USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 674 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 10 CYS SG : rot 180:sc= 0.5 USER MOD Set 1.2: A 81 THR OG1 : rot -58:sc= 0.264 USER MOD Single : A 1 GLY N :NH3+ 148:sc= 0.00763 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 4 MET CE :methyl -154:sc= -2.33 (180deg=-4.56!) USER MOD Single : A 8 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.056) USER MOD Single : A 14 GLN : amide:sc= 0.325 X(o=0.32,f=-0.018) USER MOD Single : A 15 LYS NZ :NH3+ 149:sc= 0.00793 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.13 X(o=-1.1,f=-0.81) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0628 X(o=-0.063,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.138 USER MOD Single : A 36 LYS NZ :NH3+ -140:sc= -0.053 (180deg=-1.53!) USER MOD Single : A 42 MET CE :methyl -161:sc= 0 (180deg=-0.4) USER MOD Single : A 47 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.059) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 54 LYS NZ :NH3+ -158:sc= -0.024 (180deg=-0.201) USER MOD Single : A 56 ASN : amide:sc= -2.11! C(o=-2.1!,f=-12!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0.00214 X(o=0.0021,f=-0.48) USER MOD Single : A 63 SER OG : rot -141:sc= -0.0109 USER MOD Single : A 64 ASN : amide:sc= -0.315 X(o=-0.32,f=-0.24) USER MOD Single : A 65 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-4.5!) USER MOD Single : A 70 LYS NZ :NH3+ -133:sc= -0.221 (180deg=-0.972) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -35:sc= 0.621 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.38 USER MOD Single : A 83 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.4) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.128 11.305 -1.277 1.00 0.00 N ATOM 2 CA GLY A 1 20.306 11.269 -2.517 1.00 0.00 C ATOM 3 C GLY A 1 19.436 12.501 -2.672 1.00 0.00 C ATOM 4 O GLY A 1 18.945 13.051 -1.686 1.00 0.00 O ATOM 0 H1 GLY A 1 21.264 10.337 -0.922 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.054 11.730 -1.486 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.642 11.873 -0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.963 11.181 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.674 10.381 -2.505 1.00 0.00 H new ATOM 10 N SER A 2 19.244 12.935 -3.913 1.00 0.00 N ATOM 11 CA SER A 2 18.427 14.109 -4.195 1.00 0.00 C ATOM 12 C SER A 2 17.518 13.865 -5.395 1.00 0.00 C ATOM 13 O SER A 2 17.201 14.790 -6.145 1.00 0.00 O ATOM 14 CB SER A 2 19.318 15.326 -4.453 1.00 0.00 C ATOM 15 OG SER A 2 18.724 16.509 -3.946 1.00 0.00 O ATOM 0 H SER A 2 19.643 12.491 -4.740 1.00 0.00 H new ATOM 0 HA SER A 2 17.802 14.303 -3.324 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.291 15.174 -3.985 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.492 15.433 -5.524 1.00 0.00 H new ATOM 0 HG SER A 2 19.313 17.272 -4.122 1.00 0.00 H new ATOM 21 N HIS A 3 17.103 12.616 -5.574 1.00 0.00 N ATOM 22 CA HIS A 3 16.232 12.250 -6.683 1.00 0.00 C ATOM 23 C HIS A 3 15.330 11.080 -6.304 1.00 0.00 C ATOM 24 O HIS A 3 14.968 10.262 -7.150 1.00 0.00 O ATOM 25 CB HIS A 3 17.065 11.891 -7.916 1.00 0.00 C ATOM 26 CG HIS A 3 16.689 12.668 -9.140 1.00 0.00 C ATOM 27 ND1 HIS A 3 15.405 12.701 -9.645 1.00 0.00 N ATOM 28 CD2 HIS A 3 17.434 13.445 -9.961 1.00 0.00 C ATOM 29 CE1 HIS A 3 15.379 13.463 -10.724 1.00 0.00 C ATOM 30 NE2 HIS A 3 16.596 13.927 -10.936 1.00 0.00 N ATOM 0 H HIS A 3 17.357 11.839 -4.964 1.00 0.00 H new ATOM 0 HA HIS A 3 15.602 13.108 -6.917 1.00 0.00 H new ATOM 0 HB2 HIS A 3 18.118 12.064 -7.695 1.00 0.00 H new ATOM 0 HB3 HIS A 3 16.953 10.827 -8.123 1.00 0.00 H new ATOM 0 HD2 HIS A 3 18.491 13.648 -9.867 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.509 13.671 -11.330 1.00 0.00 H new ATOM 0 HE2 HIS A 3 16.870 14.544 -11.701 1.00 0.00 H new ATOM 39 N MET A 4 14.971 11.008 -5.026 1.00 0.00 N ATOM 40 CA MET A 4 14.110 9.939 -4.533 1.00 0.00 C ATOM 41 C MET A 4 12.926 10.507 -3.757 1.00 0.00 C ATOM 42 O MET A 4 12.968 11.643 -3.284 1.00 0.00 O ATOM 43 CB MET A 4 14.908 8.985 -3.641 1.00 0.00 C ATOM 44 CG MET A 4 15.629 7.891 -4.414 1.00 0.00 C ATOM 45 SD MET A 4 17.297 7.589 -3.798 1.00 0.00 S ATOM 46 CE MET A 4 18.016 9.222 -3.949 1.00 0.00 C ATOM 0 H MET A 4 15.263 11.677 -4.313 1.00 0.00 H new ATOM 0 HA MET A 4 13.727 9.389 -5.393 1.00 0.00 H new ATOM 0 HB2 MET A 4 15.639 9.559 -3.072 1.00 0.00 H new ATOM 0 HB3 MET A 4 14.233 8.525 -2.920 1.00 0.00 H new ATOM 0 HG2 MET A 4 15.051 6.969 -4.355 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.679 8.168 -5.467 1.00 0.00 H new ATOM 0 HE1 MET A 4 19.097 9.135 -4.061 1.00 0.00 H new ATOM 0 HE2 MET A 4 17.600 9.723 -4.823 1.00 0.00 H new ATOM 0 HE3 MET A 4 17.790 9.803 -3.055 1.00 0.00 H new ATOM 56 N GLY A 5 11.871 9.710 -3.632 1.00 0.00 N ATOM 57 CA GLY A 5 10.689 10.152 -2.913 1.00 0.00 C ATOM 58 C GLY A 5 9.620 10.703 -3.835 1.00 0.00 C ATOM 59 O GLY A 5 8.437 10.705 -3.494 1.00 0.00 O ATOM 0 H GLY A 5 11.812 8.766 -4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.279 9.316 -2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.972 10.918 -2.192 1.00 0.00 H new ATOM 63 N LEU A 6 10.035 11.178 -5.005 1.00 0.00 N ATOM 64 CA LEU A 6 9.102 11.737 -5.979 1.00 0.00 C ATOM 65 C LEU A 6 8.735 10.702 -7.039 1.00 0.00 C ATOM 66 O LEU A 6 8.444 11.049 -8.183 1.00 0.00 O ATOM 67 CB LEU A 6 9.708 12.976 -6.641 1.00 0.00 C ATOM 68 CG LEU A 6 8.775 14.186 -6.721 1.00 0.00 C ATOM 69 CD1 LEU A 6 9.550 15.476 -6.493 1.00 0.00 C ATOM 70 CD2 LEU A 6 8.065 14.223 -8.067 1.00 0.00 C ATOM 0 H LEU A 6 11.011 11.187 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 6 8.192 12.025 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.604 13.262 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.025 12.712 -7.650 1.00 0.00 H new ATOM 0 HG LEU A 6 8.024 14.093 -5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.869 16.325 -6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.014 15.452 -5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.323 15.576 -7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.405 15.090 -8.107 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.803 14.292 -8.866 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.477 13.314 -8.193 1.00 0.00 H new ATOM 82 N VAL A 7 8.750 9.430 -6.652 1.00 0.00 N ATOM 83 CA VAL A 7 8.419 8.347 -7.570 1.00 0.00 C ATOM 84 C VAL A 7 7.264 7.507 -7.033 1.00 0.00 C ATOM 85 O VAL A 7 7.387 6.855 -5.996 1.00 0.00 O ATOM 86 CB VAL A 7 9.630 7.431 -7.821 1.00 0.00 C ATOM 87 CG1 VAL A 7 10.632 8.110 -8.742 1.00 0.00 C ATOM 88 CG2 VAL A 7 10.284 7.037 -6.502 1.00 0.00 C ATOM 0 H VAL A 7 8.988 9.125 -5.708 1.00 0.00 H new ATOM 0 HA VAL A 7 8.124 8.810 -8.511 1.00 0.00 H new ATOM 0 HB VAL A 7 9.281 6.523 -8.312 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.481 7.447 -8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.155 8.334 -9.696 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.979 9.036 -8.283 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.138 6.389 -6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.620 7.933 -5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.562 6.506 -5.882 1.00 0.00 H new ATOM 98 N GLN A 8 6.142 7.528 -7.744 1.00 0.00 N ATOM 99 CA GLN A 8 4.965 6.769 -7.338 1.00 0.00 C ATOM 100 C GLN A 8 4.809 5.511 -8.185 1.00 0.00 C ATOM 101 O GLN A 8 4.854 5.568 -9.415 1.00 0.00 O ATOM 102 CB GLN A 8 3.710 7.635 -7.453 1.00 0.00 C ATOM 103 CG GLN A 8 3.881 9.033 -6.879 1.00 0.00 C ATOM 104 CD GLN A 8 2.814 9.995 -7.363 1.00 0.00 C ATOM 105 OE1 GLN A 8 2.628 10.180 -8.566 1.00 0.00 O ATOM 106 NE2 GLN A 8 2.107 10.614 -6.427 1.00 0.00 N ATOM 0 H GLN A 8 6.023 8.063 -8.605 1.00 0.00 H new ATOM 0 HA GLN A 8 5.098 6.470 -6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.428 7.714 -8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.887 7.138 -6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.852 8.981 -5.791 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.863 9.417 -7.154 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.295 10.431 -5.441 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.376 11.273 -6.693 1.00 0.00 H new ATOM 115 N ARG A 9 4.625 4.376 -7.520 1.00 0.00 N ATOM 116 CA ARG A 9 4.461 3.102 -8.211 1.00 0.00 C ATOM 117 C ARG A 9 3.205 2.381 -7.733 1.00 0.00 C ATOM 118 O ARG A 9 2.909 2.354 -6.538 1.00 0.00 O ATOM 119 CB ARG A 9 5.688 2.215 -7.988 1.00 0.00 C ATOM 120 CG ARG A 9 5.610 0.877 -8.705 1.00 0.00 C ATOM 121 CD ARG A 9 6.984 0.246 -8.858 1.00 0.00 C ATOM 122 NE ARG A 9 7.334 -0.588 -7.710 1.00 0.00 N ATOM 123 CZ ARG A 9 8.286 -1.519 -7.733 1.00 0.00 C ATOM 124 NH1 ARG A 9 8.984 -1.738 -8.841 1.00 0.00 N ATOM 125 NH2 ARG A 9 8.541 -2.232 -6.646 1.00 0.00 N ATOM 0 H ARG A 9 4.586 4.312 -6.503 1.00 0.00 H new ATOM 0 HA ARG A 9 4.357 3.306 -9.277 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.577 2.747 -8.326 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.809 2.039 -6.919 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.959 0.203 -8.149 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.161 1.016 -9.688 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.007 -0.358 -9.765 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.732 1.030 -8.978 1.00 0.00 H new ATOM 0 HE ARG A 9 6.819 -0.449 -6.841 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.792 -1.192 -9.681 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.712 -2.452 -8.852 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.008 -2.068 -5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.270 -2.945 -6.663 1.00 0.00 H new ATOM 139 N CYS A 10 2.468 1.799 -8.674 1.00 0.00 N ATOM 140 CA CYS A 10 1.243 1.078 -8.347 1.00 0.00 C ATOM 141 C CYS A 10 1.556 -0.334 -7.861 1.00 0.00 C ATOM 142 O CYS A 10 2.480 -0.980 -8.353 1.00 0.00 O ATOM 143 CB CYS A 10 0.324 1.016 -9.569 1.00 0.00 C ATOM 144 SG CYS A 10 -0.850 2.388 -9.678 1.00 0.00 S ATOM 0 H CYS A 10 2.697 1.813 -9.668 1.00 0.00 H new ATOM 0 HA CYS A 10 0.737 1.615 -7.545 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.936 1.003 -10.471 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.231 0.078 -9.546 