 67.035 7.748 3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.848 10.767 1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.281 11.715 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.467 10.242 0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.622 7.420 2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.846 8.691 3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.476 9.134 2.150 1.00 0.00 H new ATOM 954 N ASP A 62 68.916 11.958 4.152 1.00 0.00 N ATOM 955 CA ASP A 62 69.507 13.326 4.210 1.00 0.00 C ATOM 956 C ASP A 62 71.019 13.237 4.430 1.00 0.00 C ATOM 957 O ASP A 62 71.757 14.147 4.113 1.00 0.00 O ATOM 958 CB ASP A 62 68.829 14.000 5.405 1.00 0.00 C ATOM 959 CG ASP A 62 67.311 13.939 5.235 1.00 0.00 C ATOM 960 OD1 ASP A 62 66.869 13.551 4.166 1.00 0.00 O ATOM 961 OD2 ASP A 62 66.615 14.280 6.177 1.00 0.00 O ATOM 0 H ASP A 62 68.348 11.696 4.958 1.00 0.00 H new ATOM 0 HA ASP A 62 69.352 13.884 3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 62 69.122 13.503 6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 62 69.155 15.037 5.483 1.00 0.00 H new ATOM 966 N GLU A 63 71.484 12.144 4.971 1.00 0.00 N ATOM 967 CA GLU A 63 72.948 11.993 5.211 1.00 0.00 C ATOM 968 C GLU A 63 73.607 11.282 4.025 1.00 0.00 C ATOM 969 O GLU A 63 74.689 11.632 3.601 1.00 0.00 O ATOM 970 CB GLU A 63 73.057 11.142 6.476 1.00 0.00 C ATOM 971 CG GLU A 63 72.592 11.958 7.684 1.00 0.00 C ATOM 972 CD GLU A 63 73.072 11.283 8.972 1.00 0.00 C ATOM 973 OE1 GLU A 63 72.574 10.213 9.278 1.00 0.00 O ATOM 974 OE2 GLU A 63 73.930 11.850 9.630 1.00 0.00 O ATOM 0 H GLU A 63 70.913 11.349 5.257 1.00 0.00 H new ATOM 0 HA GLU A 63 73.450 12.954 5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 63 72.449 10.243 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 63 74.087 10.816 6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 63 72.986 12.973 7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 63 71.505 12.037 7.686 1.00 0.00 H new ATOM 981 N VAL A 64 72.958 10.285 3.488 1.00 0.00 N ATOM 982 CA VAL A 64 73.544 9.551 2.330 1.00 0.00 C ATOM 983 C VAL A 64 73.192 10.264 1.022 1.00 0.00 C ATOM 984 O VAL A 64 74.011 10.401 0.136 1.00 0.00 O ATOM 985 CB VAL A 64 72.900 8.163 2.377 1.00 0.00 C ATOM 986 CG1 VAL A 64 71.457 8.245 1.874 1.00 0.00 C ATOM 987 CG2 VAL A 64 73.695 7.203 1.490 1.00 0.00 C ATOM 0 H VAL A 64 72.048 9.947 3.801 1.00 0.00 H new ATOM 0 HA VAL A 64 74.632 9.497 2.379 1.00 0.00 H new ATOM 0 HB VAL A 64 72.903 7.799 3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 64 71.003 7.255 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.889 8.927 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 64 71.450 8.611 0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 64 73.237 6.214 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.693 7.570 0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 64 74.722 7.140 1.851 1.00 0.00 H new ATOM 997 N ASP A 65 71.975 10.715 0.897 1.00 0.00 N ATOM 998 CA ASP A 65 71.561 11.417 -0.352 