USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 768 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 27 GLN :FLIP amide:sc= -0.108 F(o=-6.4,f=-5.2) USER MOD Set 1.2: A 84 SER OG : rot 12:sc= -5.06! USER MOD Set 1.3: A 105 MET CE :methyl 179:sc= 0 (180deg=0) USER MOD Set 2.1: A 16 GLN :FLIP amide:sc= -1.4 F(o=-10!,f=-5.9) USER MOD Set 2.2: A 19 GLN : amide:sc= -4.54! C(o=-5.9!,f=-12!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 170:sc= 0 USER MOD Single : A 18 CYS SG : rot 93:sc= -0.309 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.304 F(o=-2.6!,f=-0.3) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -71:sc= -5.3! USER MOD Single : A 36 SER OG : rot 180:sc= -0.0245 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 178:sc= -0.312 (180deg=-0.386) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.158 USER MOD Single : A 42 GLN : amide:sc= -12! C(o=-12!,f=-13!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -4.01! C(o=-4!,f=-4.9!) USER MOD Single : A 54 GLN :FLIP amide:sc= -4.18 F(o=-7.9!,f=-4.2) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0317 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 142:sc= 0.59 USER MOD Single : A 68 GLN : amide:sc= -0.017 K(o=-0.017,f=-1.1) USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0354) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.922 F(o=-4.4!,f=-0.92) USER MOD Single : A 72 SER OG : rot 8:sc= 0.737 USER MOD Single : A 78 THR OG1 : rot -163:sc= -0.769 USER MOD Single : A 80 SER OG : rot -128:sc= 0.0619 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= -0.0338 (180deg=-0.293) USER MOD Single : A 86 MET CE :methyl 180:sc= -3.67! (180deg=-3.67!) USER MOD Single : A 91 ASN :FLIP amide:sc= -3.57! C(o=-5.4!,f=-3.6!) USER MOD Single : A 96 LYS NZ :NH3+ 151:sc= 0.684 (180deg=-2.12!) USER MOD Single : A 103 GLN : amide:sc= -2.22! X(o=-2.2!,f=-2.7) USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.0308 F(o=-0.6,f=-0.031) USER MOD Single : A 108 SER OG : rot -99:sc= 0.576 USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 3 6.567 -6.881 -7.287 1.00 0.00 N ATOM 34 CA THR A 3 7.669 -7.766 -7.652 1.00 0.00 C ATOM 35 C THR A 3 8.732 -7.021 -8.454 1.00 0.00 C ATOM 36 O THR A 3 9.696 -7.630 -8.918 1.00 0.00 O ATOM 37 CB THR A 3 7.224 -9.013 -8.444 1.00 0.00 C ATOM 38 OG1 THR A 3 7.063 -8.701 -9.832 1.00 0.00 O ATOM 39 CG2 THR A 3 5.931 -9.575 -7.882 1.00 0.00 C ATOM 0 HA THR A 3 8.085 -8.110 -6.705 1.00 0.00 H new ATOM 0 HB THR A 3 8.003 -9.769 -8.345 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.782 -9.505 -10.317 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.636 -10.454 -8.456 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.079 -9.856 -6.839 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.148 -8.820 -7.947 1.00 0.00 H new ATOM 47 N ASP A 4 8.569 -5.700 -8.622 1.00 0.00 N ATOM 48 CA ASP A 4 9.549 -4.905 -9.358 1.00 0.00 C ATOM 49 C ASP A 4 10.950 -5.216 -8.847 1.00 0.00 C ATOM 50 O ASP A 4 11.743 -5.844 -9.549 1.00 0.00 O ATOM 51 CB ASP A 4 9.244 -3.411 -9.226 1.00 0.00 C ATOM 52 CG ASP A 4 10.209 -2.553 -10.021 1.00 0.00 C ATOM 53 OD1 ASP A 4 10.046 -2.463 -11.256 1.00 0.00 O ATOM 54 OD2 ASP A 4 11.128 -1.973 -9.408 1.00 0.00 O ATOM 0 H ASP A 4 7.776 -5.170 -8.261 1.00 0.00 H new ATOM 0 HA ASP A 4 9.492 -5.165 -10.415 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.226 -3.219 -9.566 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.288 -3.125 -8.175 1.00 0.00 H new ATOM 59 N ILE A 5 11.264 -4.779 -7.627 1.00 0.00 N ATOM 60 CA ILE A 5 12.563 -5.093 -7.057 1.00 0.00 C ATOM 61 C ILE A 5 12.411 -5.526 -5.598 1.00 0.00 C ATOM 62 O ILE A 5 12.563 -4.739 -4.674 1.00 0.00 O ATOM 63 CB ILE A 5 13.463 -3.842 -7.123 1.00 0.00 C ATOM 64 CG1 ILE A 5 13.660 -3.403 -8.575 1.00 0.00 C ATOM 65 CG2 ILE A 5 14.803 -4.082 -6.451 1.00 0.00 C ATOM 66 CD1 ILE A 5 13.840 -1.909 -8.733 1.00 0.00 C ATOM 0 H ILE A 5 10.651 -4.221 -7.032 1.00 0.00 H new ATOM 0 HA ILE A 5 13.012 -5.908 -7.625 1.00 0.00 H new ATOM 0 HB ILE A 5 12.961 -3.042 -6.579 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.532 -3.912 -8.985 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.799 -3.722 -9.163 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.410 -3.179 -6.517 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.644 -4.336 -5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.318 -4.903 -6.950 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.975 -1.668 -9.788 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.958 -1.394 -8.353 1.00 0.00 H new ATOM 0 HD13 ILE A 5 14.718 -1.587 -8.173 1.00 0.00 H new ATOM 78 N LEU A 6 12.146 -6.811 -5.431 1.00 0.00 N ATOM 79 CA LEU A 6 12.013 -7.410 -4.112 1.00 0.00 C ATOM 80 C LEU A 6 11.847 -8.926 -4.187 1.00 0.00 C ATOM 81 O LEU A 6 11.606 -9.480 -5.260 1.00 0.00 O ATOM 82 CB LEU A 6 10.884 -6.754 -3.305 1.00 0.00 C ATOM 83 CG LEU A 6 9.521 -6.607 -3.983 1.00 0.00 C ATOM 84 CD1 LEU A 6 9.567 -5.651 -5.165 1.00 0.00 C ATOM 85 CD2 LEU A 6 9.004 -7.957 -4.396 1.00 0.00 C ATOM 0 H LEU A 6 12.017 -7.467 -6.202 1.00 0.00 H new ATOM 0 HA LEU A 6 12.945 -7.220 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.744 -7.332 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.219 -5.761 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 6 8.833 -6.172 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.576 -5.579 -5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.883 -4.665 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.275 -6.022 -5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.033 -7.843 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.704 -8.417 -5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.900 -8.592 -3.516 1.00 0.00 H new ATOM 97 N SER A 7 11.980 -9.591 -3.043 1.00 0.00 N ATOM 98 CA SER A 7 11.827 -11.043 -2.977 1.00 0.00 C ATOM 99 C SER A 7 10.355 -11.429 -3.114 1.00 0.00 C ATOM 100 O SER A 7 9.537 -11.125 -2.246 1.00 0.00 O ATOM 101 CB SER A 7 12.389 -11.580 -1.659 1.00 0.00 C ATOM 102 OG SER A 7 13.744 -11.202 -1.489 1.00 0.00 O ATOM 0 H SER A 7 12.193 -9.149 -2.149 1.00 0.00 H new ATOM 0 HA SER A 7 12.385 -11.486 -3.802 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.796 -11.202 -0.826 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.307 -12.667 -1.641 1.00 0.00 H new ATOM 0 HG SER A 7 14.031 -11.415 -0.577 1.00 0.00 H new ATOM 108 N ALA A 8 10.034 -12.106 -4.213 1.00 0.00 N ATOM 109 CA ALA A 8 8.666 -12.529 -4.500 1.00 0.00 C ATOM 110 C ALA A 8 8.099 -13.419 -3.397 1.00 0.00 C ATOM 111 O ALA A 8 6.939 -13.286 -3.012 1.00 0.00 O ATOM 112 CB ALA A 8 8.615 -13.256 -5.834 1.00 0.00 C ATOM 0 H ALA A 8 10.711 -12.376 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 8 8.048 -11.632 -4.548 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.591 -13.568 -6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.957 -12.589 -6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.260 -14.133 -5.795 1.00 0.00 H new ATOM 118 N GLU A 9 8.923 -14.336 -2.904 1.00 0.00 N ATOM 119 CA GLU A 9 8.497 -15.262 -1.864 1.00 0.00 C ATOM 120 C GLU A 9 8.152 -14.512 -0.586 1.00 0.00 C ATOM 121 O GLU A 9 7.073 -14.689 -0.018 1.00 0.00 O ATOM 122 CB GLU A 9 9.605 -16.275 -1.593 1.00 0.00 C ATOM 123 CG GLU A 9 9.900 -17.166 -2.780 1.00 0.00 C ATOM 124 CD GLU A 9 8.725 -18.044 -3.163 1.00 0.00 C ATOM 125 OE1 GLU A 9 8.237 -18.797 -2.293 1.00 0.00 O ATOM 126 OE2 GLU A 9 8.290 -17.978 -4.332 1.00 0.00 O ATOM 0 H GLU A 9 9.889 -14.457 -3.208 1.00 0.00 H new ATOM 0 HA GLU A 9 7.604 -15.786 -2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.514 -15.743 -1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.322 -16.895 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.178 -16.547 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.759 -17.796 -2.550 1.00 0.00 H new ATOM 133 N ASP A 10 9.078 -13.674 -0.139 1.00 0.00 N ATOM 134 CA ASP A 10 8.859 -12.874 1.053 1.00 0.00 C ATOM 135 C ASP A 10 7.559 -12.109 0.969 1.00 0.00 C ATOM 136 O ASP A 10 6.933 -11.832 1.990 1.00 0.00 O ATOM 137 CB ASP A 10 10.031 -11.914 1.265 1.00 0.00 C ATOM 138 CG ASP A 10 11.323 -12.643 1.577 1.00 0.00 C ATOM 139 OD1 ASP A 10 12.057 -12.982 0.625 1.00 0.00 O ATOM 140 OD2 ASP A 10 11.601 -12.874 2.773 1.00 0.00 O ATOM 0 H ASP A 10 9.985 -13.533 -0.584 1.00 0.00 H new ATOM 0 HA ASP A 10 8.794 -13.549 1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.166 -11.306 0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.795 -11.231 2.081 1.00 0.00 H new ATOM 145 N ILE A 11 7.140 -11.778 -0.237 1.00 0.00 N ATOM 146 CA ILE A 11 5.894 -11.053 -0.412 1.00 0.00 C ATOM 147 C ILE A 11 4.732 -11.933 0.037 1.00 0.00 C ATOM 148 O ILE A 11 3.855 -11.495 0.780 1.00 0.00 O ATOM 149 CB ILE A 11 5.729 -10.593 -1.888 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.312 -9.188 -2.069 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.278 -10.628 -2.369 1.00 0.00 C ATOM 152 CD1 ILE A 11 6.195 -8.665 -3.483 1.00 0.00 C ATOM 0 H ILE A 11 7.636 -11.996 -1.101 1.00 0.00 H new ATOM 0 HA ILE A 11 5.905 -10.154 0.204 1.00 0.00 H new ATOM 0 HB ILE A 11 6.279 -11.305 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.802 -8.502 -1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.363 -9.199 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.230 -10.296 -3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.895 -11.646 -2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.673 -9.967 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.628 -7.666 -3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.729 -9.330 -4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.144 -8.622 -3.769 1.00 0.00 H new ATOM 164 N ALA A 12 4.733 -13.174 -0.430 1.00 0.00 N ATOM 165 CA ALA A 12 3.680 -14.104 -0.068 1.00 0.00 C ATOM 166 C ALA A 12 3.600 -14.235 1.432 1.00 0.00 C ATOM 167 O ALA A 12 2.547 -14.035 2.013 1.00 0.00 O ATOM 168 CB ALA A 12 3.923 -15.460 -0.696 1.00 0.00 C ATOM 0 H ALA A 12 5.445 -13.554 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 12 2.733 -13.716 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.122 -16.142 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.946 -15.360 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.877 -15.856 -0.348 1.00 0.00 H new ATOM 174 N ALA A 13 4.728 -14.529 2.061 1.00 0.00 N ATOM 175 CA ALA A 13 4.762 -14.663 3.510 1.00 0.00 C ATOM 176 C ALA A 13 4.394 -13.336 4.149 1.00 0.00 C ATOM 177 O ALA A 13 3.512 -13.252 5.002 1.00 0.00 O ATOM 178 CB ALA A 13 6.136 -15.112 3.976 1.00 0.00 C ATOM 0 H ALA A 13 5.624 -14.678 1.597 1.00 0.00 H new ATOM 0 HA ALA A 13 4.040 -15.421 3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.139 -15.206 5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.375 -16.076 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.881 -14.376 3.673 1.00 0.00 H new ATOM 184 N ALA A 14 5.101 -12.302 3.713 1.00 0.00 N ATOM 185 CA ALA A 14 4.867 -10.952 4.201 1.00 0.00 C ATOM 186 C ALA A 14 3.379 -10.621 4.147 1.00 0.00 C ATOM 187 O ALA A 14 2.809 -10.099 5.105 1.00 0.00 O ATOM 188 CB ALA A 14 5.654 -9.952 3.367 1.00 0.00 C ATOM 0 H ALA A 14 5.845 -12.375 3.019 1.00 0.00 H new ATOM 0 HA ALA A 14 5.202 -10.891 5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.472 -8.944 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.718 -10.178 3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.336 -10.016 2.326 1.00 0.00 H new ATOM 194 N LEU A 15 2.763 -10.929 3.015 1.00 0.00 N ATOM 195 CA LEU A 15 1.345 -10.677 2.810 1.00 0.00 C ATOM 196 C LEU A 15 0.470 -11.658 3.577 1.00 0.00 C ATOM 197 O LEU A 15 -0.366 -11.277 4.395 1.00 0.00 O ATOM 198 CB LEU A 15 1.030 -10.788 1.329 1.00 0.00 C ATOM 199 CG LEU A 15 -0.426 -10.517 0.956 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.922 -9.264 1.653 1.00 0.00 C ATOM 201 CD2 LEU A 15 -0.575 -10.381 -0.553 1.00 0.00 C ATOM 0 H LEU A 15 3.230 -11.359 2.216 1.00 0.00 H new ATOM 0 HA LEU A 15 1.129 -9.675 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.665 -10.089 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.296 -11.790 0.991 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.031 -11.362 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.961 -9.082 