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.581 2.250 -10.744 1.00 0.00 H new ATOM 150 N VAL A 11 0.779 -0.805 -6.891 1.00 0.00 N ATOM 151 CA VAL A 11 0.973 -2.141 -6.339 1.00 0.00 C ATOM 152 C VAL A 11 -0.352 -2.887 -6.227 1.00 0.00 C ATOM 153 O VAL A 11 -1.307 -2.389 -5.632 1.00 0.00 O ATOM 154 CB VAL A 11 1.634 -2.082 -4.948 1.00 0.00 C ATOM 155 CG1 VAL A 11 3.055 -1.551 -5.054 1.00 0.00 C ATOM 156 CG2 VAL A 11 0.806 -1.228 -3.999 1.00 0.00 C ATOM 0 H VAL A 11 0.010 -0.282 -6.471 1.00 0.00 H new ATOM 0 HA VAL A 11 1.631 -2.675 -7.025 1.00 0.00 H new ATOM 0 HB VAL A 11 1.679 -3.093 -4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.505 -1.517 -4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.642 -2.208 -5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.038 -0.548 -5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.288 -1.198 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.727 -0.216 -4.396 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.191 -1.658 -3.899 1.00 0.00 H new ATOM 166 N ILE A 12 -0.402 -4.084 -6.803 1.00 0.00 N ATOM 167 CA ILE A 12 -1.610 -4.899 -6.769 1.00 0.00 C ATOM 168 C ILE A 12 -1.432 -6.104 -5.852 1.00 0.00 C ATOM 169 O ILE A 12 -0.724 -7.053 -6.186 1.00 0.00 O ATOM 170 CB ILE A 12 -1.996 -5.393 -8.177 1.00 0.00 C ATOM 171 CG1 ILE A 12 -2.013 -4.226 -9.168 1.00 0.00 C ATOM 172 CG2 ILE A 12 -3.349 -6.087 -8.143 1.00 0.00 C ATOM 173 CD1 ILE A 12 -1.301 -4.527 -10.468 1.00 0.00 C ATOM 0 H ILE A 12 0.381 -4.511 -7.299 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.409 -4.265 -6.384 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.248 -6.113 -8.509 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.047 -3.958 -9.383 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.549 -3.357 -8.702 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.607 -6.430 -9.145 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.303 -6.941 -7.468 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.108 -5.388 -7.792 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.353 -3.656 -11.121 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.257 -4.766 -10.264 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.779 -5.376 -10.957 1.00 0.00 H new ATOM 185 N ILE A 13 -2.081 -6.060 -4.693 1.00 0.00 N ATOM 186 CA ILE A 13 -1.996 -7.149 -3.728 1.00 0.00 C ATOM 187 C ILE A 13 -3.146 -8.132 -3.907 1.00 0.00 C ATOM 188 O ILE A 13 -4.289 -7.733 -4.134 1.00 0.00 O ATOM 189 CB ILE A 13 -2.008 -6.619 -2.282 1.00 0.00 C ATOM 190 CG1 ILE A 13 -0.995 -5.485 -2.120 1.00 0.00 C ATOM 191 CG2 ILE A 13 -1.712 -7.746 -1.303 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.557 -4.121 -2.456 1.00 0.00 C ATOM 0 H ILE A 13 -2.671 -5.282 -4.400 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.052 -7.662 -3.911 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.001 -6.225 -2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.632 -5.477 -1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.135 -5.683 -2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.724 -7.356 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.470 -8.523 -1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.730 -8.167 -1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.784 -3.365 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.894 -4.112 -3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.399 -3.902 -1.799 1.00 0.00 H new ATOM 204 N GLN A 14 -2.838 -9.420 -3.804 1.00 0.00 N ATOM 205 CA GLN A 14 -3.848 -10.463 -3.954 1.00 0.00 C ATOM 206 C GLN A 14 -4.271 -11.012 -2.596 1.00 0.00 C ATOM 207 O GLN A 14 -3.437 -11.461 -1.810 1.00 0.00 O ATOM 208 CB GLN A 14 -3.313 -11.597 -4.832 1.00 0.00 C ATOM 209 CG GLN A 14 -2.727 -11.120 -6.151 1.00 0.00 C ATOM 210 CD GLN A 14 -1.210 -11.100 -6.141 1.00 0.00 C ATOM 211 OE1 GLN A 14 -0.565 -12.142 -6.020 1.00 0.00 O ATOM 212 NE2 GLN A 14 -0.634 -9.910 -6.266 1.00 0.00 N ATOM 0 H GLN A 14 -1.897 -9.768 -3.617 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.721 -10.021 -4.434 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.548 -12.143 -4.280 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.121 -12.300 -5.036 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.073 -11.770 -6.955 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.099 -10.119 -6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.209 -9.073 -6.364 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.383 -9.833 -6.264 1.00 0.00 H new ATOM 221 N LYS A 15 -5.573 -10.974 -2.327 1.00 0.00 N ATOM 222 CA LYS A 15 -6.107 -11.467 -1.065 1.00 0.00 C ATOM 223 C LYS A 15 -6.039 -12.989 -1.002 1.00 0.00 C ATOM 224 O LYS A 15 -6.409 -13.677 -1.955 1.00 0.00 O ATOM 225 CB LYS A 15 -7.554 -11.003 -0.884 1.00 0.00 C ATOM 226 CG LYS A 15 -8.063 -11.137 0.542 1.00 0.00 C ATOM 227 CD LYS A 15 -9.582 -11.172 0.593 1.00 0.00 C ATOM 228 CE LYS A 15 -10.123 -10.294 1.709 1.00 0.00 C ATOM 229 NZ LYS A 15 -11.360 -9.573 1.299 1.00 0.00 N ATOM 0 H LYS A 15 -6.277 -10.606 -2.968 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.497 -11.060 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.634 -9.961 -1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.198 -11.582 -1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.662 -12.047 0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.697 -10.302 1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.987 -10.838 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.918 -12.198 0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.334 -10.908 2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.362 -9.571 2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.970 -9.431 2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.105 -8.650 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.869 -10.135 0.587 1.00 0.00 H new ATOM 243 N ASP A 16 -5.563 -13.510 0.124 1.00 0.00 N ATOM 244 CA ASP A 16 -5.446 -14.951 0.311 1.00 0.00 C ATOM 245 C ASP A 16 -6.615 -15.489 1.129 1.00 0.00 C ATOM 246 O ASP A 16 -7.583 -14.777 1.390 1.00 0.00 O ATOM 247 CB ASP A 16 -4.125 -15.291 1.004 1.00 0.00 C ATOM 248 CG ASP A 16 -2.938 -14.609 0.351 1.00 0.00 C ATOM 249 OD1 ASP A 16 -3.053 -14.215 -0.827 1.00 0.00 O ATOM 250 OD2 ASP A 16 -1.891 -14.469 1.020 1.00 0.00 O ATOM 0 H ASP A 16 -5.252 -12.955 0.921 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.465 -15.423 -0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.180 -14.994 2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.976 -16.371 0.986 1.00 0.00 H new ATOM 255 N ASP A 17 -6.517 -16.753 1.530 1.00 0.00 N ATOM 256 CA ASP A 17 -7.566 -17.387 2.319 1.00 0.00 C ATOM 257 C ASP A 17 -7.786 -16.643 3.633 1.00 0.00 C ATOM 258 O ASP A 17 -8.899 -16.605 4.156 1.00 0.00 O ATOM 259 CB ASP A 17 -7.209 -18.848 2.600 1.00 0.00 C ATOM 260 CG ASP A 17 -8.427 -19.685 2.943 1.00 0.00 C ATOM 261 OD1 ASP A 17 -9.018 -19.459 4.020 1.00 0.00 O ATOM 262 OD2 ASP A 17 -8.789 -20.565 2.136 1.00 0.00 O ATOM 0 H ASP A 17 -5.722 -17.357 1.321 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.491 -17.350 1.743 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.714 -19.273 1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.497 -18.893 3.424 1.00 0.00 H new ATOM 267 N ASN A 18 -6.717 -16.057 4.159 1.00 0.00 N ATOM 268 CA ASN A 18 -6.792 -15.314 5.412 1.00 0.00 C ATOM 269 C ASN A 18 -7.151 -13.853 5.158 1.00 0.00 C ATOM 270 O ASN A 18 -7.988 -13.278 5.855 1.00 0.00 O ATOM 271 CB ASN A 18 -5.462 -15.401 6.162 1.00 0.00 C ATOM 272 CG ASN A 18 -4.296 -14.909 5.329 1.00 0.00 C ATOM 273 OD1 ASN A 18 -3.938 -13.732 5.375 1.00 0.00 O ATOM 274 ND2 ASN A 18 -3.694 -15.810 4.560 1.00 0.00 N ATOM 0 H ASN A 18 -5.788 -16.082 3.738 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.576 -15.761 6.024 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.525 -14.813 7.077 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.282 -16.434 6.459 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.903 -15.536 3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.023 -16.775 4.552 1.00 0.00 H new ATOM 281 N GLY A 19 -6.510 -13.258 4.157 1.00 0.00 N ATOM 282 CA GLY A 19 -6.774 -11.869 3.830 1.00 0.00 C ATOM 283 C GLY A 19 -5.502 -11.064 3.646 1.00 0.00 C ATOM 284 O GLY A 19 -4.439 -11.625 3.383 1.00 0.00 O ATOM 0 H GLY A 19 -5.813 -13.713 3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.366 -11.820 2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.373 -11.420 4.622 1.00 0.00 H new ATOM 288 N PHE A 20 -5.613 -9.747 3.784 1.00 0.00 N ATOM 289 CA PHE A 20 -4.462 -8.865 3.632 1.00 0.00 C ATOM 290 C PHE A 20 -3.707 -8.722 4.950 1.00 0.00 C ATOM 291 O PHE A 20 -4.253 -8.236 5.940 1.00 0.00 O ATOM 292 CB PHE A 20 -4.911 -7.488 3.136 1.00 0.00 C ATOM 293 CG PHE A 20 -5.595 -7.525 1.799 1.00 0.00 C ATOM 294 CD1 PHE A 20 -4.891 -7.865 0.656 1.00 0.00 C ATOM 295 CD2 PHE A 20 -6.943 -7.222 1.689 1.00 0.00 C ATOM 296 CE1 PHE A 20 -5.519 -7.900 -0.576 1.00 0.00 C ATOM 297 CE2 PHE A 20 -7.575 -7.255 0.461 1.00 0.00 C ATOM 298 CZ PHE A 20 -6.864 -7.594 -0.673 1.00 0.00 C ATOM 0 H PHE A 20 -6.487 -9.268 4.000 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.791 -9.308 2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.588 -7.050 3.869 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.042 -6.833 3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.841 -8.105 0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.505 -6.957 2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.960 -8.166 -1.461 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.626 -7.016 0.388 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.357 -7.620 -1.633 1.00 0.00 H new ATOM 308 N GLY A 21 -2.449 -9.149 4.954 1.00 0.00 N ATOM 309 CA GLY A 21 -1.638 -9.061 6.155 1.00 0.00 C ATOM 310 C GLY A 21 -1.103 -7.663 6.394 1.00 0.00 C ATOM 311 O GLY A 21 -0.841 -7.278 7.533 1.00 0.00 O ATOM 0 H GLY A 21 -1.976 -9.555 4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.233 -9.371 7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.803 -9.758 6.077 1.00 0.00 H new ATOM 315 N LEU A 22 -0.940 -6.900 5.317 1.00 0.00 N ATOM 316 