USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 706 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 67 GLN :FLIP amide:sc= -3.66! C(o=-12!,f=-6.5!) USER MOD Set 1.2: A 75 HIS :FLIP no HE2:sc= -2.81! F(o=-7.2,f=-6.5!) USER MOD Set 2.1: A 7 TYR OH : rot 125:sc= 1.46 USER MOD Set 2.2: A 37 MET CE :methyl 160:sc=-0.00881 (180deg=-0.925) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.114 (180deg=0.0257) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.365 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.0604 X(o=-0.06,f=-0.058) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0842 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 164:sc= 0.00159 USER MOD Single : A 19 ASN : amide:sc= 0.103 X(o=0.1,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 67:sc= 1.22 USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= -0.374 (180deg=-1.41!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.725 X(o=-0.72,f=-0.99) USER MOD Single : A 35 ASN : amide:sc= -1.51 K(o=-1.5,f=-7.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 80:sc= 0.0488 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 60 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -170:sc= 0 (180deg=-0.0334) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0543 K(o=-0.054,f=-2.5!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.959 -1.729 11.973 1.00 0.00 N ATOM 2 CA MET A 1 2.775 -2.499 11.000 1.00 0.00 C ATOM 3 C MET A 1 2.701 -1.872 9.610 1.00 0.00 C ATOM 4 O MET A 1 1.994 -0.885 9.410 1.00 0.00 O ATOM 5 CB MET A 1 2.333 -3.959 11.005 1.00 0.00 C ATOM 6 CG MET A 1 3.406 -4.913 10.493 1.00 0.00 C ATOM 7 SD MET A 1 5.050 -4.591 11.165 1.00 0.00 S ATOM 8 CE MET A 1 4.857 -5.194 12.839 1.00 0.00 C ATOM 0 H1 MET A 1 2.567 -1.392 12.747 1.00 0.00 H new ATOM 0 H2 MET A 1 1.525 -0.914 11.494 1.00 0.00 H new ATOM 0 H3 MET A 1 1.212 -2.341 12.361 1.00 0.00 H new ATOM 0 HA MET A 1 3.823 -2.466 11.298 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.056 -4.245 12.020 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.439 -4.063 10.390 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.117 -5.935 10.739 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.449 -4.847 9.406 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.792 -5.063 13.383 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.065 -4.635 13.338 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.595 -6.252 12.817 1.00 0.00 H new ATOM 20 N PHE A 2 3.468 -2.416 8.667 1.00 0.00 N ATOM 21 CA PHE A 2 3.530 -1.870 7.313 1.00 0.00 C ATOM 22 C PHE A 2 2.171 -1.414 6.820 1.00 0.00 C ATOM 23 O PHE A 2 1.229 -2.190 6.710 1.00 0.00 O ATOM 24 CB PHE A 2 4.086 -2.903 6.347 1.00 0.00 C ATOM 25 CG PHE A 2 5.440 -3.414 6.732 1.00 0.00 C ATOM 26 CD1 PHE A 2 6.572 -2.724 6.352 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.582 -4.576 7.472 1.00 0.00 C ATOM 28 CE1 PHE A 2 7.827 -3.178 6.695 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.836 -5.038 7.821 1.00 0.00 C ATOM 30 CZ PHE A 2 7.960 -4.338 7.431 1.00 0.00 C ATOM 0 H PHE A 2 4.056 -3.236 8.816 1.00 0.00 H new ATOM 0 HA PHE A 2 4.190 -1.003 7.352 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.393 -3.742 6.287 1.00 0.00 H new ATOM 0 HB3 PHE A 2 4.142 -2.464 5.351 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.473 -1.815 5.777 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.704 -5.126 7.779 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.704 -2.628 6.389 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.937 -5.945 8.398 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.942 -4.697 7.701 1.00 0.00 H new ATOM 40 N LYS A 3 2.100 -0.131 6.532 1.00 0.00 N ATOM 41 CA LYS A 3 0.879 0.494 6.060 1.00 0.00 C ATOM 42 C LYS A 3 0.781 0.439 4.545 1.00 0.00 C ATOM 43 O LYS A 3 1.689 0.868 3.841 1.00 0.00 O ATOM 44 CB LYS A 3 0.837 1.947 6.527 1.00 0.00 C ATOM 45 CG LYS A 3 0.328 2.115 7.947 1.00 0.00 C ATOM 46 CD LYS A 3 1.459 1.986 8.957 1.00 0.00 C ATOM 47 CE LYS A 3 1.634 3.261 9.768 1.00 0.00 C ATOM 48 NZ LYS A 3 1.016 3.151 11.118 1.00 0.00 N ATOM 0 H LYS A 3 2.888 0.510 6.618 1.00 0.00 H new ATOM 0 HA LYS A 3 0.032 -0.053 6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.838 2.372 6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.200 2.519 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.148 3.090 8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.435 1.364 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.254 1.152 9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.388 1.755 8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.696 3.482 9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.186 4.097 9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.157 4.040 11.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.003 2.966 11.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.461 2.370 11.641 1.00 0.00 H new ATOM 62 N VAL A 4 -0.329 -0.084 4.041 1.00 0.00 N ATOM 63 CA VAL A 4 -0.527 -0.174 2.601 1.00 0.00 C ATOM 64 C VAL A 4 -1.702 0.683 2.145 1.00 0.00 C ATOM 65 O VAL A 4 -2.786 0.636 2.724 1.00 0.00 O ATOM 66 CB VAL A 4 -0.758 -1.629 2.138 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.418 -1.665 0.767 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.552 -2.392 2.103 1.00 0.00 C ATOM 0 H VAL A 4 -1.099 -0.449 4.602 1.00 0.00 H new ATOM 0 HA VAL A 4 0.391 0.198 2.145 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.425 -2.107 2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.570 -2.701 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.380 -1.155 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.777 -1.165 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.369 -3.415 1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.238 -1.906 1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.992 -2.405 3.100 1.00 0.00 H new ATOM 78 N TYR A 5 -1.482 1.434 1.075 1.00 0.00 N ATOM 79 CA TYR A 5 -2.518 2.273 0.497 1.00 0.00 C ATOM 80 C TYR A 5 -2.923 1.694 -0.848 1.00 0.00 C ATOM 81 O TYR A 5 -2.224 1.880 -1.843 1.00 0.00 O ATOM 82 CB TYR A 5 -2.027 3.710 0.301 1.00 0.00 C ATOM 83 CG TYR A 5 -1.780 4.476 1.581 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.943 3.977 2.570 1.00 0.00 C ATOM 85 CD2 TYR A 5 -2.365 5.720 1.785 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.697 4.695 3.725 1.00 0.00 C ATOM 87 CE2 TYR A 5 -2.128 6.441 2.939 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.292 5.926 3.906 1.00 0.00 C ATOM 89 OH TYR A 5 -1.048 6.643 5.054 1.00 0.00 O ATOM 0 H TYR A 5 -0.587 1.478 0.588 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.368 2.295 1.179 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.103 3.688 -0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.762 4.252 -0.294 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.477 3.012 2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.017 6.130 1.028 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.041 4.293 4.483 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.596 7.404 3.083 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.543 7.488 5.023 1.00 0.00 H new ATOM 99 N GLY A 6 -4.032 0.971 -0.877 1.00 0.00 N ATOM 100 CA GLY A 6 -4.472 0.371 -2.116 1.00 0.00 C ATOM 101 C GLY A 6 -5.938 0.003 -2.102 1.00 0.00 C ATOM 102 O GLY A 6 -6.781 0.778 -1.643 1.00 0.00 O ATOM 0 H GLY A 6 -4.630 0.791 -0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.284 1.064 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.880 -0.523 -2.312 1.00 0.00 H new ATOM 106 N TYR A 7 -6.241 -1.176 -2.627 1.00 0.00 N ATOM 107 CA TYR A 7 -7.601 -1.655 -2.704 1.00 0.00 C ATOM 108 C TYR A 7 -7.738 -3.021 -2.040 1.00 0.00 C ATOM 109 O TYR A 7 -6.848 -3.863 -2.143 1.00 0.00 O ATOM 110 CB TYR A 7 -8.000 -1.730 -4.168 1.00 0.00 C ATOM 111 CG TYR A 7 -7.650 -0.469 -4.913 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.350 0.703 -4.680 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.604 -0.441 -5.822 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.020 1.869 -5.333 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.268 0.722 -6.484 1.00 0.00 C ATOM 116 CZ TYR A 7 -6.979 1.875 -6.235 1.00 0.00 C ATOM 117 OH TYR A 7 -6.645 3.040 -6.888 1.00 0.00 O ATOM 0 H TYR A 7 -5.549 -1.821 -3.009 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.260 -0.969 -2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.501 -2.578 -4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.073 -1.910 -4.243 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.168 0.702 -3.975 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.043 -1.344 -6.015 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.575 2.775 -5.139 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.453 0.728 -7.193 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.697 3.239 -6.737 1.00 0.00 H new ATOM 127 N ASP A 8 -8.853 -3.237 -1.350 1.00 0.00 N ATOM 128 CA ASP A 8 -9.089 -4.504 -0.669 1.00 0.00 C ATOM 129 C ASP A 8 -10.009 -5.403 -1.490 1.00 0.00 C ATOM 130 O ASP A 8 -10.707 -6.258 -0.946 1.00 0.00 O ATOM 131 CB ASP A 8 -9.690 -4.260 0.716 1.00 0.00 C ATOM 132 CG ASP A 8 -9.302 -5.338 1.708 1.00 0.00 C ATOM 133 OD1 ASP A 8 -8.939 -6.449 1.264 1.00 0.00 O ATOM 134 OD2 ASP A 8 -9.359 -5.074 2.927 1.00 0.00 O ATOM 0 H ASP A 8 -9.604 -2.554 -1.248 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.130 -5.009 -0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.359 -3.290 1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.776 -4.217 0.636 1.00 0.00 H new ATOM 139 N SER A 9 -10.003 -5.204 -2.806 1.00 0.00 N ATOM 140 CA SER A 9 -10.834 -5.996 -3.710 1.00 0.00 C ATOM 141 C SER A 9 -12.324 -5.740 -3.478 1.00 0.00 C ATOM 142 O SER A 9 -13.172 -6.432 -4.041 1.00 0.00 O ATOM 143 CB SER A 9 -10.532 -7.486 -3.537 1.00 0.00 C ATOM 144 OG SER A 9 -9.259 -7.683 -2.948 1.00 0.00 O ATOM 0 H SER A 9 -9.431 -4.499 -3.271 1.00 0.00 H new ATOM 0 HA SER A 9 -10.594 -5.691 -4.729 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.299 -7.946 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.568 -7.983 -4.507 1.00 0.00 H new ATOM 0 HG SER A 9 -9.091 -8.643 -2.847 1.00 0.00 H new ATOM 150 N ASN A 10 -12.640 -4.747 -2.651 1.00 0.00 N ATOM 151 CA ASN A 10 -14.028 -4.410 -2.352 1.00 0.00 C ATOM 152 C ASN A 10 -14.592 -3.462 -3.401 1.00 0.00 C ATOM 153 O ASN A 10 -15.668 -3.695 -3.951 1.00 0.00 O ATOM 154 CB ASN A 10 -14.130 -3.776 -0.965 1.00 0.00 C ATOM 155 CG ASN A 10 -15.560 -3.688 -0.472 1.00 0.00 C ATOM 156 OD1 ASN A 10 -16.139 -2.603 -0.395 1.00 0.00 O ATOM 157 ND2 ASN A 10 -16.139 -4.835 -0.136 1.00 0.00 N ATOM 0 H ASN A 10 -11.953 -4.162 -2.176 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.614 -5.329 -2.367 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -13.540 -4.360 -0.258 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.696 -2.776 -0.993 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.101 -4.841 0.202 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.621 -5.710 -0.216 1.00 0.00 H new ATOM 164 N ILE A 11 -13.854 -2.396 -3.682 1.00 0.00 N ATOM 165 CA ILE A 11 -14.272 -1.417 -4.673 1.00 0.00 C ATOM 166 C ILE A 11 -13.478 -1.594 -5.956 1.00 0.00 C ATOM 167 O ILE A 11 -13.988 -1.364 -7.054 1.00 0.00 O ATOM 168 CB ILE A 11 -14.083 0.021 -4.157 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.751 0.185 -2.791 1.00 0.00 C ATOM 170 CG2 ILE A 11 -14.650 1.018 -5.152 1.00 0.00 C ATOM 171 CD1 ILE A 11 -16.223 -0.173 -2.795 1.00 0.00 C ATOM 0 H ILE A 11 -12.961 -2.188 -3.235 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.332 -1.581 -4.868 1.00 0.00 H new ATOM 0 HB ILE A 11 -13.016 0.216 -4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.234 -0.442 -2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -14.636 1.217 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.509 2.030 -4.773 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.134 0.913 -6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.714 0.828 -5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.634 -0.034 -1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.752 0.471 -3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.343 -1.214 -3.095 1.00 0.00 H new ATOM 183 N HIS A 12 -12.228 -2.017 -5.808 1.00 0.00 N ATOM 184 CA HIS A 12 -11.361 -2.242 -6.947 1.00 0.00 C ATOM 185 C HIS A 12 -10.502 -3.480 -6.737 1.00 0.00 C ATOM 186 O HIS A 12 -10.016 -3.739 -5.636 1.00 0.00 O ATOM 187 CB HIS A 12 -10.472 -1.030 -7.203 1.00 0.00 C ATOM 188 CG HIS A 12 -9.829 -1.034 -8.553 1.00 0.00 C ATOM 189 ND1 HIS A 12 -10.536 -1.111 -9.732 1.00 0.00 N ATOM 190 CD2 HIS A 12 -8.520 -0.962 -8.904 1.00 0.00 C ATOM 191 CE1 HIS A 12 -9.656 -1.087 -10.742 1.00 0.00 C ATOM 192 NE2 HIS A 12 -8.417 -0.996 -10.293 1.00 0.00 N ATOM 0 H HIS A 12 -11.796 -2.210 -4.905 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.995 -2.399 -7.820 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.068 -0.124 -7.096 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.695 -0.992 -6.440 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.690 -0.890 -8.216 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.925 -1.136 -11.787 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.562 -0.958 -10.848 1.00 0.00 H new ATOM 200 N LYS A 13 -10.330 -4.241 -7.804 1.00 0.00 N ATOM 201 CA LYS A 13 -9.537 -5.464 -7.754 1.00 0.00 C ATOM 202 C LYS A 13 -8.042 -5.167 -7.862 1.00 0.00 C ATOM 203 O LYS A 13 -7.635 -4.024 -8.076 1.00 0.00 O ATOM 204 CB LYS A 13 -9.973 -6.426 -8.865 1.00 0.00 C ATOM 205 CG LYS A 13 -9.502 -6.023 -10.256 1.00 0.00 C ATOM 206 CD LYS A 13 -9.435 -7.220 -11.193 1.00 0.00 C ATOM 207 CE LYS A 13 -8.419 -7.006 -12.305 1.00 0.00 C ATOM 208 NZ LYS A 13 -9.080 -6.686 -13.599 1.00 0.00 N ATOM 0 H LYS A 13 -10.729 -4.035 -8.720 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.712 -5.936 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.593 -7.422 -8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.061 -6.493 -8.867 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.180 -5.275 -10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.518 -5.558 -10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.171 -8.112 -10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.419 -7.398 -11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.744 -6.195 -12.031 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.810 -7.903 -12.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.357 -6.547 -14.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.705 -7.471 -13.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.641 -5.816 -13.496 1.00 0.00 H new ATOM 222 N CYS A 14 -7.232 -6.214 -7.717 1.00 0.00 N ATOM 223 CA CYS A 14 -5.778 -6.092 -7.800 1.00 0.00 C ATOM 224 C CYS A 14 -5.112 -7.420 -7.442 1.00 0.00 C ATOM 225 O CYS A 14 -5.132 -7.843 -6.288 1.00 0.00 O ATOM 226 CB CYS A 14 -5.274 -4.984 -6.870 1.00 0.00 C ATOM 227 SG CYS A 14 -4.572 -3.563 -7.740 1.00 0.00 S ATOM 0 H CYS A 14 -7.561 -7.163 -7.540 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.515 -5.830 -8.825 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.100 -4.644 -6.245 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.519 -5.399 -6.202 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.175 -2.677 -6.875 1.00 0.00 H new ATOM 233 N VAL A 15 -4.537 -8.079 -8.445 1.00 0.00 N ATOM 234 CA VAL A 15 -3.880 -9.369 -8.243 1.00 0.00 C ATOM 235 C VAL A 15 -2.565 -9.227 -7.484 1.00 0.00 C ATOM 236 O VAL A 15 -2.195 -10.099 -6.698 1.00 0.00 O ATOM 237 CB VAL A 15 -3.608 -10.077 -9.584 1.00 0.00 C ATOM 238 CG1 VAL A 15 -4.908 -10.579 -10.196 1.00 0.00 C ATOM 239 CG2 VAL A 15 -2.875 -9.148 -10.544 1.00 0.00 C ATOM 0 H VAL A 15 -4.512 -7.741 -9.407 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.567 -9.970 -7.648 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.968 -10.939 -9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.696 -11.076 -11.143 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.383 -11.284 -9.514 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.577 -9.736 -10.370 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.693 -9.667 -11.485 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.484 -8.263 -10.730 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.924 -8.848 -10.105 1.00 0.00 H new ATOM 249 N TYR A 16 -1.856 -8.132 -7.730 1.00 0.00 N ATOM 250 CA TYR A 16 -0.577 -7.893 -7.071 1.00 0.00 C ATOM 251 C TYR A 16 -0.750 -7.778 -5.560 1.00 0.00 C ATOM 252 O TYR A 16 0.154 -8.118 -4.795 1.00 0.00 O ATOM 253 CB TYR A 16 0.077 -6.629 -7.630 1.00 0.00 C ATOM 254 CG TYR A 16 1.212 -6.915 -8.585 1.00 0.00 C ATOM 255 CD1 TYR A 16 0.972 -7.497 -9.822 1.00 0.00 C ATOM 256 CD2 TYR A 16 2.525 -6.612 -8.246 1.00 0.00 C ATOM 257 CE1 TYR A 16 2.007 -7.767 -10.697 1.00 0.00 C ATOM 258 CE2 TYR A 16 3.565 -6.877 -9.115 1.00 0.00 C ATOM 259 CZ TYR A 16 3.300 -7.456 -10.338 1.00 0.00 C ATOM 260 OH TYR A 16 4.334 -7.723 -11.206 1.00 0.00 O ATOM 0 H TYR A 16 -2.143 -7.398 -8.378 1.00 0.00 H new ATOM 0 HA TYR A 16 0.073 -8.745 -7.271 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.679 -6.034 -8.143 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.451 -6.026 -6.803 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.041 -7.743 -10.105 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.736 -6.162 -7.287 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.803 -8.219 -11.656 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.580 -6.632 -8.838 1.00 0.00 H new ATOM 0 HH TYR A 16 5.181 -7.442 -10.802 1.00 0.00 H new ATOM 270 N CYS A 17 -1.915 -7.304 -5.132 1.00 0.00 N ATOM 271 CA CYS A 17 -2.197 -7.155 -3.708 1.00 0.00 C ATOM 272 C CYS A 17 -2.131 -8.506 -3.002 1.00 0.00 C ATOM 273 O CYS A 17 -1.528 -8.634 -1.936 1.00 0.00 O ATOM 274 CB CYS A 17 -3.575 -6.523 -3.498 1.00 0.00 C ATOM 275 SG CYS A 17 -3.900 -6.008 -1.794 1.00 0.00 S ATOM 0 H CYS A 17 -2.677 -7.017 -5.747 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.439 -6.499 -3.279 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.669 -5.656 -4.152 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.340 -7.237 -3.803 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.912 -5.193 -1.773 1.00 0.00 H new ATOM 281 N ASP A 18 -2.752 -9.513 -3.609 1.00 0.00 N ATOM 282 CA ASP A 18 -2.770 -10.860 -3.045 1.00 0.00 C ATOM 283 C ASP A 18 -1.354 -11.381 -2.806 1.00 0.00 C ATOM 284 O ASP A 18 -1.141 -12.260 -1.972 1.00 0.00 O ATOM 285 CB ASP A 18 -3.522 -11.814 -3.975 1.00 0.00 C ATOM 286 CG ASP A 18 -5.013 -11.821 -3.709 1.00 0.00 C ATOM 287 OD1 ASP A 18 -5.414 -12.195 -2.587 1.00 0.00 O ATOM 288 OD2 ASP A 18 -5.782 -11.453 -4.624 1.00 0.00 O ATOM 0 H ASP A 18 -3.251 -9.422 -4.494 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.283 -10.812 -2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.341 -11.526 -5.011 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.129 -12.823 -3.852 1.00 0.00 H new ATOM 293 N ASN A 19 -0.390 -10.843 -3.551 1.00 0.00 N ATOM 294 CA ASN A 19 1.001 -11.263 -3.418 1.00 0.00 C ATOM 295 C ASN A 19 1.665 -10.599 -2.217 1.00 0.00 C ATOM 296 O ASN A 19 2.333 -11.261 -1.422 1.00 0.00 O ATOM 297 CB ASN A 19 1.781 -10.937 -4.694 1.00 0.00 C ATOM 298 CG ASN A 19 1.498 -11.921 -5.813 1.00 0.00 C ATOM 299 OD1 ASN A 19 2.208 -12.912 -5.978 1.00 0.00 O ATOM 300 ND2 ASN A 19 0.455 -11.651 -6.590 1.00 0.00 N ATOM 0 H ASN A 19 -0.547 -10.118 -4.251 1.00 0.00 H new ATOM 0 HA ASN A 19 1.010 -12.341 -3.260 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.525 -9.931 -5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.849 -10.938 -4.474 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.216 -12.277 -7.359 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.107 -10.818 -6.418 1.00 0.00 H new ATOM 307 N ALA A 20 1.474 -9.290 -2.084 1.00 0.00 N ATOM 308 CA ALA A 20 2.057 -8.544 -0.975 1.00 0.00 C ATOM 309 C ALA A 20 1.620 -9.131 0.360 1.00 0.00 C ATOM 310 O ALA A 20 2.448 -9.457 1.209 1.00 0.00 O ATOM 311 CB ALA A 20 1.668 -7.076 -1.063 1.00 0.00 C ATOM 0 H ALA A 20 0.921 -8.725 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 20 3.142 -8.622 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.110 -6.532 -0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.032 -6.659 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.583 -6.984 -1.021 1.00 0.00 H new ATOM 317 N LYS A 21 0.310 -9.271 0.532 1.00 0.00 N ATOM 318 CA LYS A 21 -0.243 -9.829 1.760 1.00 0.00 C ATOM 319 C LYS A 21 0.276 -11.245 1.984 1.00 0.00 C ATOM 320 O LYS A 21 0.672 -11.604 3.093 1.00 0.00 O ATOM 321 CB LYS A 21 -1.772 -9.836 1.699 1.00 0.00 C ATOM 322 CG LYS A 21 -2.436 -9.933 3.063 1.00 0.00 C ATOM 323 CD LYS A 21 -3.867 -10.433 2.950 1.00 0.00 C ATOM 324 CE LYS A 21 -3.915 -11.913 2.607 1.00 0.00 C ATOM 325 NZ LYS A 21 -5.092 -12.587 3.221 1.00 0.00 N ATOM 0 H LYS A 21 -0.388 -9.006 -0.163 1.00 0.00 H new ATOM 0 HA LYS A 21 0.074 -9.204 2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.111 -8.927 1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.099 -10.675 1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.863 -10.606 3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.428 -8.955 3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.389 -10.259 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.393 -9.864 2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.951 -12.034 1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.000 -12.395 2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.089 -13.595 2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.045 -12.494 4.