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.849 -9.395 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.312 -8.413 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.619 -10.188 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.040 -9.553 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.253 -11.304 -1.035 1.00 0.00 H new ATOM 213 N GLN A 16 0.687 -12.929 3.295 1.00 0.00 N ATOM 214 CA GLN A 16 -0.064 -14.037 3.874 1.00 0.00 C ATOM 215 C GLN A 16 0.051 -14.178 5.383 1.00 0.00 C ATOM 216 O GLN A 16 -0.586 -15.064 5.955 1.00 0.00 O ATOM 217 CB GLN A 16 0.410 -15.331 3.238 1.00 0.00 C ATOM 218 CG GLN A 16 -0.089 -15.561 1.814 1.00 0.00 C ATOM 219 CD GLN A 16 -0.762 -14.356 1.166 1.00 0.00 C ATOM 220 OE1 GLN A 16 0.011 -13.568 0.432 1.00 0.00 O flip ATOM 221 NE2 GLN A 16 -1.965 -14.148 1.318 1.00 0.00 N flip ATOM 0 H GLN A 16 1.408 -13.232 2.640 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.113 -13.821 3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.500 -15.339 3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.088 -16.166 3.861 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.754 -15.865 1.194 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.794 -16.392 1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.523 -14.780 1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.404 -13.343 0.870 1.00 0.00 H new ATOM 230 N GLU A 17 0.832 -13.345 6.055 1.00 0.00 N ATOM 231 CA GLU A 17 0.978 -13.533 7.482 1.00 0.00 C ATOM 232 C GLU A 17 -0.325 -13.225 8.206 1.00 0.00 C ATOM 233 O GLU A 17 -1.030 -14.142 8.624 1.00 0.00 O ATOM 234 CB GLU A 17 2.119 -12.658 8.008 1.00 0.00 C ATOM 235 CG GLU A 17 2.209 -12.585 9.512 1.00 0.00 C ATOM 236 CD GLU A 17 1.484 -11.391 10.092 1.00 0.00 C ATOM 237 OE1 GLU A 17 1.540 -10.305 9.478 1.00 0.00 O ATOM 238 OE2 GLU A 17 0.863 -11.541 11.164 1.00 0.00 O ATOM 0 H GLU A 17 1.352 -12.565 5.653 1.00 0.00 H new ATOM 0 HA GLU A 17 1.223 -14.577 7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.062 -13.040 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.997 -11.649 7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.794 -13.498 9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.258 -12.544 9.806 1.00 0.00 H new ATOM 245 N CYS A 18 -0.660 -11.949 8.363 1.00 0.00 N ATOM 246 CA CYS A 18 -1.911 -11.560 9.009 1.00 0.00 C ATOM 247 C CYS A 18 -2.929 -10.953 8.043 1.00 0.00 C ATOM 248 O CYS A 18 -4.015 -10.573 8.473 1.00 0.00 O ATOM 249 CB CYS A 18 -1.643 -10.573 10.145 1.00 0.00 C ATOM 250 SG CYS A 18 -1.894 -11.265 11.797 1.00 0.00 S ATOM 0 H CYS A 18 -0.084 -11.166 8.053 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.345 -12.480 9.401 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.617 -10.213 10.065 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.295 -9.708 10.022 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.766 -11.725 12.251 1.00 0.00 H new ATOM 256 N GLN A 19 -2.605 -10.864 6.749 1.00 0.00 N ATOM 257 CA GLN A 19 -3.493 -10.177 5.803 1.00 0.00 C ATOM 258 C GLN A 19 -4.961 -10.539 6.007 1.00 0.00 C ATOM 259 O GLN A 19 -5.310 -11.681 6.300 1.00 0.00 O ATOM 260 CB GLN A 19 -3.071 -10.496 4.372 1.00 0.00 C ATOM 261 CG GLN A 19 -4.053 -10.028 3.307 1.00 0.00 C ATOM 262 CD GLN A 19 -3.714 -10.562 1.928 1.00 0.00 C ATOM 263 OE1 GLN A 19 -3.152 -11.649 1.793 1.00 0.00 O ATOM 264 NE2 GLN A 19 -4.052 -9.798 0.897 1.00 0.00 N ATOM 0 H GLN A 19 -1.754 -11.249 6.338 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.399 -9.107 5.990 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.101 -10.037 4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.938 -11.574 4.277 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.059 -10.348 3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.061 -8.938 3.279 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.517 -8.904 1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.847 -10.105 -0.054 1.00 0.00 H new ATOM 273 N ASP A 20 -5.806 -9.521 5.833 1.00 0.00 N ATOM 274 CA ASP A 20 -7.249 -9.656 6.016 1.00 0.00 C ATOM 275 C ASP A 20 -7.933 -8.298 5.886 1.00 0.00 C ATOM 276 O ASP A 20 -7.289 -7.260 6.014 1.00 0.00 O ATOM 277 CB ASP A 20 -7.566 -10.262 7.385 1.00 0.00 C ATOM 278 CG ASP A 20 -7.778 -11.762 7.325 1.00 0.00 C ATOM 279 OD1 ASP A 20 -8.784 -12.196 6.725 1.00 0.00 O ATOM 280 OD2 ASP A 20 -6.942 -12.503 7.883 1.00 0.00 O ATOM 0 H ASP A 20 -5.509 -8.584 5.562 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.626 -10.321 5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.750 -10.042 8.073 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.461 -9.788 7.789 1.00 0.00 H new ATOM 285 N PRO A 21 -9.253 -8.289 5.647 1.00 0.00 N ATOM 286 CA PRO A 21 -10.018 -7.053 5.511 1.00 0.00 C ATOM 287 C PRO A 21 -10.216 -6.337 6.840 1.00 0.00 C ATOM 288 O PRO A 21 -11.348 -6.064 7.236 1.00 0.00 O ATOM 289 CB PRO A 21 -11.358 -7.529 4.969 1.00 0.00 C ATOM 290 CG PRO A 21 -11.490 -8.929 5.439 1.00 0.00 C ATOM 291 CD PRO A 21 -10.099 -9.480 5.475 1.00 0.00 C ATOM 0 HA PRO A 21 -9.509 -6.331 4.872 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.175 -6.910 5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.385 -7.474 3.881 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.952 -8.968 6.426 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.123 -9.509 4.767 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.969 -10.185 6.296 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.856 -10.014 4.556 1.00 0.00 H new ATOM 299 N ASP A 22 -9.112 -6.019 7.515 1.00 0.00 N ATOM 300 CA ASP A 22 -9.191 -5.334 8.808 1.00 0.00 C ATOM 301 C ASP A 22 -7.825 -5.095 9.479 1.00 0.00 C ATOM 302 O ASP A 22 -7.768 -4.420 10.507 1.00 0.00 O ATOM 303 CB ASP A 22 -10.071 -6.133 9.774 1.00 0.00 C ATOM 304 CG ASP A 22 -10.207 -5.456 11.125 1.00 0.00 C ATOM 305 OD1 ASP A 22 -11.131 -4.631 11.285 1.00 0.00 O ATOM 306 OD2 ASP A 22 -9.387 -5.749 12.020 1.00 0.00 O ATOM 0 H ASP A 22 -8.164 -6.220 7.195 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.620 -4.356 8.592 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.060 -6.265 9.336 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.647 -7.128 9.910 1.00 0.00 H new ATOM 311 N THR A 23 -6.730 -5.627 8.931 1.00 0.00 N ATOM 312 CA THR A 23 -5.428 -5.444 9.565 1.00 0.00 C ATOM 313 C THR A 23 -4.356 -4.902 8.621 1.00 0.00 C ATOM 314 O THR A 23 -3.499 -4.130 9.051 1.00 0.00 O ATOM 315 CB THR A 23 -4.911 -6.766 10.161 1.00 0.00 C ATOM 316 OG1 THR A 23 -3.647 -6.555 10.800 1.00 0.00 O ATOM 317 CG2 THR A 23 -4.763 -7.823 9.080 1.00 0.00 C ATOM 0 H THR A 23 -6.719 -6.175 8.071 1.00 0.00 H new ATOM 0 HA THR A 23 -5.599 -4.704 10.347 1.00 0.00 H new ATOM 0 HB THR A 23 -5.636 -7.115 10.896 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.326 -7.400 11.178 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.396 -8.749 9.524 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.731 -8.003 8.612 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.055 -7.477 8.327 1.00 0.00 H new ATOM 325 N PHE A 24 -4.434 -5.253 7.331 1.00 0.00 N ATOM 326 CA PHE A 24 -3.398 -4.832 6.370 1.00 0.00 C ATOM 327 C PHE A 24 -3.484 -5.613 5.057 1.00 0.00 C ATOM 328 O PHE A 24 -3.497 -6.844 5.078 1.00 0.00 O ATOM 329 CB PHE A 24 -1.968 -5.056 6.975 1.00 0.00 C ATOM 330 CG PHE A 24 -1.239 -6.255 6.408 1.00 0.00 C ATOM 331 CD1 PHE A 24 -0.647 -6.182 5.156 1.00 0.00 C ATOM 332 CD2 PHE A 24 -1.204 -7.455 7.098 1.00 0.00 C ATOM 333 CE1 PHE A 24 -0.031 -7.287 4.603 1.00 0.00 C ATOM 334 CE2 PHE A 24 -0.580 -8.561 6.556 1.00 0.00 C ATOM 335 CZ PHE A 24 0.004 -8.479 5.307 1.00 0.00 C ATOM 0 H PHE A 24 -5.185 -5.815 6.931 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.570 -3.775 6.168 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.367 -4.163 6.801 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.056 -5.175 8.055 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.668 -5.252 4.608 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.669 -7.527 8.070 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.422 -7.222 3.625 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.549 -9.489 7.108 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.488 -9.345 4.879 1.00 0.00 H new ATOM 345 N GLU A 25 -3.544 -4.927 3.918 1.00 0.00 N ATOM 346 CA GLU A 25 -3.524 -5.671 2.666 1.00 0.00 C ATOM 347 C GLU A 25 -2.103 -5.659 2.064 1.00 0.00 C ATOM 348 O GLU A 25 -1.552 -6.699 1.726 1.00 0.00 O ATOM 349 CB GLU A 25 -4.538 -5.165 1.658 1.00 0.00 C ATOM 350 CG GLU A 25 -5.858 -4.835 2.286 1.00 0.00 C ATOM 351 CD GLU A 25 -6.416 -6.002 3.073 1.00 0.00 C ATOM 352 OE1 GLU A 25 -6.082 -6.118 4.270 1.00 0.00 O ATOM 353 OE2 GLU A 25 -7.179 -6.803 2.493 1.00 0.00 O ATOM 0 H GLU A 25 -3.604 -3.912 3.836 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.811 -6.696 2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.142 -4.277 1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.686 -5.920 0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.741 -3.975 2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.568 -4.548 1.510 1.00 0.00 H new ATOM 360 N PRO A 26 -1.501 -4.432 1.919 1.00 0.00 N ATOM 361 CA PRO A 26 -0.167 -4.215 1.332 1.00 0.00 C ATOM 362 C PRO A 26 1.007 -3.804 2.270 1.00 0.00 C ATOM 363 O PRO A 26 2.161 -4.112 1.977 1.00 0.00 O ATOM 364 CB PRO A 26 -0.472 -3.032 0.410 1.00 0.00 C ATOM 365 CG PRO A 26 -1.583 -2.284 1.064 1.00 0.00 C ATOM 366 CD PRO A 26 -2.127 -3.137 2.165 1.00 0.00 C ATOM 0 HA PRO A 26 0.202 -5.151 0.913 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.406 -2.398 0.284 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.763 -3.375 -0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.222 -1.335 1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.364 -2.051 0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.866 -2.743 3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.214 -3.201 2.126 1.00 0.00 H new ATOM 374 N GLN A 27 0.722 -3.113 3.374 1.00 0.00 N ATOM 375 CA GLN A 27 1.748 -2.590 4.279 1.00 0.00 C ATOM 376 C GLN A 27 2.806 -3.605 4.716 1.00 0.00 C ATOM 377 O GLN A 27 4.002 -3.379 4.530 1.00 0.00 O ATOM 378 CB GLN A 27 1.056 -2.030 5.507 1.00 0.00 C ATOM 379 CG GLN A 27 1.728 -0.805 6.074 1.00 0.00 C ATOM 380 CD GLN A 27 1.478 -0.632 7.563 1.00 0.00 C ATOM 381 OE1 GLN A 27 0.335 -1.121 8.044 1.00 0.00 O flip ATOM 382 NE2 GLN A 27 2.305 -0.066 8.277 1.00 0.00 N flip ATOM 0 H GLN A 27 -0.231 -2.899 3.668 1.00 0.00 H new ATOM 0 HA GLN A 27 2.292 -1.828 3.721 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.025 -1.783 5.252 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.018 -2.802 6.276 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.801 -0.870 5.896 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.370 0.078 5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.168 0.295 7.870 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.127 0.043 9.276 1.00 0.00 H new ATOM 391 N LYS A 28 2.370 -4.711 5.291 1.00 0.00 N ATOM 392 CA LYS A 28 3.298 -5.705 5.761 1.00 0.00 C ATOM 393 C LYS A 28 3.917 -6.388 4.555 1.00 0.00 C ATOM 394 O LYS A 28 5.089 -6.766 4.563 1.00 0.00 O ATOM 395 CB LYS A 28 2.580 -6.687 6.666 1.00 0.00 C ATOM 396 CG LYS A 28 2.131 -6.088 7.988 1.00 0.00 C ATOM 397 CD LYS A 28 2.732 -6.828 9.168 1.00 0.00 C ATOM 398 CE LYS A 28 4.250 -6.761 9.148 1.00 0.00 C ATOM 399 NZ LYS A 28 4.857 -7.620 10.202 1.00 0.00 N ATOM 0 H LYS A 28 1.386 -4.936 5.440 1.00 0.00 H new ATOM 0 HA LYS A 28 4.095 -5.249 6.349 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.709 -7.080 6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.240 -7.531 6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.421 -5.038 8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.043 -6.121 8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.359 -6.398 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.412 -7.870 9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.614 -7.074 8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.570 -5.729 9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.893 -7.547 10.