CA LEU A 22 -0.431 -5.536 5.415 1.00 0.00 C ATOM 317 C LEU A 22 -1.324 -4.685 6.314 1.00 0.00 C ATOM 318 O LEU A 22 -2.550 -4.779 6.256 1.00 0.00 O ATOM 319 CB LEU A 22 -0.335 -4.905 4.026 1.00 0.00 C ATOM 320 CG LEU A 22 -1.669 -4.744 3.292 1.00 0.00 C ATOM 321 CD1 LEU A 22 -2.256 -3.366 3.551 1.00 0.00 C ATOM 322 CD2 LEU A 22 -1.488 -4.976 1.800 1.00 0.00 C ATOM 0 H LEU A 22 -1.153 -7.203 4.367 1.00 0.00 H new ATOM 0 HA LEU A 22 0.564 -5.577 5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.130 -3.924 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.328 -5.514 3.412 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.365 -5.491 3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.204 -3.269 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.423 -3.237 4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.563 -2.603 3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.446 -4.857 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.776 -4.252 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.111 -5.985 1.632 1.00 0.00 H new ATOM 334 N THR A 23 -0.701 -3.855 7.143 1.00 0.00 N ATOM 335 CA THR A 23 -1.438 -2.987 8.055 1.00 0.00 C ATOM 336 C THR A 23 -1.385 -1.536 7.589 1.00 0.00 C ATOM 337 O THR A 23 -0.325 -1.029 7.222 1.00 0.00 O ATOM 338 CB THR A 23 -0.873 -3.103 9.471 1.00 0.00 C ATOM 339 OG1 THR A 23 -0.652 -4.458 9.815 1.00 0.00 O ATOM 340 CG2 THR A 23 -1.777 -2.502 10.527 1.00 0.00 C ATOM 0 H THR A 23 0.313 -3.765 7.203 1.00 0.00 H new ATOM 0 HA THR A 23 -2.480 -3.308 8.060 1.00 0.00 H new ATOM 0 HB THR A 23 0.062 -2.544 9.455 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.289 -4.510 10.724 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.317 -2.618 11.508 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.926 -1.442 10.319 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.740 -3.013 10.515 1.00 0.00 H new ATOM 348 N VAL A 24 -2.538 -0.872 7.606 1.00 0.00 N ATOM 349 CA VAL A 24 -2.625 0.522 7.186 1.00 0.00 C ATOM 350 C VAL A 24 -3.026 1.421 8.350 1.00 0.00 C ATOM 351 O VAL A 24 -3.934 1.098 9.115 1.00 0.00 O ATOM 352 CB VAL A 24 -3.641 0.699 6.042 1.00 0.00 C ATOM 353 CG1 VAL A 24 -3.609 2.127 5.516 1.00 0.00 C ATOM 354 CG2 VAL A 24 -3.365 -0.294 4.923 1.00 0.00 C ATOM 0 H VAL A 24 -3.424 -1.278 7.906 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.635 0.810 6.832 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.639 0.502 6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.333 2.234 4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.860 2.817 6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.611 2.354 5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.093 -0.153 4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.361 -0.131 4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.443 -1.310 5.310 1.00 0.00 H new ATOM 364 N SER A 25 -2.343 2.554 8.478 1.00 0.00 N ATOM 365 CA SER A 25 -2.630 3.503 9.547 1.00 0.00 C ATOM 366 C SER A 25 -2.327 4.931 9.104 1.00 0.00 C ATOM 367 O SER A 25 -1.265 5.205 8.545 1.00 0.00 O ATOM 368 CB SER A 25 -1.814 3.161 10.794 1.00 0.00 C ATOM 369 OG SER A 25 -2.010 4.124 11.814 1.00 0.00 O ATOM 0 H SER A 25 -1.587 2.837 7.855 1.00 0.00 H new ATOM 0 HA SER A 25 -3.691 3.433 9.785 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.101 2.175 11.161 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.756 3.110 10.537 1.00 0.00 H new ATOM 0 HG SER A 25 -1.478 3.880 12.600 1.00 0.00 H new ATOM 375 N GLY A 26 -3.268 5.836 9.354 1.00 0.00 N ATOM 376 CA GLY A 26 -3.081 7.224 8.973 1.00 0.00 C ATOM 377 C GLY A 26 -4.285 8.084 9.302 1.00 0.00 C ATOM 378 O GLY A 26 -5.403 7.781 8.889 1.00 0.00 O ATOM 0 H GLY A 26 -4.156 5.633 9.813 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.204 7.622 9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.880 7.280 7.903 1.00 0.00 H new ATOM 382 N ASP A 27 -4.056 9.161 10.047 1.00 0.00 N ATOM 383 CA ASP A 27 -5.131 10.069 10.430 1.00 0.00 C ATOM 384 C ASP A 27 -5.688 10.796 9.211 1.00 0.00 C ATOM 385 O ASP A 27 -6.735 10.423 8.678 1.00 0.00 O ATOM 386 CB ASP A 27 -4.630 11.080 11.463 1.00 0.00 C ATOM 387 CG ASP A 27 -5.036 10.712 12.878 1.00 0.00 C ATOM 388 OD1 ASP A 27 -6.225 10.896 13.220 1.00 0.00 O ATOM 389 OD2 ASP A 27 -4.169 10.242 13.641 1.00 0.00 O ATOM 0 H ASP A 27 -3.135 9.426 10.397 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.933 9.479 10.874 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.544 11.146 11.405 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.023 12.068 11.221 1.00 0.00 H new ATOM 394 N ASN A 28 -4.985 11.833 8.770 1.00 0.00 N ATOM 395 CA ASN A 28 -5.410 12.610 7.610 1.00 0.00 C ATOM 396 C ASN A 28 -5.061 11.885 6.313 1.00 0.00 C ATOM 397 O ASN A 28 -5.944 11.543 5.525 1.00 0.00 O ATOM 398 CB ASN A 28 -4.764 13.996 7.630 1.00 0.00 C ATOM 399 CG ASN A 28 -5.680 15.053 8.216 1.00 0.00 C ATOM 400 OD1 ASN A 28 -5.826 16.141 7.659 1.00 0.00 O ATOM 401 ND2 ASN A 28 -6.300 14.737 9.346 1.00 0.00 N ATOM 0 H ASN A 28 -4.117 12.156 9.198 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.493 12.726 7.658 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.842 13.956 8.210 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.489 14.280 6.614 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.928 15.408 9.788 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.149 13.823 9.772 1.00 0.00 H new ATOM 408 N PRO A 29 -3.760 11.636 6.071 1.00 0.00 N ATOM 409 CA PRO A 29 -3.302 10.948 4.863 1.00 0.00 C ATOM 410 C PRO A 29 -3.542 9.443 4.930 1.00 0.00 C ATOM 411 O PRO A 29 -4.255 8.957 5.808 1.00 0.00 O ATOM 412 CB PRO A 29 -1.806 11.251 4.840 1.00 0.00 C ATOM 413 CG PRO A 29 -1.435 11.409 6.273 1.00 0.00 C ATOM 414 CD PRO A 29 -2.637 12.006 6.955 1.00 0.00 C ATOM 0 HA PRO A 29 -3.834 11.280 3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.245 10.443 4.372 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.593 12.157 4.273 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.174 10.448 6.716 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.565 12.057 6.381 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.769 11.604 7.959 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.545 13.088 7.054 1.00 0.00 H new ATOM 422 N VAL A 30 -2.940 8.711 3.999 1.00 0.00 N ATOM 423 CA VAL A 30 -3.087 7.261 3.955 1.00 0.00 C ATOM 424 C VAL A 30 -1.771 6.585 3.585 1.00 0.00 C ATOM 425 O VAL A 30 -1.301 6.696 2.455 1.00 0.00 O ATOM 426 CB VAL A 30 -4.169 6.836 2.944 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.450 5.346 3.057 1.00 0.00 C ATOM 428 CG2 VAL A 30 -5.440 7.644 3.153 1.00 0.00 C ATOM 0 H VAL A 30 -2.346 9.098 3.265 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.388 6.944 4.954 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.800 7.036 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.217 5.065 2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.537 4.787 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.798 5.117 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.193 7.331 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.815 7.478 4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.224 8.704 3.016 1.00 0.00 H new ATOM 438 N PHE A 31 -1.180 5.885 4.548 1.00 0.00 N ATOM 439 CA PHE A 31 0.081 5.190 4.324 1.00 0.00 C ATOM 440 C PHE A 31 0.049 3.794 4.934 1.00 0.00 C ATOM 441 O PHE A 31 -0.635 3.556 5.929 1.00 0.00 O ATOM 442 CB PHE A 31 1.241 5.992 4.918 1.00 0.00 C ATOM 443 CG PHE A 31 1.018 6.401 6.346 1.00 0.00 C ATOM 444 CD1 PHE A 31 0.275 7.531 6.650 1.00 0.00 C ATOM 445 CD2 PHE A 31 1.552 5.656 7.384 1.00 0.00 C ATOM 446 CE1 PHE A 31 0.069 7.909 7.961 1.00 0.00 C ATOM 447 CE2 PHE A 31 1.349 6.029 8.700 1.00 0.00 C ATOM 448 CZ PHE A 31 0.606 7.157 8.989 1.00 0.00 C ATOM 0 H PHE A 31 -1.555 5.784 5.491 1.00 0.00 H new ATOM 0 HA PHE A 31 0.228 5.093 3.248 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.152 5.397 4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.402 6.885 4.314 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.148 8.123 5.851 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.134 4.773 7.163 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.512 8.792 8.184 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.771 5.439 9.501 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.445 7.451 10.016 1.00 0.00 H new ATOM 458 N VAL A 32 0.794 2.872 4.332 1.00 0.00 N ATOM 459 CA VAL A 32 0.850 1.499 4.819 1.00 0.00 C ATOM 460 C VAL A 32 1.987 1.318 5.818 1.00 0.00 C ATOM 461 O VAL A 32 3.154 1.539 5.493 1.00 0.00 O ATOM 462 CB VAL A 32 1.034 0.501 3.661 1.00 0.00 C ATOM 463 CG1 VAL A 32 0.891 -0.929 4.160 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.038 0.785 2.547 1.00 0.00 C ATOM 0 H VAL A 32 1.367 3.051 3.507 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.100 1.298 5.314 1.00 0.00 H new ATOM 0 HB VAL A 32 2.040 0.623 3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.024 -1.620 3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.647 -1.126 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.101 -1.067 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.184 0.070 1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.977 0.693 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.193 1.796 2.170 1.00 0.00 H new ATOM 474 N GLN A 33 1.637 0.916 7.035 1.00 0.00 N ATOM 475 CA GLN A 33 2.629 0.706 8.084 1.00 0.00 C ATOM 476 C GLN A 33 3.451 -0.550 7.816 1.00 0.00 C ATOM 477 O GLN A 33 4.674 -0.488 7.693 1.00 0.00 O ATOM 478 CB GLN A 33 1.943 0.598 9.447 1.00 0.00 C ATOM 479 CG GLN A 33 2.840 0.984 10.612 1.00 0.00 C ATOM 480 CD GLN A 33 2.151 0.832 11.954 1.00 0.00 C ATOM 481 OE1 GLN A 33 1.477 1.748 12.425 1.00 0.00 O ATOM 482 NE2 GLN A 33 2.318 -0.329 12.575 1.00 0.00 N ATOM 0 H GLN A 33 0.675 0.729 7.319 1.00 0.00 H new ATOM 0 HA GLN A 33 3.302 1.563 8.088 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.060 1.237 9.452 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.596 -0.425 9.590 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.737 0.365 10.596 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.164 