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.966 -12.144 2.873 1.00 0.00 H new ATOM 339 N ARG A 22 0.277 -12.044 0.921 1.00 0.00 N ATOM 340 CA ARG A 22 0.756 -13.418 1.002 1.00 0.00 C ATOM 341 C ARG A 22 2.231 -13.445 1.382 1.00 0.00 C ATOM 342 O ARG A 22 2.654 -14.243 2.218 1.00 0.00 O ATOM 343 CB ARG A 22 0.547 -14.137 -0.333 1.00 0.00 C ATOM 344 CG ARG A 22 0.995 -15.589 -0.320 1.00 0.00 C ATOM 345 CD ARG A 22 -0.059 -16.491 0.304 1.00 0.00 C ATOM 346 NE ARG A 22 0.421 -17.860 0.469 1.00 0.00 N ATOM 347 CZ ARG A 22 -0.376 -18.903 0.692 1.00 0.00 C ATOM 348 NH1 ARG A 22 -1.690 -18.737 0.776 1.00 0.00 N ATOM 349 NH2 ARG A 22 0.143 -20.115 0.829 1.00 0.00 N ATOM 0 H ARG A 22 -0.048 -11.763 -0.004 1.00 0.00 H new ATOM 0 HA ARG A 22 0.185 -13.935 1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.510 -14.094 -0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.092 -13.604 -1.112 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.199 -15.917 -1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.928 -15.678 0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.351 -16.090 1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.951 -16.493 -0.322 1.00 0.00 H new ATOM 0 HE ARG A 22 1.425 -18.027 0.410 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.094 -17.807 0.670 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.296 -19.540 0.947 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.152 -20.248 0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.467 -20.915 1.000 1.00 0.00 H new ATOM 363 N LEU A 23 3.005 -12.551 0.773 1.00 0.00 N ATOM 364 CA LEU A 23 4.433 -12.456 1.053 1.00 0.00 C ATOM 365 C LEU A 23 4.661 -12.217 2.540 1.00 0.00 C ATOM 366 O LEU A 23 5.399 -12.952 3.193 1.00 0.00 O ATOM 367 CB LEU A 23 5.054 -11.319 0.232 1.00 0.00 C ATOM 368 CG LEU A 23 6.464 -10.890 0.652 1.00 0.00 C ATOM 369 CD1 LEU A 23 7.180 -10.216 -0.507 1.00 0.00 C ATOM 370 CD2 LEU A 23 6.404 -9.956 1.853 1.00 0.00 C ATOM 0 H LEU A 23 2.666 -11.882 0.082 1.00 0.00 H new ATOM 0 HA LEU A 23 4.911 -13.394 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.083 -11.625 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.397 -10.451 0.292 1.00 0.00 H new ATOM 0 HG LEU A 23 7.024 -11.781 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.180 -9.917 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.255 -10.912 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.619 -9.335 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.415 -9.662 2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.827 -9.068 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.927 -10.468 2.689 1.00 0.00 H new ATOM 382 N LEU A 24 4.011 -11.186 3.068 1.00 0.00 N ATOM 383 CA LEU A 24 4.133 -10.847 4.480 1.00 0.00 C ATOM 384 C LEU A 24 3.684 -12.013 5.350 1.00 0.00 C ATOM 385 O LEU A 24 4.342 -12.357 6.332 1.00 0.00 O ATOM 386 CB LEU A 24 3.303 -9.604 4.799 1.00 0.00 C ATOM 387 CG LEU A 24 3.875 -8.294 4.260 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.758 -7.336 3.886 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.800 -7.659 5.285 1.00 0.00 C ATOM 0 H LEU A 24 3.394 -10.570 2.539 1.00 0.00 H new ATOM 0 HA LEU A 24 5.181 -10.637 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.301 -9.740 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.200 -9.521 5.881 1.00 0.00 H new ATOM 0 HG LEU A 24 4.452 -8.514 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.186 -6.409 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.132 -7.790 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.153 -7.121 4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.200 -6.727 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.243 -7.454 6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.621 -8.341 5.506 1.00 0.00 H new ATOM 401 N THR A 25 2.565 -12.626 4.975 1.00 0.00 N ATOM 402 CA THR A 25 2.038 -13.765 5.714 1.00 0.00 C ATOM 403 C THR A 25 3.065 -14.892 5.737 1.00 0.00 C ATOM 404 O THR A 25 3.305 -15.512 6.773 1.00 0.00 O ATOM 405 CB THR A 25 0.734 -14.254 5.079 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.239 -13.225 5.077 1.00 0.00 O ATOM 407 CG2 THR A 25 0.134 -15.450 5.787 1.00 0.00 C ATOM 0 H THR A 25 2.008 -12.353 4.165 1.00 0.00 H new ATOM 0 HA THR A 25 1.831 -13.453 6.738 1.00 0.00 H new ATOM 0 HB THR A 25 1.001 -14.549 4.064 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.043 -12.509 4.470 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.788 -15.745 5.286 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.841 -16.279 5.763 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.084 -15.188 6.822 1.00 0.00 H new ATOM 415 N VAL A 26 3.680 -15.135 4.582 1.00 0.00 N ATOM 416 CA VAL A 26 4.697 -16.171 4.453 1.00 0.00 C ATOM 417 C VAL A 26 5.973 -15.759 5.180 1.00 0.00 C ATOM 418 O VAL A 26 6.634 -16.581 5.817 1.00 0.00 O ATOM 419 CB VAL A 26 5.023 -16.447 2.972 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.025 -17.582 2.837 1.00 0.00 C ATOM 421 CG2 VAL A 26 3.751 -16.756 2.195 1.00 0.00 C ATOM 0 H VAL A 26 3.489 -14.625 3.719 1.00 0.00 H new ATOM 0 HA VAL A 26 4.299 -17.081 4.902 1.00 0.00 H new ATOM 0 HB VAL A 26 5.475 -15.549 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.238 -17.756 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.947 -17.317 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.610 -18.488 3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.000 -16.948 1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.269 -17.636 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.072 -15.905 2.255 1.00 0.00 H new ATOM 431 N LYS A 27 6.306 -14.476 5.085 1.00 0.00 N ATOM 432 CA LYS A 27 7.494 -13.938 5.737 1.00 0.00 C ATOM 433 C LYS A 27 7.277 -13.816 7.246 1.00 0.00 C ATOM 434 O LYS A 27 8.216 -13.549 7.996 1.00 0.00 O ATOM 435 CB LYS A 27 7.846 -12.569 5.146 1.00 0.00 C ATOM 436 CG LYS A 27 9.334 -12.366 4.902 1.00 0.00 C ATOM 437 CD LYS A 27 10.013 -11.723 6.099 1.00 0.00 C ATOM 438 CE LYS A 27 11.472 -12.135 6.204 1.00 0.00 C ATOM 439 NZ LYS A 27 11.633 -13.615 6.186 1.00 0.00 N ATOM 0 H LYS A 27 5.767 -13.787 4.560 1.00 0.00 H new ATOM 0 HA LYS A 27 8.321 -14.626 5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.313 -12.443 4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.489 -11.791 5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.803 -13.327 4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.477 -11.740 4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.946 -10.638 6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.488 -12.006 7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.033 -11.699 5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.897 -11.735 7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.483 -13.878 6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.798 -14.060 6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.730 -13.942 5.203 1.00 0.00 H new ATOM 453 N LYS A 28 6.032 -14.010 7.683 1.00 0.00 N ATOM 454 CA LYS A 28 5.687 -13.918 9.095 1.00 0.00 C ATOM 455 C LYS A 28 5.908 -12.493 9.601 1.00 0.00 C ATOM 456 O LYS A 28 6.694 -12.252 10.513 1.00 0.00 O ATOM 457 CB LYS A 28 6.507 -14.937 9.901 1.00 0.00 C ATOM 458 CG LYS A 28 6.397 -14.785 11.413 1.00 0.00 C ATOM 459 CD LYS A 28 7.766 -14.793 12.079 1.00 0.00 C ATOM 460 CE LYS A 28 8.673 -13.705 11.521 1.00 0.00 C ATOM 461 NZ LYS A 28 10.114 -14.052 11.670 1.00 0.00 N ATOM 0 H LYS A 28 5.245 -14.233 7.073 1.00 0.00 H new ATOM 0 HA LYS A 28 4.631 -14.156 9.226 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.186 -15.942 9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.555 -14.848 9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.883 -13.853 11.649 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.790 -15.595 11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.648 -14.652 13.153 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.235 -15.766 11.935 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.445 -13.547 10.467 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.471 -12.765 12.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.698 -13.286 11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.338 -14.177 12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.313 -14.935 11.158 1.00 0.00 H new ATOM 475 N GLN A 29 5.200 -11.547 8.991 1.00 0.00 N ATOM 476 CA GLN A 29 5.314 -10.146 9.370 1.00 0.00 C ATOM 477 C GLN A 29 3.978 -9.424 9.213 1.00 0.00 C ATOM 478 O GLN A 29 3.527 -9.181 8.093 1.00 0.00 O ATOM 479 CB GLN A 29 6.379 -9.451 8.516 1.00 0.00 C ATOM 480 CG GLN A 29 7.794 -9.644 9.039 1.00 0.00 C ATOM 481 CD GLN A 29 8.321 -8.426 9.775 1.00 0.00 C ATOM 482 OE1 GLN A 29 9.506 -8.104 9.693 1.00 0.00 O ATOM 483 NE2 GLN A 29 7.444 -7.742 10.502 1.00 0.00 N ATOM 0 H GLN A 29 4.542 -11.727 8.233 1.00 0.00 H new ATOM 0 HA GLN A 29 5.608 -10.105 10.419 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.322 -9.832 7.496 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.159 -8.384 8.471 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.815 -10.504 9.708 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.457 -9.873 8.204 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.470 -8.043 10.543 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.744 -6.916 11.019 1.00 0.00 H new ATOM 492 N PRO A 30 3.322 -9.066 10.333 1.00 0.00 N ATOM 493 CA PRO A 30 2.038 -8.361 10.305 1.00 0.00 C ATOM 494 C PRO A 30 2.045 -7.189 9.339 1.00 0.00 C ATOM 495 O PRO A 30 3.078 -6.864 8.752 1.00 0.00 O ATOM 496 CB PRO A 30 1.898 -7.844 11.737 1.00 0.00 C ATOM 497 CG PRO A 30 2.618 -8.847 12.559 1.00 0.00 C ATOM 498 CD PRO A 30 3.778 -9.313 11.717 1.00 0.00 C ATOM 0 HA PRO A 30 1.225 -9.008 9.976 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.335 -6.852 11.846 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.851 -7.765 12.031 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.965 -8.409 13.495 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.965 -9.680 12.820 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.688 -8.758 11.945 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.998 -10.367 11.885 1.00 0.00 H new ATOM 506 N PHE A 31 0.899 -6.540 9.199 1.00 0.00 N ATOM 507 CA PHE A 31 0.794 -5.379 8.330 1.00 0.00 C ATOM 508 C PHE A 31 -0.474 -4.583 8.625 1.00 0.00 C ATOM 509 O PHE A 31 -1.349 -5.036 9.363 1.00 0.00 O ATOM 510 CB PHE A 31 0.827 -5.789 6.863 1.00 0.00 C ATOM 511 CG PHE A 31 -0.016 -6.984 6.576 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.434 -8.249 6.895 1.00 0.00 C ATOM 513 CD2 PHE A 31 -1.259 -6.839 5.997 1.00 0.00 C ATOM 514 CE1 PHE A 31 -0.342 -9.356 6.643 1.00 0.00 C ATOM 515 CE2 PHE A 31 -2.046 -7.942 5.737 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.587 -9.206 6.061 1.00 0.00 C ATOM 0 H PHE A 31 0.033 -6.796 9.673 1.00 0.00 H new ATOM 0 HA PHE A 31 1.655 -4.741 8.531 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.486 -4.955 6.250 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.856 -5.999 6.573 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.407 -8.371 7.348 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.620 -5.853 5.745 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.020 -10.341 6.899 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.018 -7.819 5.282 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.199 -10.073 5.860 1.00 0.00 H new ATOM 526 N GLU A 32 -0.567 -3.406 8.023 1.00 0.00 N ATOM 527 CA GLU A 32 -1.729 -2.539 8.192 1.00 0.00 C ATOM 528 C GLU A 32 -2.204 -2.019 6.837 1.00 0.00 C ATOM 529 O GLU A 32 -1.465 -1.331 6.135 1.00 0.00 O ATOM 530 CB GLU A 32 -1.389 -1.364 9.111 1.00 0.00 C ATOM 531 CG GLU A 32 -2.566 -0.879 9.942 1.00 0.00 C ATOM 532 CD GLU A 32 -2.140 -0.308 11.281 1.00 0.00 C ATOM 533 OE1 GLU A 32 -0.941 -0.411 11.619 1.00 0.00 O ATOM 534 OE2 GLU A 32 -3.007 0.241 11.995 1.00 0.00 O ATOM 0 H GLU A 32 0.153 -3.026 7.408 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.530 -3.122 8.648 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.580 -1.659 9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.017 -0.537 8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.111 -0.118 9.384 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.255 -1.707 10.107 1.00 0.00 H new ATOM 541 N PHE A 33 -3.432 -2.359 6.463 1.00 0.00 N ATOM 542 CA PHE A 33 -3.981 -1.929 5.185 1.00 0.00 C ATOM 543 C PHE A 33 -4.695 -0.585 5.300 1.00 0.00 C ATOM 544 O PHE A 33 -5.104 -0.174 6.384 1.00 0.00 O ATOM 545 CB PHE A 33 -4.947 -2.981 4.641 1.00 0.00 C ATOM 546 CG PHE A 33 -5.000 -3.002 3.145 1.00 0.00 C ATOM 547 CD1 PHE A 33 -3.874 -3.327 2.412 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.169 -2.688 2.472 1.00 0.00 C ATOM 549 CE1 PHE A 33 -3.907 -3.338 1.032 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.210 -2.698 1.090 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.077 -3.023 0.369 1.00 0.00 C ATOM 0 H PHE A 33 -4.064 -2.929 7.025 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.146 -1.810 4.495 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.647 -3.964 5.003 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.946 -2.788 5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.957 -3.575 2.925 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.057 -2.433 3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.019 -3.592 0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.127 -2.452 0.575 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.106 -3.031 -0.711 1.00 0.00 H new ATOM 561 N ILE A 34 -4.839 0.089 4.161 1.00 0.00 N ATOM 562 CA ILE A 34 -5.504 1.384 4.102 1.00 0.00 C ATOM 563 C ILE A 34 -6.249 1.544 2.786 1.00 0.00 C ATOM 564 O ILE A 34 -5.665 1.448 1.706 1.00 0.00 O ATOM 565 CB ILE A 34 -4.513 2.545 4.264 1.00 0.00 C ATOM 566 CG1 ILE A 34 -3.614 2.299 5.476 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.259 3.863 4.406 1.00 0.00 C ATOM 568 CD1 ILE A 34 -2.478 3.289 5.599 1.00 0.00 C ATOM 0 H ILE A 34 -4.500 -0.246 3.260 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.210 1.415 4.932 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.888 2.603 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.220 2.340 6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.202 1.292 5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.542 4.676 4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.865 4.036 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.905 3.823 5.283 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.883 3.052 6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.849 3.233 4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.882 4.297 5.694 1.00 0.00 H new ATOM 580 N ASN A 35 -7.544 1.774 2.894 1.00 0.00 N ATOM 581 CA ASN A 35 -8.403 1.939 1.726 1.00 0.00 C ATOM 582 C ASN A 35 -8.355 3.370 1.205 1.00 0.00 C ATOM 583 O ASN A 35 -8.639 4.320 1.936 1.00 0.00 O ATOM 584 CB ASN A 35 -9.844 1.558 2.072 1.00 0.00 C ATOM 585 CG ASN A 35 -10.382 2.340 3.256 1.00 0.00 C ATOM 586 OD1 ASN A 35 -9.674 3.151 3.854 1.00 0.00 O ATOM 587 ND2 ASN A 35 -11.642 2.098 3.602 1.00 0.00 N ATOM 0 H ASN A 35 -8.032 1.852 3.786 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.035 1.278 0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.481 1.733 1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.892 0.492 2.293 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.058 2.593 4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.193 1.418 3.079 1.00 0.00 H new ATOM 594 N ILE A 36 -7.993 3.518 -0.065 1.00 0.00 N ATOM 595 CA ILE A 36 -7.909 4.834 -0.684 1.00 0.00 C ATOM 596 C ILE A 36 -9.139 5.132 -1.533 1.00 0.00 C ATOM 597 O ILE A 36 -9.503 6.291 -1.728 1.00 0.00 O ATOM 598 CB ILE A 36 -6.652 4.958 -1.564 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.611 3.828 -2.593 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.401 4.946 -0.700 1.00 0.00 C ATOM 601 CD1 ILE A 36 -5.711 4.117 -3.775 1.00 0.00 C ATOM 0 H ILE A 36 -7.754 2.744 -0.684 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.853 5.558 0.129 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.690 5.907 -2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.272 2.915 -2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.622 3.640 -2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.519 5.034 -1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.432 5.784 -0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.354 4.011 -0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.732 3.272 -4.463 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.061 5.012 -4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.691 4.275 -3.425 1.00 0.00 H new ATOM 613 N MET A 37 -9.778 4.081 -2.041 1.00 0.00 N ATOM 614 CA MET A 37 -10.963 4.246 -2.872 1.00 0.00 C ATOM 615 C MET A 37 -12.170 3.526 -2.275 1.00 0.00 C ATOM 616 O MET A 37 -12.380 2.338 -2.524 1.00 0.00 O ATOM 617 CB MET A 37 -10.701 3.732 -4.289 1.00 0.00 C ATOM 618 CG MET A 37 -11.939 3.737 -5.174 1.00 0.00 C ATOM 619 SD MET A 37 -11.665 4.556 -6.757 1.00 0.00 S ATOM 620 CE MET A 37 -10.351 3.543 -7.428 1.00 0.00 C ATOM 0 H MET A 37 -9.496 3.112 -1.892 1.00 0.00 H new ATOM 0 HA MET A 37 -11.188 5.312 -2.913 1.00 0.00 H new ATOM 0 HB2 MET A 37 -9.930 4.346 -4.753 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.309 2.717 -4.232 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.257 2.710 -5.352 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.753 4.236 -4.649 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.306 3.675 -8.509 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.400 3.841 -6.986 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.546 2.495 -7.198 1.00 0.00 H new ATOM 630 N PRO A 38 -12.987 4.240 -1.484 1.00 0.00 N ATOM 631 CA PRO A 38 -14.180 3.671 -0.862 1.00 0.00 C ATOM 632 C PRO A 38 -15.377 3.654 -1.813 1.00 0.00 C ATOM 633 O PRO A 38 -16.470 3.231 -1.441 1.00 0.00 O ATOM 634 CB PRO A 38 -14.435 4.622 0.304 1.00 0.00 C ATOM 635 CG PRO A 38 -13.949 5.946 -0.181 1.00 0.00 C ATOM 636 CD PRO A 38 -12.817 5.665 -1.139 1.00 0.00 C ATOM 0 HA PRO A 38 -14.042 2.631 -0.567 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.493 4.658 0.563 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.899 4.306 1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.750 6.495 -0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.609 6.562 0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.876 6.300 -2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.847 5.851 -0.677 1.00 0.00 H new ATOM 644 N GLU A 39 -15.160 4.121 -3.042 1.00 0.00 N ATOM 645 CA GLU A 39 -16.218 4.163 -4.044 1.00 0.00 C ATOM 646 C GLU A 39 -15.672 3.794 -5.419 1.00 0.00 C ATOM 647 O GLU A 39 -14.588 4.234 -5.803 1.00 0.00 O ATOM 648 CB GLU A 39 -16.848 5.556 -4.086 1.00 0.00 C ATOM 649 CG GLU A 39 -17.190 6.109 -2.711 1.00 0.00 C ATOM 650 CD GLU A 39 -17.855 7.469 -2.776 1.00 0.00 C ATOM 651 OE1 GLU A 39 -17.504 8.259 -3.680 1.00 0.00 O ATOM 652 OE2 GLU A 39 -18.726 7.746 -1.925 1.00 0.00 O ATOM 0 H GLU A 39 -14.260 4.475 -3.365 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.982 3.436 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.162 6.241 -4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.755 5.518 -4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.850 5.411 -2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.279 6.183 -2.117 1.00 0.00 H new ATOM 659 N LYS A 40 -16.424 2.986 -6.161 1.00 0.00 N ATOM 660 CA LYS A 40 -16.000 2.561 -7.494 1.00 0.00 C ATOM 661 C LYS A 40 -15.936 3.731 -8.463 1.00 0.00 C ATOM 662 O LYS A 40 -15.443 3.605 -9.585 1.00 0.00 O ATOM 663 CB LYS A 40 -16.920 1.464 -8.035 1.00 0.00 C ATOM 664 CG LYS A 40 -17.084 0.285 -7.088 1.00 0.00 C ATOM 665 CD LYS A 40 -18.233 -0.615 -7.515 1.00 0.00 C ATOM 666 CE LYS A 40 -19.549 -0.178 -6.888 1.00 0.00 C ATOM 667 NZ LYS A 40 -19.660 -0.612 -5.468 1.00 0.00 N ATOM 0 H LYS A 40 -17.326 2.613 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 40 -14.993 2.154 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.901 1.893 -8.241 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -16.523 1.104 -8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.160 -0.292 -7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.263 0.651 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.324 -0.600 -8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.016 -1.644 -7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.635 0.907 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.379 -0.593 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.570 -0.295 -5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.604 -1.649 -5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.883 -0.196 -4.916 1.00 0.00 H new ATOM 681 N GLY A 41 -16.424 4.862 -8.010 1.00 0.00 N ATOM 682 CA GLY A 41 -16.422 6.067 -8.816 1.00 0.00 C ATOM 683 C GLY A 41 -15.180 6.905 -8.586 1.00 0.00 C ATOM 684 O GLY A 41 -14.329 7.025 -9.469 1.00 0.00 O ATOM 0 H GLY A 41 -16.831 4.976 -7.082 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -16.487 5.798 -9.870 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -17.307 6.660 -8.583 1.00 0.00 H new ATOM 688 N VAL A 42 -15.073 7.481 -7.392 1.00 0.00 N ATOM 689 CA VAL A 42 -13.926 8.309 -7.047 1.00 0.00 C ATOM 690 C VAL A 42 -13.396 7.964 -5.661 1.00 0.00 C ATOM 691 O VAL A 42 -14.166 7.802 -4.714 1.00 0.00 O ATOM 692 CB VAL A 42 -14.278 9.808 -7.092 1.00 0.00 