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.529 -7.305 11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.573 -8.609 10.050 1.00 0.00 H new ATOM 413 N PHE A 29 3.104 -6.536 3.515 1.00 0.00 N ATOM 414 CA PHE A 29 3.553 -7.111 2.258 1.00 0.00 C ATOM 415 C PHE A 29 4.766 -6.327 1.756 1.00 0.00 C ATOM 416 O PHE A 29 5.755 -6.906 1.307 1.00 0.00 O ATOM 417 CB PHE A 29 2.383 -7.078 1.242 1.00 0.00 C ATOM 418 CG PHE A 29 2.763 -7.109 -0.227 1.00 0.00 C ATOM 419 CD1 PHE A 29 3.489 -6.079 -0.795 1.00 0.00 C ATOM 420 CD2 PHE A 29 2.372 -8.160 -1.041 1.00 0.00 C ATOM 421 CE1 PHE A 29 3.825 -6.093 -2.134 1.00 0.00 C ATOM 422 CE2 PHE A 29 2.703 -8.182 -2.382 1.00 0.00 C ATOM 423 CZ PHE A 29 3.432 -7.148 -2.929 1.00 0.00 C ATOM 0 H PHE A 29 2.122 -6.262 3.521 1.00 0.00 H new ATOM 0 HA PHE A 29 3.855 -8.150 2.391 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.731 -7.928 1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.798 -6.177 1.424 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.799 -5.247 -0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.800 -8.974 -0.621 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.395 -5.279 -2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.391 -9.009 -3.002 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.694 -7.164 -3.977 1.00 0.00 H new ATOM 433 N PHE A 30 4.672 -4.996 1.838 1.00 0.00 N ATOM 434 CA PHE A 30 5.744 -4.116 1.383 1.00 0.00 C ATOM 435 C PHE A 30 6.969 -4.212 2.267 1.00 0.00 C ATOM 436 O PHE A 30 8.037 -4.627 1.840 1.00 0.00 O ATOM 437 CB PHE A 30 5.278 -2.656 1.394 1.00 0.00 C ATOM 438 CG PHE A 30 4.196 -2.325 0.411 1.00 0.00 C ATOM 439 CD1 PHE A 30 4.094 -3.008 -0.785 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.287 -1.315 0.683 1.00 0.00 C ATOM 441 CE1 PHE A 30 3.103 -2.695 -1.694 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.294 -0.996 -0.221 1.00 0.00 C ATOM 443 CZ PHE A 30 2.200 -1.687 -1.411 1.00 0.00 C ATOM 0 H PHE A 30 3.861 -4.507 2.217 1.00 0.00 H new ATOM 0 HA PHE A 30 6.000 -4.436 0.373 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.924 -2.412 2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.137 -2.015 1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.797 -3.796 -1.012 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.356 -0.771 1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.033 -3.237 -2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.592 -0.207 0.003 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.423 -1.441 -2.120 1.00 0.00 H new ATOM 453 N GLN A 31 6.756 -3.901 3.528 1.00 0.00 N ATOM 454 CA GLN A 31 7.827 -3.836 4.511 1.00 0.00 C ATOM 455 C GLN A 31 8.624 -5.121 4.648 1.00 0.00 C ATOM 456 O GLN A 31 9.807 -5.167 4.308 1.00 0.00 O ATOM 457 CB GLN A 31 7.234 -3.462 5.872 1.00 0.00 C ATOM 458 CG GLN A 31 8.170 -2.641 6.736 1.00 0.00 C ATOM 459 CD GLN A 31 8.183 -1.187 6.323 1.00 0.00 C ATOM 460 OE1 GLN A 31 8.978 -0.874 5.309 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 7.474 -0.358 6.894 1.00 0.00 N flip ATOM 0 H GLN A 31 5.834 -3.685 3.906 1.00 0.00 H new ATOM 0 HA GLN A 31 8.527 -3.080 4.156 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.312 -2.902 5.716 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.966 -4.374 6.406 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.865 -2.720 7.779 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.179 -3.048 6.667 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.878 -0.645 7.670 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.483 0.616 6.591 1.00 0.00 H new ATOM 470 N THR A 32 7.984 -6.154 5.142 1.00 0.00 N ATOM 471 CA THR A 32 8.656 -7.423 5.357 1.00 0.00 C ATOM 472 C THR A 32 9.430 -7.887 4.124 1.00 0.00 C ATOM 473 O THR A 32 10.641 -8.101 4.179 1.00 0.00 O ATOM 474 CB THR A 32 7.655 -8.519 5.763 1.00 0.00 C ATOM 475 OG1 THR A 32 6.929 -8.113 6.929 1.00 0.00 O ATOM 476 CG2 THR A 32 8.372 -9.833 6.038 1.00 0.00 C ATOM 0 H THR A 32 6.998 -6.145 5.404 1.00 0.00 H new ATOM 0 HA THR A 32 9.367 -7.257 6.167 1.00 0.00 H new ATOM 0 HB THR A 32 6.960 -8.669 4.937 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.293 -8.815 7.179 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.644 -10.592 6.323 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.899 -10.155 5.140 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.088 -9.694 6.848 1.00 0.00 H new ATOM 484 N SER A 33 8.718 -8.036 3.017 1.00 0.00 N ATOM 485 CA SER A 33 9.307 -8.527 1.773 1.00 0.00 C ATOM 486 C SER A 33 10.098 -7.492 0.974 1.00 0.00 C ATOM 487 O SER A 33 11.286 -7.679 0.707 1.00 0.00 O ATOM 488 CB SER A 33 8.212 -9.120 0.892 1.00 0.00 C ATOM 489 OG SER A 33 8.763 -9.778 -0.235 1.00 0.00 O ATOM 0 H SER A 33 7.723 -7.823 2.952 1.00 0.00 H new ATOM 0 HA SER A 33 10.035 -9.281 2.074 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.616 -9.824 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.539 -8.329 0.562 1.00 0.00 H new ATOM 0 HG SER A 33 9.127 -9.113 -0.856 1.00 0.00 H new ATOM 495 N GLY A 34 9.441 -6.403 0.597 1.00 0.00 N ATOM 496 CA GLY A 34 10.099 -5.441 -0.267 1.00 0.00 C ATOM 497 C GLY A 34 10.740 -4.235 0.401 1.00 0.00 C ATOM 498 O GLY A 34 11.960 -4.120 0.432 1.00 0.00 O ATOM 0 H GLY A 34 8.485 -6.171 0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.871 -5.965 -0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.367 -5.079 -0.989 1.00 0.00 H new ATOM 502 N LEU A 35 9.927 -3.359 0.960 1.00 0.00 N ATOM 503 CA LEU A 35 10.410 -2.131 1.571 1.00 0.00 C ATOM 504 C LEU A 35 11.515 -2.383 2.598 1.00 0.00 C ATOM 505 O LEU A 35 12.295 -1.483 2.908 1.00 0.00 O ATOM 506 CB LEU A 35 9.232 -1.403 2.208 1.00 0.00 C ATOM 507 CG LEU A 35 8.589 -0.337 1.325 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.163 -0.930 -0.009 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.407 0.304 2.037 1.00 0.00 C ATOM 0 H LEU A 35 8.915 -3.476 1.004 1.00 0.00 H new ATOM 0 HA LEU A 35 10.855 -1.512 0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.473 -2.137 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.569 -0.935 3.133 1.00 0.00 H new ATOM 0 HG LEU A 35 9.329 0.439 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.707 -0.154 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.035 -1.334 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.441 -1.728 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.961 1.061 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.664 -0.459 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.748 0.770 2.962 1.00 0.00 H new ATOM 521 N SER A 36 11.561 -3.604 3.123 1.00 0.00 N ATOM 522 CA SER A 36 12.566 -4.000 4.120 1.00 0.00 C ATOM 523 C SER A 36 13.915 -3.283 3.965 1.00 0.00 C ATOM 524 O SER A 36 14.417 -2.712 4.932 1.00 0.00 O ATOM 525 CB SER A 36 12.786 -5.513 4.062 1.00 0.00 C ATOM 526 OG SER A 36 13.240 -5.913 2.781 1.00 0.00 O ATOM 0 H SER A 36 10.909 -4.348 2.875 1.00 0.00 H new ATOM 0 HA SER A 36 12.165 -3.701 5.088 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.514 -5.807 4.818 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.855 -6.028 4.299 1.00 0.00 H new ATOM 0 HG SER A 36 13.374 -6.884 2.770 1.00 0.00 H new ATOM 532 N LYS A 37 14.506 -3.304 2.774 1.00 0.00 N ATOM 533 CA LYS A 37 15.803 -2.645 2.577 1.00 0.00 C ATOM 534 C LYS A 37 16.045 -2.251 1.121 1.00 0.00 C ATOM 535 O LYS A 37 17.128 -2.480 0.583 1.00 0.00 O ATOM 536 CB LYS A 37 16.932 -3.564 3.048 1.00 0.00 C ATOM 537 CG LYS A 37 16.928 -3.820 4.543 1.00 0.00 C ATOM 538 CD LYS A 37 17.151 -2.538 5.328 1.00 0.00 C ATOM 539 CE LYS A 37 17.052 -2.777 6.826 1.00 0.00 C ATOM 540 NZ LYS A 37 17.210 -1.516 7.603 1.00 0.00 N ATOM 0 H LYS A 37 14.122 -3.758 1.945 1.00 0.00 H new ATOM 0 HA LYS A 37 15.788 -1.729 3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.854 -4.517 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.888 -3.123 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.977 -4.266 4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.707 -4.541 4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.133 -2.129 5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.414 -1.794 5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.087 -3.228 7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.818 -3.489 7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.136 -1.723 8.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.141 -1.098 7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.463 -0.845 7.331 1.00 0.00 H new ATOM 554 N MET A 38 15.043 -1.657 0.489 1.00 0.00 N ATOM 555 CA MET A 38 15.164 -1.232 -0.897 1.00 0.00 C ATOM 556 C MET A 38 15.296 0.280 -1.020 1.00 0.00 C ATOM 557 O MET A 38 15.055 1.013 -0.062 1.00 0.00 O ATOM 558 CB MET A 38 13.948 -1.698 -1.663 1.00 0.00 C ATOM 559 CG MET A 38 13.619 -3.150 -1.405 1.00 0.00 C ATOM 560 SD MET A 38 14.619 -4.276 -2.393 1.00 0.00 S ATOM 561 CE MET A 38 14.200 -5.840 -1.634 1.00 0.00 C ATOM 0 H MET A 38 14.137 -1.459 0.914 1.00 0.00 H new ATOM 0 HA MET A 38 16.070 -1.676 -1.310 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.092 -1.081 -1.389 1.00 0.00 H new ATOM 0 HB3 MET A 38 14.117 -1.552 -2.730 1.00 0.00 H new ATOM 0 HG2 MET A 38 13.769 -3.370 -0.348 1.00 0.00 H new ATOM 0 HG3 MET A 38 12.565 -3.323 -1.620 1.00 0.00 H new ATOM 0 HE1 MET A 38 14.713 -6.647 -2.157 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.509 -5.831 -0.589 1.00 0.00 H new ATOM 0 HE3 MET A 38 13.123 -5.996 -1.693 1.00 0.00 H new ATOM 571 N SER A 39 15.680 0.743 -2.210 1.00 0.00 N ATOM 572 CA SER A 39 15.843 2.164 -2.474 1.00 0.00 C ATOM 573 C SER A 39 14.498 2.847 -2.694 1.00 0.00 C ATOM 574 O SER A 39 13.484 2.183 -2.901 1.00 0.00 O ATOM 575 CB SER A 39 16.710 2.358 -3.717 1.00 0.00 C ATOM 576 OG SER A 39 17.991 1.777 -3.543 1.00 0.00 O ATOM 0 H SER A 39 15.884 0.144 -3.010 1.00 0.00 H new ATOM 0 HA SER A 39 16.321 2.614 -1.604 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.218 1.910 -4.580 1.00 0.00 H new ATOM 0 HB3 SER A 39 16.816 3.422 -3.928 1.00 0.00 H new ATOM 0 HG SER A 39 18.525 1.914 -4.353 1.00 0.00 H new ATOM 582 N ALA A 40 14.502 4.176 -2.650 1.00 0.00 N ATOM 583 CA ALA A 40 13.290 4.960 -2.871 1.00 0.00 C ATOM 584 C ALA A 40 12.732 4.728 -4.276 1.00 0.00 C ATOM 585 O ALA A 40 11.522 4.605 -4.467 1.00 0.00 O ATOM 586 CB ALA A 40 13.569 6.438 -2.649 1.00 0.00 C ATOM 0 H ALA A 40 15.334 4.735 -2.463 1.00 0.00 H new ATOM 0 HA ALA A 40 12.539 4.632 -2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.656 7.010 -2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.911 6.594 -1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.339 6.771 -3.344 1.00 0.00 H new ATOM 592 N SER A 41 13.630 4.681 -5.259 1.00 0.00 N ATOM 593 CA SER A 41 13.250 4.494 -6.655 1.00 0.00 C ATOM 594 C SER A 41 12.280 3.339 -6.846 1.00 0.00 C ATOM 595 O SER A 41 11.198 3.525 -7.403 1.00 0.00 O ATOM 596 CB SER A 41 14.497 4.263 -7.510 1.00 0.00 C ATOM 597 OG SER A 41 15.207 3.114 -7.078 1.00 0.00 O ATOM 0 H SER A 41 14.635 4.771 -5.110 1.00 0.00 H new ATOM 0 HA SER A 41 12.741 5.404 -6.972 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.209 4.145 -8.554 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.146 5.137 -7.456 1.00 0.00 H new ATOM 0 HG SER A 41 15.999 2.987 -7.642 1.00 0.00 H new ATOM 603 N GLN A 42 12.652 2.150 -6.393 1.00 0.00 N ATOM 604 CA GLN A 42 11.770 1.002 -6.566 1.00 0.00 C ATOM 605 C GLN A 42 10.419 1.278 -5.923 1.00 0.00 C ATOM 606 O GLN A 42 9.389 0.764 -6.358 1.00 0.00 O ATOM 607 CB GLN A 42 12.390 -0.301 -6.018 1.00 0.00 C ATOM 608 CG GLN A 42 11.942 -0.681 -4.621 1.00 0.00 C ATOM 609 CD GLN A 42 12.373 -2.079 -4.229 1.00 0.00 C ATOM 610 OE1 GLN A 42 13.482 -2.509 -4.548 1.00 0.00 O ATOM 611 NE2 GLN A 42 11.483 -2.812 -3.562 1.00 0.00 N ATOM 0 H GLN A 42 13.532 1.956 -5.916 1.00 0.00 H new ATOM 0 HA GLN A 42 11.628 0.853 -7.636 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.144 -1.117 -6.697 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.475 -0.199 -6.021 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.349 0.034 -3.906 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.856 -0.610 -4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.576 -2.415 -3.318 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.709 -3.770 -3.295 1.00 0.00 H new ATOM 620 N VAL A 43 10.430 2.123 -4.909 1.00 0.00 N ATOM 621 CA VAL A 43 9.213 2.430 -4.197 1.00 