USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 777 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 3 THR OG1 : rot 180:sc= -1.05! USER MOD Set 1.2: A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -144:sc= 0.782 (180deg=-0.476!) USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -15:sc= 0.647 USER MOD Single : A 12 SER OG : rot 180:sc= -0.215 USER MOD Single : A 15 LYS NZ :NH3+ -161:sc=-0.00494 (180deg=-0.153) USER MOD Single : A 16 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0426) USER MOD Single : A 18 SER OG : rot -17:sc= 0.595 USER MOD Single : A 23 ASN : amide:sc= -2.38! K(o=-2.4!,f=-0.59) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.187 K(o=0.19,f=-1.3) USER MOD Single : A 29 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.44) USER MOD Single : A 32 TYR OH : rot 145:sc= -0.758 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= -1.79 (180deg=-3.66!) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 46 MET CE :methyl -115:sc=-0.00202 (180deg=-0.255) USER MOD Single : A 53 THR OG1 : rot 121:sc= 0.171! USER MOD Single : A 55 TYR OH : rot -97:sc= 0.427 USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= -0.0283 (180deg=-0.288) USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= -0.0587 (180deg=-0.567) USER MOD Single : A 60 GLN : amide:sc= -1.84 K(o=-1.8,f=-3.4!) USER MOD Single : A 64 ASN : amide:sc= -0.287 K(o=-0.29,f=-1) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.583 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -102:sc= 0.757 USER MOD Single : A 70 ASN : amide:sc= -2.49! C(o=-2.5!,f=-12!) USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0836) USER MOD Single : A 75 CYS SG : rot 180:sc= -2.62 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.3 K(o=-0.3,f=-1.1) USER MOD Single : A 82 LYS NZ :NH3+ -131:sc= 0.516 (180deg=-0.713) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot -36:sc= 0.83 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 57.094 -16.676 12.916 1.00 0.00 N ATOM 2 CA GLY A -3 57.660 -15.546 13.706 1.00 0.00 C ATOM 3 C GLY A -3 58.347 -14.560 12.768 1.00 0.00 C ATOM 4 O GLY A -3 57.700 -13.925 11.935 1.00 0.00 O ATOM 0 H1 GLY A -3 56.626 -17.348 13.557 1.00 0.00 H new ATOM 0 H2 GLY A -3 56.401 -16.309 12.233 1.00 0.00 H new ATOM 0 H3 GLY A -3 57.860 -17.161 12.406 1.00 0.00 H new ATOM 0 HA2 GLY A -3 56.867 -15.044 14.261 1.00 0.00 H new ATOM 0 HA3 GLY A -3 58.373 -15.923 14.439 1.00 0.00 H new ATOM 10 N SER A -2 59.664 -14.439 12.904 1.00 0.00 N ATOM 11 CA SER A -2 60.430 -13.527 12.062 1.00 0.00 C ATOM 12 C SER A -2 60.089 -12.077 12.390 1.00 0.00 C ATOM 13 O SER A -2 60.737 -11.152 11.904 1.00 0.00 O ATOM 14 CB SER A -2 60.131 -13.805 10.590 1.00 0.00 C ATOM 15 OG SER A -2 61.255 -13.432 9.803 1.00 0.00 O ATOM 0 H SER A -2 60.220 -14.957 13.584 1.00 0.00 H new ATOM 0 HA SER A -2 61.491 -13.688 12.254 1.00 0.00 H new ATOM 0 HB2 SER A -2 59.907 -14.862 10.446 1.00 0.00 H new ATOM 0 HB3 SER A -2 59.250 -13.246 10.274 1.00 0.00 H new ATOM 0 HG SER A -2 61.067 -13.611 8.858 1.00 0.00 H new ATOM 21 N HIS A -1 59.068 -11.890 13.219 1.00 0.00 N ATOM 22 CA HIS A -1 58.651 -10.551 13.616 1.00 0.00 C ATOM 23 C HIS A -1 59.769 -9.841 14.371 1.00 0.00 C ATOM 24 O HIS A -1 60.046 -8.668 14.131 1.00 0.00 O ATOM 25 CB HIS A -1 57.400 -10.625 14.493 1.00 0.00 C ATOM 26 CG HIS A -1 57.006 -9.239 14.921 1.00 0.00 C ATOM 27 ND1 HIS A -1 56.459 -8.318 14.039 1.00 0.00 N ATOM 28 CD2 HIS A -1 57.072 -8.600 16.135 1.00 0.00 C ATOM 29 CE1 HIS A -1 56.217 -7.188 14.729 1.00 0.00 C ATOM 30 NE2 HIS A -1 56.574 -7.306 16.011 1.00 0.00 N ATOM 0 H HIS A -1 58.516 -12.645 13.627 1.00 0.00 H new ATOM 0 HA HIS A -1 58.423 -9.983 12.714 1.00 0.00 H new ATOM 0 HB2 HIS A -1 56.584 -11.093 13.942 1.00 0.00 H new ATOM 0 HB3 HIS A -1 57.592 -11.247 15.368 1.00 0.00 H new ATOM 0 HD2 HIS A -1 57.452 -9.035 17.047 1.00 0.00 H new ATOM 0 HE1 HIS A -1 55.787 -6.295 14.299 1.00 0.00 H new ATOM 0 HE2 HIS A -1 56.498 -6.599 16.742 1.00 0.00 H new ATOM 38 N MET A 0 60.401 -10.561 15.294 1.00 0.00 N ATOM 39 CA MET A 0 61.483 -9.988 16.088 1.00 0.00 C ATOM 40 C MET A 0 62.399 -9.136 15.218 1.00 0.00 C ATOM 41 O MET A 0 63.083 -9.647 14.331 1.00 0.00 O ATOM 42 CB MET A 0 62.295 -11.105 16.746 1.00 0.00 C ATOM 43 CG MET A 0 62.909 -10.591 18.049 1.00 0.00 C ATOM 44 SD MET A 0 64.362 -11.586 18.466 1.00 0.00 S ATOM 45 CE MET A 0 63.490 -12.901 19.354 1.00 0.00 C ATOM 0 H MET A 0 60.185 -11.534 15.509 1.00 0.00 H new ATOM 0 HA MET A 0 61.044 -9.354 16.858 1.00 0.00 H new ATOM 0 HB2 MET A 0 61.655 -11.964 16.947 1.00 0.00 H new ATOM 0 HB3 MET A 0 63.080 -11.444 16.071 1.00 0.00 H new ATOM 0 HG2 MET A 0 63.191 -9.544 17.942 1.00 0.00 H new ATOM 0 HG3 MET A 0 62.176 -10.643 18.854 1.00 0.00 H new ATOM 0 HE1 MET A 0 64.209 -13.640 19.707 1.00 0.00 H new ATOM 0 HE2 MET A 0 62.959 -12.475 20.206 1.00 0.00 H new ATOM 0 HE3 MET A 0 62.776 -13.381 18.684 1.00 0.00 H new ATOM 55 N MET A 1 62.407 -7.832 15.477 1.00 0.00 N ATOM 56 CA MET A 1 63.243 -6.915 14.710 1.00 0.00 C ATOM 57 C MET A 1 63.487 -5.628 15.493 1.00 0.00 C ATOM 58 O MET A 1 62.728 -5.292 16.403 1.00 0.00 O ATOM 59 CB MET A 1 62.573 -6.587 13.373 1.00 0.00 C ATOM 60 CG MET A 1 61.258 -5.846 13.627 1.00 0.00 C ATOM 61 SD MET A 1 60.385 -5.615 12.059 1.00 0.00 S ATOM 62 CE MET A 1 58.948 -4.745 12.730 1.00 0.00 C ATOM 0 H MET A 1 61.848 -7.389 16.207 1.00 0.00 H new ATOM 0 HA MET A 1 64.202 -7.398 14.523 1.00 0.00 H new ATOM 0 HB2 MET A 1 63.236 -5.974 12.763 1.00 0.00 H new ATOM 0 HB3 MET A 1 62.384 -7.504 12.815 1.00 0.00 H new ATOM 0 HG2 MET A 1 60.637 -6.412 14.321 1.00 0.00 H new ATOM 0 HG3 MET A 1 61.456 -4.880 14.091 1.00 0.00 H new ATOM 0 HE1 MET A 1 58.261 -4.499 11.920 1.00 0.00 H new ATOM 0 HE2 MET A 1 58.442 -5.383 13.454 1.00 0.00 H new ATOM 0 HE3 MET A 1 59.274 -3.828 13.220 1.00 0.00 H new ATOM 72 N ALA A 2 64.547 -4.912 15.132 1.00 0.00 N ATOM 73 CA ALA A 2 64.876 -3.662 15.807 1.00 0.00 C ATOM 74 C ALA A 2 63.762 -2.651 15.607 1.00 0.00 C ATOM 75 O ALA A 2 63.221 -2.553 14.507 1.00 0.00 O ATOM 76 CB ALA A 2 66.180 -3.094 15.248 1.00 0.00 C ATOM 0 H ALA A 2 65.188 -5.173 14.383 1.00 0.00 H new ATOM 0 HA ALA A 2 64.994 -3.862 16.872 1.00 0.00 H new ATOM 0 HB1 ALA A 2 66.418 -2.160 15.758 1.00 0.00 H new ATOM 0 HB2 ALA A 2 66.986 -3.810 15.407 1.00 0.00 H new ATOM 0 HB3 ALA A 2 66.067 -2.906 14.180 1.00 0.00 H new ATOM 82 N THR A 3 63.438 -1.910 16.675 1.00 0.00 N ATOM 83 CA THR A 3 62.379 -0.901 16.625 1.00 0.00 C ATOM 84 C THR A 3 61.950 -0.630 15.189 1.00 0.00 C ATOM 85 O THR A 3 61.027 -1.264 14.680 1.00 0.00 O ATOM 86 CB THR A 3 62.864 0.400 17.264 1.00 0.00 C ATOM 87 OG1 THR A 3 62.252 1.501 16.606 1.00 0.00 O ATOM 88 CG2 THR A 3 64.383 0.502 17.131 1.00 0.00 C ATOM 0 H THR A 3 63.896 -1.993 17.583 1.00 0.00 H new ATOM 0 HA THR A 3 61.522 -1.284 17.179 1.00 0.00 H new ATOM 0 HB THR A 3 62.596 0.411 18.320 1.00 0.00 H new ATOM 0 HG1 THR A 3 62.559 2.338 17.014 1.00 0.00 H new ATOM 0 HG21 THR A 3 64.727 1.430 17.587 1.00 0.00 H new ATOM 0 HG22 THR A 3 64.850 -0.344 17.635 1.00 0.00 H new ATOM 0 HG23 THR A 3 64.657 0.493 16.076 1.00 0.00 H new ATOM 96 N SER A 4 62.645 0.293 14.534 1.00 0.00 N ATOM 97 CA SER A 4 62.340 0.625 13.147 1.00 0.00 C ATOM 98 C SER A 4 63.612 0.635 12.303 1.00 0.00 C ATOM 99 O SER A 4 63.734 1.414 11.357 1.00 0.00 O ATOM 100 CB SER A 4 61.665 1.991 13.077 1.00 0.00 C ATOM 101 OG SER A 4 60.480 1.966 13.862 1.00 0.00 O ATOM 0 H SER A 4 63.418 0.822 14.937 1.00 0.00 H new ATOM 0 HA SER A 4 61.665 -0.134 12.751 1.00 0.00 H new ATOM 0 HB2 SER A 4 62.342 2.764 13.442 1.00 0.00 H new ATOM 0 HB3 SER A 4 61.426 2.239 12.043 1.00 0.00 H new ATOM 0 HG SER A 4 60.043 2.842 13.822 1.00 0.00 H new ATOM 107 N ASP A 5 64.556 -0.231 12.655 1.00 0.00 N ATOM 108 CA ASP A 5 65.818 -0.309 11.922 1.00 0.00 C ATOM 109 C ASP A 5 66.198 -1.761 11.660 1.00 0.00 C ATOM 110 O ASP A 5 65.618 -2.676 12.244 1.00 0.00 O ATOM 111 CB ASP A 5 66.932 0.378 12.714 1.00 0.00 C ATOM 112 CG ASP A 5 66.965 1.873 12.397 1.00 0.00 C ATOM 113 OD1 ASP A 5 66.072 2.339 11.708 1.00 0.00 O ATOM 114 OD2 ASP A 5 67.894 2.529 12.839 1.00 0.00 O ATOM 0 H ASP A 5 64.475 -0.883 13.435 1.00 0.00 H new ATOM 0 HA ASP A 5 65.689 0.199 10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 5 66.773 0.229 13.782 1.00 0.00 H new ATOM 0 HB3 ASP A 5 67.893 -0.074 12.469 1.00 0.00 H new ATOM 119 N VAL A 6 67.173 -1.961 10.777 1.00 0.00 N ATOM 120 CA VAL A 6 67.625 -3.307 10.441 1.00 0.00 C ATOM 121 C VAL A 6 69.078 -3.500 10.850 1.00 0.00 C ATOM 122 O VAL A 6 69.949 -2.720 10.460 1.00 0.00 O ATOM 123 CB VAL A 6 67.482 -3.546 8.939 1.00 0.00 C ATOM 124 CG1 VAL A 6 67.999 -4.943 8.593 1.00 0.00 C ATOM 125 CG2 VAL A 6 66.005 -3.441 8.546 1.00 0.00 C ATOM 0 H VAL A 6 67.662 -1.213 10.285 1.00 0.00 H