C ATOM 693 CG1 VAL A 42 -13.020 10.655 -6.988 1.00 0.00 C ATOM 694 CG2 VAL A 42 -15.046 10.137 -8.362 1.00 0.00 C ATOM 0 H VAL A 42 -15.766 7.389 -6.650 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.155 8.104 -7.790 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.915 10.039 -6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.288 11.711 -7.022 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.513 10.439 -6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.355 10.423 -7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.286 11.200 -8.377 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.435 9.891 -9.231 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.968 9.556 -8.390 1.00 0.00 H new ATOM 704 N PHE A 43 -12.077 7.855 -5.546 1.00 0.00 N ATOM 705 CA PHE A 43 -11.451 7.527 -4.267 1.00 0.00 C ATOM 706 C PHE A 43 -11.714 8.614 -3.233 1.00 0.00 C ATOM 707 O PHE A 43 -12.209 9.693 -3.560 1.00 0.00 O ATOM 708 CB PHE A 43 -9.942 7.308 -4.416 1.00 0.00 C ATOM 709 CG PHE A 43 -9.323 8.042 -5.568 1.00 0.00 C ATOM 710 CD1 PHE A 43 -9.271 9.423 -5.576 1.00 0.00 C ATOM 711 CD2 PHE A 43 -8.795 7.345 -6.638 1.00 0.00 C ATOM 712 CE1 PHE A 43 -8.701 10.101 -6.636 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.223 8.014 -7.703 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.175 9.395 -7.702 1.00 0.00 C ATOM 0 H PHE A 43 -11.422 7.988 -6.317 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.901 6.596 -3.923 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.449 7.619 -3.495 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.751 6.241 -4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.680 9.978 -4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.830 6.266 -6.642 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.666 11.180 -6.632 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.814 7.459 -8.534 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.728 9.922 -8.532 1.00 0.00 H new ATOM 724 N ASP A 44 -11.377 8.322 -1.980 1.00 0.00 N ATOM 725 CA ASP A 44 -11.578 9.273 -0.893 1.00 0.00 C ATOM 726 C ASP A 44 -10.456 10.305 -0.854 1.00 0.00 C ATOM 727 O ASP A 44 -9.284 9.956 -0.717 1.00 0.00 O ATOM 728 CB ASP A 44 -11.657 8.540 0.449 1.00 0.00 C ATOM 729 CG ASP A 44 -12.764 9.078 1.334 1.00 0.00 C ATOM 730 OD1 ASP A 44 -13.038 10.294 1.267 1.00 0.00 O ATOM 731 OD2 ASP A 44 -13.354 8.283 2.095 1.00 0.00 O ATOM 0 H ASP A 44 -10.964 7.435 -1.693 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.519 9.793 -1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.821 7.477 0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.703 8.632 0.968 1.00 0.00 H new ATOM 736 N ASP A 45 -10.824 11.576 -0.971 1.00 0.00 N ATOM 737 CA ASP A 45 -9.847 12.659 -0.946 1.00 0.00 C ATOM 738 C ASP A 45 -9.082 12.676 0.375 1.00 0.00 C ATOM 739 O ASP A 45 -7.976 13.209 0.455 1.00 0.00 O ATOM 740 CB ASP A 45 -10.543 14.004 -1.159 1.00 0.00 C ATOM 741 CG ASP A 45 -11.184 14.113 -2.529 1.00 0.00 C ATOM 742 OD1 ASP A 45 -10.452 14.366 -3.508 1.00 0.00 O ATOM 743 OD2 ASP A 45 -12.418 13.943 -2.622 1.00 0.00 O ATOM 0 H ASP A 45 -11.791 11.882 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 45 -9.136 12.490 -1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.306 14.141 -0.392 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.818 14.809 -1.035 1.00 0.00 H new ATOM 748 N GLU A 46 -9.676 12.089 1.410 1.00 0.00 N ATOM 749 CA GLU A 46 -9.049 12.040 2.725 1.00 0.00 C ATOM 750 C GLU A 46 -7.773 11.206 2.690 1.00 0.00 C ATOM 751 O GLU A 46 -6.693 11.693 3.027 1.00 0.00 O ATOM 752 CB GLU A 46 -10.020 11.464 3.756 1.00 0.00 C ATOM 753 CG GLU A 46 -11.439 11.988 3.613 1.00 0.00 C ATOM 754 CD GLU A 46 -12.195 11.994 4.927 1.00 0.00 C ATOM 755 OE1 GLU A 46 -12.705 10.924 5.323 1.00 0.00 O ATOM 756 OE2 GLU A 46 -12.276 13.067 5.560 1.00 0.00 O ATOM 0 H GLU A 46 -10.591 11.641 1.362 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.788 13.059 3.012 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.032 10.378 3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.655 11.696 4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.409 13.001 3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.978 11.374 2.891 1.00 0.00 H new ATOM 763 N LYS A 47 -7.902 9.950 2.277 1.00 0.00 N ATOM 764 CA LYS A 47 -6.755 9.055 2.196 1.00 0.00 C ATOM 765 C LYS A 47 -5.763 9.544 1.149 1.00 0.00 C ATOM 766 O LYS A 47 -4.560 9.614 1.404 1.00 0.00 O ATOM 767 CB LYS A 47 -7.206 7.630 1.863 1.00 0.00 C ATOM 768 CG LYS A 47 -8.377 7.148 2.705 1.00 0.00 C ATOM 769 CD LYS A 47 -7.906 6.330 3.897 1.00 0.00 C ATOM 770 CE LYS A 47 -9.077 5.864 4.748 1.00 0.00 C ATOM 771 NZ LYS A 47 -9.464 6.879 5.766 1.00 0.00 N ATOM 0 H LYS A 47 -8.787 9.530 1.994 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.262 9.050 3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.483 7.583 0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.365 6.950 2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.952 8.005 3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.045 6.545 2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.342 5.465 3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.228 6.928 4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.931 5.652 4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.814 4.931 5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.265 6.522 6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.658 7.064 6.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.740 7.761 5.289 1.00 0.00 H new ATOM 785 N ILE A 48 -6.274 9.891 -0.029 1.00 0.00 N ATOM 786 CA ILE A 48 -5.430 10.382 -1.111 1.00 0.00 C ATOM 787 C ILE A 48 -4.673 11.632 -0.671 1.00 0.00 C ATOM 788 O ILE A 48 -3.500 11.808 -1.001 1.00 0.00 O ATOM 789 CB ILE A 48 -6.266 10.687 -2.380 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.476 9.410 -3.194 1.00 0.00 C ATOM 791 CG2 ILE A 48 -5.600 11.756 -3.240 1.00 0.00 C ATOM 792 CD1 ILE A 48 -7.272 8.349 -2.467 1.00 0.00 C ATOM 0 H ILE A 48 -7.267 9.841 -0.257 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.712 9.599 -1.355 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.235 11.070 -2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.987 9.662 -4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.504 8.999 -3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.212 11.947 -4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.498 12.675 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.614 11.411 -3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.380 7.473 -3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.752 8.068 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -8.258 8.741 -2.218 1.00 0.00 H new ATOM 804 N ALA A 49 -5.348 12.494 0.081 1.00 0.00 N ATOM 805 CA ALA A 49 -4.733 13.720 0.572 1.00 0.00 C ATOM 806 C ALA A 49 -3.615 13.397 1.555 1.00 0.00 C ATOM 807 O ALA A 49 -2.523 13.958 1.479 1.00 0.00 O ATOM 808 CB ALA A 49 -5.775 14.613 1.228 1.00 0.00 C ATOM 0 H ALA A 49 -6.320 12.366 0.363 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.305 14.255 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.298 15.524 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.544 14.870 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.231 14.086 2.066 1.00 0.00 H new ATOM 814 N GLU A 50 -3.898 12.476 2.471 1.00 0.00 N ATOM 815 CA GLU A 50 -2.918 12.062 3.467 1.00 0.00 C ATOM 816 C GLU A 50 -1.762 11.324 2.800 1.00 0.00 C ATOM 817 O GLU A 50 -0.600 11.525 3.150 1.00 0.00 O ATOM 818 CB GLU A 50 -3.578 11.166 4.519 1.00 0.00 C ATOM 819 CG GLU A 50 -2.588 10.497 5.464 1.00 0.00 C ATOM 820 CD GLU A 50 -2.919 10.739 6.923 1.00 0.00 C ATOM 821 OE1 GLU A 50 -4.114 10.910 7.242 1.00 0.00 O ATOM 822 OE2 GLU A 50 -1.982 10.758 7.749 1.00 0.00 O ATOM 0 H GLU A 50 -4.799 12.003 2.543 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.526 12.952 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.278 11.763 5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.161 10.396 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.576 9.424 5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.585 10.870 5.256 1.00 0.00 H new ATOM 829 N LEU A 51 -2.091 10.473 1.832 1.00 0.00 N ATOM 830 CA LEU A 51 -1.080 9.708 1.115 1.00 0.00 C ATOM 831 C LEU A 51 -0.065 10.638 0.464 1.00 0.00 C ATOM 832 O LEU A 51 1.142 10.466 0.627 1.00 0.00 O ATOM 833 CB LEU A 51 -1.736 8.825 0.053 1.00 0.00 C ATOM 834 CG LEU A 51 -0.763 8.012 -0.803 1.00 0.00 C ATOM 835 CD1 LEU A 51 0.264 7.311 0.072 1.00 0.00 C ATOM 836 CD2 LEU A 51 -1.519 7.000 -1.651 1.00 0.00 C ATOM 0 H LEU A 51 -3.049 10.297 1.528 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.560 9.072 1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.423 8.138 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.334 9.456 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.236 8.697 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.947 6.738 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.827 8.053 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.245 6.638 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.812 6.430 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.072 6.321 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.216 7.523 -2.306 1.00 0.00 H new ATOM 848 N LEU A 52 -0.563 11.629 -0.270 1.00 0.00 N ATOM 849 CA LEU A 52 0.294 12.593 -0.940 1.00 0.00 C ATOM 850 C LEU A 52 1.280 13.225 0.032 1.00 0.00 C ATOM 851 O LEU A 52 2.473 13.331 -0.252 1.00 0.00 O ATOM 852 CB LEU A 52 -0.561 13.648 -1.583 1.00 0.00 C ATOM 853 CG LEU A 52 -1.328 13.124 -2.779 1.00 0.00 C ATOM 854 CD1 LEU A 52 -2.234 14.193 -3.289 1.00 0.00 C ATOM 855 CD2 LEU A 52 -0.372 12.655 -3.863 1.00 0.00 C ATOM 0 H LEU A 52 -1.561 11.783 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 52 0.875 12.076 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.264 14.039 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.069 14.481 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.929 12.266 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.788 13.820 -4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.934 14.482 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.643 15.060 -3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.942 12.282 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.253 13.489 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.259 11.857 -3.471 1.00 0.00 H new ATOM 867 N THR A 53 0.768 13.629 1.189 1.00 0.00 N ATOM 868 CA THR A 53 1.596 14.238 2.221 1.00 0.00 C ATOM 869 C THR A 53 2.558 13.208 2.803 1.00 0.00 C ATOM 870 O THR A 53 3.682 13.537 3.180 1.00 0.00 O ATOM 871 CB THR A 53 0.720 14.824 3.330 1.00 0.00 C ATOM 872 OG1 THR A 53 -0.180 15.783 2.803 1.00 0.00 