2.017 10.489 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.886 -1.060 12.146 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.879 -0.490 13.481 1.00 0.00 H new ATOM 491 N SER A 34 2.772 -1.688 7.726 1.00 0.00 N ATOM 492 CA SER A 34 3.440 -2.960 7.472 1.00 0.00 C ATOM 493 C SER A 34 2.887 -3.627 6.218 1.00 0.00 C ATOM 494 O SER A 34 1.769 -3.338 5.792 1.00 0.00 O ATOM 495 CB SER A 34 3.279 -3.892 8.674 1.00 0.00 C ATOM 496 OG SER A 34 3.643 -5.222 8.340 1.00 0.00 O ATOM 0 H SER A 34 1.759 -1.756 7.825 1.00 0.00 H new ATOM 0 HA SER A 34 4.500 -2.760 7.315 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.898 -3.538 9.498 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.245 -3.870 9.019 1.00 0.00 H new ATOM 0 HG SER A 34 3.533 -5.798 9.125 1.00 0.00 H new ATOM 502 N VAL A 35 3.677 -4.520 5.630 1.00 0.00 N ATOM 503 CA VAL A 35 3.264 -5.228 4.425 1.00 0.00 C ATOM 504 C VAL A 35 3.584 -6.716 4.525 1.00 0.00 C ATOM 505 O VAL A 35 4.592 -7.106 5.115 1.00 0.00 O ATOM 506 CB VAL A 35 3.947 -4.647 3.170 1.00 0.00 C ATOM 507 CG1 VAL A 35 3.598 -3.176 3.005 1.00 0.00 C ATOM 508 CG2 VAL A 35 5.456 -4.840 3.239 1.00 0.00 C ATOM 0 H VAL A 35 4.606 -4.770 5.969 1.00 0.00 H new ATOM 0 HA VAL A 35 2.186 -5.098 4.334 1.00 0.00 H new ATOM 0 HB VAL A 35 3.577 -5.186 2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.089 -2.783 2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.518 -3.068 2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.936 -2.621 3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.917 -4.423 2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.848 -4.331 4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.684 -5.904 3.303 1.00 0.00 H new ATOM 518 N LYS A 36 2.719 -7.542 3.944 1.00 0.00 N ATOM 519 CA LYS A 36 2.911 -8.989 3.968 1.00 0.00 C ATOM 520 C LYS A 36 4.260 -9.371 3.368 1.00 0.00 C ATOM 521 O LYS A 36 4.412 -9.447 2.145 1.00 0.00 O ATOM 522 CB LYS A 36 1.785 -9.687 3.203 1.00 0.00 C ATOM 523 CG LYS A 36 1.552 -11.124 3.641 1.00 0.00 C ATOM 524 CD LYS A 36 0.089 -11.515 3.516 1.00 0.00 C ATOM 525 CE LYS A 36 -0.331 -11.640 2.060 1.00 0.00 C ATOM 526 NZ LYS A 36 -0.916 -10.374 1.538 1.00 0.00 N ATOM 0 H LYS A 36 1.880 -7.235 3.452 1.00 0.00 H new ATOM 0 HA LYS A 36 2.892 -9.314 5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.862 -9.122 3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.018 -9.674 2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.162 -11.794 3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.875 -11.247 4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.081 -12.462 4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.532 -10.769 4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.533 -11.916 1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.060 -12.444 1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.730 -10.593 0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.229 -9.782 2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.199 -9.862 0.986 1.00 0.00 H new ATOM 540 N GLU A 37 5.238 -9.613 4.235 1.00 0.00 N ATOM 541 CA GLU A 37 6.576 -9.990 3.796 1.00 0.00 C ATOM 542 C GLU A 37 6.571 -11.389 3.193 1.00 0.00 C ATOM 543 O GLU A 37 5.899 -12.290 3.697 1.00 0.00 O ATOM 544 CB GLU A 37 7.557 -9.929 4.969 1.00 0.00 C ATOM 545 CG GLU A 37 7.179 -10.838 6.125 1.00 0.00 C ATOM 546 CD GLU A 37 6.456 -10.102 7.235 1.00 0.00 C ATOM 547 OE1 GLU A 37 7.055 -9.175 7.821 1.00 0.00 O ATOM 548 OE2 GLU A 37 5.291 -10.452 7.519 1.00 0.00 O ATOM 0 H GLU A 37 5.128 -9.554 5.247 1.00 0.00 H new ATOM 0 HA GLU A 37 6.895 -9.283 3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.551 -10.200 4.615 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.616 -8.902 5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.545 -11.644 5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.080 -11.300 6.528 1.00 0.00 H new ATOM 555 N ASP A 38 7.325 -11.566 2.113 1.00 0.00 N ATOM 556 CA ASP A 38 7.405 -12.859 1.441 1.00 0.00 C ATOM 557 C ASP A 38 6.016 -13.355 1.047 1.00 0.00 C ATOM 558 O ASP A 38 5.769 -14.559 0.991 1.00 0.00 O ATOM 559 CB ASP A 38 8.090 -13.886 2.343 1.00 0.00 C ATOM 560 CG ASP A 38 8.963 -14.849 1.565 1.00 0.00 C ATOM 561 OD1 ASP A 38 8.438 -15.880 1.091 1.00 0.00 O ATOM 562 OD2 ASP A 38 10.175 -14.574 1.428 1.00 0.00 O ATOM 0 H ASP A 38 7.889 -10.832 1.685 1.00 0.00 H new ATOM 0 HA ASP A 38 7.996 -12.732 0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.698 -13.366 3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.332 -14.448 2.890 1.00 0.00 H new ATOM 567 N GLY A 39 5.112 -12.417 0.779 1.00 0.00 N ATOM 568 CA GLY A 39 3.759 -12.779 0.397 1.00 0.00 C ATOM 569 C GLY A 39 3.238 -11.953 -0.761 1.00 0.00 C ATOM 570 O GLY A 39 4.013 -11.359 -1.509 1.00 0.00 O ATOM 0 H GLY A 39 5.292 -11.414 0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.732 -13.834 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.098 -12.653 1.254 1.00 0.00 H new ATOM 574 N ALA A 40 1.918 -11.917 -0.912 1.00 0.00 N ATOM 575 CA ALA A 40 1.289 -11.162 -1.989 1.00 0.00 C ATOM 576 C ALA A 40 1.607 -9.673 -1.889 1.00 0.00 C ATOM 577 O ALA A 40 1.629 -8.965 -2.897 1.00 0.00 O ATOM 578 CB ALA A 40 -0.216 -11.381 -1.974 1.00 0.00 C ATOM 0 H ALA A 40 1.262 -12.403 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 40 1.694 -11.526 -2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.675 -10.812 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.431 -12.441 -2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.623 -11.047 -1.020 1.00 0.00 H new ATOM 584 N ALA A 41 1.843 -9.197 -0.670 1.00 0.00 N ATOM 585 CA ALA A 41 2.148 -7.788 -0.447 1.00 0.00 C ATOM 586 C ALA A 41 3.519 -7.414 -1.004 1.00 0.00 C ATOM 587 O ALA A 41 3.660 -6.407 -1.698 1.00 0.00 O ATOM 588 CB ALA A 41 2.074 -7.462 1.036 1.00 0.00 C ATOM 0 H ALA A 41 1.829 -9.765 0.177 1.00 0.00 H new ATOM 0 HA ALA A 41 1.402 -7.198 -0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.304 -6.407 1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.070 -7.672 1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.795 -8.073 1.579 1.00 0.00 H new ATOM 594 N MET A 42 4.527 -8.224 -0.696 1.00 0.00 N ATOM 595 CA MET A 42 5.881 -7.963 -1.173 1.00 0.00 C ATOM 596 C MET A 42 5.985 -8.205 -2.677 1.00 0.00 C ATOM 597 O MET A 42 6.722 -7.511 -3.379 1.00 0.00 O ATOM 598 CB MET A 42 6.893 -8.836 -0.422 1.00 0.00 C ATOM 599 CG MET A 42 6.988 -10.262 -0.940 1.00 0.00 C ATOM 600 SD MET A 42 8.252 -10.456 -2.211 1.00 0.00 S ATOM 601 CE MET A 42 9.677 -10.873 -1.209 1.00 0.00 C ATOM 0 H MET A 42 4.433 -9.062 -0.122 1.00 0.00 H new ATOM 0 HA MET A 42 6.112 -6.916 -0.979 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.877 -8.371 -0.487 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.622 -8.862 0.633 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.208 -10.932 -0.109 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.022 -10.563 -1.345 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.588 -10.696 -1.781 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.685 -10.253 -0.312 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.626 -11.924 -0.924 1.00 0.00 H new ATOM 611 N ARG A 43 5.243 -9.193 -3.164 1.00 0.00 N ATOM 612 CA ARG A 43 5.251 -9.529 -4.583 1.00 0.00 C ATOM 613 C ARG A 43 4.583 -8.432 -5.406 1.00 0.00 C ATOM 614 O ARG A 43 4.954 -8.190 -6.555 1.00 0.00 O ATOM 615 CB ARG A 43 4.539 -10.862 -4.818 1.00 0.00 C ATOM 616 CG ARG A 43 5.074 -11.636 -6.013 1.00 0.00 C ATOM 617 CD ARG A 43 6.135 -12.644 -5.598 1.00 0.00 C ATOM 618 NE ARG A 43 7.452 -12.304 -6.131 1.00 0.00 N ATOM 619 CZ ARG A 43 7.832 -12.548 -7.383 1.00 0.00 C ATOM 620 NH1 ARG A 43 7.000 -13.134 -8.234 1.00 0.00 N ATOM 621 NH2 ARG A 43 9.048 -12.205 -7.784 1.00 0.00 N ATOM 0 H ARG A 43 4.628 -9.776 -2.597 1.00 0.00 H new ATOM 0 HA ARG A 43 6.289 -9.618 -4.903 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.635 -11.478 -3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.475 -10.675 -4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.253 -12.154 -6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.496 -10.940 -6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.185 -12.690 -4.510 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.848 -13.636 -5.946 1.00 0.00 H new ATOM 0 HE ARG A 43 8.120 -11.853 -5.506 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.063 -13.400 -7.930 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.297 -13.318 -9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.691 -11.755 -7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.340 -12.392 -8.743 1.00 0.00 H new ATOM 635 N ALA A 44 3.596 -7.770 -4.811 1.00 0.00 N ATOM 636 CA ALA A 44 2.877 -6.698 -5.489 1.00 0.00 C ATOM 637 C ALA A 44 3.751 -5.455 -5.648 1.00 0.00 C ATOM 638 O ALA A 44 3.435 -4.564 -6.436 1.00 0.00 O ATOM 639 CB ALA A 44 1.605 -6.354 -4.728 1.00 0.00 C ATOM 0 H ALA A 44 3.276 -7.957 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 44 2.612 -7.050 -6.486 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.077 -5.552 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.964 -7.234 -4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.861 -6.029 -3.720 1.00 0.00 H new ATOM 645 N GLY A 45 4.849 -5.402 -4.900 1.00 0.00 N ATOM 646 CA GLY A 45 5.744 -4.264 -4.980 1.00 0.00 C ATOM 647 C GLY A 45 5.455 -3.222 -3.917 1.00 0.00 C ATOM 648 O GLY A 45 5.730 -2.036 -4.109 1.00 0.00 O ATOM 0 H GLY A 45 5.134 -6.126 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.773 -4.607 -4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.658 -3.807 -5.966 1.00 0.00 H new ATOM 652 N VAL A 46 4.899 -3.662 -2.792 1.00 0.00 N ATOM 653 CA VAL A 46 4.574 -2.756 -1.696 1.00 0.00 C ATOM 654 C VAL A 46 5.756 -2.598 -0.748 1.00 0.00 C ATOM 655 O VAL A 46 6.505 -3.545 -0.511 1.00 0.00 O ATOM 656 CB VAL A 46 3.353 -3.253 -0.899 1.00 0.00 C ATOM 657 CG1 VAL A 46 2.880 -2.183 0.074 1.00 0.00 C ATOM 658 CG2 VAL A 46 2.228 -3.660 -1.840 1.00 0.00 C ATOM 0 H VAL A 46 4.665 -4.639 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 46 4.337 -1.790 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 