new ATOM 0 HA VAL A 6 67.007 -4.023 10.983 1.00 0.00 H new ATOM 0 HB VAL A 6 68.060 -2.798 8.396 1.00 0.00 H new ATOM 0 HG11 VAL A 6 67.897 -5.114 7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 6 69.049 -5.023 8.875 1.00 0.00 H new ATOM 0 HG13 VAL A 6 67.420 -5.690 9.136 1.00 0.00 H new ATOM 0 HG21 VAL A 6 65.901 -3.611 7.474 1.00 0.00 H new ATOM 0 HG22 VAL A 6 65.430 -4.190 9.090 1.00 0.00 H new ATOM 0 HG23 VAL A 6 65.632 -2.447 8.793 1.00 0.00 H new ATOM 135 N LYS A 7 69.331 -4.544 11.637 1.00 0.00 N ATOM 136 CA LYS A 7 70.686 -4.831 12.090 1.00 0.00 C ATOM 137 C LYS A 7 71.208 -6.113 11.444 1.00 0.00 C ATOM 138 O LYS A 7 70.437 -7.020 11.130 1.00 0.00 O ATOM 139 CB LYS A 7 70.713 -4.979 13.614 1.00 0.00 C ATOM 140 CG LYS A 7 70.397 -3.631 14.259 1.00 0.00 C ATOM 141 CD LYS A 7 70.418 -3.777 15.781 1.00 0.00 C ATOM 142 CE LYS A 7 70.085 -2.432 16.428 1.00 0.00 C ATOM 143 NZ LYS A 7 70.095 -2.578 17.911 1.00 0.00 N ATOM 0 H LYS A 7 68.622 -5.198 11.970 1.00 0.00 H new ATOM 0 HA LYS A 7 71.327 -4.000 11.796 1.00 0.00 H new ATOM 0 HB2 LYS A 7 69.985 -5.726 13.931 1.00 0.00 H new ATOM 0 HB3 LYS A 7 71.692 -5.330 13.939 1.00 0.00 H new ATOM 0 HG2 LYS A 7 71.127 -2.885 13.944 1.00 0.00 H new ATOM 0 HG3 LYS A 7 69.419 -3.279 13.930 1.00 0.00 H new ATOM 0 HD2 LYS A 7 69.697 -4.532 16.094 1.00 0.00 H new ATOM 0 HD3 LYS A 7 71.399 -4.118 16.111 1.00 0.00 H new ATOM 0 HE2 LYS A 7 70.811 -1.679 16.121 1.00 0.00 H new ATOM 0 HE3 LYS A 7 69.107 -2.087 16.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 69.869 -1.663 18.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 69.386 -3.284 18.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 71.037 -2.889 18.223 1.00 0.00 H new ATOM 157 N PRO A 8 72.497 -6.204 11.246 1.00 0.00 N ATOM 158 CA PRO A 8 73.135 -7.402 10.626 1.00 0.00 C ATOM 159 C PRO A 8 72.993 -8.645 11.497 1.00 0.00 C ATOM 160 O PRO A 8 73.108 -8.575 12.720 1.00 0.00 O ATOM 161 CB PRO A 8 74.605 -6.999 10.489 1.00 0.00 C ATOM 162 CG PRO A 8 74.818 -5.902 11.472 1.00 0.00 C ATOM 163 CD PRO A 8 73.489 -5.175 11.586 1.00 0.00 C ATOM 0 HA PRO A 8 72.670 -7.667 9.677 1.00 0.00 H new ATOM 0 HB2 PRO A 8 75.263 -7.843 10.696 1.00 0.00 H new ATOM 0 HB3 PRO A 8 74.826 -6.664 9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 8 75.129 -6.299 12.438 1.00 0.00 H new ATOM 0 HG3 PRO A 8 75.605 -5.226 11.137 1.00 0.00 H new ATOM 0 HD2 PRO A 8 73.332 -4.784 12.591 1.00 0.00 H new ATOM 0 HD3 PRO A 8 73.437 -4.327 10.903 1.00 0.00 H new ATOM 171 N LYS A 9 72.745 -9.783 10.856 1.00 0.00 N ATOM 172 CA LYS A 9 72.592 -11.039 11.583 1.00 0.00 C ATOM 173 C LYS A 9 73.840 -11.901 11.434 1.00 0.00 C ATOM 174 O LYS A 9 74.121 -12.753 12.277 1.00 0.00 O ATOM 175 CB LYS A 9 71.377 -11.803 11.052 1.00 0.00 C ATOM 176 CG LYS A 9 70.175 -11.556 11.966 1.00 0.00 C ATOM 177 CD LYS A 9 69.884 -10.055 12.030 1.00 0.00 C ATOM 178 CE LYS A 9 68.372 -9.826 11.994 1.00 0.00 C ATOM 179 NZ LYS A 9 67.837 -10.248 10.668 1.00 0.00 N ATOM 0 H LYS A 9 72.646 -9.862 9.844 1.00 0.00 H new ATOM 0 HA LYS A 9 72.447 -10.810 12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 9 71.147 -11.480 10.037 1.00 0.00 H new ATOM 0 HB3 LYS A 9 71.598 -12.869 11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 9 69.303 -12.091 11.590 1.00 0.00 H new ATOM 0 HG3 LYS A 9 70.379 -11.941 12.965 1.00 0.00 H new ATOM 0 HD2 LYS A 9 70.305 -9.631 12.941 1.00 0.00 H new ATOM 0 HD3 LYS A 9 70.360 -9.546 11.192 1.00 0.00 H new ATOM 0 HE2 LYS A 9 67.889 -10.392 12.790 1.00 0.00 H new ATOM 0 HE3 LYS A 9 68.148 -8.774 12.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 67.067 -9.609 10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 68.597 -10.210 9.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 67.473 -11.220 10.734 1.00 0.00 H new ATOM 193 N SER A 10 74.584 -11.677 10.355 1.00 0.00 N ATOM 194 CA SER A 10 75.801 -12.439 10.107 1.00 0.00 C ATOM 195 C SER A 10 76.620 -11.797 8.992 1.00 0.00 C ATOM 196 O SER A 10 76.187 -10.830 8.366 1.00 0.00 O ATOM 197 CB SER A 10 75.449 -13.878 9.724 1.00 0.00 C ATOM 198 OG SER A 10 74.859 -14.529 10.840 1.00 0.00 O ATOM 0 H SER A 10 74.367 -10.979 9.644 1.00 0.00 H new ATOM 0 HA SER A 10 76.396 -12.443 11.020 1.00 0.00 H new ATOM 0 HB2 SER A 10 74.760 -13.884 8.879 1.00 0.00 H new ATOM 0 HB3 SER A 10 76.345 -14.412 9.408 1.00 0.00 H new ATOM 0 HG SER A 10 75.023 -14.003 11.650 1.00 0.00 H new ATOM 