1.00 0.00 C ATOM 999 C ASP A 65 71.570 12.933 -0.135 1.00 0.00 C ATOM 1000 O ASP A 65 70.541 13.578 -0.158 1.00 0.00 O ATOM 1001 CB ASP A 65 70.141 10.924 -0.631 1.00 0.00 C ATOM 1002 CG ASP A 65 70.148 10.014 -1.859 1.00 0.00 C ATOM 1003 OD1 ASP A 65 70.728 10.405 -2.859 1.00 0.00 O ATOM 1004 OD2 ASP A 65 69.572 8.941 -1.781 1.00 0.00 O ATOM 0 H ASP A 65 71.247 10.628 1.607 1.00 0.00 H new ATOM 0 HA ASP A 65 72.235 11.212 -1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 65 69.756 10.383 0.233 1.00 0.00 H new ATOM 0 HB3 ASP A 65 69.477 11.772 -0.798 1.00 0.00 H new ATOM 1009 N GLU A 66 72.723 13.505 0.076 1.00 0.00 N ATOM 1010 CA GLU A 66 72.794 14.979 0.294 1.00 0.00 C ATOM 1011 C GLU A 66 72.658 15.720 -1.038 1.00 0.00 C ATOM 1012 O GLU A 66 72.714 16.932 -1.094 1.00 0.00 O ATOM 1013 CB GLU A 66 74.173 15.223 0.907 1.00 0.00 C ATOM 1014 CG GLU A 66 74.040 15.352 2.426 1.00 0.00 C ATOM 1015 CD GLU A 66 74.305 16.801 2.840 1.00 0.00 C ATOM 1016 OE1 GLU A 66 73.675 17.682 2.279 1.00 0.00 O ATOM 1017 OE2 GLU A 66 75.134 17.004 3.711 1.00 0.00 O ATOM 0 H GLU A 66 73.618 13.017 0.107 1.00 0.00 H new ATOM 0 HA GLU A 66 71.992 15.340 0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 66 74.844 14.401 0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 66 74.612 16.130 0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 66 73.041 15.049 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 66 74.746 14.686 2.922 1.00 0.00 H new ATOM 1024 N ASP A 67 72.480 15.001 -2.112 1.00 0.00 N ATOM 1025 CA ASP A 67 72.341 15.666 -3.440 1.00 0.00 C ATOM 1026 C ASP A 67 71.015 16.428 -3.515 1.00 0.00 C ATOM 1027 O ASP A 67 70.962 17.555 -3.962 1.00 0.00 O ATOM 1028 CB ASP A 67 72.363 14.525 -4.459 1.00 0.00 C ATOM 1029 CG ASP A 67 73.254 14.912 -5.640 1.00 0.00 C ATOM 1030 OD1 ASP A 67 73.585 16.081 -5.749 1.00 0.00 O ATOM 1031 OD2 ASP A 67 73.589 14.033 -6.417 1.00 0.00 O ATOM 0 H ASP A 67 72.425 13.983 -2.128 1.00 0.00 H new ATOM 0 HA ASP A 67 73.134 16.391 -3.623 1.00 0.00 H new ATOM 0 HB2 ASP A 67 72.736 13.613 -3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 67 71.352 14.314 -4.807 1.00 0.00 H new ATOM 1036 N GLY A 68 69.946 15.821 -3.078 1.00 0.00 N ATOM 1037 CA GLY A 68 68.626 16.511 -3.126 1.00 0.00 C ATOM 1038 C GLY A 68 67.709 15.795 -4.119 1.00 0.00 C ATOM 1039 O GLY A 68 66.665 16.295 -4.486 1.00 0.00 O ATOM 0 H GLY A 68 69.929 14.878 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 68 68.171 16.518 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 68 68.759 17.551 -3.423 1.00 0.00 H new ATOM 1043 N SER A 69 68.091 14.626 -4.555 1.00 0.00 N ATOM 1044 CA SER A 69 67.240 13.878 -5.525 1.00 0.00 C ATOM 1045 C SER A 69 66.029 13.273 -4.811 1.00 0.00 C ATOM 1046 O SER A 69 65.019 12.980 -5.419 1.00 0.00 O ATOM 1047 CB SER A 69 68.144 12.776 -6.075 1.00 0.00 C ATOM 1048 OG SER A 69 69.431 13.317 -6.348 1.00 0.00 O ATOM 0 H SER A 69 68.954 14.156 -4.282 1.00 0.00 H new ATOM 0 HA SER A 69 66.852 14.521 -6.316 1.00 0.00 H new ATOM 0 HB2 SER