0.00 C ATOM 622 C VAL A 43 8.189 3.018 -5.148 1.00 0.00 C ATOM 623 O VAL A 43 6.995 2.756 -5.030 1.00 0.00 O ATOM 624 CB VAL A 43 9.443 3.406 -3.038 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.221 3.437 -2.143 1.00 0.00 C ATOM 626 CG2 VAL A 43 10.685 3.027 -2.251 1.00 0.00 C ATOM 0 H VAL A 43 11.262 2.603 -4.565 1.00 0.00 H new ATOM 0 HA VAL A 43 8.846 1.494 -3.777 1.00 0.00 H new ATOM 0 HB VAL A 43 9.603 4.405 -3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.390 4.132 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.355 3.761 -2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.038 2.440 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 43 10.828 3.734 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.566 2.022 -1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.554 3.052 -2.908 1.00 0.00 H new ATOM 636 N LYS A 44 8.659 3.825 -6.088 1.00 0.00 N ATOM 637 CA LYS A 44 7.774 4.419 -7.074 1.00 0.00 C ATOM 638 C LYS A 44 7.028 3.324 -7.815 1.00 0.00 C ATOM 639 O LYS A 44 5.820 3.412 -8.027 1.00 0.00 O ATOM 640 CB LYS A 44 8.568 5.267 -8.067 1.00 0.00 C ATOM 641 CG LYS A 44 9.054 6.591 -7.498 1.00 0.00 C ATOM 642 CD LYS A 44 10.419 6.981 -8.053 1.00 0.00 C ATOM 643 CE LYS A 44 10.481 6.839 -9.566 1.00 0.00 C ATOM 644 NZ LYS A 44 11.791 7.289 -10.114 1.00 0.00 N ATOM 0 H LYS A 44 9.641 4.081 -6.187 1.00 0.00 H new ATOM 0 HA LYS A 44 7.060 5.063 -6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.428 4.694 -8.412 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.946 5.465 -8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.331 7.373 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.110 6.521 -6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.642 8.011 -7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.187 6.356 -7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.312 5.798 -9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.679 7.422 -10.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.792 7.176 -11.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.942 8.290 -9.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.555 6.716 -9.702 1.00 0.00 H new ATOM 658 N ASP A 45 7.768 2.292 -8.207 1.00 0.00 N ATOM 659 CA ASP A 45 7.196 1.160 -8.910 1.00 0.00 C ATOM 660 C ASP A 45 6.342 0.349 -7.952 1.00 0.00 C ATOM 661 O ASP A 45 5.220 -0.045 -8.271 1.00 0.00 O ATOM 662 CB ASP A 45 8.307 0.284 -9.481 1.00 0.00 C ATOM 663 CG ASP A 45 8.371 0.335 -10.994 1.00 0.00 C ATOM 664 OD1 ASP A 45 7.656 -0.455 -11.646 1.00 0.00 O ATOM 665 OD2 ASP A 45 9.138 1.163 -11.529 1.00 0.00 O ATOM 0 H ASP A 45 8.773 2.221 -8.046 1.00 0.00 H new ATOM 0 HA ASP A 45 6.576 1.523 -9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.264 0.604 -9.070 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.152 -0.747 -9.162 1.00 0.00 H new ATOM 670 N ILE A 46 6.893 0.106 -6.768 1.00 0.00 N ATOM 671 CA ILE A 46 6.207 -0.641 -5.741 1.00 0.00 C ATOM 672 C ILE A 46 4.870 0.030 -5.413 1.00 0.00 C ATOM 673 O ILE A 46 3.810 -0.583 -5.527 1.00 0.00 O ATOM 674 CB ILE A 46 7.123 -0.758 -4.500 1.00 0.00 C ATOM 675 CG1 ILE A 46 8.045 -1.965 -4.653 1.00 0.00 C ATOM 676 CG2 ILE A 46 6.344 -0.851 -3.190 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.746 -2.059 -5.995 1.00 0.00 C ATOM 0 H ILE A 46 7.825 0.424 -6.502 1.00 0.00 H new ATOM 0 HA ILE A 46 5.984 -1.649 -6.090 1.00 0.00 H new ATOM 0 HB ILE A 46 7.711 0.158 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.798 -1.932 -3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.462 -2.873 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.042 -0.931 -2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.732 0.043 -3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.701 -1.731 -3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.379 -2.946 -6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.003 -2.127 -6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.360 -1.172 -6.148 1.00 0.00 H new ATOM 689 N PHE A 47 4.938 1.292 -5.001 1.00 0.00 N ATOM 690 CA PHE A 47 3.749 2.073 -4.663 1.00 0.00 C ATOM 691 C PHE A 47 2.607 1.823 -5.637 1.00 0.00 C ATOM 692 O PHE A 47 1.434 1.869 -5.265 1.00 0.00 O ATOM 693 CB PHE A 47 4.110 3.552 -4.674 1.00 0.00 C ATOM 694 CG PHE A 47 3.093 4.436 -4.039 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.623 4.148 -2.778 1.00 0.00 C ATOM 696 CD2 PHE A 47 2.630 5.570 -4.685 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.706 4.968 -2.165 1.00 0.00 C ATOM 698 CE2 PHE A 47 1.714 6.400 -4.071 1.00 0.00 C ATOM 699 CZ PHE A 47 1.255 6.095 -2.808 1.00 0.00 C ATOM 0 H PHE A 47 5.814 1.802 -4.892 1.00 0.00 H new ATOM 0 HA PHE A 47 3.411 1.765 -3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.062 3.685 -4.160 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.257 3.870 -5.706 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.979 3.267 -2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.988 5.807 -5.676 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.340 4.726 -1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.358 7.285 -4.578 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.540 6.743 -2.323 1.00 0.00 H new ATOM 709 N ARG A 48 2.960 1.561 -6.884 1.00 0.00 N ATOM 710 CA ARG A 48 1.968 1.311 -7.917 1.00 0.00 C ATOM 711 C ARG A 48 1.000 0.210 -7.498 1.00 0.00 C ATOM 712 O ARG A 48 -0.107 0.117 -8.026 1.00 0.00 O ATOM 713 CB ARG A 48 2.653 0.960 -9.231 1.00 0.00 C ATOM 714 CG ARG A 48 3.644 2.020 -9.674 1.00 0.00 C ATOM 715 CD ARG A 48 3.020 3.412 -9.675 1.00 0.00 C ATOM 716 NE ARG A 48 1.819 3.462 -10.506 1.00 0.00 N ATOM 717 CZ ARG A 48 1.411 4.544 -11.169 1.00 0.00 C ATOM 718 NH1 ARG A 48 2.089 5.682 -11.092 1.00 0.00 N ATOM 719 NH2 ARG A 48 0.313 4.488 -11.911 1.00 0.00 N ATOM 0 H ARG A 48 3.927 1.516 -7.206 1.00 0.00 H new ATOM 0 HA ARG A 48 1.387 2.222 -8.060 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.170 0.007 -9.123 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.898 0.827 -10.006 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.509 2.010 -9.010 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.007 1.783 -10.674 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.769 3.700 -8.654 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.747 4.137 -10.041 1.00 0.00 H new ATOM 0 HE ARG A 48 1.257 2.614 -10.584 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.932 5.736 -10.521 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.767 6.503 -11.604 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.217 3.619 -11.973 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.002 5.314 -12.419 1.00 0.00 H new ATOM 733 N PHE A 49 1.419 -0.630 -6.546 1.00 0.00 N ATOM 734 CA PHE A 49 0.556 -1.700 -6.046 1.00 0.00 C ATOM 735 C PHE A 49 -0.793 -1.112 -5.665 1.00 0.00 C ATOM 736 O PHE A 49 -1.829 -1.474 -6.224 1.00 0.00 O ATOM 737 CB PHE A 49 1.193 -2.385 -4.835 1.00 0.00 C ATOM 738 CG PHE A 49 0.391 -3.537 -4.296 1.00 0.00 C ATOM 739 CD1 PHE A 49 0.458 -4.782 -4.901 1.00 0.00 C ATOM 740 CD2 PHE A 49 -0.429 -3.379 -3.186 1.00 0.00 C ATOM 741 CE1 PHE A 49 -0.274 -5.848 -4.412 1.00 0.00 C ATOM 742 CE2 PHE A 49 -1.163 -4.443 -2.693 1.00 0.00 C ATOM 743 CZ PHE A 49 -1.084 -5.677 -3.306 1.00 0.00 C ATOM 0 H PHE A 49 2.341 -0.589 -6.111 1.00 0.00 H new ATOM 0 HA PHE A 49 0.423 -2.448 -6.827 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.184 -2.743 -5.112 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.330 -1.648 -4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.090 -4.921 -5.766 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.494 -2.415 -2.703 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.213 -6.813 -4.894 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.797 -4.308 -1.829 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.655 -6.509 -2.921 1.00 0.00 H new ATOM 753 N ILE A 50 -0.764 -0.199 -4.703 1.00 0.00 N ATOM 754 CA ILE A 50 -1.968 0.486 -4.275 1.00 0.00 C ATOM 755 C ILE A 50 -2.359 1.519 -5.339 1.00 0.00 C ATOM 756 O ILE A 50 -2.559 1.154 -6.498 1.00 0.00 O ATOM 757 CB ILE A 50 -1.806 1.132 -2.871 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.496 1.930 -2.731 1.00 0.00 C ATOM 759 CG2 ILE A 50 -1.896 0.071 -1.804 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.259 2.460 -1.325 1.00 0.00 C ATOM 0 H ILE A 50 0.082 0.082 -4.207 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.772 -0.243 -4.174 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.621 1.846 -2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.341 1.293 -3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.513 2.767 -3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.782 0.531 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.866 -0.422 -1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.105 -0.664 -1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.681 3.012 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.077 3.123 -1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.210 1.626 -0.625 1.00 0.00 H new ATOM 772 N ASP A 51 -2.474 2.793 -4.979 1.00 0.00 N ATOM 773 CA ASP A 51 -2.813 3.813 -5.953 1.00 0.00 C ATOM 774 C ASP A 51 -1.666 4.809 -6.067 1.00 0.00 C ATOM 775 O ASP A 51 -0.890 4.974 -5.130 1.00 0.00 O ATOM 776 CB ASP A 51 -4.113 4.522 -5.559 1.00 0.00 C ATOM 777 CG ASP A 51 -5.340 3.712 -5.914 1.00 0.00 C ATOM 778 OD1 ASP A 51 -5.794 3.799 -7.074 1.00 0.00 O ATOM 779 OD2 ASP A 51 -5.851 2.994 -5.031 1.00 0.00 O ATOM 0 H ASP A 51 -2.338 3.137 -4.029 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.970 3.343 -6.924 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.107 4.717 -4.487 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.162 5.490 -6.059 1.00 0.00 H new ATOM 784 N ASN A 52 -1.516 5.428 -7.228 1.00 0.00 N ATOM 785 CA ASN A 52 -0.463 6.414 -7.420 1.00 0.00 C ATOM 786 C ASN A 52 -1.055 7.749 -7.845 1.00 0.00 C ATOM 787 O ASN A 52 -0.583 8.810 -7.437 1.00 0.00 O ATOM 788 CB ASN A 52 0.540 5.936 -8.469 1.00 0.00 C ATOM 789 CG ASN A 52 1.718 6.873 -8.604 1.00 0.00 C ATOM 790 OD1 ASN A 52 2.691 6.788 -7.854 1.00 0.00 O ATOM 791 ND2 ASN A 52 1.635 7.768 -9.571 1.00 0.00 N ATOM 0 H ASN A 52 -2.105 5.267 -8.045 1.00 0.00 H new ATOM 0 HA ASN A 52 0.057 6.542 -6.470 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.898 4.942 -8.200 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.039 5.844 -9.433 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.398 8.428 -9.722 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.808 7.800 -10.167 1.00 0.00 H new ATOM 798 N ASP A 53 -2.094 7.688 -8.673 1.00 0.00 N ATOM 799 CA ASP A 53 -2.753 8.889 -9.157 1.00 0.00 C ATOM 800 C ASP A 53 -4.270 8.742 -9.114 1.00 0.00 C ATOM 801 O ASP A 53 -4.824 7.741 -9.565 1.00 0.00 O ATOM 802 CB ASP A 53 -2.305 9.200 -10.583 1.00 0.00 C ATOM 803 CG ASP A 53 -2.528 8.035 -11.528 1.00 0.00 C ATOM 804 OD1 ASP A 53 -1.631 7.172 -11.627 1.00 0.00 O ATOM 805 OD2 ASP A 53 -3.599 7.986 -12.168 1.00 0.00 O ATOM 0 H ASP A 53 -2.495 6.817 -9.021 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.469 9.712 -8.501 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.849 10.071 -10.950 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.247 9.463 -10.579 1.00 0.00 H new ATOM 810 N GLN A 54 -4.926 9.770 -8.591 1.00 0.00 N ATOM 811 CA GLN A 54 -6.369 9.803 -8.482 1.00 0.00 C ATOM 812 C GLN A 54 -6.855 11.247 -8.518 1.00 0.00 C ATOM 813 O GLN A 54 -7.710 11.604 -9.328 1.00 0.00 O ATOM 814 CB GLN A 54 -6.812 9.137 -7.185 1.00 0.00 C ATOM 815 CG GLN A 54 -6.030 7.880 -6.867 1.00 0.00 C ATOM 816 CD GLN A 54 -6.693 7.005 -5.819 1.00 0.00 C ATOM 817 OE1 GLN A 54 -6.387 7.262 -4.552 1.00 0.00 O flip ATOM 818 NE2 GLN A 54 -7.475 6.112 -6.144 1.00 0.00 N flip ATOM 0 H GLN A 54 -4.465 10.605 -8.230 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.801 9.259 -9.322 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.701 9.845 -6.363 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.872 8.891 -7.253 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.899 7.302 -7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.035 8.158 -6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.682 5.949 -7.129 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.916 