204 N ILE A 11 77.808 -12.342 8.752 1.00 0.00 N ATOM 205 CA ILE A 11 78.683 -11.827 7.706 1.00 0.00 C ATOM 206 C ILE A 11 79.284 -12.967 6.894 1.00 0.00 C ATOM 207 O ILE A 11 79.751 -13.956 7.456 1.00 0.00 O ATOM 208 CB ILE A 11 79.793 -10.975 8.318 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.178 -9.779 9.056 1.00 0.00 C ATOM 210 CG2 ILE A 11 80.724 -10.471 7.214 1.00 0.00 C ATOM 211 CD1 ILE A 11 79.082 -10.096 10.549 1.00 0.00 C ATOM 0 H ILE A 11 78.186 -13.138 9.266 1.00 0.00 H new ATOM 0 HA ILE A 11 78.087 -11.205 7.037 1.00 0.00 H new ATOM 0 HB ILE A 11 80.363 -11.581 9.023 1.00 0.00 H new ATOM 0 HG12 ILE A 11 79.788 -8.889 8.901 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.188 -9.561 8.655 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.515 -9.863 7.654 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.166 -11.321 6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.155 -9.869 6.505 1.00 0.00 H new ATOM 0 HD11 ILE A 11 78.645 -9.247 11.074 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.454 -10.975 10.695 1.00 0.00 H new ATOM 0 HD13 ILE A 11 80.079 -10.293 10.944 1.00 0.00 H new ATOM 223 N SER A 12 79.275 -12.818 5.572 1.00 0.00 N ATOM 224 CA SER A 12 79.818 -13.838 4.684 1.00 0.00 C ATOM 225 C SER A 12 81.027 -13.298 3.929 1.00 0.00 C ATOM 226 O SER A 12 81.404 -12.139 4.097 1.00 0.00 O ATOM 227 CB SER A 12 78.755 -14.296 3.690 1.00 0.00 C ATOM 228 OG SER A 12 79.243 -15.421 2.971 1.00 0.00 O ATOM 0 H SER A 12 78.897 -12.000 5.093 1.00 0.00 H new ATOM 0 HA SER A 12 80.130 -14.689 5.290 1.00 0.00 H new ATOM 0 HB2 SER A 12 77.836 -14.556 4.216 1.00 0.00 H new ATOM 0 HB3 SER A 12 78.511 -13.487 3.002 1.00 0.00 H new ATOM 0 HG SER A 12 78.563 -15.721 2.332 1.00 0.00 H new ATOM 234 N ARG A 13 81.631 -14.147 3.106 1.00 0.00 N ATOM 235 CA ARG A 13 82.800 -13.747 2.332 1.00 0.00 C ATOM 236 C ARG A 13 82.465 -13.679 0.849 1.00 0.00 C ATOM 237 O ARG A 13 81.940 -14.632 0.275 1.00 0.00 O ATOM 238 CB ARG A 13 83.939 -14.752 2.550 1.00 0.00 C ATOM 239 CG ARG A 13 84.543 -14.564 3.950 1.00 0.00 C ATOM 240 CD ARG A 13 83.745 -15.382 4.969 1.00 0.00 C ATOM 241 NE ARG A 13 83.700 -14.685 6.247 1.00 0.00 N ATOM 242 CZ ARG A 13 82.713 -14.899 7.109 1.00 0.00 C ATOM 243 NH1 ARG A 13 81.761 -15.745 6.819 1.00 0.00 N ATOM 244 NH2 ARG A 13 82.693 -14.262 8.249 1.00 0.00 N ATOM 0 H ARG A 13 81.333 -15.111 2.958 1.00 0.00 H new ATOM 0 HA ARG A 13 83.113 -12.759 2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.564 -15.769 2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.709 -14.613 1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 13 85.586 -14.880 3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 13 84.529 -13.509 4.224 1.00 0.00 H new ATOM 0 HD2 ARG A 13 82.733 -15.548 4.601 1.00 0.00 H new ATOM 0 HD3 ARG A 13 84.202 -16.363 5.097 1.00 0.00 H new ATOM 0 HE ARG A 13 84.438 -14.022 6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 13 81.775 -16.243 5.929 1.00 0.00 H new ATOM 0 HH12 ARG A 13 81.004 -15.908 7.483 1.00 0.00 H new ATOM 0 HH21 ARG A 13 83.435 -13.601 8.477 1.00 0.00 H new ATOM 0 HH22 ARG A 13 81.935 -14.426 8.912 1.00 0.00 H new ATOM 258 N ALA A 14 82.775 -12.543 0.235 1.00 0.00 N ATOM 259 CA ALA A 14 82.505 -12.355 -1.183 1.00 0.00 C ATOM 260 C ALA A 14 83.316 -13.339 -2.017 1.00 0.00 C ATOM 261 O ALA A 14 84.442 -13.688 -1.656 1.00 0.00 O ATOM 262 CB ALA A 14 82.857 -10.925 -1.597 1.00 0.00 C ATOM 0 H ALA A 14 83.211 -11.743 0.695 1.00 0.00 H new ATOM 0 HA ALA A 14 81.444 -12.534 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.652 -10.793 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 14 82.256 -10.221 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 14 83.914 -10.741 -1.406 1.00 0.00 H new ATOM 268 N LYS A 15 82.746 -13.777 -3.139 1.00 0.00 N ATOM 269 CA LYS A 15 83.432 -14.714 -4.022 1.00 0.00 C ATOM 270 C LYS A 15 83.963 -13.987 -5.246 1.00 0.00 C ATOM 271 O LYS A 15 85.083 -14.243 -5.687 1.00 0.00 O ATOM 272 CB LYS A 15 82.478 -15.822 -4.456 1.00 0.00 C ATOM 273 CG LYS A 15 82.476 -16.925 -3.400 1.00 0.00 C ATOM 274 CD LYS A 15 83.617 -17.904 -3.684 1.00 0.00 C ATOM 275 CE LYS A 15 84.092 -18.531 -2.372 1.00 0.00 C ATOM 276 NZ LYS A 15 84.925 -17.546 -1.627 1.00 0.00 N ATOM 0 H LYS A 15 81.817 -13.499 -3.455 1.00 0.00 H new ATOM 0 HA LYS A 15 84.268 -15.156 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.472 -15.423 