A 69 68.224 11.962 -5.354 1.00 0.00 H new ATOM 0 HB3 SER A 69 67.713 12.356 -6.984 1.00 0.00 H new ATOM 0 HG SER A 69 70.014 12.612 -6.699 1.00 0.00 H new ATOM 1054 N GLY A 70 66.121 13.084 -3.522 1.00 0.00 N ATOM 1055 CA GLY A 70 64.976 12.497 -2.771 1.00 0.00 C ATOM 1056 C GLY A 70 64.621 11.132 -3.363 1.00 0.00 C ATOM 1057 O GLY A 70 63.487 10.700 -3.317 1.00 0.00 O ATOM 0 H GLY A 70 66.940 13.311 -2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 70 65.235 12.392 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 70 64.114 13.163 -2.823 1.00 0.00 H new ATOM 1061 N THR A 71 65.584 10.450 -3.922 1.00 0.00 N ATOM 1062 CA THR A 71 65.301 9.113 -4.518 1.00 0.00 C ATOM 1063 C THR A 71 66.520 8.200 -4.363 1.00 0.00 C ATOM 1064 O THR A 71 67.649 8.624 -4.511 1.00 0.00 O ATOM 1065 CB THR A 71 65.019 9.390 -5.994 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.063 10.190 -6.533 1.00 0.00 O ATOM 1067 CG2 THR A 71 63.685 10.126 -6.131 1.00 0.00 C ATOM 0 H THR A 71 66.553 10.760 -3.992 1.00 0.00 H new ATOM 0 HA THR A 71 64.464 8.610 -4.033 1.00 0.00 H new ATOM 0 HB THR A 71 64.968 8.447 -6.538 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.850 11.138 -6.401 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.485 10.323 -7.184 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.886 9.510 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.733 11.070 -5.588 1.00 0.00 H new ATOM 1075 N VAL A 72 66.303 6.948 -4.065 1.00 0.00 N ATOM 1076 CA VAL A 72 67.453 6.012 -3.899 1.00 0.00 C ATOM 1077 C VAL A 72 67.471 4.966 -5.013 1.00 0.00 C ATOM 1078 O VAL A 72 66.447 4.465 -5.431 1.00 0.00 O ATOM 1079 CB VAL A 72 67.246 5.326 -2.545 1.00 0.00 C ATOM 1080 CG1 VAL A 72 67.772 6.231 -1.438 1.00 0.00 C ATOM 1081 CG2 VAL A 72 65.757 5.046 -2.312 1.00 0.00 C ATOM 0 H VAL A 72 65.381 6.533 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 72 68.401 6.548 -3.945 1.00 0.00 H new ATOM 0 HB VAL A 72 67.787 4.380 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 72 67.627 5.747 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 72 68.835 6.417 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 72 67.232 7.177 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 72 65.625 4.558 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 72 65.204 5.985 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 72 65.381 4.395 -3.101 1.00 0.00 H new ATOM 1091 N ASP A 73 68.639 4.620 -5.477 1.00 0.00 N ATOM 1092 CA ASP A 73 68.745 3.590 -6.546 1.00 0.00 C ATOM 1093 C ASP A 73 69.336 2.314 -5.950 1.00 0.00 C ATOM 1094 O ASP A 73 69.622 2.248 -4.770 1.00 0.00 O ATOM 1095 CB ASP A 73 69.695 4.187 -7.585 1.00 0.00 C ATOM 1096 CG ASP A 73 71.014 4.567 -6.914 1.00 0.00 C ATOM 1097 OD1 ASP A 73 71.385 3.901 -5.961 1.00 0.00 O ATOM 1098 OD2 ASP A 73 71.633 5.519 -7.363 1.00 0.00 O ATOM 0 H ASP A 73 69.528 5.008 -5.160 1.00 0.00 H new ATOM 0 HA ASP A 73 67.781 3.336 -6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 73 69.876 3.467 -8.384 1.00 0.00 H new ATOM 0 