5.535 -5.428 1.00 0.00 H new ATOM 827 N SER A 55 -6.304 12.073 -7.636 1.00 0.00 N ATOM 828 CA SER A 55 -6.657 13.486 -7.583 1.00 0.00 C ATOM 829 C SER A 55 -5.485 14.299 -7.043 1.00 0.00 C ATOM 830 O SER A 55 -5.670 15.213 -6.240 1.00 0.00 O ATOM 831 CB SER A 55 -7.888 13.696 -6.700 1.00 0.00 C ATOM 832 OG SER A 55 -8.994 12.957 -7.183 1.00 0.00 O ATOM 0 H SER A 55 -5.609 11.787 -6.946 1.00 0.00 H new ATOM 0 HA SER A 55 -6.889 13.824 -8.593 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.662 13.392 -5.678 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.141 14.756 -6.669 1.00 0.00 H new ATOM 0 HG SER A 55 -9.767 13.107 -6.600 1.00 0.00 H new ATOM 838 N GLY A 56 -4.280 13.961 -7.495 1.00 0.00 N ATOM 839 CA GLY A 56 -3.095 14.658 -7.029 1.00 0.00 C ATOM 840 C GLY A 56 -2.408 13.915 -5.901 1.00 0.00 C ATOM 841 O GLY A 56 -1.204 14.058 -5.685 1.00 0.00 O ATOM 0 H GLY A 56 -4.104 13.220 -8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.398 14.784 -7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.371 15.657 -6.691 1.00 0.00 H new ATOM 845 N TYR A 57 -3.192 13.121 -5.188 1.00 0.00 N ATOM 846 CA TYR A 57 -2.716 12.349 -4.045 1.00 0.00 C ATOM 847 C TYR A 57 -3.762 11.300 -3.708 1.00 0.00 C ATOM 848 O TYR A 57 -4.876 11.336 -4.230 1.00 0.00 O ATOM 849 CB TYR A 57 -2.503 13.249 -2.812 1.00 0.00 C ATOM 850 CG TYR A 57 -2.853 14.696 -3.032 1.00 0.00 C ATOM 851 CD1 TYR A 57 -4.161 15.098 -2.908 1.00 0.00 C ATOM 852 CD2 TYR A 57 -1.896 15.640 -3.377 1.00 0.00 C ATOM 853 CE1 TYR A 57 -4.528 16.412 -3.118 1.00 0.00 C ATOM 854 CE2 TYR A 57 -2.246 16.960 -3.586 1.00 0.00 C ATOM 855 CZ TYR A 57 -3.565 17.342 -3.456 1.00 0.00 C ATOM 856 OH TYR A 57 -3.924 18.653 -3.665 1.00 0.00 O ATOM 0 H TYR A 57 -4.184 12.992 -5.386 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.762 11.889 -4.304 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.103 12.864 -1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.459 13.183 -2.505 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.916 14.373 -2.641 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.864 15.339 -3.483 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.561 16.711 -3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.492 17.687 -3.849 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.128 19.178 -3.894 1.00 0.00 H new ATOM 866 N LEU A 58 -3.410 10.375 -2.842 1.00 0.00 N ATOM 867 CA LEU A 58 -4.361 9.361 -2.433 1.00 0.00 C ATOM 868 C LEU A 58 -4.892 9.738 -1.065 1.00 0.00 C ATOM 869 O LEU A 58 -4.263 10.518 -0.356 1.00 0.00 O ATOM 870 CB LEU A 58 -3.726 7.978 -2.383 1.00 0.00 C ATOM 871 CG LEU A 58 -2.740 7.668 -3.502 1.00 0.00 C ATOM 872 CD1 LEU A 58 -2.069 6.339 -3.229 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.421 7.660 -4.852 1.00 0.00 C ATOM 0 H LEU A 58 -2.488 10.302 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.169 9.316 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.212 7.868 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.520 7.232 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.984 8.453 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.363 6.117 -4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.537 6.389 -2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.823 5.554 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.689 7.436 -5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.203 6.901 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.863 8.638 -5.042 1.00 0.00 H new ATOM 885 N ASP A 59 -6.042 9.207 -0.691 1.00 0.00 N ATOM 886 CA ASP A 59 -6.609 9.531 0.605 1.00 0.00 C ATOM 887 C ASP A 59 -7.469 8.395 1.138 1.00 0.00 C ATOM 888 O ASP A 59 -7.924 7.537 0.382 1.00 0.00 O ATOM 889 CB ASP A 59 -7.420 10.825 0.514 1.00 0.00 C ATOM 890 CG ASP A 59 -7.908 11.299 1.869 1.00 0.00 C ATOM 891 OD1 ASP A 59 -8.929 10.766 2.352 1.00 0.00 O ATOM 892 OD2 ASP A 59 -7.268 12.203 2.448 1.00 0.00 O ATOM 0 H ASP A 59 -6.594 8.561 -1.255 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.788 9.676 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.807 11.603 0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.276 10.669 -0.143 1.00 0.00 H new ATOM 897 N GLY A 60 -7.698 8.411 2.444 1.00 0.00 N ATOM 898 CA GLY A 60 -8.448 7.347 3.096 1.00 0.00 C ATOM 899 C GLY A 60 -9.648 6.854 2.302 1.00 0.00 C ATOM 900 O GLY A 60 -9.967 5.664 2.327 1.00 0.00 O ATOM 0 H GLY A 60 -7.376 9.148 3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.779 6.507 3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.790 7.702 4.068 1.00 0.00 H new ATOM 904 N ASP A 61 -10.303 7.758 1.585 1.00 0.00 N ATOM 905 CA ASP A 61 -11.484 7.398 0.808 1.00 0.00 C ATOM 906 C ASP A 61 -11.085 6.653 -0.454 1.00 0.00 C ATOM 907 O ASP A 61 -11.665 5.628 -0.810 1.00 0.00 O ATOM 908 CB ASP A 61 -12.272 8.646 0.418 1.00 0.00 C ATOM 909 CG ASP A 61 -12.307 9.683 1.523 1.00 0.00 C ATOM 910 OD1 ASP A 61 -13.214 9.610 2.378 1.00 0.00 O ATOM 911 OD2 ASP A 61 -11.427 10.571 1.532 1.00 0.00 O ATOM 0 H ASP A 61 -10.039 8.741 1.525 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.108 6.755 1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.828 9.087 -0.475 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.292 8.361 0.160 1.00 0.00 H new ATOM 916 N GLU A 62 -10.080 7.200 -1.119 1.00 0.00 N ATOM 917 CA GLU A 62 -9.581 6.657 -2.367 1.00 0.00 C ATOM 918 C GLU A 62 -8.730 5.410 -2.147 1.00 0.00 C ATOM 919 O GLU A 62 -8.662 4.537 -3.010 1.00 0.00 O ATOM 920 CB GLU A 62 -8.781 7.729 -3.093 1.00 0.00 C ATOM 921 CG GLU A 62 -9.497 9.062 -3.176 1.00 0.00 C ATOM 922 CD GLU A 62 -10.605 9.071 -4.210 1.00 0.00 C ATOM 923 OE1 GLU A 62 -10.305 9.311 -5.399 1.00 0.00 O ATOM 924 OE2 GLU A 62 -11.772 8.835 -3.832 1.00 0.00 O ATOM 0 H GLU A 62 -9.587 8.036 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.433 6.355 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.828 7.868 -2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.555 7.383 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.916 9.306 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.775 9.842 -3.417 1.00 0.00 H new ATOM 931 N LEU A 63 -8.070 5.337 -0.993 1.00 0.00 N ATOM 932 CA LEU A 63 -7.220 4.190 -0.667 1.00 0.00 C ATOM 933 C LEU A 63 -7.918 2.876 -1.005 1.00 0.00 C ATOM 934 O LEU A 63 -7.287 1.930 -1.477 1.00 0.00 O ATOM 935 CB LEU A 63 -6.843 4.206 0.820 1.00 0.00 C ATOM 936 CG LEU A 63 -5.890 5.328 1.237 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.321 5.072 2.623 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.775 5.494 0.215 1.00 0.00 C ATOM 0 H LEU A 63 -8.106 6.055 -0.269 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.314 4.267 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.756 4.289 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.386 3.249 1.073 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.458 6.258 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.647 5.884 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.135 5.018 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.773 4.130 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.109 6.297 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.211 4.564 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.205 5.740 -0.756 1.00 0.00 H new ATOM 950 N LYS A 64 -9.224 2.824 -0.760 1.00 0.00 N ATOM 951 CA LYS A 64 -10.002 1.630 -1.056 1.00 0.00 C ATOM 952 C LYS A 64 -9.931 1.247 -2.527 1.00 0.00 C ATOM 953 O LYS A 64 -10.218 0.106 -2.889 1.00 0.00 O ATOM 954 CB LYS A 64 -11.468 1.888 -0.707 1.00 0.00 C ATOM 955 CG LYS A 64 -11.708 2.463 0.680 1.00 0.00 C ATOM 956 CD LYS A 64 -13.191 2.669 0.935 1.00 0.00 C ATOM 957 CE LYS A 64 -13.588 4.124 0.759 1.00 0.00 C ATOM 958 NZ LYS A 64 -15.015 4.358 1.118 1.00 0.00 N ATOM 0 H LYS A 64 -9.762 3.592 -0.359 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.585 0.815 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.886 2.573 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.017 0.950 -0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.296 1.791 1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.183 3.413 0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.769 2.048 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.436 2.343 1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.950 4.752 1.380 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.420 4.424 -0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.246 5.363 0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.626 3.778 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.170 4.096 2.113 1.00 0.00 H new ATOM 972 N TYR A 65 -9.551 2.188 -3.375 1.00 0.00 N ATOM 973 CA TYR A 65 -9.457 1.909 -4.803 1.00 0.00 C ATOM 974 C TYR A 65 -8.211 1.099 -5.147 1.00 0.00 C ATOM 975 O TYR A 65 -8.136 0.506 -6.222 1.00 0.00 O ATOM 976 CB TYR A 65 -9.480 3.204 -5.617 1.00 0.00 C ATOM 977 CG TYR A 65 -10.614 4.141 -5.240 1.00 0.00 C ATOM 978 CD1 TYR A 65 -11.680 3.697 -4.465 1.00 0.00 C ATOM 979 CD2 TYR A 65 -10.604 5.471 -5.639 1.00 0.00 C ATOM 980 CE1 TYR A 65 -12.705 4.552 -4.101 1.00 0.00 C ATOM 981 CE2 TYR A 65 -11.627 6.330 -5.284 1.00 0.00 C ATOM 982 CZ TYR A 65 -12.674 5.866 -4.515 1.00 0.00 C ATOM 983 OH TYR A 65 -13.691 6.721 -4.156 1.00 0.00 O ATOM 0 H TYR A 65 -9.305 3.141 -3.107 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.329 1.310 -5.065 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -8.531 3.724 -5.483 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -9.562 2.956 -6.675 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.708 2.667 -4.142 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.784 5.840 -6.236 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -13.524 4.192 -3.496 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -11.607 7.360 -5.607 1.00 0.00 H new ATOM 0 HH TYR A 65 -13.320 7.608 -3.964 1.00 0.00 H new ATOM 993 N PHE A 66 -7.236 1.052 -4.236 1.00 0.00 N ATOM 994 CA PHE A 66 -5.999 0.309 -4.489 1.00 0.00 C ATOM 995 C PHE A 66 -6.329 -1.080 -5.037 1.00 0.00 C ATOM 996 O PHE A 66 -5.849 -1.471 -6.101 1.00 0.00 O ATOM 997 CB PHE A 66 -5.140 0.245 -3.191 1.00 0.00 C ATOM 998 CG PHE A 66 -4.818 -1.140 -2.661 1.00 0.00 C ATOM 999 CD1 PHE A 66 -4.162 -2.076 -3.449 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -5.168 -1.496 -1.371 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -3.870 -3.335 -2.961 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -4.876 -2.750 -0.875 1.00 0.00 C ATOM 1003 CZ PHE A 66 -4.228 -3.673 -1.670 1.00 0.00 C ATOM 0 H PHE A 66 -7.277 1.513 -3.327 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.406 0.825 -5.244 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.201 0.766 -3.377 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.661 0.797 -2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.876 -1.816 -4.458 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.678 -0.781 -0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.363 -4.054 -3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.155 -3.009 0.136 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.001 -4.656 -1.285 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.148 -1.814 -4.299 1.00 0.00 N ATOM 1014 CA LEU A 67 -7.564 -3.139 -4.717 1.00 0.00 C ATOM 1015 C LEU A 67 -8.337 -3.042 -6.018 1.00 0.00 C ATOM 1016 O LEU A 67 -8.187 -3.871 -6.913 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.454 -3.759 -3.641 1.00 0.00 C ATOM 1018 CG LEU A 67 -7.708 -4.347 -2.446 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -8.689 -4.751 -1.359 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -6.866 -5.535 -2.879 1.00 0.00 C ATOM 0 H LEU A 67 -7.537 -1.511 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.683 -3.764 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.145 -2.998 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.056 -4.545 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.041 -3.586 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.143 -5.169 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.251 -3.876 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.378 -5.499 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.341 -5.943 