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 15 82.786 -16.226 -5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 15 82.592 -16.492 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 15 81.521 -17.450 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 15 83.281 -18.682 -4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 15 84.443 -17.385 -4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 15 83.235 -18.830 -1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 15 84.670 -19.433 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 85.503 -18.044 -0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 85.547 -17.044 -2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 84.307 -16.861 -1.147 1.00 0.00 H new ATOM 290 N LYS A 16 83.160 -13.064 -5.779 1.00 0.00 N ATOM 291 CA LYS A 16 83.572 -12.288 -6.938 1.00 0.00 C ATOM 292 C LYS A 16 83.445 -10.788 -6.641 1.00 0.00 C ATOM 293 O LYS A 16 82.931 -10.398 -5.606 1.00 0.00 O ATOM 294 CB LYS A 16 82.734 -12.681 -8.167 1.00 0.00 C ATOM 295 CG LYS A 16 82.747 -11.563 -9.225 1.00 0.00 C ATOM 296 CD LYS A 16 84.150 -11.432 -9.832 1.00 0.00 C ATOM 297 CE LYS A 16 84.231 -12.288 -11.079 1.00 0.00 C ATOM 298 NZ LYS A 16 83.598 -11.557 -12.206 1.00 0.00 N ATOM 0 H LYS A 16 82.229 -12.841 -5.426 1.00 0.00 H new ATOM 0 HA LYS A 16 84.617 -12.504 -7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 16 83.127 -13.601 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 16 81.708 -12.885 -7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 16 82.022 -11.784 -10.008 1.00 0.00 H new ATOM 0 HG3 LYS A 16 82.448 -10.618 -8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 16 84.358 -10.390 -10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 16 84.903 -11.747 -9.110 1.00 0.00 H new ATOM 0 HE2 LYS A 16 85.271 -12.515 -11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 16 83.726 -13.240 -10.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 83.160 -12.238 -12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 82.869 -10.914 -11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 84.321 -11.007 -12.713 1.00 0.00 H new ATOM 312 N TRP A 17 83.886 -9.968 -7.589 1.00 0.00 N ATOM 313 CA TRP A 17 83.809 -8.516 -7.471 1.00 0.00 C ATOM 314 C TRP A 17 82.566 -7.971 -8.167 1.00 0.00 C ATOM 315 O TRP A 17 82.273 -8.323 -9.311 1.00 0.00 O ATOM 316 CB TRP A 17 85.057 -7.878 -8.074 1.00 0.00 C ATOM 317 CG TRP A 17 84.847 -6.406 -8.187 1.00 0.00 C ATOM 318 CD1 TRP A 17 85.009 -5.517 -7.180 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.439 -5.632 -9.352 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.727 -4.250 -7.653 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.372 -4.269 -8.988 1.00 0.00 C ATOM 322 CE3 TRP A 17 84.124 -5.979 -10.681 1.00 0.00 C ATOM 323 CZ2 TRP A 17 84.004 -3.284 -9.907 1.00 0.00 C ATOM 324 CZ3 TRP A 17 83.755 -4.990 -11.607 1.00 0.00 C ATOM 325 CH2 TRP A 17 83.695 -3.645 -11.218 1.00 0.00 C ATOM 0 H TRP A 17 84.307 -10.291 -8.460 1.00 0.00 H new ATOM 0 HA TRP A 17 83.746 -8.266 -6.412 1.00 0.00 H new ATOM 0 HB2 TRP A 17 85.925 -8.087 -7.449 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.261 -8.305 -9.056 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.310 -5.758 -6.171 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.775 -3.404 -7.086 1.00 0.00 H new ATOM 0 HE3 TRP A 17 84.167 -7.013 -10.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 83.959 -2.248 -9.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 83.516 -5.267 -12.623 1.00 0.00 H new ATOM 0 HH2 TRP A 17 83.409 -2.888 -11.934 1.00 0.00 H new ATOM 336 N SER A 18 81.841 -7.108 -7.466 1.00 0.00 N ATOM 337 CA SER A 18 80.634 -6.506 -8.018 1.00 0.00 C ATOM 338 C SER A 18 80.272 -5.231 -7.263 1.00 0.00 C ATOM 339 O SER A 18 80.708 -5.025 -6.130 1.00 0.00 O ATOM 340 CB SER A 18 79.474 -7.496 -7.934 1.00 0.00 C ATOM 341 OG SER A 18 79.811 -8.674 -8.652 1.00 0.00 O ATOM 0 H SER A 18 82.067 -6.810 -6.517 1.00 0.00 H new ATOM 0 HA SER A 18 80.823 -6.253 -9.061 1.00 0.00 H new ATOM 0 HB2 SER A 18 79.262 -7.739 -6.893 1.00 0.00 H new ATOM 0 HB3 SER A 18 78.569 -7.050 -8.348 1.00 0.00 H new ATOM 0 HG SER A 18 80.561 -8.487 -9.254 1.00 0.00 H new ATOM 347 N GLU A 19 79.471 -4.381 -7.897 1.00 0.00 N ATOM 348 CA GLU A 19 79.058 -3.131 -7.270 1.00 0.00 C ATOM 349 C GLU A 19 78.662 -3.375 -5.819 1.00 0.00 C ATOM 350 O GLU A 19 78.791 -2.488 -4.974 1.00 0.00 O ATOM 351 CB GLU A 19 77.870 -2.538 -8.034 1.00 0.00 C ATOM 352 CG GLU A 19 76.717 -3.544 -8.046 1.00 0.00 C ATOM 353 CD GLU A 19 75.549 -2.991 -8.857 1.00 0.00 C ATOM 354 OE1 GLU A 19 75.730 -1.967 -9.495 1.00 0.00 O ATOM 355 OE2 GLU A 19 74.491 -3.598 -8.824 1.00 0.00 O ATOM 0 H GLU A 19 79.098 -4.532 -8.834 1.00 0.00 H new ATOM 0 HA GLU A 19 79.893 -2.431 -7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 19 77.550 -1.608 -7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 19 78.165 -2.295 -9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 19 77.052 -4.489 -8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.395 -3.753 -7.026 1.00 0.00 H new ATOM 362 N GLU A 20 78.191 -4.584 -5.533 1.00 0.00 N ATOM 363 CA GLU A 20 77.799 -4.929 -4.175 1.00 0.00 C ATOM 364 C GLU A 20 79.026 -4.990 -3.266 1.00 0.00 C ATOM 365 O GLU A 20 79.003 -4.488 -2.148 1.00 0.00 O ATOM 366 CB GLU A 20 77.085 -6.285 -4.166 1.00 0.00 C ATOM 367 CG GLU A 20 76.589 -6.603 -2.751 1.00 0.00 C ATOM 368 CD GLU A 20 75.563 -5.563 -2.313 1.00 0.00 C ATOM 369 OE1 GLU A 20 75.968 -4.564 -1.744 1.00 0.00 O ATOM 370 OE2 GLU A 20 74.387 -5.781 -2.556 1.00 0.00 O ATOM 0 H GLU A 20 78.073 -5.333 -6.216 1.00 0.00 H new ATOM 0 HA GLU A 20 77.121 -4.161 -3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 20 76.245 -6.268 -4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 20 77.765 -7.066 -4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 20 76.144 -7.598 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 20 77.429 -6.613 -2.056 1.00 0.00 H new ATOM 377 N ILE A 21 80.093 -5.613 -3.758 1.00 0.00 N ATOM 378 CA ILE A 21 81.316 -5.740 -2.968 1.00 0.00 C ATOM 379 C ILE A 21 82.014 -4.393 -2.875 1.00 0.00 C ATOM 380 O ILE A 21 82.210 -3.866 -1.781 1.00 0.00 O ATOM 381 CB ILE A 21 82.247 -6.766 -3.612 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.429 -7.982 -4.050 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.315 -7.206 -2.606 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.519 -8.436 -2.910 1.00 0.00 C ATOM 0 H ILE A 21 80.138 -6.033 -4.687 1.00 0.00 H new ATOM 0 HA ILE A 21 81.058 -6.076 -1.964 1.00 0.00 H new ATOM 0 HB ILE A 21 82.735 -6.317 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.831 -7.732 -4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 21 82.096 -8.794 -4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.975 -7.937 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.898 -6.340 -2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.834 -7.654 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.940 -9.302 -3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 21 81.126 -8.704 -2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.841 -7.626 -2.641 1.00 0.00 H new ATOM 396 N GLU A 22 82.403 -3.849 -4.026 1.00 0.00 N ATOM 397 CA GLU A 22 83.076 -2.565 -4.052 1.00 0.00 C ATOM 398 C GLU A 22 82.449 -1.612 -3.046 1.00 0.00 C ATOM 399 O GLU A 22 83.144 -1.005 -2.236 1.00 0.00 O ATOM 400 CB GLU A 22 82.974 -1.960 -5.459 1.00 0.00 C ATOM 401 CG GLU A 22 83.093 -0.434 -5.383 1.00 0.00 C ATOM 402 CD GLU A 22 81.728 0.193 -5.111 1.00 0.00 C ATOM 403 OE1 GLU A 22 80.745 -0.322 -5.616 1.00 0.00 O ATOM 404 OE2 GLU A 22 81.688 1.181 -4.397 1.00 0.00 O ATOM 0 H GLU A 22 82.263 -4.277 -4.941 1.00 0.00 H new ATOM 0 HA GLU A 22 84.123 -2.715 -3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.762 -2.363 -6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 22 82.023 -2.237 -5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 22 83.792 -0.156 -4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 22 83.498 -0.047 -6.318 1.00 0.00 H new ATOM 411 N ASN A 23 81.131 -1.481 -3.110 1.00 0.00 N ATOM 412 CA ASN A 23 80.424 -0.584 -2.204 1.00 0.00 C ATOM 413 C ASN A 23 80.682 -0.960 -0.751 1.00 0.00 C ATOM 414 O ASN A 23 81.037 -0.106 0.062 1.00 0.00 O ATOM 415 CB ASN A 23 78.920 -0.663 -2.464 1.00 0.00 C ATOM 416 CG ASN A 23 78.160 0.057 -1.354 1.00 0.00 C ATOM 417 OD1 ASN A 23 77.733 1.202 -1.523 1.00 0.00 O ATOM 418 ND2 ASN A 23 77.976 -0.555 -0.221 1.00 0.00 N ATOM 0 H ASN A 23 80.535 -1.978 -3.772 1.00 0.00 H new ATOM 0 HA ASN A 23 80.789 0.427 -2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.685 -0.212 -3.428 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.606 -1.705 -2.514 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.476 -0.088 