HB3 ASP A 73 69.242 5.066 -8.044 1.00 0.00 H new ATOM 1103 N PHE A 74 69.527 1.299 -6.742 1.00 0.00 N ATOM 1104 CA PHE A 74 70.105 0.042 -6.193 1.00 0.00 C ATOM 1105 C PHE A 74 71.479 0.323 -5.579 1.00 0.00 C ATOM 1106 O PHE A 74 72.015 -0.478 -4.840 1.00 0.00 O ATOM 1107 CB PHE A 74 70.228 -0.901 -7.391 1.00 0.00 C ATOM 1108 CG PHE A 74 70.198 -2.331 -6.908 1.00 0.00 C ATOM 1109 CD1 PHE A 74 68.977 -2.938 -6.593 1.00 0.00 C ATOM 1110 CD2 PHE A 74 71.392 -3.049 -6.775 1.00 0.00 C ATOM 1111 CE1 PHE A 74 68.950 -4.264 -6.144 1.00 0.00 C ATOM 1112 CE2 PHE A 74 71.365 -4.375 -6.326 1.00 0.00 C ATOM 1113 CZ PHE A 74 70.144 -4.982 -6.011 1.00 0.00 C ATOM 0 H PHE A 74 69.310 1.284 -7.739 1.00 0.00 H new ATOM 0 HA PHE A 74 69.487 -0.389 -5.406 1.00 0.00 H new ATOM 0 HB2 PHE A 74 69.412 -0.725 -8.092 1.00 0.00 H new ATOM 0 HB3 PHE A 74 71.157 -0.706 -7.928 1.00 0.00 H new ATOM 0 HD1 PHE A 74 68.056 -2.384 -6.696 1.00 0.00 H new ATOM 0 HD2 PHE A 74 72.334 -2.580 -7.019 1.00 0.00 H new ATOM 0 HE1 PHE A 74 68.008 -4.733 -5.900 1.00 0.00 H new ATOM 0 HE2 PHE A 74 72.286 -4.929 -6.223 1.00 0.00 H new ATOM 0 HZ PHE A 74 70.123 -6.005 -5.665 1.00 0.00 H new ATOM 1123 N ASP A 75 72.051 1.458 -5.876 1.00 0.00 N ATOM 1124 CA ASP A 75 73.387 1.792 -5.306 1.00 0.00 C ATOM 1125 C ASP A 75 73.223 2.419 -3.918 1.00 0.00 C ATOM 1126 O ASP A 75 74.016 2.191 -3.026 1.00 0.00 O ATOM 1127 CB ASP A 75 73.997 2.798 -6.283 1.00 0.00 C ATOM 1128 CG ASP A 75 75.503 2.902 -6.035 1.00 0.00 C ATOM 1129 OD1 ASP A 75 76.232 2.091 -6.580 1.00 0.00 O ATOM 1130 OD2 ASP A 75 75.903 3.794 -5.304 1.00 0.00 O ATOM 0 H ASP A 75 71.651 2.168 -6.489 1.00 0.00 H new ATOM 0 HA ASP A 75 74.018 0.912 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 75 73.808 2.485 -7.310 1.00 0.00 H new ATOM 0 HB3 ASP A 75 73.529 3.774 -6.156 1.00 0.00 H new ATOM 1135 N GLU A 76 72.197 3.206 -3.726 1.00 0.00 N ATOM 1136 CA GLU A 76 71.985 3.842 -2.395 1.00 0.00 C ATOM 1137 C GLU A 76 71.187 2.902 -1.488 1.00 0.00 C ATOM 1138 O GLU A 76 71.599 2.586 -0.390 1.00 0.00 O ATOM 1139 CB GLU A 76 71.189 5.114 -2.686 1.00 0.00 C ATOM 1140 CG GLU A 76 72.094 6.137 -3.375 1.00 0.00 C ATOM 1141 CD GLU A 76 72.625 7.128 -2.338 1.00 0.00 C ATOM 1142 OE1 GLU A 76 71.865 7.504 -1.462 1.00 0.00 O ATOM 1143 OE2 GLU A 76 73.785 7.496 -2.439 1.00 0.00 O ATOM 0 H GLU A 76 71.498 3.435 -4.433 1.00 0.00 H new ATOM 0 HA GLU A 76 72.923 4.059 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 76 70.334 4.883 -3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 76 70.794 5.529 -1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 76 72.924 5.631 -3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 76 71.539 6.667 -4.149 1.00 0.00 H new ATOM 1150 N PHE A 77 70.048 2.448 -1.939 1.00 0.00 N ATOM 1151 CA PHE A 77 69.231 1.526 -1.100 1.00 0.00 C ATOM 1152 C PHE A 77 70.129 0.464 -0.461 1.00 0.00 C ATOM 1153 O PHE A 77 70.146 0.295 0.742 1.00 0.00 O ATOM 1154 CB PHE A 77 68.239 0.881 -2.068 1.00 0.00 C ATOM 1155 CG PHE A 77 67.337 -0.064 -1.310 1.00 0.00 C ATOM 1156 CD1 PHE A 77 66.650 0.384 -0.176 1.00 0.00 C ATOM 1157 CD2 PHE A 77 67.187 -1.387 -1.743 1.00 0.00 C ATOM 1158 CE1 PHE A 77 65.812 -0.492 0.527 1.00 0.00 C ATOM 1159 CE2 PHE A 77 66.350 -2.262 -1.040 1.00 0.00 C ATOM 1160 CZ PHE A 77 65.662 -1.815 0.094 1.00 0.00 C ATOM 0 H PHE A 77 69.649 2.675 -2.850 1.00 0.00 H new ATOM 0 HA PHE A 77 68.724 2.045 -0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 77 67.645 1.650 -2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 77 68.775 0.341 -2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 77 66.766 1.405 0.157 1.00 0.00 H new ATOM 0 HD2 PHE A 77 67.717 -1.732 -2.619 1.00 0.00 H new ATOM 0 HE1 PHE A 77 65.282 -0.147 1.402 1.00 0.00 H new ATOM 0 HE2 PHE A 77 66.235 -3.283 -1.373 1.00 0.00 H new ATOM 0 HZ PHE A 77 65.016 -2.490 0.635 1.00 0.00 H new ATOM 1170 N LEU A 78 70.877 -0.251 -1.256 1.00 0.00 N ATOM 1171 CA LEU A 78 71.773 -1.299 -0.689 1.00 0.00 C ATOM 1172 C LEU A 78 72.527 -0.743 0.523 1.00 0.00 C ATOM 1173 O LEU A 78 72.513 -1.321 1.593 1.00 0.00 O ATOM 1174 CB LEU A 78 72.748 -1.641 -1.817 1.00 0.00 C ATOM 1175 CG LEU A 78 72.075 -2.606 -2.795 1.00 0.00 C ATOM 1176 CD1 LEU A 78 73.086 -3.048 -3.856 1.00 0.00 C ATOM 1177 CD2 LEU A 78 71.570 -3.832 -2.033 1.00 0.00 C ATOM 0 H LEU A 78 70.907 -0.155 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 78 71.223 -2.176 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 78 73.053 -0.733 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 78 73.652 -2.092 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 78 71.236 -2.105 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 78 72.606 -3.735 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 78 73.448 -2.175 -4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 78 73.925 -3.548 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 78 71.090 -4.521 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 78 72.410 -4.331 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 78 70.850 -3.519 -1.277 1.00 0.00 H new ATOM 1189 N VAL A 79 73.180 0.375 0.365 1.00 0.00 N ATOM 1190 CA VAL A 79 73.931 0.969 1.509 1.00 0.00 C ATOM 1191 C VAL A 79 72.975 1.263 2.668 1.00 0.00 C ATOM 1192 O VAL A 79 73.342 1.183 3.824 1.00 0.00 O ATOM 1193 CB VAL A 79 74.523 2.267 0.962 1.00 0.00 C ATOM 1194 CG1 VAL A 79 75.387 2.929 2.037 1.00 0.00 C ATOM 1195 CG2 VAL A 79 75.386 1.954 -0.263 1.00 0.00 C ATOM 0 H VAL A 79 73.227 0.904 -0.506 1.00 0.00 H new ATOM 0 HA VAL A 79 74.701 0.300 1.892 1.00 0.00 H new ATOM 0 HB VAL A 79 73.716 2.943 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 79 75.809 3.855 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 79 74.774 3.150 2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 79 76.194 2.254 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 79 75.810 2.878 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 79 76.192 1.278 0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 79 74.772 1.482 -1.030 1.00 0.00 H new ATOM 