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.512 -6.302 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.141 -5.214 -3.627 1.00 0.00 H new ATOM 1032 N GLN A 68 -9.124 -1.984 -6.126 1.00 0.00 N ATOM 1033 CA GLN A 68 -9.946 -1.757 -7.298 1.00 0.00 C ATOM 1034 C GLN A 68 -9.071 -1.609 -8.530 1.00 0.00 C ATOM 1035 O GLN A 68 -9.440 -2.048 -9.618 1.00 0.00 O ATOM 1036 CB GLN A 68 -10.832 -0.533 -7.079 1.00 0.00 C ATOM 1037 CG GLN A 68 -12.015 -0.826 -6.176 1.00 0.00 C ATOM 1038 CD GLN A 68 -13.020 0.309 -6.136 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -13.170 1.054 -7.104 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -13.717 0.444 -5.013 1.00 0.00 N ATOM 0 H GLN A 68 -9.209 -1.264 -5.408 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.597 -2.616 -7.461 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.236 0.269 -6.643 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.194 -0.174 -8.042 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.512 -1.733 -6.519 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.655 -1.022 -5.166 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.560 -0.197 -4.235 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.409 1.188 -4.929 1.00 0.00 H new ATOM 1049 N LYS A 69 -7.916 -0.979 -8.372 1.00 0.00 N ATOM 1050 CA LYS A 69 -6.991 -0.856 -9.481 1.00 0.00 C ATOM 1051 C LYS A 69 -6.580 -2.250 -9.958 1.00 0.00 C ATOM 1052 O LYS A 69 -6.503 -2.520 -11.156 1.00 0.00 O ATOM 1053 CB LYS A 69 -5.749 -0.081 -9.039 1.00 0.00 C ATOM 1054 CG LYS A 69 -6.049 1.211 -8.295 1.00 0.00 C ATOM 1055 CD LYS A 69 -7.170 1.999 -8.939 1.00 0.00 C ATOM 1056 CE LYS A 69 -6.896 2.274 -10.409 1.00 0.00 C ATOM 1057 NZ LYS A 69 -5.680 3.113 -10.599 1.00 0.00 N ATOM 0 H LYS A 69 -7.603 -0.552 -7.500 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.477 -0.319 -10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.143 -0.723 -8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.148 0.151 -9.918 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.316 0.980 -7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.149 1.825 -8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.105 1.447 -8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.300 2.944 -8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.772 1.329 -10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.756 2.776 -10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.575 3.349 -11.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.773 3.989 -10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.842 2.588 -10.277 1.00 0.00 H new ATOM 1071 N PHE A 70 -6.317 -3.124 -8.991 1.00 0.00 N ATOM 1072 CA PHE A 70 -5.912 -4.502 -9.266 1.00 0.00 C ATOM 1073 C PHE A 70 -7.016 -5.493 -8.819 1.00 0.00 C ATOM 1074 O PHE A 70 -6.759 -6.551 -8.250 1.00 0.00 O ATOM 1075 CB PHE A 70 -4.532 -4.735 -8.593 1.00 0.00 C ATOM 1076 CG PHE A 70 -4.336 -6.046 -7.883 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -4.712 -6.182 -6.558 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -3.785 -7.137 -8.536 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -4.546 -7.379 -5.893 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -3.613 -8.340 -7.877 1.00 0.00 C ATOM 1081 CZ PHE A 70 -3.994 -8.462 -6.553 1.00 0.00 C ATOM 0 H PHE A 70 -6.378 -2.900 -7.998 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.794 -4.681 -10.335 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.761 -4.645 -9.359 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.364 -3.932 -7.876 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.141 -5.339 -6.037 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.487 -7.047 -9.570 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.846 -7.470 -4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.182 -9.184 -8.395 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.861 -9.401 -6.036 1.00 0.00 H new ATOM 1091 N GLN A 71 -8.264 -5.150 -9.131 1.00 0.00 N ATOM 1092 CA GLN A 71 -9.400 -6.002 -8.744 1.00 0.00 C ATOM 1093 C GLN A 71 -10.762 -5.439 -9.167 1.00 0.00 C ATOM 1094 O GLN A 71 -11.741 -6.183 -9.214 1.00 0.00 O ATOM 1095 CB GLN A 71 -9.423 -6.218 -7.237 1.00 0.00 C ATOM 1096 CG GLN A 71 -10.362 -7.334 -6.806 1.00 0.00 C ATOM 1097 CD GLN A 71 -10.598 -7.369 -5.308 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -10.694 -6.198 -4.688 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -10.718 -8.443 -4.716 1.00 0.00 N flip ATOM 0 H GLN A 71 -8.518 -4.304 -9.642 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.246 -6.943 -9.272 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.414 -6.448 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.722 -5.291 -6.748 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.318 -7.213 -7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.949 -8.291 -7.125 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.637 -9.320 -5.230 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.898 -8.455 -3.712 1.00 0.00 H new ATOM 1108 N SER A 72 -10.810 -4.141 -9.494 1.00 0.00 N ATOM 1109 CA SER A 72 -12.049 -3.437 -9.863 1.00 0.00 C ATOM 1110 C SER A 72 -13.301 -4.100 -9.298 1.00 0.00 C ATOM 1111 O SER A 72 -14.263 -4.383 -10.014 1.00 0.00 O ATOM 1112 CB SER A 72 -12.168 -3.320 -11.378 1.00 0.00 C ATOM 1113 OG SER A 72 -11.143 -2.501 -11.913 1.00 0.00 O ATOM 0 H SER A 72 -9.984 -3.543 -9.511 1.00 0.00 H new ATOM 0 HA SER A 72 -11.981 -2.443 -9.420 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.115 -4.312 -11.827 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.142 -2.904 -11.637 1.00 0.00 H new ATOM 0 HG SER A 72 -10.499 -2.281 -11.208 1.00 0.00 H new ATOM 1119 N ASP A 73 -13.253 -4.335 -7.999 1.00 0.00 N ATOM 1120 CA ASP A 73 -14.352 -4.947 -7.270 1.00 0.00 C ATOM 1121 C ASP A 73 -14.298 -4.567 -5.790 1.00 0.00 C ATOM 1122 O ASP A 73 -15.336 -4.378 -5.165 1.00 0.00 O ATOM 1123 CB ASP A 73 -14.306 -6.467 -7.420 1.00 0.00 C ATOM 1124 CG ASP A 73 -14.726 -6.926 -8.804 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -15.938 -6.882 -9.101 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -13.843 -7.332 -9.589 1.00 0.00 O ATOM 0 H ASP A 73 -12.448 -4.106 -7.417 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.287 -4.577 -7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.295 -6.819 -7.215 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.959 -6.923 -6.676 1.00 0.00 H new ATOM 1131 N ALA A 74 -13.065 -4.498 -5.259 1.00 0.00 N ATOM 1132 CA ALA A 74 -12.764 -4.155 -3.857 1.00 0.00 C ATOM 1133 C ALA A 74 -13.972 -3.919 -2.964 1.00 0.00 C ATOM 1134 O ALA A 74 -14.855 -3.114 -3.259 1.00 0.00 O ATOM 1135 CB ALA A 74 -11.839 -2.957 -3.787 1.00 0.00 C ATOM 0 H ALA A 74 -12.226 -4.684 -5.808 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.279 -5.047 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.629 -2.720 -2.744 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.906 -3.187 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.315 -2.101 -4.265 1.00 0.00 H new ATOM 1141 N ARG A 75 -13.942 -4.584 -1.815 1.00 0.00 N ATOM 1142 CA ARG A 75 -14.997 -4.472 -0.822 1.00 0.00 C ATOM 1143 C ARG A 75 -15.049 -3.071 -0.206 1.00 0.00 C ATOM 1144 O ARG A 75 -15.943 -2.782 0.588 1.00 0.00 O ATOM 1145 CB ARG A 75 -14.778 -5.505 0.286 1.00 0.00 C ATOM 1146 CG ARG A 75 -13.367 -5.487 0.862 1.00 0.00 C ATOM 1147 CD ARG A 75 -12.563 -6.693 0.402 1.00 0.00 C ATOM 1148 NE ARG A 75 -11.134 -6.566 0.692 1.00 0.00 N ATOM 1149 CZ ARG A 75 -10.275 -7.577 0.570 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -10.706 -8.773 0.191 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -8.988 -7.397 0.825 1.00 0.00 N ATOM 0 H ARG A 75 -13.186 -5.214 -1.548 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.946 -4.657 -1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.492 -5.322 1.089 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.989 -6.499 -0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.860 -4.572 0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.417 -5.475 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.950 -7.589 0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.701 -6.828 -0.671 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.779 -5.661 1.002 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.696 -8.919 -0.007 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.048 -9.546 0.098 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.649 -6.480 1.117 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.336 -8.175 0.730 1.00 0.00 H new ATOM 1165 N GLU A 76 -14.078 -2.215 -0.567 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.981 -0.845 -0.065 1.00 0.00 C ATOM 1167 C GLU A 76 -13.107 -0.826 1.168 1.00 0.00 C ATOM 1168 O GLU A 76 -13.378 -0.133 2.148 1.00 0.00 O ATOM 1169 CB GLU A 76 -15.345 -0.223 0.222 1.00 0.00 C ATOM 1170 CG GLU A 76 -16.299 -0.321 -0.954 1.00 0.00 C ATOM 1171 CD GLU A 76 -17.692 0.176 -0.623 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -17.943 1.390 -0.778 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -18.535 -0.649 -0.211 1.00 0.00 O ATOM 0 H GLU A 76 -13.335 -2.462 -1.221 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.529 -0.234 -0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.789 -0.717 1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.212 0.825 0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.901 0.257 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.357 -1.358 -1.284 1.00 0.00 H new ATOM 1180 N LEU A 77 -12.040 -1.603 1.071 1.00 0.00 N ATOM 1181 CA LEU A 77 -11.050 -1.768 2.127 1.00 0.00 C ATOM 1182 C LEU A 77 -11.621 -1.585 3.525 1.00 0.00 C ATOM 1183 O LEU A 77 -10.949 -1.049 4.405 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.904 -0.807 1.891 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.968 -1.228 0.765 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -7.814 -0.261 0.646 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -8.478 -2.641 0.993 1.00 0.00 C ATOM 0 H LEU A 77 -11.832 -2.150 0.236 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.696 -2.798 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.310 0.179 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.329 -0.710 2.812 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.518 -1.208 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.156 -0.578 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.196 0.737 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.256 -0.244 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.810 -2.930 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.941 -2.692 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.329 -3.321 1.022 1.00 0.00 H new ATOM 1199 N THR A 78 -12.858 -2.036 3.715 1.00 0.00 N ATOM 1200 CA THR A 78 -13.534 -1.963 5.014 1.00 0.00 C ATOM 1201 C THR A 78 -13.149 -0.713 5.803 1.00 0.00 C ATOM 1202 O THR A 78 -12.653 0.267 5.247 1.00 0.00 O ATOM 1203 CB THR A 78 -13.214 -3.212 5.861 1.00 0.00 C ATOM 1204 OG1 THR A 78 -11.867 -3.146 6.343 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.400 -4.484 5.042 1.00 0.00 C ATOM 0 H THR A 78 -13.421 -2.461 2.978 1.00 0.00 H new ATOM 0 HA THR A 78 -14.603 -1.915 4.805 1.00 0.00 H new ATOM 0 HB THR A 78 -13.902 -3.236 6.706 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.584 -4.034 6.645 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.169 -5.352 5.660 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.433 -4.548 4.699 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.732 -4.463 4.181 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.461 -0.717 7.082 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.097 0.388 7.942 1.00 0.00 C ATOM 1215 C GLU A 79 -11.589 0.396 8.221 1.00 0.00 C ATOM 1216 O GLU A 79 -10.906 1.399 8.013 1.00 0.00 O ATOM 1217 CB GLU A 79 -13.870 0.301 9.250 1.00 0.00 C ATOM 1218 CG GLU A 79 -14.463 1.627 9.679 1.00 0.00 C ATOM 1219 CD GLU A 79 -13.440 2.552 10.307 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -12.752 3.275 9.556 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -13.323 2.552 11.550 1.00 0.00 O ATOM 0 H GLU A 79 -13.965 -1.472 7.548 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.352 