46 3.651 -4.130 -0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.017 -2.551 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.684 -1.944 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.600 -1.286 -0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.375 -4.008 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.930 -2.802 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.572 -4.461 -2.494 1.00 0.00 H new ATOM 668 N GLN A 47 5.919 -1.395 -0.208 1.00 0.00 N ATOM 669 CA GLN A 47 7.013 -1.113 0.715 1.00 0.00 C ATOM 670 C GLN A 47 6.485 -0.863 2.125 1.00 0.00 C ATOM 671 O GLN A 47 5.319 -0.513 2.309 1.00 0.00 O ATOM 672 CB GLN A 47 7.815 0.100 0.232 1.00 0.00 C ATOM 673 CG GLN A 47 9.231 -0.243 -0.200 1.00 0.00 C ATOM 674 CD GLN A 47 9.368 -0.363 -1.706 1.00 0.00 C ATOM 675 OE1 GLN A 47 9.855 -1.371 -2.218 1.00 0.00 O ATOM 676 NE2 GLN A 47 8.939 0.668 -2.423 1.00 0.00 N ATOM 0 H GLN A 47 5.308 -0.600 -0.393 1.00 0.00 H new ATOM 0 HA GLN A 47 7.667 -1.984 0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.291 0.563 -0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.857 0.840 1.031 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.914 0.525 0.163 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.531 -1.182 0.265 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.542 1.484 -1.957 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.006 0.645 -3.441 1.00 0.00 H new ATOM 685 N THR A 48 7.352 -1.043 3.116 1.00 0.00 N ATOM 686 CA THR A 48 6.974 -0.837 4.509 1.00 0.00 C ATOM 687 C THR A 48 7.008 0.647 4.865 1.00 0.00 C ATOM 688 O THR A 48 8.040 1.304 4.732 1.00 0.00 O ATOM 689 CB THR A 48 7.909 -1.618 5.434 1.00 0.00 C ATOM 690 OG1 THR A 48 8.564 -2.656 4.728 1.00 0.00 O ATOM 691 CG2 THR A 48 7.196 -2.246 6.613 1.00 0.00 C ATOM 0 H THR A 48 8.321 -1.331 2.980 1.00 0.00 H new ATOM 0 HA THR A 48 5.956 -1.202 4.643 1.00 0.00 H new ATOM 0 HB THR A 48 8.623 -0.884 5.808 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.158 -3.142 5.337 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.916 -2.785 7.229 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.721 -1.466 7.208 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.437 -2.940 6.252 1.00 0.00 H new ATOM 699 N GLY A 49 5.871 1.168 5.317 1.00 0.00 N ATOM 700 CA GLY A 49 5.793 2.569 5.682 1.00 0.00 C ATOM 701 C GLY A 49 5.793 3.483 4.471 1.00 0.00 C ATOM 702 O GLY A 49 6.474 4.509 4.460 1.00 0.00 O ATOM 0 H GLY A 49 5.004 0.645 5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.887 2.740 6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.636 2.822 6.325 1.00 0.00 H new ATOM 706 N ASP A 50 5.029 3.109 3.450 1.00 0.00 N ATOM 707 CA ASP A 50 4.943 3.901 2.229 1.00 0.00 C ATOM 708 C ASP A 50 3.693 4.773 2.232 1.00 0.00 C ATOM 709 O ASP A 50 2.717 4.476 2.921 1.00 0.00 O ATOM 710 CB ASP A 50 4.938 2.986 1.002 1.00 0.00 C ATOM 711 CG ASP A 50 3.877 1.905 1.092 1.00 0.00 C ATOM 712 OD1 ASP A 50 2.829 2.154 1.722 1.00 0.00 O ATOM 713 OD2 ASP A 50 4.097 0.811 0.532 1.00 0.00 O ATOM 0 H ASP A 50 4.460 2.262 3.444 1.00 0.00 H new ATOM 0 HA ASP A 50 5.817 4.551 2.186 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.769 3.584 0.107 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.918 2.521 0.894 1.00 0.00 H new ATOM 718 N ARG A 51 3.729 5.852 1.457 1.00 0.00 N ATOM 719 CA ARG A 51 2.599 6.770 1.369 1.00 0.00 C ATOM 720 C ARG A 51 1.666 6.377 0.229 1.00 0.00 C ATOM 721 O ARG A 51 2.114 6.068 -0.875 1.00 0.00 O ATOM 722 CB ARG A 51 3.092 8.203 1.169 1.00 0.00 C ATOM 723 CG ARG A 51 3.745 8.800 2.404 1.00 0.00 C ATOM 724 CD ARG A 51 4.704 9.922 2.040 1.00 0.00 C ATOM 725 NE ARG A 51 4.001 11.111 1.567 1.00 0.00 N ATOM 726 CZ ARG A 51 3.410 11.992 2.370 1.00 0.00 C ATOM 727 NH1 ARG A 51 3.433 11.820 3.688 1.00 0.00 N ATOM 728 NH2 ARG A 51 2.794 13.047 1.858 1.00 0.00 N ATOM 0 H ARG A 51 4.529 6.112 0.880 1.00 0.00 H new ATOM 0 HA ARG A 51 2.044 6.712 2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.806 8.221 0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.250 8.830 0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.976 9.181 3.075 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.283 8.021 2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.307 10.180 2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.391 9.576 1.268 1.00 0.00 H new ATOM 0 HE ARG A 51 3.961 11.276 0.561 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.905 11.009 4.088 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.978 12.499 4.299 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.773 13.184 0.848 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.341 13.722 2.474 1.00 0.00 H new ATOM 742 N ILE A 52 0.366 6.391 0.503 1.00 0.00 N ATOM 743 CA ILE A 52 -0.632 6.037 -0.500 1.00 0.00 C ATOM 744 C ILE A 52 -1.318 7.281 -1.054 1.00 0.00 C ATOM 745 O ILE A 52 -1.874 8.083 -0.304 1.00 0.00 O ATOM 746 CB ILE A 52 -1.702 5.091 0.079 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.040 3.946 0.848 1.00 0.00 C ATOM 748 CG2 ILE A 52 -2.586 4.548 -1.034 1.00 0.00 C ATOM 749 CD1 ILE A 52 -1.996 3.189 1.745 1.00 0.00 C ATOM 0 H ILE A 52 -0.022 6.644 1.412 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.103 5.526 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.328 5.654 0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.594 3.251 0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.227 4.347 1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.337 3.881 -0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.081 5.376 -1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.974 3.997 -1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.459 2.392 2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.423 3.871 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.796 2.758 1.143 1.00 0.00 H new ATOM 761 N ILE A 53 -1.274 7.436 -2.374 1.00 0.00 N ATOM 762 CA ILE A 53 -1.890 8.584 -3.028 1.00 0.00 C ATOM 763 C ILE A 53 -3.272 8.231 -3.571 1.00 0.00 C ATOM 764 O ILE A 53 -4.169 9.072 -3.604 1.00 0.00 O ATOM 765 CB ILE A 53 -1.017 9.107 -4.184 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.431 9.280 -3.720 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.572 10.421 -4.712 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.330 8.127 -4.105 1.00 0.00 C ATOM 0 H ILE A 53 -0.819 6.782 -3.010 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.986 9.364 -2.273 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.034 8.377 -4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.832 10.200 -4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.445 9.395 -2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.945 10.779 -5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.588 10.267 -5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.581 11.160 -3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.341 8.317 -3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.953 7.207 -3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.346 8.024 -5.190 1.00 0.00 H new ATOM 780 N LYS A 54 -3.434 6.981 -3.995 1.00 0.00 N ATOM 781 CA LYS A 54 -4.706 6.519 -4.537 1.00 0.00 C ATOM 782 C LYS A 54 -5.048 5.127 -4.014 1.00 0.00 C ATOM 783 O LYS A 54 -4.172 4.276 -3.868 1.00 0.00 O ATOM 784 CB LYS A 54 -4.659 6.505 -6.067 1.00 0.00 C ATOM 785 CG LYS A 54 -5.949 6.027 -6.714 1.00 0.00 C ATOM 786 CD LYS A 54 -6.013 6.426 -8.180 1.00 0.00 C ATOM 787 CE LYS A 54 -5.361 5.379 -9.069 1.00 0.00 C ATOM 788 NZ LYS A 54 -5.825 5.484 -10.481 1.00 0.00 N ATOM 0 H LYS A 54 -2.701 6.272 -3.973 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.483 7.211 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.435 7.510 -6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.841 5.862 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.022 4.943 -6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.803 6.448 -6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.053 6.561 -8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.515 7.385 -8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.278 5.495 -9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.588 4.384 -8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.674 4.576 -10.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.838 5.721 -10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.287 6.229 -10.969 1.00 0.00 H new ATOM 802 N VAL A 55 -6.328 4.903 -3.739 1.00 0.00 N ATOM 803 CA VAL A 55 -6.788 3.615 -3.237 1.00 0.00 C ATOM 804 C VAL A 55 -7.890 3.046 -4.124 1.00 0.00 C ATOM 805 O VAL A 55 -9.035 3.493 -4.072 1.00 0.00 O ATOM 806 CB VAL A 55 -7.314 3.728 -1.793 1.00 0.00 C ATOM 807 CG1 VAL A 55 -6.182 4.079 -0.839 1.00 0.00 C ATOM 808 CG2 VAL A 55 -8.435 4.754 -1.708 1.00 0.00 C ATOM 0 H VAL A 55 -7.066 5.598 -3.856 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.929 2.944 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.720 2.761 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.572 4.155 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.419 3.301 -0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.743 5.033 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.792 4.818 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.061 5.728 -2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.255 4.451 -2.359 1.00 0.00 H new ATOM 818 N ASN A 56 -7.536 2.058 -4.939 1.00 0.00 N ATOM 819 CA ASN A 56 -8.494 1.430 -5.840 1.00 0.00 C ATOM 820 C ASN A 56 -9.061 2.447 -6.826 1.00 0.00 C ATOM 821 O ASN A 56 -10.265 2.479 -7.079 1.00 0.00 O ATOM 822 CB ASN A 56 -9.629 0.784 -5.042 1.00 0.00 C ATOM 823 CG ASN A 56 -9.162 -0.415 -4.239 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.136 -1.020 -4.547 1.00 0.00 O ATOM 825 ND2 ASN A 56 -9.917 -0.764 -3.203 1.00 0.00 N ATOM 0 H ASN A 56 -6.592 1.675 -4.994 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.972 0.657 -6.405 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.062 1.523 -4.368 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.420 0.474 -5.726 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.654 -1.563 -2.626 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.760 -0.233 -2.984 1.00 0.00 H new ATOM 832 N GLY A 57 -8.184 3.278 -7.378 1.00 0.00 N ATOM 833 CA GLY A 57 -8.613 4.285 -8.329 1.00 0.00 C ATOM 834 C GLY A 57 -9.386 5.411 -7.671 1.00 0.00 C ATOM 835 O GLY A 57 -10.239 6.038 -8.300 1.00 0.00 O ATOM 0 H GLY A 57 -7.183 3.272 -7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.741 4.696 -8.837 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.236 3.818 -9.092 1.00 0.00 H new ATOM 839 N THR A 58 -9.093 5.666 -6.400 1.00 0.00 N ATOM 840 CA THR A 58 -9.771 6.721 -5.655 1.00 0.00 C ATOM 841 C THR A 58 -8.774 7.577 -4.881 1.00 0.00 C ATOM 842 O THR A 58 -8.530 7.345 -3.697 1.00 0.00 O ATOM 843 CB THR A 58 -10.795 6.117 -4.694 1.00 0.00 C ATOM 844 OG1 THR A 58 -11.590 5.148 -5.351 1.00 0.00 O ATOM 845 CG2 THR A 58 -11.729 7.145 -4.092 1.00 0.00 C ATOM 0 H THR A 58 -8.390 5.156 -5.864 1.00 0.00 H new ATOM 0 HA THR A 58 -10.286 7.360 -6.372 1.00 0.00 H new ATOM 0 HB THR A 58 -10.208 5.668 -3.893 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.238 4.773 -4.718 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.430 6.650 -3.420 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.149 7.881 -3.534 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.281 7.645 -4.888 1.00 0.00 H new ATOM 853 N LEU A 59 -8.201 8.569 -5.557 1.00 0.00 N ATOM 854 CA LEU A 59 -7.232 9.462 -4.931 1.00 0.00 C ATOM 855 C LEU A 59 -7.905 10.731 -4.412 1.00 0.00 C ATOM 856 O LEU A 59 -7.278 11.785 -4.324 1.00 0.00 O ATOM 857 CB LEU A 59 -6.130 9.829 -5.927 1.00 0.00 C ATOM 858 CG LEU A 59 -6.563 10.750 -7.071 1.00 0.00 C ATOM 859 CD1 LEU A 59 -5.396 11.604 -7.540 1.00 0.00 C ATOM 860 CD2 LEU A 59 -7.129 9.936 -8.224 1.00 0.00 C ATOM 0 H LEU A 59 -8.391 8.774 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.792 8.937 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.317 10.310 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.728 8.910 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.345 11.413 -6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.723 12.252 -8.353 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.036 12.215 -6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.591 10.959 -7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.432 10.606 -9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.368 9.248 -8.592 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.994 9.369 -7.879 1.00 0.00 H new ATOM 872 N VAL A 60 -9.187 10.624 -4.071 1.00 0.00 N ATOM 873 CA VAL A 60 -9.939 11.765 -3.563 1.00 0.00 C ATOM 874 C VAL A 60 -10.796 11.373 -2.366 1.00 0.00 C ATOM 875 O VAL A 60 -11.107 10.198 -2.171 1.00 0.00 O ATOM 876 CB VAL A 60 -10.846 12.367 -4.652 1.00 0.00 C ATOM 877 CG1 VAL A 60 -11.464 13.672 -4.171 1.00 0.00 C ATOM 878 CG2 VAL A 60 -10.068 12.581 -5.941 1.00 0.00 C ATOM 0 H VAL A 60 -9.725 9.760 -4.138 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.208 12.511 -3.253 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.652 11.662 -4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.102 14.083 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -12.060 13.485 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.673 14.384 -3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.727 13.007 -6.697 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.239 13.264 -5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.680 11.626 -6.294 1.00 0.00 H new ATOM 888 N THR A 61 -11.173 12.363 -1.565 1.00 0.00 N ATOM 889 CA THR A 61 -11.996 12.122 -0.385 1.00 0.00 C ATOM 890 C THR A 61 -11.289 11.186 0.590 1.00 0.00 C ATOM 891 O THR A 61 -11.294 9.968 0.412 1.00 0.00 O ATOM 892 CB THR A 61 -13.346 11.528 -0.791 1.00 0.00 C ATOM 893 OG1 THR A 61 -13.898 12.241 -1.883 1.00 0.00 O ATOM 894 CG2 THR A 61 -14.365 11.540 0.328 1.00 0.00 C ATOM 0 H THR A 61 -10.922 13.341 -1.711 1.00 0.00 H new ATOM 0 HA THR A 61 -12.162 13.078 0.112 1.00 0.00 H new ATOM 0 HB THR A 61 -13.138 10.492 -1.060 1.00 0.00 H new ATOM 0 HG1 THR A 61 -14.760 11.846 -2.130 1.00 0.00 H new ATOM 0 HG21 THR A 61 -15.300 11.105 -0.026 1.00 0.00 H new ATOM 0 HG22 THR A 61 -13.989 10.957 1.169 1.00 0.00 H new ATOM 0 HG23 THR A 61 -14.541 12.567 0.649 1.00 0.00 H new ATOM 902 N HIS A 62 -10.683 11.764 1.622 1.00 0.00 N ATOM 903 CA HIS A 62 -9.974 10.982 2.627 1.00 0.00 C ATOM 904 C HIS A 62 -10.951 10.194 3.493 1.00 0.00 C ATOM 905 O HIS A 62 -12.113 10.573 3.633 1.00 0.00 O ATOM 906 CB HIS A 62 -9.117 11.897 3.504 1.00 0.00 C ATOM 907 CG HIS A 62 -8.066 12.643 2.744 1.00 0.00 C ATOM 908 ND1 HIS A 62 -8.342 13.746 1.964 1.00 0.00 N ATOM 909 CD2 HIS A 62 -6.731 12.440 2.647 1.00 0.00 C ATOM 910 CE1 HIS A 62 -7.222 14.189 1.418 1.00 0.00 C ATOM 911 NE2 HIS A 62 -6.231 13.413 1.817 1.00 0.00 N ATOM 0 H HIS A 62 -10.669 12.771 1.784 1.00 0.00 H new ATOM 0 HA HIS A 62 -9.325 10.275 2.110 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.765 12.613 4.009 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.637 11.299 4.279 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.165 11.659 3.132 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.133 15.040 0.759 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -5.252 13.519 1.552 1.00 0.00 H new ATOM 920 N SER A 63 -10.471 9.098 4.073 1.00 0.00 N ATOM 921 CA SER A 63 -11.304 8.258 4.923 1.00 0.00 C ATOM 922 C SER A 63 -10.507 7.729 6.113 1.00 0.00 C ATOM 923 O SER A 63 -9.313 7.999 6.242 1.00 0.00 O ATOM 924 CB SER A 63 -11.878 7.090 4.120 1.00 0.00 C ATOM 925 OG SER A 63 -12.005 7.429 2.750 1.00 0.00 O ATOM 0 H SER A 63 -9.510 8.772 3.969 1.00 0.00 H new ATOM 0 HA SER A 63 -12.125 8.868 5.299 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.230 6.219 4.224 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.853 6.812 4.521 1.00 0.00 H new ATOM 0 HG SER A 63 -12.838 7.053 2.396 1.00 0.00 H new ATOM 931 N ASN A 64 -11.175 6.974 6.977 1.00 0.00 N ATOM 932 CA ASN A 64 -10.531 6.407 8.155 1.00 0.00 C ATOM 933 C ASN A 64 -10.045 4.988 7.878 1.00 0.00 C ATOM 934 O ASN A 64 -10.135 4.500 6.751 1.00 0.00 O ATOM 935 CB ASN A 64 -11.497 6.405 9.341 1.00 0.00 C ATOM 936 CG ASN A 64 -10.803 6.716 10.652 1.00 0.00 C ATOM 937 OD1 ASN A 64 -10.819 5.910 11.583 1.00 0.00 O ATOM 938 ND2 ASN A 64 -10.189 7.891 10.733 1.00 0.00 N ATOM 0 H ASN A 64 -12.163 6.740 6.884 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.669 7.027 8.400 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.284 7.139 9.166 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.980 5.430 9.411 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.706 8.156 11.591 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.201 8.529 9.937 1.00 0.00 H new ATOM 945 N HIS A 65 -9.529 4.331 8.911 1.00 0.00 N ATOM 946 CA HIS A 65 -9.027 2.968 8.779 1.00 0.00 C ATOM 947 C HIS A 65 -10.130 2.025 8.307 1.00 0.00 C ATOM 948 O HIS A 65 -9.917 1.202 7.416 1.00 0.00 O ATOM 949 CB HIS A 65 -8.460 2.480 10.113 1.00 0.00 C ATOM 950 CG HIS A 65 -7.571 1.282 9.984 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.938 0.141 9.302 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.323 1.052 10.455 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.956 -0.740 9.361 1.00 0.00 C ATOM 954 NE2 HIS A 65 -5.963 -0.212 10.054 1.00 0.00 N ATOM 0 H HIS A 65 -9.447 4.721 9.850 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.232 2.971 8.033 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.898 3.290 10.578 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.285 2.239 10.783 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.722 1.735 11.037 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.963 -1.725 8.918 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -5.074 -0.668 10.258 1.00 0.00 H new ATOM 963 N LEU A 66 -11.309 2.151 8.912 1.00 0.00 N ATOM 964 CA LEU A 66 -12.446 1.307 8.555 1.00 0.00 C ATOM 965 C LEU A 66 -12.746 1.402 7.062 1.00 0.00 C ATOM 966 O LEU A 66 -13.001 0.392 6.404 1.00 0.00 O ATOM 967 CB LEU A 66 -13.680 1.710 9.366 1.00 0.00 C ATOM 968 CG LEU A 66 -14.017 0.780 10.533 1.00 0.00 C ATOM 969 CD1 LEU A 66 -14.992 1.453 11.488 1.00 0.00 C ATOM 970 CD2 LEU A 66 -14.593 -0.531 10.018 1.00 0.00 C ATOM 0 H LEU A 66 -11.501 2.828 9.650 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.190 0.274 8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.528 2.717 9.755 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.539 1.754 8.696 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.098 0.563 11.078 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -15.220 0.776 12.312 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -14.545 2.366 11.881 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -15.911 1.700 10.956 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.827 -1.181 10.861 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -15.502 -0.331 9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.863 -1.021 9.374 1.00 0.00 H new ATOM 982 N GLU A 67 -12.706 2.619 6.533 1.00 0.00 N ATOM 983 CA GLU A 67 -12.965 2.835 5.117 1.00 0.00 C ATOM 984 C GLU A 67 -11.873 2.193 4.276 1.00 0.00 C ATOM 985 O GLU A 67 -12.143 1.615 3.223 1.00 0.00 O ATOM 986 CB GLU A 67 -13.056 4.332 4.812 1.00 0.00 C ATOM 987 CG GLU A 67 -14.311 4.991 5.361 1.00 0.00 C ATOM 988 CD GLU A 67 -15.230 5.502 4.268 1.00 0.00 C ATOM 989 OE1 GLU A 67 -14.721 5.857 3.184 1.00 0.00 O ATOM 990 OE2 GLU A 67 -16.457 5.546 4.496 1.00 0.00 O ATOM 0 H GLU A 67 -12.498 3.467 7.061 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.919 2.371 4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.182 4.833 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.023 4.477 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.852 4.274 5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.027 5.821 6.009 1.00 0.00 H new ATOM 997 N VAL A 68 -10.635 2.289 4.752 1.00 0.00 N ATOM 998 CA VAL A 68 -9.502 1.708 4.047 1.00 0.00 C ATOM 999 C VAL A 68 -9.597 0.186 4.046 1.00 0.00 C ATOM 1000 O VAL A 68 -9.430 -0.455 3.005 1.00 0.00 O ATOM 1001 CB VAL A 68 -8.164 2.130 4.683 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -6.993 1.640 3.846 