1205 N MET A 80 71.751 1.599 2.368 1.00 0.00 N ATOM 1206 CA MET A 80 70.771 1.895 3.452 1.00 0.00 C ATOM 1207 C MET A 80 70.274 0.591 4.080 1.00 0.00 C ATOM 1208 O MET A 80 70.008 0.521 5.263 1.00 0.00 O ATOM 1209 CB MET A 80 69.624 2.632 2.761 1.00 0.00 C ATOM 1210 CG MET A 80 69.588 4.085 3.237 1.00 0.00 C ATOM 1211 SD MET A 80 67.876 4.675 3.250 1.00 0.00 S ATOM 1212 CE MET A 80 68.039 5.877 1.908 1.00 0.00 C ATOM 0 H MET A 80 71.386 1.682 1.419 1.00 0.00 H new ATOM 0 HA MET A 80 71.208 2.489 4.255 1.00 0.00 H new ATOM 0 HB2 MET A 80 69.754 2.596 1.679 1.00 0.00 H new ATOM 0 HB3 MET A 80 68.676 2.142 2.984 1.00 0.00 H new ATOM 0 HG2 MET A 80 70.018 4.162 4.236 1.00 0.00 H new ATOM 0 HG3 MET A 80 70.194 4.709 2.580 1.00 0.00 H new ATOM 0 HE1 MET A 80 67.057 6.079 1.480 1.00 0.00 H new ATOM 0 HE2 MET A 80 68.463 6.803 2.298 1.00 0.00 H new ATOM 0 HE3 MET A 80 68.695 5.474 1.137 1.00 0.00 H new ATOM 1222 N MET A 81 70.150 -0.445 3.296 1.00 0.00 N ATOM 1223 CA MET A 81 69.674 -1.746 3.847 1.00 0.00 C ATOM 1224 C MET A 81 70.730 -2.333 4.787 1.00 0.00 C ATOM 1225 O MET A 81 70.415 -2.926 5.799 1.00 0.00 O ATOM 1226 CB MET A 81 69.481 -2.647 2.627 1.00 0.00 C ATOM 1227 CG MET A 81 68.095 -2.402 2.023 1.00 0.00 C ATOM 1228 SD MET A 81 67.347 -3.986 1.569 1.00 0.00 S ATOM 1229 CE MET A 81 67.108 -4.614 3.249 1.00 0.00 C ATOM 0 H MET A 81 70.358 -0.447 2.297 1.00 0.00 H new ATOM 0 HA MET A 81 68.755 -1.642 4.423 1.00 0.00 H new ATOM 0 HB2 MET A 81 70.253 -2.443 1.885 1.00 0.00 H new ATOM 0 HB3 MET A 81 69.584 -3.693 2.915 1.00 0.00 H new ATOM 0 HG2 MET A 81 67.461 -1.880 2.740 1.00 0.00 H new ATOM 0 HG3 MET A 81 68.177 -1.761 1.145 1.00 0.00 H new ATOM 0 HE1 MET A 81 66.228 -5.256 3.276 1.00 0.00 H new ATOM 0 HE2 MET A 81 67.985 -5.187 3.551 1.00 0.00 H new ATOM 0 HE3 MET A 81 66.968 -3.778 3.934 1.00 0.00 H new ATOM 1239 N VAL A 82 71.983 -2.169 4.458 1.00 0.00 N ATOM 1240 CA VAL A 82 73.060 -2.715 5.333 1.00 0.00 C ATOM 1241 C VAL A 82 73.291 -1.784 6.527 1.00 0.00 C ATOM 1242 O VAL A 82 73.989 -2.120 7.462 1.00 0.00 O ATOM 1243 CB VAL A 82 74.303 -2.762 4.443 1.00 0.00 C ATOM 1244 CG1 VAL A 82 74.009 -3.603 3.199 1.00 0.00 C ATOM 1245 CG2 VAL A 82 74.679 -1.341 4.020 1.00 0.00 C ATOM 0 H VAL A 82 72.307 -1.681 3.623 1.00 0.00 H new ATOM 0 HA VAL A 82 72.809 -3.696 5.737 1.00 0.00 H new ATOM 0 HB VAL A 82 75.129 -3.209 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 82 74.895 -3.636 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 82 73.739 -4.615 3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 82 73.183 -3.157 2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 82 75.565 -1.373 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 82 73.852 -0.895 3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 82 74.888 -0.741 4.906 1.00 0.00 H new ATOM 1255 N ARG A 83 72.709 -0.615 6.500 1.00 0.00 N ATOM 1256 CA ARG A 83 72.894 0.338 7.632 1.00 0.00 C ATOM 1257 C ARG A 83 71.981 -0.043 8.800 1.00 0.00 C ATOM 1258 O ARG A 83 72.169 0.400 9.916 