O ATOM 873 CG2 THR A 53 1.514 15.496 4.429 1.00 0.00 C ATOM 0 H THR A 53 -0.218 13.545 1.435 1.00 0.00 H new ATOM 0 HA THR A 53 2.175 15.044 1.770 1.00 0.00 H new ATOM 0 HB THR A 53 0.188 13.974 3.757 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.941 15.325 2.388 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.832 15.889 5.182 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.184 14.770 4.890 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.099 16.313 4.007 1.00 0.00 H new ATOM 881 N LYS A 54 2.107 11.958 2.862 1.00 0.00 N ATOM 882 CA LYS A 54 2.928 10.875 3.387 1.00 0.00 C ATOM 883 C LYS A 54 4.151 10.658 2.502 1.00 0.00 C ATOM 884 O LYS A 54 5.253 10.415 2.993 1.00 0.00 O ATOM 885 CB LYS A 54 2.105 9.584 3.487 1.00 0.00 C ATOM 886 CG LYS A 54 1.661 9.256 4.904 1.00 0.00 C ATOM 887 CD LYS A 54 2.794 8.658 5.723 1.00 0.00 C ATOM 888 CE LYS A 54 2.559 7.183 6.009 1.00 0.00 C ATOM 889 NZ LYS A 54 3.467 6.672 7.073 1.00 0.00 N ATOM 0 H LYS A 54 1.178 11.672 2.553 1.00 0.00 H new ATOM 0 HA LYS A 54 3.268 11.149 4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.225 9.673 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.696 8.755 3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.298 10.161 5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.826 8.556 4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.735 8.780 5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.890 9.201 6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.523 7.033 6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.710 6.608 5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.275 5.663 7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.456 6.792 6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.305 7.204 7.952 1.00 0.00 H new ATOM 903 N LEU A 55 3.948 10.763 1.191 1.00 0.00 N ATOM 904 CA LEU A 55 5.030 10.591 0.228 1.00 0.00 C ATOM 905 C LEU A 55 6.122 11.634 0.442 1.00 0.00 C ATOM 906 O LEU A 55 7.244 11.305 0.827 1.00 0.00 O ATOM 907 CB LEU A 55 4.487 10.697 -1.197 1.00 0.00 C ATOM 908 CG LEU A 55 3.458 9.633 -1.593 1.00 0.00 C ATOM 909 CD1 LEU A 55 3.664 9.220 -3.036 1.00 0.00 C ATOM 910 CD2 LEU A 55 3.544 8.415 -0.682 1.00 0.00 C ATOM 0 H LEU A 55 3.041 10.967 0.771 1.00 0.00 H new ATOM 0 HA LEU A 55 5.463 9.602 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.033 11.680 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.325 10.642 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 55 2.464 10.067 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.927 8.464 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.547 10.089 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.667 8.810 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.801 7.678 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.540 7.978 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.352 8.717 0.348 1.00 0.00 H new ATOM 922 N GLY A 56 5.781 12.893 0.186 1.00 0.00 N ATOM 923 CA GLY A 56 6.739 13.972 0.349 1.00 0.00 C ATOM 924 C GLY A 56 6.401 15.177 -0.508 1.00 0.00 C ATOM 925 O GLY A 56 6.757 16.306 -0.171 1.00 0.00 O ATOM 0 H GLY A 56 4.857 13.186 -0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.771 14.271 1.397 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.735 13.613 0.090 1.00 0.00 H new ATOM 929 N ARG A 57 5.714 14.934 -1.620 1.00 0.00 N ATOM 930 CA ARG A 57 5.325 16.004 -2.534 1.00 0.00 C ATOM 931 C ARG A 57 3.806 16.125 -2.615 1.00 0.00 C ATOM 932 O ARG A 57 3.081 15.439 -1.894 1.00 0.00 O ATOM 933 CB ARG A 57 5.904 15.743 -3.928 1.00 0.00 C ATOM 934 CG ARG A 57 5.742 14.306 -4.395 1.00 0.00 C ATOM 935 CD ARG A 57 6.448 14.066 -5.720 1.00 0.00 C ATOM 936 NE ARG A 57 7.197 12.812 -5.721 1.00 0.00 N ATOM 937 CZ ARG A 57 8.253 12.577 -4.946 1.00 0.00 C ATOM 938 NH1 ARG A 57 8.688 13.509 -4.107 1.00 0.00 N ATOM 939 NH2 ARG A 57 8.874 11.408 -5.007 1.00 0.00 N ATOM 0 H ARG A 57 5.414 14.003 -1.911 1.00 0.00 H new ATOM 0 HA ARG A 57 5.725 16.943 -2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.418 16.406 -4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.964 15.998 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.144 13.630 -3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.682 14.074 -4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.713 14.050 -6.525 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.127 14.894 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 57 6.892 12.072 -6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.212 14.410 -4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.498 13.324 -3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.543 10.687 -5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.683 11.229 -4.413 1.00 0.00 H new ATOM 953 N ASP A 58 3.329 17.003 -3.492 1.00 0.00 N ATOM 954 CA ASP A 58 1.896 17.215 -3.662 1.00 0.00 C ATOM 955 C ASP A 58 1.379 16.495 -4.905 1.00 0.00 C ATOM 956 O ASP A 58 0.208 16.119 -4.973 1.00 0.00 O ATOM 957 CB ASP A 58 1.588 18.710 -3.761 1.00 0.00 C ATOM 958 CG ASP A 58 2.285 19.517 -2.684 1.00 0.00 C ATOM 959 OD1 ASP A 58 1.774 19.553 -1.544 1.00 0.00 O ATOM 960 OD2 ASP A 58 3.342 20.113 -2.977 1.00 0.00 O ATOM 0 H ASP A 58 3.915 17.579 -4.096 1.00 0.00 H new ATOM 0 HA ASP A 58 1.390 16.802 -2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.894 19.077 -4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.511 18.862 -3.685 1.00 0.00 H new ATOM 965 N THR A 59 2.256 16.308 -5.885 1.00 0.00 N ATOM 966 CA THR A 59 1.882 15.635 -7.123 1.00 0.00 C ATOM 967 C THR A 59 2.245 14.155 -7.071 1.00 0.00 C ATOM 968 O THR A 59 2.944 13.708 -6.161 1.00 0.00 O ATOM 969 CB THR A 59 2.568 16.299 -8.318 1.00 0.00 C ATOM 970 OG1 THR A 59 2.195 15.662 -9.527 1.00 0.00 O ATOM 971 CG2 THR A 59 4.078 16.272 -8.232 1.00 0.00 C ATOM 0 H THR A 59 3.229 16.612 -5.846 1.00 0.00 H new ATOM 0 HA THR A 59 0.802 15.721 -7.240 1.00 0.00 H new ATOM 0 HB THR A 59 2.238 17.338 -8.300 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.642 16.102 -10.280 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.501 16.759 -9.111 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.401 16.799 -7.334 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.422 15.238 -8.189 1.00 0.00 H new ATOM 979 N GLN A 60 1.769 13.399 -8.056 1.00 0.00 N ATOM 980 CA GLN A 60 2.043 11.967 -8.128 1.00 0.00 C ATOM 981 C GLN A 60 2.856 11.634 -9.373 1.00 0.00 C ATOM 982 O GLN A 60 2.315 11.533 -10.475 1.00 0.00 O ATOM 983 CB GLN A 60 0.735 11.176 -8.138 1.00 0.00 C ATOM 984 CG GLN A 60 -0.114 11.388 -6.897 1.00 0.00 C ATOM 985 CD GLN A 60 -1.599 11.408 -7.204 1.00 0.00 C ATOM 986 OE1 GLN A 60 -2.245 10.363 -7.273 1.00 0.00 O ATOM 987 NE2 GLN A 60 -2.147 12.603 -7.392 1.00 0.00 N ATOM 0 H GLN A 60 1.190 13.755 -8.817 1.00 0.00 H new ATOM 0 HA GLN A 60 2.623 11.689 -7.248 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.156 11.459 -9.017 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.963 10.115 -8.235 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.094 10.595 -6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.168 12.329 -6.424 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.573 13.444 -7.325 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.142 12.680 -7.603 1.00 0.00 H new ATOM 996 N ILE A 61 4.157 11.459 -9.187 1.00 0.00 N ATOM 997 CA ILE A 61 5.055 11.134 -10.289 1.00 0.00 C ATOM 998 C ILE A 61 4.982 9.653 -10.641 1.00 0.00 C ATOM 999 O ILE A 61 5.787 8.851 -10.168 1.00 0.00 O ATOM 1000 CB ILE A 61 6.515 11.496 -9.950 1.00 0.00 C ATOM 1001 CG1 ILE A 61 6.596 12.921 -9.401 1.00 0.00 C ATOM 1002 CG2 ILE A 61 7.396 11.344 -11.181 1.00 0.00 C ATOM 1003 CD1 ILE A 61 8.002 13.351 -9.045 1.00 0.00 C ATOM 0 H ILE A 61 4.617 11.537 -8.280 1.00 0.00 H new ATOM 0 HA ILE A 61 4.729 11.725 -11.145 1.00 0.00 H new ATOM 0 HB ILE A 61 6.876 10.812 -9.182 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.190 13.611 -10.141 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.966 12.997 -8.515 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.424 11.603 -10.927 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.357 10.312 -11.531 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.039 12.008 -11.968 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.984 14.371 -8.662 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.404 12.684 -8.282 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.632 13.308 -9.934 1.00 0.00 H new ATOM 1015 N GLY A 62 4.012 9.298 -11.476 1.00 0.00 N ATOM 1016 CA GLY A 62 3.852 7.913 -11.880 1.00 0.00 C ATOM 1017 C GLY A 62 3.656 6.981 -10.700 1.00 0.00 C ATOM 1018 O GLY A 62 3.970 5.793 -10.779 1.00 0.00 O ATOM 0 H GLY A 62 3.334 9.944 -11.880 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.996 7.830 -12.550 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.730 7.599 -12.444 1.00 0.00 H new ATOM 1022 N LEU A 63 3.142 7.522 -9.601 1.00 0.00 N ATOM 1023 CA LEU A 63 2.906 6.731 -8.399 1.00 0.00 C ATOM 1024 C LEU A 63 1.934 5.589 -8.679 1.00 0.00 C ATOM 1025 O LEU A 63 0.949 5.760 -9.399 1.00 0.00 O ATOM 1026 CB LEU A 63 2.364 7.621 -7.276 1.00 0.00 C ATOM 1027 CG LEU A 63 3.353 7.915 -6.146 1.00 0.00 C ATOM 1028 CD1 LEU A 63 3.609 6.663 -5.322 1.00 0.00 C ATOM 1029 CD2 LEU A 63 4.657 8.462 -6.708 1.00 0.00 C ATOM 0 H LEU A 63 2.881 8.504 -9.518 1.00 0.00 H new ATOM 0 HA LEU A 63 3.857 6.301 -8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.039 8.567 -7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.481 7.145 -6.850 1.00 0.00 H new ATOM 0 HG LEU A 63 2.916 8.671 -5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.315 6.891 -4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.671 6.314 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.025 5.885 -5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.349 8.665 -5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.098 7.729 -7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.459 9.384 -7.254 1.00 0.00 H new ATOM 1041 N THR A 64 2.220 4.423 -8.108 1.00 0.00 N ATOM 1042 CA THR A 64 1.373 3.252 -8.299 1.00 0.00 C ATOM 1043 C THR A 64 0.866 2.713 -6.964 1.00 0.00 C ATOM 1044 O THR A 64 1.436 2.994 -5.911 1.00 0.00 O ATOM 1045 CB THR A 64 2.142 2.159 -9.044 1.00 0.00 C ATOM 1046 OG1 THR A 64 3.426 1.972 -8.475 1.00 0.00 O ATOM 1047 CG2 THR A 64 2.331 2.456 -10.516 1.00 0.00 C ATOM 0 H THR A 64 3.031 4.265 -7.510 1.00 0.00 H new ATOM 0 HA THR A 64 0.511 3.555 -8.894 1.00 0.00 H new ATOM 0 HB THR A 64 1.532 1.261 -8.947 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.901 1.268 -8.964 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.884 1.641 -10.984 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.357 2.556 -10.995 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.889 