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -8.106 3.641 4.859 1.00 0.00 C ATOM 0 H VAL A 68 -10.393 2.763 5.622 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.534 2.079 3.023 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.094 1.669 5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.058 1.949 4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.023 0.552 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.057 2.067 2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.153 3.918 5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.202 4.124 3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.921 3.963 5.507 1.00 0.00 H new ATOM 1013 N VAL A 69 -9.881 -0.385 5.213 1.00 0.00 N ATOM 1014 CA VAL A 69 -10.012 -1.830 5.332 1.00 0.00 C ATOM 1015 C VAL A 69 -11.224 -2.314 4.546 1.00 0.00 C ATOM 1016 O VAL A 69 -11.167 -3.336 3.863 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.141 -2.275 6.803 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -11.356 -1.634 7.451 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -10.213 -3.792 6.902 1.00 0.00 C ATOM 0 H VAL A 69 -10.024 0.128 6.083 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.105 -2.274 4.923 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.253 -1.942 7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.430 -1.960 8.488 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -11.256 -0.549 7.418 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.255 -1.932 6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.304 -4.084 7.948 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.080 -4.152 6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.307 -4.228 6.481 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.318 -1.564 4.637 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.536 -1.914 3.919 1.00 0.00 C ATOM 1031 C LYS A 70 -13.318 -1.795 2.415 1.00 0.00 C ATOM 1032 O LYS A 70 -13.797 -2.623 1.641 1.00 0.00 O ATOM 1033 CB LYS A 70 -14.694 -1.015 4.356 1.00 0.00 C ATOM 1034 CG LYS A 70 -16.061 -1.550 3.962 1.00 0.00 C ATOM 1035 CD LYS A 70 -17.176 -0.643 4.456 1.00 0.00 C ATOM 1036 CE LYS A 70 -17.592 -0.991 5.874 1.00 0.00 C ATOM 1037 NZ LYS A 70 -18.027 -2.411 5.994 1.00 0.00 N ATOM 0 H LYS A 70 -12.385 -0.715 5.198 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.789 -2.947 4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.659 -0.892 5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.560 -0.026 3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.118 -1.642 2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.194 -2.550 4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.846 0.395 4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.036 -0.728 3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.758 -0.808 6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.405 -0.335 6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.921 -2.457 6.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -18.166 -2.813 5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.298 -2.956 6.498 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.586 -0.761 2.011 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.296 -0.538 0.600 1.00 0.00 C ATOM 1053 C LEU A 71 -11.357 -1.613 0.071 1.00 0.00 C ATOM 1054 O LEU A 71 -11.594 -2.187 -0.992 1.00 0.00 O ATOM 1055 CB LEU A 71 -11.679 0.848 0.392 1.00 0.00 C ATOM 1056 CG LEU A 71 -12.672 1.949 0.011 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -13.273 1.676 -1.358 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -13.768 2.065 1.061 1.00 0.00 C ATOM 0 H LEU A 71 -12.184 -0.066 2.640 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.234 -0.590 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.168 1.142 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.921 0.778 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.135 2.896 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.976 2.469 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.479 1.643 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.795 0.720 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.465 2.852 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.302 1.118 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.323 2.308 2.026 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.292 -1.888 0.819 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.330 -2.905 0.416 1.00 0.00 C ATOM 1072 C ILE A 72 -9.952 -4.297 0.477 1.00 0.00 C ATOM 1073 O ILE A 72 -9.653 -5.155 -0.354 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.060 -2.871 1.291 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -7.008 -3.838 0.743 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -8.395 -3.207 2.734 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -5.599 -3.288 0.787 1.00 0.00 C ATOM 0 H ILE A 72 -10.076 -1.424 1.701 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.045 -2.682 -0.612 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.649 -1.862 1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.045 -4.765 1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.259 -4.089 -0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.486 -3.178 3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.109 -2.480 3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.831 -4.205 2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.907 -4.027 0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.545 -2.377 0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.328 -3.063 1.819 1.00 0.00 H new ATOM 1089 N LYS A 73 -10.820 -4.515 1.462 1.00 0.00 N ATOM 1090 CA LYS A 73 -11.482 -5.805 1.622 1.00 0.00 C ATOM 1091 C LYS A 73 -12.505 -6.029 0.514 1.00 0.00 C ATOM 1092 O LYS A 73 -12.755 -7.165 0.108 1.00 0.00 O ATOM 1093 CB LYS A 73 -12.166 -5.889 2.988 1.00 0.00 C ATOM 1094 CG LYS A 73 -11.233 -6.313 4.111 1.00 0.00 C ATOM 1095 CD LYS A 73 -11.988 -7.023 5.224 1.00 0.00 C ATOM 1096 CE LYS A 73 -11.070 -7.374 6.382 1.00 0.00 C ATOM 1097 NZ LYS A 73 -11.834 -7.803 7.587 1.00 0.00 N ATOM 0 H LYS A 73 -11.080 -3.817 2.159 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.723 -6.585 1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.595 -4.917 3.231 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.993 -6.596 2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.461 -6.973 3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.726 -5.437 4.515 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.798 -6.386 5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.446 -7.932 4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.392 -8.172 6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.454 -6.510 6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.171 -8.034 8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.462 -7.033 7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.403 -8.643 7.357 1.00 0.00 H new ATOM 1111 N SER A 74 -13.095 -4.940 0.029 1.00 0.00 N ATOM 1112 CA SER A 74 -14.091 -5.022 -1.032 1.00 0.00 C ATOM 1113 C SER A 74 -13.461 -5.502 -2.336 1.00 0.00 C ATOM 1114 O SER A 74 -13.194 -4.707 -3.237 1.00 0.00 O ATOM 1115 CB SER A 74 -14.754 -3.659 -1.244 1.00 0.00 C ATOM 1116 OG SER A 74 -13.859 -2.747 -1.856 1.00 0.00 O ATOM 0 H SER A 74 -12.900 -3.993 0.354 1.00 0.00 H new ATOM 0 HA SER A 74 -14.849 -5.745 -0.729 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.641 -3.775 -1.866 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.087 -3.260 -0.286 1.00 0.00 H new ATOM 0 HG SER A 74 -12.950 -2.911 -1.528 1.00 0.00 H new ATOM 1122 N GLY A 75 -13.225 -6.808 -2.427 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.628 -7.371 -3.623 1.00 0.00 C ATOM 1124 C GLY A 75 -11.358 -8.145 -3.328 1.00 0.00 C ATOM 1125 O GLY A 75 -10.601 -7.787 -2.425 1.00 0.00 O ATOM 0 H GLY A 75 -13.437 -7.485 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.347 -8.031 -4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.406 -6.569 -4.327 1.00 0.00 H new ATOM 1129 N SER A 76 -11.124 -9.208 -4.090 1.00 0.00 N ATOM 1130 CA SER A 76 -9.937 -10.035 -3.906 1.00 0.00 C ATOM 1131 C SER A 76 -8.684 -9.296 -4.362 1.00 0.00 C ATOM 1132 O SER A 76 -7.670 -9.282 -3.663 1.00 0.00 O ATOM 1133 CB SER A 76 -10.080 -11.347 -4.678 1.00 0.00 C ATOM 1134 OG SER A 76 -8.977 -12.203 -4.437 1.00 0.00 O ATOM 0 H SER A 76 -11.741 -9.517 -4.841 1.00 0.00 H new ATOM 0 HA SER A 76 -9.839 -10.256 -2.843 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.003 -11.847 -4.384 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.156 -11.138 -5.745 1.00 0.00 H new ATOM 0 HG SER A 76 -9.093 -13.036 -4.941 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.759 -8.686 -5.540 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.629 -7.946 -6.091 1.00 0.00 C ATOM 1142 C TYR A 77 -7.746 -6.458 -5.772 1.00 0.00 C ATOM 1143 O TYR A 77 -8.724 -5.808 -6.145 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.547 -8.152 -7.605 1.00 0.00 C ATOM 1145 CG TYR A 77 -6.522 -9.184 -8.020 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -6.670 -10.519 -7.667 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -5.408 -8.822 -8.767 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -5.736 -11.464 -8.044 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -4.470 -9.761 -9.150 1.00 0.00 C ATOM 1150 CZ TYR A 77 -4.638 -11.081 -8.785 1.00 0.00 C ATOM 1151 OH TYR A 77 -3.705 -12.019 -9.164 1.00 0.00 O ATOM 0 H TYR A 77 -9.590 -8.689 -6.132 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.717 -8.327 -5.631 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.526 -8.455 -7.976 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.306 -7.201 -8.080 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.530 -10.823 -7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.273 -7.789 -9.053 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.865 -12.498 -7.760 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.610 -9.464 -9.732 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.995 -11.584 -9.681 1.00 0.00 H new ATOM 1161 N VAL A 78 -6.745 -5.924 -5.080 1.00 0.00 N ATOM 1162 CA VAL A 78 -6.735 -4.514 -4.712 1.00 0.00 C ATOM 1163 C VAL A 78 -5.559 -3.786 -5.359 1.00 0.00 C ATOM 1164 O VAL A 78 -4.462 -4.334 -5.470 1.00 0.00 O ATOM 1165 CB VAL A 78 -6.664 -4.334 -3.182 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -5.379 -4.934 -2.629 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -6.777 -2.864 -2.809 1.00 0.00 C ATOM 0 H VAL A 78 -5.929 -6.448 -4.763 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.668 -4.083 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.506 -4.864 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.349 -4.796 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.346 -5.999 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.521 -4.437 -3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.725 -2.759 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.959 -2.308 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.728 -2.470 -3.166 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.798 -2.550 -5.784 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.761 -1.747 -6.419 1.00 0.00 C ATOM 1179 C ALA A 79 -4.782 -0.314 -5.900 1.00 0.00 C ATOM 1180 O ALA A 79 -5.767 0.403 -6.068 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.931 -1.766 -7.931 1.00 0.00 C ATOM 0 H ALA A 79 -6.701 -2.083 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.794 -2.182 -6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.150 -1.162 -8.393 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.858 -2.792 -8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.907 -1.358 -8.193 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.687 0.098 -5.268 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.581 1.447 -4.725 1.00 0.00 C ATOM 1189 C LEU A 80 -2.221 2.057 -5.044 1.00 0.00 C ATOM 1190 O LEU A 80 -1.184 1.409 -4.885 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.801 1.427 -3.211 1.00 0.00 C ATOM 1192 CG LEU A 80 -3.030 0.341 -2.458 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -1.663 0.855 -2.032 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -3.822 -0.134 -1.250 1.00 0.00 C ATOM 0 H LEU A 80 -2.862 -0.483 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.352 2.061 -5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.519 2.399 -2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.865 1.297 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.885 -0.506 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.129 0.069 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.093 1.146 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.786 1.718 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.259 -0.906 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.998 0.706 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.778 -0.542 -1.579 1.00 0.00 H new ATOM 1206 N THR A 81 -2.230 3.308 -5.495 1.00 0.00 N ATOM 1207 CA THR A 81 -0.996 4.008 -5.835 1.00 0.00 C ATOM 1208 C THR A 81 -0.257 4.454 -4.578 1.00 0.00 C ATOM 1209 O THR A 81 -0.811 5.162 -3.738 1.00 0.00 O ATOM 1210 CB THR A 81 -1.298 5.218 -6.719 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.174 4.864 -7.773 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.061 5.833 -7.337 1.00 0.00 C ATOM 0 H THR A 81 -3.078 3.857 -5.633 1.00 0.00 H new ATOM 0 HA THR A 81 -0.356 3.316 -6.383 1.00 0.00 H new ATOM 0 HB THR A 81 -1.755 5.952 -6.055 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.770 4.150 -8.309 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.347 6.686 -7.952 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.614 6.164 -6.548 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.443 5.092 -7.957 1.00 0.00 H new ATOM 1220 N VAL A 82 1.000 4.034 -4.455 1.00 0.00 N ATOM 1221 CA VAL A 82 1.816 4.390 -3.301 1.00 0.00 C ATOM 1222 C VAL A 82 3.103 5.086 -3.729 1.00 0.00 C ATOM 1223 O VAL A 82 3.384 5.212 -4.921 1.00 0.00 O ATOM 1224 CB VAL A 82 2.173 3.148 -2.461 1.00 0.00 C ATOM 1225 CG1 VAL A 82 0.956 2.645 -1.700 1.00 0.00 C ATOM 1226 CG2 VAL A 82 2.752 2.054 -3.347 1.00 0.00 C ATOM 0 H VAL A 82 1.474 3.447 -5.141 1.00 0.00 H new ATOM 0 HA VAL A 82 1.222 5.073 -2.694 1.00 0.00 H new ATOM 0 HB VAL A 82 2.931 3.432 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.230 1.768 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.594 3.428 -1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.170 2.378 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.998 1.185 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.019 1.772 -4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.654 2.421 -3.836 1.00 0.00 H new ATOM 1236 N GLN A 83 3.880 5.535 -2.750 1.00 0.00 N ATOM 1237 CA GLN A 83 5.139 6.219 -3.023 1.00 0.00 C ATOM 1238 C GLN A 83 6.198 5.841 -1.992 1.00 0.00 C ATOM 1239 O GLN A 83 5.924 5.798 -0.794 1.00 0.00 O ATOM 1240 CB GLN A 83 4.929 7.733 -3.026 1.00 0.00 C ATOM 1241 CG GLN A 83 6.006 8.495 -3.783 1.00 0.00 C ATOM 1242 CD GLN A 83 5.792 9.996 -3.749 1.00 0.00 C ATOM 1243 OE1 GLN A 83 5.535 10.573 -2.693 1.00 0.00 O ATOM 1244 NE2 GLN A 83 5.897 10.634 -4.909 1.00 0.00 N ATOM 0 H GLN A 83 3.660 5.438 -1.759 1.00 0.00 H new ATOM 0 HA GLN A 83 5.489 5.906 -4.007 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.958 7.956 -3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.899 8.089 -1.996 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.981 8.261 -3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.024 8.158 -4.819 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.112 10.114 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.763 11.644 -4.949 1.00 0.00 H new ATOM 1253 N GLY A 84 7.408 5.567 -2.468 1.00 0.00 N ATOM 1254 CA GLY A 84 8.489 5.197 -1.574 1.00 0.00 C ATOM 1255 C GLY A 84 9.826 5.107 -2.284 1.00 0.00 C ATOM 1256 O GLY A 84 10.500 6.118 -2.484 1.00 0.00 O ATOM 0 H GLY A 84 7.659 5.595 -3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.557 5.929 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.261 4.236 -1.112 1.00 0.00 H new ATOM 1260 N ARG A 85 10.210 3.893 -2.667 1.00 0.00 N ATOM 1261 CA ARG A 85 11.475 3.674 -3.360 1.00 0.00 C ATOM 1262 C ARG A 85 12.656 4.075 -2.477 1.00 0.00 C ATOM 1263 O ARG A 85 13.236 5.147 -2.651 1.00 0.00 O ATOM 1264 CB ARG A 85 11.507 4.464 -4.672 1.00 0.00 C ATOM 1265 CG ARG A 85 11.386 3.590 -5.910 1.00 0.00 C ATOM 1266 CD ARG A 85 12.084 4.217 -7.105 1.00 0.00 C ATOM 1267 NE ARG A 85 12.794 3.225 -7.908 1.00 0.00 N ATOM 1268 CZ ARG A 85 13.754 3.525 -8.779 1.00 0.00 C ATOM 1269 NH1 ARG A 85 14.123 4.786 -8.963 1.00 0.00 N ATOM 1270 NH2 ARG A 85 14.348 2.561 -9.468 1.00 0.00 N ATOM 0 H ARG A 85 9.664 3.046 -2.509 1.00 0.00 H new ATOM 0 HA ARG A 85 11.559 2.611 -3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.694 5.191 -4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.438 5.028 -4.725 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.818 2.610 -5.708 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.333 3.432 -6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.349 4.728 -7.727 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.788 4.973 -6.758 1.00 0.00 H new ATOM 0 HE ARG A 85 12.539 2.244 -7.794 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.670 5.532 -8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.860 5.009 -9.632 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.069 1.590 -9.330 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.084 2.791 -10.136 1.00 0.00 H new ATOM 1284 N PRO A 86 13.029 3.213 -1.516 1.00 0.00 N ATOM 1285 CA PRO A 86 14.146 3.482 -0.605 1.00 0.00 C ATOM 1286 C PRO A 86 15.501 3.347 -1.295 1.00 0.00 C ATOM 1287 O PRO A 86 15.586 2.869 -2.426 1.00 0.00 O ATOM 1288 CB PRO A 86 13.985 2.410 0.473 1.00 0.00 C ATOM 1289 CG PRO A 86 13.300 1.282 -0.217 1.00 0.00 C ATOM 1290 CD PRO A 86 12.391 1.911 -1.239 1.00 0.00 C ATOM 0 HA PRO A 86 14.125 4.501 -0.219 1.00 0.00 H new ATOM 0 HB2 PRO A 86 14.951 2.102 0.873 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.395 2.778 1.313 1.00 0.00 H new ATOM 0 HG2 PRO A 86 14.023 0.619 -0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.732 0.678 0.491 1.00 0.00 H new ATOM 0 HD2 PRO A 86 12.317 1.301 -2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.379 2.034 -0.854 1.00 0.00 H new ATOM 1298 N PRO A 87 16.584 3.771 -0.619 1.00 0.00 N ATOM 1299 CA PRO A 87 17.939 3.693 -1.173 1.00 0.00 C ATOM 1300 C PRO A 87 18.288 2.289 -1.656 1.00 0.00 C ATOM 1301 O PRO A 87 17.441 1.394 -1.658 1.00 0.00 O ATOM 1302 CB PRO A 87 18.831 4.090 0.004 1.00 0.00 C ATOM 1303 CG PRO A 87 17.957 4.917 0.881 1.00 0.00 C ATOM 1304 CD PRO A 87 16.571 4.353 0.735 1.00 0.00 C ATOM 0 HA PRO A 87 18.057 4.333 -2.048 1.00 0.00 H new ATOM 0 HB2 PRO A 87 19.204 3.212 0.532 1.00 0.00 H new ATOM 0 HB3 PRO A 87 19.701 4.654 -0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 87 18.290 4.871 1.918 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.985 5.965 0.583 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.361 3.600 1.495 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.809 5.126 0.833 1.00 0.00 H new ATOM 1312 N GLY A 88 19.538 2.101 -2.062 1.00 0.00 N ATOM 1313 CA GLY A 88 19.977 0.803 -2.540 1.00 0.00 C ATOM 1314 C GLY A 88 19.874 0.675 -4.047 1.00 0.00 C ATOM 1315 O GLY A 88 20.788 0.168 -4.698 1.00 0.00 O ATOM 0 H GLY A 88 20.256 2.825 -2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 88 21.010 0.637 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 88 19.376 0.024 -2.070 1.00 0.00 H new ATOM 1319 N SER A 89 18.759 1.135 -4.603 1.00 0.00 N ATOM 1320 CA SER A 89 18.539 1.070 -6.044 1.00 0.00 C ATOM 1321 C SER A 89 18.624 2.457 -6.671 1.00 0.00 C ATOM 1322 O SER A 89 17.681 3.252 -6.478 1.00 0.00 O ATOM 1323 CB SER A 89 17.177 0.443 -6.344 1.00 0.00 C ATOM 1324 OG SER A 89 16.896 -0.623 -5.455 1.00 0.00 O ATOM 1325 OXT SER A 89 19.635 2.737 -7.350 1.00 0.00 O ATOM 0 H SER A 89 17.993 1.557 -4.078 1.00 0.00 H new ATOM 0 HA SER A 89 19.321 0.448 -6.479 1.00 0.00 H new ATOM 0 HB2 SER A 89 16.399 1.202 -6.263 1.00 0.00 H new ATOM 0 HB3 SER A 89 17.160 0.078 -7.371 1.00 0.00 H new ATOM 0 HG SER A 89 16.019 -1.004 -5.668 1.00 0.00 H new TER 1331 SER A 89