1.00 0.00 O ATOM 1259 CB ARG A 83 72.497 1.703 7.066 1.00 0.00 C ATOM 1260 CG ARG A 83 73.734 2.600 6.978 1.00 0.00 C ATOM 1261 CD ARG A 83 73.310 4.067 7.080 1.00 0.00 C ATOM 1262 NE ARG A 83 74.547 4.847 6.795 1.00 0.00 N ATOM 1263 CZ ARG A 83 74.965 5.741 7.650 1.00 0.00 C ATOM 1264 NH1 ARG A 83 74.268 6.825 7.853 1.00 0.00 N ATOM 1265 NH2 ARG A 83 76.079 5.550 8.302 1.00 0.00 N ATOM 0 H ARG A 83 72.114 -0.279 5.743 1.00 0.00 H new ATOM 0 HA ARG A 83 73.915 0.334 8.013 1.00 0.00 H new ATOM 0 HB2 ARG A 83 72.051 1.583 6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 83 71.743 2.167 7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 83 74.431 2.356 7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 83 74.256 2.426 6.037 1.00 0.00 H new ATOM 0 HD2 ARG A 83 72.522 4.301 6.364 1.00 0.00 H new ATOM 0 HD3 ARG A 83 72.918 4.297 8.071 1.00 0.00 H new ATOM 0 HE ARG A 83 75.067 4.683 5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 83 73.397 6.974 7.344 1.00 0.00 H new ATOM 0 HH12 ARG A 83 74.594 7.524 8.521 1.00 0.00 H new ATOM 0 HH21 ARG A 83 76.624 4.702 8.144 1.00 0.00 H new ATOM 0 HH22 ARG A 83 76.405 6.249 8.970 1.00 0.00 H new ATOM 1279 N CYS A 84 70.994 -0.860 8.553 1.00 0.00 N ATOM 1280 CA CYS A 84 70.070 -1.264 9.652 1.00 0.00 C ATOM 1281 C CYS A 84 70.351 -2.708 10.075 1.00 0.00 C ATOM 1282 O CYS A 84 69.673 -3.262 10.918 1.00 0.00 O ATOM 1283 CB CYS A 84 68.668 -1.142 9.055 1.00 0.00 C ATOM 1284 SG CYS A 84 67.439 -1.227 10.381 1.00 0.00 S ATOM 0 H CYS A 84 70.787 -1.265 7.640 1.00 0.00 H new ATOM 0 HA CYS A 84 70.189 -0.645 10.541 1.00 0.00 H new ATOM 0 HB2 CYS A 84 68.572 -0.200 8.515 1.00 0.00 H new ATOM 0 HB3 CYS A 84 68.497 -1.942 8.334 1.00 0.00 H new ATOM 0 HG CYS A 84 67.783 -2.146 11.233 1.00 0.00 H new ATOM 1290 N MET A 85 71.347 -3.322 9.498 1.00 0.00 N ATOM 1291 CA MET A 85 71.672 -4.729 9.869 1.00 0.00 C ATOM 1292 C MET A 85 73.170 -4.866 10.156 1.00 0.00 C ATOM 1293 O MET A 85 73.781 -5.871 9.849 1.00 0.00 O ATOM 1294 CB MET A 85 71.279 -5.560 8.648 1.00 0.00 C ATOM 1295 CG MET A 85 72.290 -5.323 7.524 1.00 0.00 C ATOM 1296 SD MET A 85 73.204 -6.853 7.202 1.00 0.00 S ATOM 1297 CE MET A 85 71.958 -7.645 6.157 1.00 0.00 C ATOM 0 H MET A 85 71.950 -2.911 8.786 1.00 0.00 H new ATOM 0 HA MET A 85 71.147 -5.053 10.767 1.00 0.00 H new ATOM 0 HB2 MET A 85 71.250 -6.618 8.909 1.00 0.00 H new ATOM 0 HB3 MET A 85 70.278 -5.286 8.315 1.00 0.00 H new ATOM 0 HG2 MET A 85 71.775 -4.997 6.620 1.00 0.00 H new ATOM 0 HG3 MET A 85 72.980 -4.526 7.803 1.00 0.00 H new ATOM 0 HE1 MET A 85 72.319 -8.623 5.837 1.00 0.00 H new ATOM 0 HE2 MET A 85 71.034 -7.766 6.722 1.00 0.00 H new ATOM 0 HE3 MET A 85 71.769 -7.024 5.281 1.00 0.00 H new ATOM 1307 N LYS A 86 73.765 -3.863 10.741 1.00 0.00 N ATOM 1308 CA LYS A 86 75.223 -3.935 11.047 1.00 0.00 C ATOM 1309 C LYS A 86 75.702 -2.611 11.648 1.00 0.00 C ATOM 1310 O LYS A 86 76.066 -1.692 10.940 1.00 0.00 O ATOM 1311 CB LYS A 86 75.898 -4.189 9.699 1.00 0.00 C ATOM 1312 CG LYS A 86 76.885 -5.350 9.833 