0.535 1.00 0.00 H new ATOM 0 HD22 ASN A 23 78.332 -1.502 -0.089 1.00 0.00 H new ATOM 425 N LEU A 24 80.515 -2.241 -0.424 1.00 0.00 N ATOM 426 CA LEU A 24 80.729 -2.694 0.941 1.00 0.00 C ATOM 427 C LEU A 24 82.136 -2.369 1.392 1.00 0.00 C ATOM 428 O LEU A 24 82.333 -1.933 2.520 1.00 0.00 O ATOM 429 CB LEU A 24 80.489 -4.196 1.033 1.00 0.00 C ATOM 430 CG LEU A 24 78.986 -4.480 0.934 1.00 0.00 C ATOM 431 CD1 LEU A 24 78.751 -5.982 0.841 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.271 -3.937 2.176 1.00 0.00 C ATOM 0 H LEU A 24 80.236 -2.971 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 24 80.025 -2.177 1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 24 81.021 -4.710 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.882 -4.581 1.974 1.00 0.00 H new ATOM 0 HG LEU A 24 78.592 -3.991 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.681 -6.179 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.251 -6.374 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 24 79.152 -6.469 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.203 -4.142 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.671 -4.421 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.430 -2.861 2.246 1.00 0.00 H new ATOM 444 N TYR A 25 83.110 -2.555 0.514 1.00 0.00 N ATOM 445 CA TYR A 25 84.487 -2.235 0.850 1.00 0.00 C ATOM 446 C TYR A 25 84.604 -0.760 1.212 1.00 0.00 C ATOM 447 O TYR A 25 85.183 -0.409 2.236 1.00 0.00 O ATOM 448 CB TYR A 25 85.387 -2.546 -0.348 1.00 0.00 C ATOM 449 CG TYR A 25 86.759 -1.959 -0.116 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.581 -2.470 0.892 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.208 -0.899 -0.917 1.00 0.00 C ATOM 452 CE1 TYR A 25 88.852 -1.922 1.104 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.479 -0.353 -0.707 1.00 0.00 C ATOM 454 CZ TYR A 25 89.301 -0.864 0.305 1.00 0.00 C ATOM 455 OH TYR A 25 90.553 -0.324 0.514 1.00 0.00 O ATOM 0 H TYR A 25 82.974 -2.922 -0.428 1.00 0.00 H new ATOM 0 HA TYR A 25 84.798 -2.835 1.705 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.461 -3.624 -0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 25 84.953 -2.133 -1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.236 -3.288 1.508 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.573 -0.504 -1.696 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.486 -2.316 1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.826 0.462 -1.325 1.00 0.00 H new ATOM 0 HH TYR A 25 90.708 0.401 -0.127 1.00 0.00 H new ATOM 465 N ARG A 26 84.049 0.103 0.363 1.00 0.00 N ATOM 466 CA ARG A 26 84.110 1.540 0.616 1.00 0.00 C ATOM 467 C ARG A 26 83.398 1.870 1.923 1.00 0.00 C ATOM 468 O ARG A 26 83.926 2.604 2.759 1.00 0.00 O ATOM 469 CB ARG A 26 83.437 2.294 -0.533 1.00 0.00 C ATOM 470 CG ARG A 26 84.244 2.098 -1.817 1.00 0.00 C ATOM 471 CD ARG A 26 83.705 3.022 -2.909 1.00 0.00 C ATOM 472 NE ARG A 26 84.391 2.763 -4.169 1.00 0.00 N ATOM 473 CZ ARG A 26 84.262 3.589 -5.202 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.520 4.658 -5.093 1.00 0.00 N ATOM 475 NH2 ARG A 26 84.879 3.333 -6.323 1.00 0.00 N ATOM 0 H ARG A 26 83.560 -0.162 -0.492 1.00 0.00 H new ATOM 0 HA ARG A 26 85.155 1.843 0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.419 1.931 -0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.367 3.355 -0.294 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.297 2.312 -1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.182 1.060 -2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.633 2.867 -3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 26 83.845 4.063 -2.617 1.00 0.00 H new ATOM 0 HE ARG A 26 84.979 1.935 -4.259 1.00 0.00 H new ATOM 0 HH11 ARG A 26 83.040 4.858 -4.216 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.420 5.293 -5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.460 2.499 -6.406 1.00 0.00 H new ATOM 0 HH22 ARG A 26 84.780 3.967 -7.116 1.00 0.00 H new ATOM 489 N PHE A 27 82.195 1.324 2.102 1.00 0.00 N ATOM 490 CA PHE A 27 81.432 1.570 3.323 1.00 0.00 C ATOM 491 C PHE A 27 82.192 1.058 4.542 1.00 0.00 C ATOM 492 O PHE A 27 82.375 1.780 5.520 1.00 0.00 O ATOM 493 CB PHE A 27 80.075 0.870 3.224 1.00 0.00 C ATOM 494 CG PHE A 27 79.073 1.797 2.589 1.00 0.00 C ATOM 495 CD1 PHE A 27 79.259 2.239 1.275 1.00 0.00 C ATOM 496 CD2 PHE A 27 77.952 2.208 3.311 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.325 