1.317 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.671 -0.431 9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.206 -0.064 10.034 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.907 2.118 8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.268 1.446 10.391 1.00 0.00 H new ATOM 1228 N SER A 80 -11.092 -0.749 8.699 1.00 0.00 N ATOM 1229 CA SER A 80 -9.686 -0.907 9.096 1.00 0.00 C ATOM 1230 C SER A 80 -8.717 -1.296 7.970 1.00 0.00 C ATOM 1231 O SER A 80 -7.507 -1.108 8.108 1.00 0.00 O ATOM 1232 CB SER A 80 -9.599 -1.941 10.201 1.00 0.00 C ATOM 1233 OG SER A 80 -8.635 -1.575 11.175 1.00 0.00 O ATOM 0 H SER A 80 -11.651 -1.593 8.822 1.00 0.00 H new ATOM 0 HA SER A 80 -9.365 0.082 9.424 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.574 -2.052 10.675 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.339 -2.910 9.775 1.00 0.00 H new ATOM 0 HG SER A 80 -8.019 -2.322 11.322 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.227 -1.833 6.865 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.347 -2.308 5.781 1.00 0.00 C ATOM 1241 C GLU A 81 -7.507 -1.174 5.194 1.00 0.00 C ATOM 1242 O GLU A 81 -6.354 -1.381 4.815 1.00 0.00 O ATOM 1243 CB GLU A 81 -9.154 -2.989 4.682 1.00 0.00 C ATOM 1244 CG GLU A 81 -8.448 -4.154 4.035 1.00 0.00 C ATOM 1245 CD GLU A 81 -9.309 -4.841 2.993 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -10.495 -5.108 3.285 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -8.802 -5.113 1.889 1.00 0.00 O ATOM 0 H GLU A 81 -10.225 -1.952 6.690 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.665 -3.038 6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.098 -3.337 5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.397 -2.254 3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.527 -3.805 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.164 -4.875 4.801 1.00 0.00 H new ATOM 1254 N THR A 82 -8.088 0.020 5.120 1.00 0.00 N ATOM 1255 CA THR A 82 -7.365 1.178 4.619 1.00 0.00 C ATOM 1256 C THR A 82 -6.283 1.609 5.617 1.00 0.00 C ATOM 1257 O THR A 82 -5.510 2.523 5.340 1.00 0.00 O ATOM 1258 CB THR A 82 -8.293 2.366 4.338 1.00 0.00 C ATOM 1259 OG1 THR A 82 -8.925 2.801 5.547 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.348 1.996 3.306 1.00 0.00 C ATOM 0 H THR A 82 -9.051 0.208 5.399 1.00 0.00 H new ATOM 0 HA THR A 82 -6.905 0.877 3.678 1.00 0.00 H new ATOM 0 HB THR A 82 -7.689 3.181 3.939 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.513 3.561 5.354 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.995 2.854 3.123 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.860 1.704 2.376 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.946 1.164 3.679 1.00 0.00 H new ATOM 1268 N LYS A 83 -6.236 0.948 6.786 1.00 0.00 N ATOM 1269 CA LYS A 83 -5.256 1.263 7.812 1.00 0.00 C ATOM 1270 C LYS A 83 -3.844 1.146 7.257 1.00 0.00 C ATOM 1271 O LYS A 83 -2.997 1.997 7.520 1.00 0.00 O ATOM 1272 CB LYS A 83 -5.425 0.327 9.009 1.00 0.00 C ATOM 1273 CG LYS A 83 -4.420 0.572 10.124 1.00 0.00 C ATOM 1274 CD LYS A 83 -4.558 -0.459 11.232 1.00 0.00 C ATOM 1275 CE LYS A 83 -3.563 -0.208 12.353 1.00 0.00 C ATOM 1276 NZ LYS A 83 -2.158 -0.221 11.860 1.00 0.00 N ATOM 0 H LYS A 83 -6.873 0.191 7.034 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.418 2.290 8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.433 0.441 9.409 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.332 -0.704 8.668 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.409 0.539 9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.566 1.571 10.534 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.572 -0.432 11.631 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.403 -1.457 10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.776 0.754 12.819 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.685 -0.969 13.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.507 -0.285 12.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.017 -1.041 11.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.968 0.654 11.331 1.00 0.00 H new ATOM 1290 N SER A 84 -3.583 0.085 6.492 1.00 0.00 N ATOM 1291 CA SER A 84 -2.279 -0.119 5.904 1.00 0.00 C ATOM 1292 C SER A 84 -1.879 1.098 5.107 1.00 0.00 C ATOM 1293 O SER A 84 -0.835 1.706 5.338 1.00 0.00 O ATOM 1294 CB SER A 84 -2.330 -1.320 4.974 1.00 0.00 C ATOM 1295 OG SER A 84 -1.924 -2.498 5.634 1.00 0.00 O ATOM 0 H SER A 84 -4.265 -0.641 6.271 1.00 0.00 H new ATOM 0 HA SER A 84 -1.552 -0.290 6.698 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.344 -1.445 4.594 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.686 -1.143 4.113 1.00 0.00 H new ATOM 0 HG SER A 84 -1.876 -2.332 6.599 1.00 0.00 H new ATOM 1301 N LEU A 85 -2.741 1.440 4.167 1.00 0.00 N ATOM 1302 CA LEU A 85 -2.534 2.578 3.310 1.00 0.00 C ATOM 1303 C LEU A 85 -2.511 3.871 4.122 1.00 0.00 C ATOM 1304 O LEU A 85 -1.622 4.700 3.955 1.00 0.00 O ATOM 1305 CB LEU A 85 -3.637 2.580 2.263 1.00 0.00 C ATOM 1306 CG LEU A 85 -3.715 1.292 1.451 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -4.660 1.469 0.275 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -2.329 0.867 0.976 1.00 0.00 C ATOM 0 H LEU A 85 -3.605 0.931 3.981 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.566 2.513 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.594 2.746 2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.479 3.418 1.584 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.106 0.501 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.707 0.542 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.655 1.719 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.297 2.273 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.409 -0.054 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.902 1.651 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.684 0.700 1.839 1.00 0.00 H new ATOM 1320 N MET A 86 -3.467 4.016 5.028 1.00 0.00 N ATOM 1321 CA MET A 86 -3.534 5.200 5.877 1.00 0.00 C ATOM 1322 C MET A 86 -2.230 5.342 6.657 1.00 0.00 C ATOM 1323 O MET A 86 -1.590 6.394 6.642 1.00 0.00 O ATOM 1324 CB MET A 86 -4.720 5.100 6.838 1.00 0.00 C ATOM 1325 CG MET A 86 -6.072 5.194 6.148 1.00 0.00 C ATOM 1326 SD MET A 86 -6.738 6.871 6.150 1.00 0.00 S ATOM 1327 CE MET A 86 -5.328 7.802 5.557 1.00 0.00 C ATOM 0 H MET A 86 -4.205 3.332 5.195 1.00 0.00 H new ATOM 0 HA MET A 86 -3.675 6.081 5.251 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.661 4.154 7.377 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.644 5.895 7.580 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.976 4.847 5.119 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.776 4.527 6.645 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.586 8.860 5.504 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.489 7.667 6.240 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.049 7.447 4.565 1.00 0.00 H new ATOM 1337 N ASP A 87 -1.850 4.263 7.332 1.00 0.00 N ATOM 1338 CA ASP A 87 -0.616 4.207 8.115 1.00 0.00 C ATOM 1339 C ASP A 87 0.625 4.115 7.216 1.00 0.00 C ATOM 1340 O ASP A 87 1.756 4.135 7.703 1.00 0.00 O ATOM 1341 CB ASP A 87 -0.654 2.997 9.039 1.00 0.00 C ATOM 1342 CG ASP A 87 -1.728 3.114 10.104 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -2.893 2.765 9.817 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -1.404 3.556 11.226 1.00 0.00 O ATOM 0 H ASP A 87 -2.390 3.398 7.353 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.548 5.127 8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.829 2.098 8.448 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.318 2.879 9.519 1.00 0.00 H new ATOM 1349 N ALA A 88 0.407 4.016 5.908 1.00 0.00 N ATOM 1350 CA ALA A 88 1.492 3.867 4.944 1.00 0.00 C ATOM 1351 C ALA A 88 2.367 5.111 4.806 1.00 0.00 C ATOM 1352 O ALA A 88 3.535 5.002 4.437 1.00 0.00 O ATOM 1353 CB ALA A 88 0.913 3.495 3.597 1.00 0.00 C ATOM 0 H ALA A 88 -0.522 4.037 5.488 1.00 0.00 H new ATOM 0 HA ALA A 88 2.143 3.078 5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.720 3.382 2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.368 2.555 3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.233 4.279 3.264 1.00 0.00 H new ATOM 1359 N ALA A 89 1.820 6.288 5.090 1.00 0.00 N ATOM 1360 CA ALA A 89 2.601 7.515 4.956 1.00 0.00 C ATOM 1361 C ALA A 89 2.016 8.667 5.765 1.00 0.00 C ATOM 1362 O ALA A 89 2.429 8.914 6.898 1.00 0.00 O ATOM 1363 CB ALA A 89 2.715 7.906 3.487 1.00 0.00 C ATOM 0 H ALA A 89 0.860 6.420 5.408 1.00 0.00 H new ATOM 0 HA ALA A 89 3.594 7.312 5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.299 8.822 3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.209 7.106 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.719 8.070 3.076 1.00 0.00 H new ATOM 1369 N ASP A 90 1.054 9.373 5.179 1.00 0.00 N ATOM 1370 CA ASP A 90 0.436 10.498 5.859 1.00 0.00 C ATOM 1371 C ASP A 90 -0.760 10.012 6.664 1.00 0.00 C ATOM 1372 O ASP A 90 -1.911 10.147 6.251 1.00 0.00 O ATOM 1373 CB ASP A 90 0.038 11.594 4.873 1.00 0.00 C ATOM 1374 CG ASP A 90 0.456 12.960 5.376 1.00 0.00 C ATOM 1375 OD1 ASP A 90 -0.076 13.395 6.419 1.00 0.00 O ATOM 1376 OD2 ASP A 90 1.324 13.588 4.739 1.00 0.00 O ATOM 0 H ASP A 90 0.691 9.186 4.244 1.00 0.00 H new ATOM 0 HA ASP A 90 1.162 10.938 6.543 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.501 11.402 3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.041 11.574 4.719 1.00 0.00 H new ATOM 1381 N ASN A 91 -0.459 9.445 7.819 1.00 0.00 N ATOM 1382 CA ASN A 91 -1.481 8.888 8.700 1.00 0.00 C ATOM 1383 C ASN A 91 -1.855 9.864 9.810 1.00 0.00 C ATOM 1384 O ASN A 91 -3.034 10.105 10.067 1.00 0.00 O ATOM 1385 CB ASN A 91 -1.028 7.543 9.296 1.00 0.00 C ATOM 1386 CG ASN A 91 0.466 7.293 9.160 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.872 6.732 8.022 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 1.244 7.605 10.061 1.00 0.00 N flip ATOM 0 H ASN A 91 0.493 9.356 8.175 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.369 8.713 8.093 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.299 7.512 10.351 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.570 6.735 8.804 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.889 8.033 10.916 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.244 7.436 9.953 1.00 0.00 H new ATOM 1395 N ASP A 92 -0.843 10.422 10.463 1.00 0.00 N ATOM 1396 CA ASP A 92 -1.066 11.359 11.559 1.00 0.00 C ATOM 1397 C ASP A 92 -0.615 12.773 11.202 1.00 0.00 C ATOM 1398 O ASP A 92 -0.282 13.560 12.086 1.00 0.00 O ATOM 1399 CB ASP A 92 -0.332 10.879 12.814 1.00 0.00 C ATOM 1400 CG ASP A 92 -0.623 11.746 14.023 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -1.646 11.501 14.696 1.00 0.00 O ATOM 1402 OD2 ASP A 92 0.173 12.669 14.297 1.00 0.00 O ATOM 0 H ASP A 92 0.139 10.243 10.254 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.139 11.393 11.750 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.622 9.851 13.030 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.741 10.874 12.624 1.00 0.00 H new ATOM 1407 N GLY A 93 -0.603 13.101 9.912 1.00 0.00 N ATOM 1408 CA GLY A 93 -0.180 14.430 9.501 1.00 0.00 C ATOM 1409 C GLY A 93 -0.997 14.996 8.344 1.00 0.00 C ATOM 1410 O GLY A 93 -0.708 16.091 7.860 1.00 0.00 O ATOM 0 H GLY A 93 -0.875 12.478 9.151 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.254 15.106 10.353 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.870 14.395 9.211 1.00 0.00 H new ATOM 1414 N ASP A 94 -2.019 14.260 7.904 1.00 0.00 N ATOM 1415 CA ASP A 94 -2.867 14.699 6.798 1.00 0.00 C ATOM 1416 C ASP A 94 -3.933 13.651 6.493 1.00 0.00 C ATOM 1417 O ASP A 94 -5.124 13.872 6.717 1.00 0.00 O ATOM 1418 CB ASP A 94 -2.041 14.981 5.538 1.00 0.00 C ATOM 1419 CG ASP A 94 -2.848 15.690 4.468 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -3.562 15.002 3.707 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -2.767 16.934 4.391 1.00 0.00 O ATOM 0 H ASP A 94 -2.279 13.356 8.298 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.352 15.626 7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.177 15.590 5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.659 14.041 5.139 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.486 12.507 5.979 