1.00 0.00 C ATOM 1313 CD LYS A 86 76.988 -6.089 8.498 1.00 0.00 C ATOM 1314 CE LYS A 86 76.539 -7.540 8.680 1.00 0.00 C ATOM 1315 NZ LYS A 86 77.800 -8.318 8.831 1.00 0.00 N ATOM 0 H LYS A 86 73.305 -2.996 11.021 1.00 0.00 H new ATOM 0 HA LYS A 86 75.456 -4.715 11.772 1.00 0.00 H new ATOM 0 HB2 LYS A 86 75.148 -4.421 8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 86 76.419 -3.291 9.366 1.00 0.00 H new ATOM 0 HG2 LYS A 86 77.865 -4.976 10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 86 76.554 -6.034 10.615 1.00 0.00 H new ATOM 0 HD2 LYS A 86 76.367 -5.597 7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 86 78.014 -6.058 8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 86 75.901 -7.649 9.557 1.00 0.00 H new ATOM 0 HE3 LYS A 86 75.963 -7.885 7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 77.573 -9.325 8.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 78.384 -8.201 7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 78.324 -7.972 9.660 1.00 0.00 H new ATOM 1329 N ASP A 87 75.706 -2.506 12.948 1.00 0.00 N ATOM 1330 CA ASP A 87 76.161 -1.241 13.593 1.00 0.00 C ATOM 1331 C ASP A 87 76.953 -1.551 14.867 1.00 0.00 C ATOM 1332 O ASP A 87 76.575 -2.394 15.655 1.00 0.00 O ATOM 1333 CB ASP A 87 74.876 -0.484 13.932 1.00 0.00 C ATOM 1334 CG ASP A 87 74.050 -1.300 14.928 1.00 0.00 C ATOM 1335 OD1 ASP A 87 74.364 -1.253 16.106 1.00 0.00 O ATOM 1336 OD2 ASP A 87 73.118 -1.958 14.496 1.00 0.00 O ATOM 0 H ASP A 87 75.414 -3.241 13.592 1.00 0.00 H new ATOM 0 HA ASP A 87 76.817 -0.660 12.945 1.00 0.00 H new ATOM 0 HB2 ASP A 87 75.117 0.491 14.356 1.00 0.00 H new ATOM 0 HB3 ASP A 87 74.298 -0.304 13.026 1.00 0.00 H new ATOM 1341 N ASP A 88 78.051 -0.874 15.074 1.00 0.00 N ATOM 1342 CA ASP A 88 78.865 -1.130 16.296 1.00 0.00 C ATOM 1343 C ASP A 88 78.366 -0.263 17.456 1.00 0.00 C ATOM 1344 O ASP A 88 78.366 0.950 17.381 1.00 0.00 O ATOM 1345 CB ASP A 88 80.292 -0.739 15.910 1.00 0.00 C ATOM 1346 CG ASP A 88 81.099 -2.000 15.591 1.00 0.00 C ATOM 1347 OD1 ASP A 88 80.717 -2.707 14.673 1.00 0.00 O ATOM 1348 OD2 ASP A 88 82.085 -2.235 16.270 1.00 0.00 O ATOM 0 H ASP A 88 78.418 -0.156 14.450 1.00 0.00 H new ATOM 0 HA ASP A 88 78.801 -2.167 16.625 1.00 0.00 H new ATOM 0 HB2 ASP A 88 80.277 -0.076 15.045 1.00 0.00 H new ATOM 0 HB3 ASP A 88 80.763 -0.190 16.725 1.00 0.00 H new ATOM 1353 N SER A 89 77.942 -0.876 18.527 1.00 0.00 N ATOM 1354 CA SER A 89 77.442 -0.087 19.690 1.00 0.00 C ATOM 1355 C SER A 89 76.416 0.949 19.224 1.00 0.00 C ATOM 1356 O SER A 89 76.121 0.971 18.040 1.00 0.00 O ATOM 1357 CB SER A 89 78.680 0.603 20.261 1.00 0.00 C ATOM 1358 OG SER A 89 78.277 1.592 21.199 1.00 0.00 O ATOM 1359 OXT SER A 89 75.943 1.702 20.058 1.00 0.00 O ATOM 0 H SER A 89 77.920 -1.889 18.648 1.00 0.00 H new ATOM 0 HA SER A 89 76.946 -0.713 20.432 1.00 0.00 H new ATOM 0 HB2 SER A 89 79.328 -0.129 20.743 1.00 0.00 H new ATOM 0 HB3 SER A 89 79.258 1.061 19.458 1.00 0.00 H new ATOM 0 HG SER A 89 77.299 1.656 21.207 1.00 0.00 H new TER 1365 SER A 89