3.385 -10.631 1.00 0.00 H new ATOM 1055 N MET A 65 -0.210 1.934 -7.019 1.00 0.00 N ATOM 1056 CA MET A 65 -0.795 1.351 -5.819 1.00 0.00 C ATOM 1057 C MET A 65 -0.733 -0.172 -5.875 1.00 0.00 C ATOM 1058 O MET A 65 -0.684 -0.755 -6.958 1.00 0.00 O ATOM 1059 CB MET A 65 -2.247 1.807 -5.659 1.00 0.00 C ATOM 1060 CG MET A 65 -2.397 3.308 -5.467 1.00 0.00 C ATOM 1061 SD MET A 65 -3.805 3.985 -6.368 1.00 0.00 S ATOM 1062 CE MET A 65 -3.184 3.944 -8.047 1.00 0.00 C ATOM 0 H MET A 65 -0.694 1.692 -7.884 1.00 0.00 H new ATOM 0 HA MET A 65 -0.219 1.693 -4.959 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.813 1.504 -6.540 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.688 1.294 -4.804 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.512 3.525 -4.405 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.485 3.806 -5.798 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.864 4.492 -8.700 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.197 4.406 -8.081 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.112 2.910 -8.383 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.726 -0.843 -4.709 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.780 -0.202 -3.391 1.00 0.00 C ATOM 1074 C PRO A 66 0.573 0.347 -2.946 1.00 0.00 C ATOM 1075 O PRO A 66 1.623 -0.137 -3.370 1.00 0.00 O ATOM 1076 CB PRO A 66 -1.212 -1.343 -2.453 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.490 -2.514 -3.338 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.675 -2.297 -4.577 1.00 0.00 C ATOM 0 HA PRO A 66 -1.453 0.656 -3.393 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.428 -1.575 -1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.098 -1.065 -1.882 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.214 -3.448 -2.848 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.552 -2.580 -3.576 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.346 -2.663 -4.466 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.102 -2.803 -5.443 1.00 0.00 H new ATOM 1086 N GLN A 67 0.538 1.343 -2.066 1.00 0.00 N ATOM 1087 CA GLN A 67 1.758 1.942 -1.541 1.00 0.00 C ATOM 1088 C GLN A 67 1.933 1.570 -0.074 1.00 0.00 C ATOM 1089 O GLN A 67 1.030 1.771 0.736 1.00 0.00 O ATOM 1090 CB GLN A 67 1.723 3.463 -1.697 1.00 0.00 C ATOM 1091 CG GLN A 67 1.779 3.929 -3.142 1.00 0.00 C ATOM 1092 CD GLN A 67 3.186 3.921 -3.708 1.00 0.00 C ATOM 1093 OE1 GLN A 67 4.033 4.809 -3.200 1.00 0.00 O flip ATOM 1094 NE2 GLN A 67 3.509 3.128 -4.592 1.00 0.00 N flip ATOM 0 H GLN A 67 -0.323 1.752 -1.702 1.00 0.00 H new ATOM 0 HA GLN A 67 2.604 1.557 -2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.813 3.846 -1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.562 3.895 -1.152 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.144 3.286 -3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.371 4.937 -3.210 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.826 2.462 -4.954 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.459 3.137 -4.963 1.00 0.00 H new ATOM 1103 N VAL A 68 3.086 1.009 0.265 1.00 0.00 N ATOM 1104 CA VAL A 68 3.343 0.601 1.638 1.00 0.00 C ATOM 1105 C VAL A 68 4.156 1.642 2.400 1.00 0.00 C ATOM 1106 O VAL A 68 4.827 2.483 1.803 1.00 0.00 O ATOM 1107 CB VAL A 68 4.074 -0.756 1.704 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.925 -1.372 3.086 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.553 -1.703 0.632 1.00 0.00 C ATOM 0 H VAL A 68 3.851 0.828 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 68 2.365 0.503 2.110 1.00 0.00 H new ATOM 0 HB VAL A 68 5.134 -0.585 1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.446 -2.329 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.353 -0.702 3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.868 -1.528 3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.083 -2.653 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.487 -1.871 0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.716 -1.264 -0.352 1.00 0.00 H new ATOM 1119 N PHE A 69 4.087 1.572 3.727 1.00 0.00 N ATOM 1120 CA PHE A 69 4.810 2.501 4.586 1.00 0.00 C ATOM 1121 C PHE A 69 5.330 1.789 5.826 1.00 0.00 C ATOM 1122 O PHE A 69 4.716 0.840 6.311 1.00 0.00 O ATOM 1123 CB PHE A 69 3.899 3.650 5.000 1.00 0.00 C ATOM 1124 CG PHE A 69 3.536 4.544 3.861 1.00 0.00 C ATOM 1125 CD1 PHE A 69 4.360 5.594 3.511 1.00 0.00 C ATOM 1126 CD2 PHE A 69 2.379 4.326 3.136 1.00 0.00 C ATOM 1127 CE1 PHE A 69 4.036 6.420 2.452 1.00 0.00 C ATOM 1128 CE2 PHE A 69 2.047 5.146 2.077 1.00 0.00 C ATOM 1129 CZ PHE A 69 2.875 6.195 1.733 1.00 0.00 C ATOM 0 H PHE A 69 3.535 0.878 4.231 1.00 0.00 H new ATOM 0 HA PHE A 69 5.657 2.897 4.026 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.989 3.244 5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.393 4.238 5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.267 5.772 4.070 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.729 3.506 3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.687 7.239 2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.140 4.967 1.518 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.618 6.839 0.905 1.00 0.00 H new ATOM 1139 N ALA A 70 6.470 2.245 6.329 1.00 0.00 N ATOM 1140 CA ALA A 70 7.078 1.639 7.511 1.00 0.00 C ATOM 1141 C ALA A 70 6.108 1.633 8.694 1.00 0.00 C ATOM 1142 O ALA A 70 5.372 2.597 8.902 1.00 0.00 O ATOM 1143 CB ALA A 70 8.358 2.374 7.880 1.00 0.00 C ATOM 0 H ALA A 70 6.992 3.030 5.940 1.00 0.00 H new ATOM 0 HA ALA A 70 7.320 0.604 7.272 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.801 1.912 8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.062 2.319 7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.129 3.418 8.093 1.00 0.00 H new ATOM 1149 N PRO A 71 6.106 0.544 9.494 1.00 0.00 N ATOM 1150 CA PRO A 71 5.234 0.418 10.669 1.00 0.00 C ATOM 1151 C PRO A 71 5.134 1.722 11.454 1.00 0.00 C ATOM 1152 O PRO A 71 4.108 2.020 12.066 1.00 0.00 O ATOM 1153 CB PRO A 71 5.937 -0.656 11.492 1.00 0.00 C ATOM 1154 CG PRO A 71 6.576 -1.537 10.475 1.00 0.00 C ATOM 1155 CD PRO A 71 6.968 -0.642 9.326 1.00 0.00 C ATOM 0 HA PRO A 71 4.206 0.172 10.405 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.677 -0.222 12.164 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.231 -1.209 12.111 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.449 -2.041 10.890 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.886 -2.314 10.145 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.025 -0.378 9.367 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.798 -1.127 8.365 1.00 0.00 H new ATOM 1163 N ASP A 72 6.210 2.497 11.419 1.00 0.00 N ATOM 1164 CA ASP A 72 6.263 3.776 12.109 1.00 0.00 C ATOM 1165 C ASP A 72 7.482 4.568 11.653 1.00 0.00 C ATOM 1166 O ASP A 72 8.093 5.296 12.434 1.00 0.00 O ATOM 1167 CB ASP A 72 6.311 3.566 13.624 1.00 0.00 C ATOM 1168 CG ASP A 72 7.457 2.669 14.048 1.00 0.00 C ATOM 1169 OD1 ASP A 72 8.618 3.126 13.996 1.00 0.00 O ATOM 1170 OD2 ASP A 72 7.194 1.510 14.431 1.00 0.00 O ATOM 0 H ASP A 72 7.064 2.258 10.915 1.00 0.00 H new ATOM 0 HA ASP A 72 5.362 4.339 11.864 1.00 0.00 H new ATOM 0 HB2 ASP A 72 6.408 4.532 14.119 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.369 3.130 13.957 1.00 0.00 H new ATOM 1175 N GLY A 73 7.835 4.409 10.379 1.00 0.00 N ATOM 1176 CA GLY A 73 8.987 5.107 9.830 1.00 0.00 C ATOM 1177 C GLY A 73 8.647 5.922 8.599 1.00 0.00 C ATOM 1178 O GLY A 73 7.982 6.954 8.693 1.00 0.00 O ATOM 0 H GLY A 73 7.344 3.809 9.717 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.405 5.765 10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.760 4.381 9.578 1.00 0.00 H new ATOM 1182 N SER A 74 9.114 5.461 7.442 1.00 0.00 N ATOM 1183 CA SER A 74 8.865 6.156 6.182 1.00 0.00 C ATOM 1184 C SER A 74 8.355 5.195 5.114 1.00 0.00 C ATOM 1185 O SER A 74 8.185 4.002 5.363 1.00 0.00 O ATOM 1186 CB SER A 74 10.143 6.842 5.694 1.00 0.00 C ATOM 1187 OG SER A 74 10.994 7.166 6.780 1.00 0.00 O ATOM 0 H SER A 74 9.667 4.609 7.351 1.00 0.00 H new ATOM 0 HA SER A 74 8.097 6.909 6.361 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.668 6.187 4.999 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.886 7.749 5.146 1.00 0.00 H new ATOM 0 HG SER A 74 11.804 7.602 6.442 1.00 0.00 H new ATOM 1193 N HIS A 75 8.107 5.734 3.927 1.00 0.00 N ATOM 1194 CA HIS A 75 7.609 4.948 2.806 1.00 0.00 C ATOM 1195 C HIS A 75 8.632 3.900 2.371 1.00 0.00 C ATOM 1196 O HIS A 75 9.819 4.197 2.237 1.00 0.00 O ATOM 1197 CB HIS A 75 7.278 5.878 1.638 1.00 0.00 C ATOM 1198 CG HIS A 75 6.726 5.177 0.436 1.00 0.00 C ATOM 1199 ND1 HIS A 75 5.515 4.597 0.242 1.00 0.00 N flip ATOM 1200 CD2 HIS A 75 7.419 5.016 -0.744 1.00 0.00 C flip ATOM 1201 CE1 HIS A 75 5.456 4.083 -1.051 1.00 0.00 C flip ATOM 1202 NE2 HIS A 75 6.623 4.361 -1.600 1.00 0.00 N flip ATOM 0 H HIS A 75 8.244 6.722 3.715 1.00 0.00 H new ATOM 0 HA HIS A 75 6.707 4.424 3.123 1.00 0.00 H new ATOM 0 HB2 HIS A 75 6.557 6.623 1.974 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.181 6.416 1.349 1.00 0.00 H new ATOM 0 HD1 HIS A 75 4.767 4.546 0.933 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.424 5.357 -0.943 1.00 0.00 H new ATOM 0 HE1 HIS A 75 4.627 3.564 -1.509 1.00 0.00 H new ATOM 1210 N ILE A 76 8.163 2.675 2.152 1.00 0.00 N ATOM 1211 CA ILE A 76 9.036 1.582 1.729 1.00 0.00 C ATOM 1212 C ILE A 76 8.852 1.291 0.245 1.00 0.00 C ATOM 1213 O ILE A 76 9.822 1.056 -0.477 1.00 0.00 O ATOM 1214 CB ILE A 76 8.766 0.298 2.545 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.998 0.562 4.031 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.642 -0.855 2.066 1.00 0.00 C ATOM 1217 CD1 ILE A 76 8.014 -0.154 4.923 1.00 0.00 C ATOM 0 H ILE A 76 7.183 2.413 2.260 1.00 0.00 H new ATOM 0 HA ILE A 76 10.064 1.897 1.909 1.00 0.00 H new ATOM 0 HB ILE A 76 7.725 0.012 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 76 10.009 0.253 4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.934 1.634 4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.429 -1.744 2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.432 -1.060 1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.692 -0.586 2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.234 0.076 5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.002 0.174 4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.094 -1.229 4.764 1.00 0.00 H new ATOM 1229 N GLY A 77 7.603 1.312 -0.207 1.00 0.00 N ATOM 1230 CA GLY A 77 7.324 1.056 -1.607 1.00 0.00 C ATOM 1231 C GLY A 77 6.129 0.152 -1.816 1.00 0.00 C ATOM 1232 O GLY A 77 5.211 0.116 -0.997 1.00 0.00 O ATOM 0 H GLY A 77 6.782 1.501 0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.149 2.004 -2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.201 0.603 -2.070 1.00 0.00 H new ATOM 1236 N GLY A 78 6.140 -0.569 -2.929 1.00 0.00 N ATOM 1237 CA GLY A 78 5.047 -1.470 -3.247 1.00 0.00 C ATOM 1238 C GLY A 78 5.378 -2.917 -2.935 1.00 0.00 C ATOM 1239 O GLY A 78 5.851 -3.229 -1.844 1.00 0.00 O ATOM 0 H GLY A 78 6.889 -0.546 -3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.161 -1.174 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.800 -1.377 -4.304 1.00 0.00 H new ATOM 1243 N PHE A 79 5.127 -3.803 -3.894 1.00 0.00 N ATOM 1244 CA PHE A 79 5.400 -5.224 -3.709 1.00 0.00 C ATOM 1245 C PHE A 79 6.895 -5.517 -3.823 1.00 0.00 C ATOM 1246 O PHE A 79 7.550 -5.836 -2.831 1.00 0.00 O ATOM 1247 CB PHE A 79 4.625 -6.053 -4.738 1.00 0.00 C ATOM 1248 CG PHE A 79 4.842 -7.533 -4.604 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.635 -8.170 -3.391 1.00 0.00 C ATOM 1250 CD2 PHE A 79 5.256 -8.287 -5.691 1.00 0.00 C ATOM 1251 CE1 PHE A 79 4.837 -9.531 -3.264 1.00 0.00 C ATOM 1252 CE2 PHE A 79 5.461 -9.648 -5.570 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.251 -10.271 -4.354 1.00 0.00 C ATOM 0 H PHE A 79 4.736 -3.563 -4.805 1.00 0.00 H new ATOM 0 HA PHE A 79 5.072 -5.501 -2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.561 -5.840 -4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.919 -5.740 -5.740 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.312 -7.596 -2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.420 -7.805 -6.643 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.671 -10.016 -2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.785 -10.224 -6.424 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.410 -11.335 -4.257 1.00 0.00 H new ATOM 1263 N ASP A 80 7.428 -5.405 -5.037 1.00 0.00 N ATOM 1264 CA ASP A 80 8.845 -5.661 -5.278 1.00 0.00 C ATOM 1265 C ASP A 80 9.717 -4.812 -4.358 1.00 0.00 C ATOM 1266 O ASP A 80 10.675 -5.304 -3.763 1.00 0.00 O ATOM 1267 CB ASP A 80 9.197 -5.375 -6.739 1.00 0.00 C ATOM 1268 CG ASP A 80 10.594 -5.841 -7.098 1.00 0.00 C ATOM 1269 OD1 ASP A 80 11.496 -5.733 -6.240 1.00 0.00 O ATOM 1270 OD2 ASP A 80 10.788 -6.314 -8.238 1.00 0.00 O ATOM 0 H ASP A 80 6.900 -5.139 -5.868 1.00 0.00 H new ATOM 0 HA ASP A 80 9.038 -6.712 -5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.474 -5.869 -7.388 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.114 -4.305 -6.927 1.00 0.00 H new ATOM 1275 N GLN A 81 9.375 -3.532 -4.248 1.00 0.00 N ATOM 1276 CA GLN A 81 10.124 -2.610 -3.400 1.00 0.00 C ATOM 1277 C GLN A 81 10.179 -3.125 -1.964 1.00 0.00 C ATOM 1278 O GLN A 81 11.234 -3.125 -1.331 1.00 0.00 O ATOM 1279 CB GLN A 81 9.480 -1.223 -3.433 1.00 0.00 C ATOM 1280 CG GLN A 81 10.429 -0.118 -3.865 1.00 0.00 C ATOM 1281 CD GLN A 81 9.747 0.934 -4.717 1.00 0.00 C ATOM 1282 OE1 GLN A 81 8.532 1.116 -4.645 1.00 0.00 O ATOM 1283 NE2 GLN A 81 10.529 1.634 -5.531 1.00 0.00 N ATOM 0 H GLN A 81 8.585 -3.110 -4.735 1.00 0.00 H new ATOM 0 HA GLN A 81 11.142 -2.539 -3.783 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.628 -1.244 -4.112 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.092 -0.989 -2.442 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.856 0.356 -2.981 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.257 -0.553 -4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.532 1.450 -5.558 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.127 2.356 -6.129 1.00 0.00 H new ATOM 1292 N LEU A 82 9.031 -3.565 -1.462 1.00 0.00 N ATOM 1293 CA LEU A 82 8.935 -4.087 -0.107 1.00 0.00 C ATOM 1294 C LEU A 82 9.756 -5.360 0.060 1.00 0.00 C ATOM 1295 O LEU A 82 10.443 -5.535 1.064 1.00 0.00 O ATOM 1296 CB LEU A 82 7.490 -4.338 0.258 1.00 0.00 C ATOM 1297 CG LEU A 82 7.294 -4.704 1.719 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.561 -3.604 2.467 1.00 0.00 C ATOM 1299 CD2 LEU A 82 6.564 -6.014 1.816 1.00 0.00 C ATOM 0 H LEU A 82 8.151 -3.570 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 82 9.345 -3.337 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.905 -3.446 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.099 -5.142 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 82 8.271 -4.813 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.435 -3.895 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.138 -2.681 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.582 -3.446 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.424 -6.276 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.592 -5.926 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.146 -6.792 1.323 1.00 0.00 H new ATOM 1311 N ARG A 83 9.705 -6.236 -0.936 1.00 0.00 N ATOM 1312 CA ARG A 83 10.471 -7.481 -0.891 1.00 0.00 C ATOM 1313 C ARG A 83 11.935 -7.176 -0.608 1.00 0.00 C ATOM 1314 O ARG A 83 12.619 -7.935 0.078 1.00 0.00 O ATOM 1315 CB ARG A 83 10.336 -8.238 -2.213 1.00 0.00 C ATOM 1316 CG ARG A 83 10.564 -9.736 -2.088 1.00 0.00 C ATOM 1317 CD ARG A 83 10.067 -10.478 -3.318 1.00 0.00 C ATOM 1318 NE ARG A 83 9.376 -11.716 -2.970 1.00 0.00 N ATOM 1319 CZ ARG A 83 8.539 -12.352 -3.787 1.00 0.00 C ATOM 1320 NH1 ARG A 83 8.291 -11.873 -5.000 1.00 0.00 N ATOM 1321 NH2 ARG A 83 7.949 -13.472 -3.392 1.00 0.00 N ATOM 0 H ARG A 83 9.146 -6.111 -1.780 1.00 0.00 H new ATOM 0 HA ARG A 83 10.077 -8.108 -0.092 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.340 -8.064 -2.620 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.049 -7.830 -2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.627 -9.933 -1.947 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.050 -10.111 -1.203 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.393 -9.833 -3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.911 -10.705 -3.970 1.00 0.00 H new ATOM 0 HE ARG A 83 9.544 -12.117 -2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.743 -11.013 -5.311 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.649 -12.365 -5.621 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.136 -13.847 -2.462 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.308 -13.959 -4.018 1.00 0.00 H new ATOM 1335 N GLU A 84 12.403 -6.040 -1.119 1.00 0.00 N ATOM 1336 CA GLU A 84 13.776 -5.616 -0.895 1.00 0.00 C ATOM 1337 C GLU A 84 13.945 -5.226 0.566 1.00 0.00 C ATOM 1338 O GLU A 84 14.994 -5.451 1.168 1.00 0.00 O ATOM 1339 CB GLU A 84 14.137 -4.439 -1.802 1.00 0.00 C ATOM 1340 CG GLU A 84 13.675 -4.612 -3.240 1.00 0.00 C ATOM 1341 CD GLU A 84 14.829 -4.799 -4.206 1.00 0.00 C ATOM 1342 OE1 GLU A 84 15.351 -5.929 -4.297 1.00 0.00 O ATOM 1343 OE2 GLU A 84 15.211 -3.813 -4.871 1.00 0.00 O ATOM 0 H GLU A 84 11.850 -5.400 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 84 14.447 -6.441 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.696 -3.529 -1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.218 -4.301 -1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.010 -5.474 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.094 -3.739 -3.538 1.00 0.00 H new ATOM 1350 N TYR A 85 12.882 -4.662 1.135 1.00 0.00 N ATOM 1351 CA TYR A 85 12.883 -4.264 2.533 1.00 0.00 C ATOM 1352 C TYR A 85 13.030 -5.499 3.413 1.00 0.00 C ATOM 1353 O TYR A 85 13.647 -5.456 4.477 1.00 0.00 O ATOM 1354 CB TYR A 85 11.578 -3.531 2.859 1.00 0.00 C ATOM 1355 CG TYR A 85 11.546 -2.904 4.232 1.00 0.00 C ATOM 1356 CD1 TYR A 85 11.091 -3.619 5.331 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.959 -1.592 4.426 1.00 0.00 C ATOM 1358 CE1 TYR A 85 11.051 -3.047 6.588 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.921 -1.012 5.679 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.467 -1.743 6.756 1.00 0.00 C ATOM 1361 OH TYR A 85 11.428 -1.168 8.007 1.00 0.00 O ATOM 0 H TYR A 85 12.008 -4.472 0.644 1.00 0.00 H new ATOM 0 HA TYR A 85 13.721 -3.593 2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.415 -2.753 2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.749 -4.233 2.773 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.763 -4.640 5.201 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.315 -1.017 3.584 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.696 -3.617 7.434 1.00 0.00 H new ATOM 0 HE2 TYR A 85 12.245 0.009 5.814 1.00 0.00 H new ATOM 0 HH TYR A 85 11.756 -0.246 7.954 1.00 0.00 H new ATOM 1371 N PHE A 86 12.461 -6.607 2.940 1.00 0.00 N ATOM 1372 CA PHE A 86 12.509 -7.876 3.649 1.00 0.00 C ATOM 1373 C PHE A 86 13.732 -8.696 3.245 1.00 0.00 C ATOM 1374 O PHE A 86 14.659 -8.872 4.035 1.00 0.00 O ATOM 1375 CB PHE A 86 11.223 -8.655 3.367 1.00 0.00 C ATOM 1376 CG PHE A 86 10.080 -8.214 4.232 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.176 -8.281 5.612 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.921 -7.712 3.667 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.133 -7.858 6.413 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.876 -7.286 4.464 1.00 0.00 C ATOM 1381 CZ PHE A 86 7.982 -7.360 5.837 1.00 0.00 C ATOM 0 H PHE A 86 11.955 -6.646 2.055 1.00 0.00 H new ATOM 0 HA PHE A 86 12.592 -7.678 4.718 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.950 -8.531 2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.404 -9.718 3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.076 -8.668 6.067 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.832 -7.653 2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.218 -7.917 7.488 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.976 -6.895 4.012 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.165 -7.029 6.461 1.00 0.00 H new ATOM 1391 N LYS A 87 13.729 -9.194 2.013 1.00 0.00 N ATOM 1392 CA LYS A 87 14.842 -9.992 1.508 1.00 0.00 C ATOM 1393 C LYS A 87 16.140 -9.193 1.530 1.00 0.00 C ATOM 1394 O LYS A 87 16.140 -8.080 2.098 1.00 0.00 O ATOM 1395 CB LYS A 87 14.549 -10.474 0.086 1.00 0.00 C ATOM 1396 CG LYS A 87 13.739 -11.759 0.032 1.00 0.00 C ATOM 1397 CD LYS A 87 14.623 -12.967 -0.235 1.00 0.00 C ATOM 1398 CE LYS A 87 15.641 -13.169 0.876 1.00 0.00 C ATOM 1399 NZ LYS A 87 16.584 -14.279 0.569 1.00 0.00 N ATOM 1400 OXT LYS A 87 17.147 -9.685 0.979 1.00 0.00 O ATOM 0 H LYS A 87 12.969 -9.060 1.346 1.00 0.00 H new ATOM 0 HA LYS A 87 14.959 -10.858 2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.010 -9.692 -0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.492 -10.627 -0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.210 -11.896 0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.983 -11.681 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.003 -13.859 -0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.141 -12.837 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.202 -12.247 1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.121 -13.382 1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.262 -14.385 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 16.051 -15.164 0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.099 -14.065 -0.309 1.00 0.00 H new