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.397 11.430 5.642 1.00 0.00 C ATOM 1428 C GLY A 95 -4.258 10.968 4.201 1.00 0.00 C ATOM 1429 O GLY A 95 -5.010 10.105 3.750 1.00 0.00 O ATOM 0 H GLY A 95 -2.504 12.308 5.790 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.216 10.586 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.421 11.759 5.816 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.296 11.536 3.473 1.00 0.00 N ATOM 1434 CA LYS A 96 -3.082 11.167 2.080 1.00 0.00 C ATOM 1435 C LYS A 96 -1.861 10.264 1.929 1.00 0.00 C ATOM 1436 O LYS A 96 -0.939 10.310 2.740 1.00 0.00 O ATOM 1437 CB LYS A 96 -2.939 12.447 1.214 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.740 12.495 0.253 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.406 12.721 0.960 1.00 0.00 C ATOM 1440 CE LYS A 96 -0.505 13.799 2.030 1.00 0.00 C ATOM 1441 NZ LYS A 96 0.833 14.342 2.393 1.00 0.00 N ATOM 0 H LYS A 96 -2.658 12.249 3.825 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.947 10.602 1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.851 12.566 0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.875 13.306 1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.693 11.560 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.898 13.292 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.074 11.788 1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.349 13.005 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.141 14.609 1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.983 13.387 2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.734 15.329 2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.241 13.774 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.460 14.302 1.564 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.869 9.445 0.882 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.746 8.574 0.603 1.00 0.00 C ATOM 1457 C ILE A 97 -0.274 8.741 -0.827 1.00 0.00 C ATOM 1458 O ILE A 97 -0.863 8.192 -1.738 1.00 0.00 O ATOM 1459 CB ILE A 97 -1.097 7.094 0.768 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.785 6.833 2.097 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.165 6.256 0.648 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.939 7.184 3.300 1.00 0.00 C ATOM 0 H ILE A 97 -2.640 9.370 0.218 1.00 0.00 H new ATOM 0 HA ILE A 97 0.025 8.859 1.319 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.794 6.814 -0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.711 7.407 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.060 5.780 2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.086 5.202 0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.615 6.415 -0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.872 6.550 1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.497 6.971 4.212 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.024 6.591 3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.685 8.244 3.270 1.00 0.00 H new ATOM 1474 N GLY A 98 0.773 9.512 -1.012 1.00 0.00 N ATOM 1475 CA GLY A 98 1.358 9.689 -2.318 1.00 0.00 C ATOM 1476 C GLY A 98 2.643 8.908 -2.430 1.00 0.00 C ATOM 1477 O GLY A 98 3.164 8.427 -1.430 1.00 0.00 O ATOM 0 H GLY A 98 1.239 10.030 -0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.657 9.359 -3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.551 10.747 -2.496 1.00 0.00 H new ATOM 1481 N ALA A 99 3.157 8.769 -3.634 1.00 0.00 N ATOM 1482 CA ALA A 99 4.389 8.009 -3.817 1.00 0.00 C ATOM 1483 C ALA A 99 5.490 8.521 -2.895 1.00 0.00 C ATOM 1484 O ALA A 99 6.082 7.745 -2.150 1.00 0.00 O ATOM 1485 CB ALA A 99 4.835 8.067 -5.267 1.00 0.00 C ATOM 0 H ALA A 99 2.757 9.160 -4.487 1.00 0.00 H new ATOM 0 HA ALA A 99 4.190 6.970 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.755 7.495 -5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.058 7.643 -5.904 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.012 9.104 -5.552 1.00 0.00 H new ATOM 1491 N ASP A 100 5.735 9.824 -2.907 1.00 0.00 N ATOM 1492 CA ASP A 100 6.760 10.399 -2.041 1.00 0.00 C ATOM 1493 C ASP A 100 6.399 10.182 -0.575 1.00 0.00 C ATOM 1494 O ASP A 100 7.256 9.840 0.237 1.00 0.00 O ATOM 1495 CB ASP A 100 6.942 11.890 -2.331 1.00 0.00 C ATOM 1496 CG ASP A 100 7.452 12.148 -3.735 1.00 0.00 C ATOM 1497 OD1 ASP A 100 6.624 12.193 -4.668 1.00 0.00 O ATOM 1498 OD2 ASP A 100 8.680 12.306 -3.901 1.00 0.00 O ATOM 0 H ASP A 100 5.246 10.497 -3.498 1.00 0.00 H new ATOM 0 HA ASP A 100 7.704 9.894 -2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.990 12.403 -2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.640 12.315 -1.610 1.00 0.00 H new ATOM 1503 N GLU A 101 5.127 10.380 -0.238 1.00 0.00 N ATOM 1504 CA GLU A 101 4.663 10.167 1.126 1.00 0.00 C ATOM 1505 C GLU A 101 4.939 8.717 1.499 1.00 0.00 C ATOM 1506 O GLU A 101 5.537 8.426 2.532 1.00 0.00 O ATOM 1507 CB GLU A 101 3.164 10.483 1.223 1.00 0.00 C ATOM 1508 CG GLU A 101 2.825 11.835 1.842 1.00 0.00 C ATOM 1509 CD GLU A 101 3.874 12.903 1.582 1.00 0.00 C ATOM 1510 OE1 GLU A 101 3.781 13.584 0.539 1.00 0.00 O ATOM 1511 OE2 GLU A 101 4.787 13.057 2.420 1.00 0.00 O ATOM 0 H GLU A 101 4.404 10.686 -0.889 1.00 0.00 H new ATOM 0 HA GLU A 101 5.187 10.827 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.735 10.442 0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.681 9.701 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.867 12.175 1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.703 11.712 2.918 1.00 0.00 H new ATOM 1518 N PHE A 102 4.491 7.813 0.637 1.00 0.00 N ATOM 1519 CA PHE A 102 4.734 6.392 0.817 1.00 0.00 C ATOM 1520 C PHE A 102 6.233 6.146 0.993 1.00 0.00 C ATOM 1521 O PHE A 102 6.651 5.344 1.830 1.00 0.00 O ATOM 1522 CB PHE A 102 4.187 5.622 -0.377 1.00 0.00 C ATOM 1523 CG PHE A 102 4.391 4.149 -0.241 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.641 3.606 -0.430 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.338 3.313 0.097 1.00 0.00 C ATOM 1526 CE1 PHE A 102 5.848 2.255 -0.290 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.538 1.953 0.237 1.00 0.00 C ATOM 1528 CZ PHE A 102 4.798 1.423 0.043 1.00 0.00 C ATOM 0 H PHE A 102 3.954 8.044 -0.199 1.00 0.00 H new ATOM 0 HA PHE A 102 4.222 6.040 1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.123 5.831 -0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 102 4.675 5.972 -1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.469 4.249 -0.691 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.353 3.728 0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.835 1.843 -0.441 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.712 1.307 0.497 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.962 0.361 0.151 1.00 0.00 H new ATOM 1538 N GLN A 103 7.036 6.846 0.191 1.00 0.00 N ATOM 1539 CA GLN A 103 8.495 6.745 0.261 1.00 0.00 C ATOM 1540 C GLN A 103 9.007 7.164 1.639 1.00 0.00 C ATOM 1541 O GLN A 103 10.056 6.703 2.089 1.00 0.00 O ATOM 1542 CB GLN A 103 9.142 7.622 -0.818 1.00 0.00 C ATOM 1543 CG GLN A 103 9.064 7.038 -2.205 1.00 0.00 C ATOM 1544 CD GLN A 103 9.840 7.825 -3.233 1.00 0.00 C ATOM 1545 OE1 GLN A 103 10.800 8.524 -2.911 1.00 0.00 O ATOM 1546 NE2 GLN A 103 9.428 7.694 -4.484 1.00 0.00 N ATOM 0 H GLN A 103 6.698 7.494 -0.520 1.00 0.00 H new ATOM 0 HA GLN A 103 8.768 5.704 0.090 1.00 0.00 H new ATOM 0 HB2 GLN A 103 8.658 8.599 -0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.189 7.785 -0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 103 9.440 6.015 -2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.019 6.987 -2.511 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.626 7.101 -4.697 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.913 8.186 -5.235 1.00 0.00 H new ATOM 1555 N GLU A 104 8.258 8.043 2.304 1.00 0.00 N ATOM 1556 CA GLU A 104 8.656 8.528 3.625 1.00 0.00 C ATOM 1557 C GLU A 104 8.683 7.378 4.619 1.00 0.00 C ATOM 1558 O GLU A 104 9.557 7.304 5.484 1.00 0.00 O ATOM 1559 CB GLU A 104 7.704 9.618 4.128 1.00 0.00 C ATOM 1560 CG GLU A 104 7.687 10.869 3.266 1.00 0.00 C ATOM 1561 CD GLU A 104 9.019 11.593 3.263 1.00 0.00 C ATOM 1562 OE1 GLU A 104 9.906 11.203 2.475 1.00 0.00 O ATOM 1563 OE2 GLU A 104 9.174 12.553 4.048 1.00 0.00 O ATOM 0 H GLU A 104 7.382 8.430 1.955 1.00 0.00 H new ATOM 0 HA GLU A 104 9.654 8.957 3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.695 9.210 4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.987 9.893 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.423 10.598 2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.911 11.544 3.627 1.00 0.00 H new ATOM 1570 N MET A 105 7.715 6.481 4.484 1.00 0.00 N ATOM 1571 CA MET A 105 7.605 5.327 5.363 1.00 0.00 C ATOM 1572 C MET A 105 8.841 4.436 5.263 1.00 0.00 C ATOM 1573 O MET A 105 9.514 4.186 6.261 1.00 0.00 O ATOM 1574 CB MET A 105 6.349 4.534 5.018 1.00 0.00 C ATOM 1575 CG MET A 105 5.576 4.057 6.235 1.00 0.00 C ATOM 1576 SD MET A 105 6.395 2.699 7.093 1.00 0.00 S ATOM 1577 CE MET A 105 5.249 2.407 8.438 1.00 0.00 C ATOM 0 H MET A 105 6.990 6.533 3.768 1.00 0.00 H new ATOM 0 HA MET A 105 7.535 5.683 6.391 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.696 5.154 4.403 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.629 3.670 4.415 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.444 4.890 6.925 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.581 3.738 5.926 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.609 1.580 9.050 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.171 3.305 9.051 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.268 2.158 8.033 1.00 0.00 H new ATOM 1587 N VAL A 106 9.135 3.955 4.059 1.00 0.00 N ATOM 1588 CA VAL A 106 10.292 3.098 3.844 1.00 0.00 C ATOM 1589 C VAL A 106 11.593 3.852 4.100 1.00 0.00 C ATOM 1590 O VAL A 106 12.585 3.273 4.544 1.00 0.00 O ATOM 1591 CB VAL A 106 10.312 2.533 2.409 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.415 3.649 1.386 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.450 1.534 2.236 1.00 0.00 C ATOM 0 H VAL A 106 8.588 4.145 3.219 1.00 0.00 H new ATOM 0 HA VAL A 106 10.210 2.273 4.552 1.00 0.00 H new ATOM 0 HB VAL A 106 9.371 2.009 2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.427 3.223 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.558 4.315 1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.334 4.212 1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.444 1.149 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.401 2.029 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.319 0.709 2.936 1.00 0.00 H new ATOM 1603 N HIS A 107 11.576 5.148 3.815 1.00 0.00 N ATOM 1604 CA HIS A 107 12.751 5.996 3.995 1.00 0.00 C ATOM 1605 C HIS A 107 12.946 6.385 5.458 1.00 0.00 C ATOM 1606 O HIS A 107 14.065 6.666 5.886 1.00 0.00 O ATOM 1607 CB HIS A 107 12.626 7.256 3.138 1.00 0.00 C ATOM 1608 CG HIS A 107 13.840 8.132 3.180 1.00 0.00 C ATOM 1609 ND1 HIS A 107 14.292 8.974 4.138 1.00 0.00 N flip ATOM 1610 CD2 HIS A 107 14.746 8.212 2.143 1.00 0.00 C flip ATOM 1611 CE1 HIS A 107 15.452 9.540 3.668 1.00 0.00 C flip ATOM 1612 NE2 HIS A 107 15.704 9.064 2.464 1.00 0.00 N flip ATOM 0 H HIS A 107 10.757 5.639 3.456 1.00 0.00 H new ATOM 0 HA HIS A 107 13.623 5.423 3.679 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.433 6.965 2.105 1.00 0.00 H new ATOM 0 HB3 HIS A 107 11.762 7.830 3.474 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.682 7.664 1.214 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.059 10.258 4.198 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.503 9.311 1.880 1.00 0.00 H new ATOM 1621 N SER A 108 11.860 6.398 6.222 1.00 0.00 N ATOM 1622 CA SER A 108 11.933 6.762 7.632 1.00 0.00 C ATOM 1623 C SER A 108 12.959 5.903 8.365 1.00 0.00 C ATOM 1624 O SER A 108 12.563 4.857 8.922 1.00 0.00 O ATOM 1625 CB SER A 108 10.566 6.619 8.296 1.00 0.00 C ATOM 1626 OG SER A 108 10.147 5.267 8.324 1.00 0.00 O ATOM 1627 OXT SER A 108 14.149 6.283 8.376 1.00 0.00 O ATOM 0 H SER A 108 10.924 6.162 5.892 1.00 0.00 H new ATOM 0 HA SER A 108 12.247 7.804 7.691 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.611 7.009 9.313 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.833 7.218 7.756 1.00 0.00 H new ATOM 0 HG SER A 108 9.517 5.105 7.591 1.00 0.00 H new