3.096 0.685 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.025 3.060 2.723 1.00 0.00 C ATOM 499 CZ PHE A 27 77.205 3.507 1.411 1.00 0.00 C ATOM 0 H PHE A 27 81.733 0.716 1.426 1.00 0.00 H new ATOM 0 HA PHE A 27 81.283 2.644 3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 27 80.167 -0.042 2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.734 0.574 4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 27 80.125 1.918 0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 27 77.805 1.865 4.324 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.469 3.439 -0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 27 76.159 3.379 3.284 1.00 0.00 H new ATOM 0 HZ PHE A 27 76.480 4.168 0.960 1.00 0.00 H new ATOM 509 N GLN A 28 82.642 -0.193 4.470 1.00 0.00 N ATOM 510 CA GLN A 28 83.377 -0.795 5.577 1.00 0.00 C ATOM 511 C GLN A 28 84.600 0.050 5.907 1.00 0.00 C ATOM 512 O GLN A 28 84.893 0.292 7.076 1.00 0.00 O ATOM 513 CB GLN A 28 83.828 -2.208 5.192 1.00 0.00 C ATOM 514 CG GLN A 28 82.626 -3.154 5.208 1.00 0.00 C ATOM 515 CD GLN A 28 82.997 -4.478 4.545 1.00 0.00 C ATOM 516 OE1 GLN A 28 84.162 -4.874 4.552 1.00 0.00 O ATOM 517 NE2 GLN A 28 82.068 -5.185 3.963 1.00 0.00 N ATOM 0 H GLN A 28 82.512 -0.804 3.664 1.00 0.00 H new ATOM 0 HA GLN A 28 82.725 -0.845 6.449 1.00 0.00 H new ATOM 0 HB2 GLN A 28 84.282 -2.198 4.201 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.589 -2.560 5.888 1.00 0.00 H new ATOM 0 HG2 GLN A 28 82.304 -3.329 6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.786 -2.698 4.684 1.00 0.00 H new ATOM 0 HE21 GLN A 28 81.103 -4.854 3.959 1.00 0.00 H new ATOM 0 HE22 GLN A 28 82.307 -6.068 3.512 1.00 0.00 H new ATOM 526 N GLN A 29 85.288 0.526 4.877 1.00 0.00 N ATOM 527 CA GLN A 29 86.458 1.374 5.082 1.00 0.00 C ATOM 528 C GLN A 29 86.068 2.654 5.815 1.00 0.00 C ATOM 529 O GLN A 29 86.795 3.127 6.687 1.00 0.00 O ATOM 530 CB GLN A 29 87.093 1.718 3.735 1.00 0.00 C ATOM 531 CG GLN A 29 87.851 0.501 3.198 1.00 0.00 C ATOM 532 CD GLN A 29 89.131 0.295 4.002 1.00 0.00 C ATOM 533 OE1 GLN A 29 89.914 1.230 4.170 1.00 0.00 O ATOM 534 NE2 GLN A 29 89.392 -0.877 4.508 1.00 0.00 N ATOM 0 H GLN A 29 85.060 0.342 3.900 1.00 0.00 H new ATOM 0 HA GLN A 29 87.180 0.830 5.691 1.00 0.00 H new ATOM 0 HB2 GLN A 29 86.323 2.021 3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 29 87.773 2.562 3.847 1.00 0.00 H new ATOM 0 HG2 GLN A 29 87.223 -0.388 3.262 1.00 0.00 H new ATOM 0 HG3 GLN A 29 88.091 0.646 2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 29 88.741 -1.650 4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 29 90.247 -1.022 5.045 1.00 0.00 H new ATOM 543 N ALA A 30 84.914 3.208 5.454 1.00 0.00 N ATOM 544 CA ALA A 30 84.432 4.428 6.090 1.00 0.00 C ATOM 545 C ALA A 30 83.917 4.127 7.494 1.00 0.00 C ATOM 546 O ALA A 30 83.738 5.032 8.307 1.00 0.00 O ATOM 547 CB ALA A 30 83.320 5.058 5.251 1.00 0.00 C ATOM 0 H ALA A 30 84.300 2.834 4.730 1.00 0.00 H new ATOM 0 HA ALA A 30 85.262 5.131 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 30 82.969 5.968 5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.705 5.301 4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.493 4.355 5.157 1.00 0.00 H new ATOM 553 N GLY A 31 83.673 2.850 7.768 1.00 0.00 N ATOM 554 CA GLY A 31 83.174 2.439 9.076 1.00 0.00 C ATOM 555 C GLY A 31 81.682 2.132 9.035 1.00 0.00 C ATOM 556 O GLY A 31 81.062 1.895 10.071 1.00 0.00 O ATOM 0 H GLY A 31 83.811 2.086 7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.719 1.557 9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.364 3.228 9.803 1.00 0.00 H new ATOM 560 N TYR A 32 81.116 2.133 7.835 1.00 0.00 N ATOM 561 CA TYR A 32 79.693 1.850 7.670 1.00 0.00 C ATOM 562 C TYR A 32 79.492 0.486 7.029 1.00 0.00 C ATOM 563 O TYR A 32 80.346 0.007 6.289 1.00 0.00 O ATOM 564 CB TYR A 32 79.047 2.926 6.790 1.00 0.00 C ATOM 565 CG TYR A 32 79.358 4.301 7.342 1.00 0.00 C ATOM 566 CD1 TYR A 32 79.342 4.538 8.727 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.674 5.347 6.463 1.00 0.00 C ATOM 568 CE1 TYR A 32 79.639 5.805 9.224 1.00 0.00 C ATOM 569 CE2 TYR A 32 79.972 6.617 6.968 1.00 0.00 C ATOM 570 CZ TYR A 32 79.956 6.845 8.350 1.00 0.00 C ATOM 571 OH TYR A 32 80.250 8.094 8.850 1.00 0.00 O ATOM 0 H TYR A 32 81.615 2.325 6.966 1.00 0.00 H new ATOM 0 HA TYR A 32 79.224 1.851 8.654 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.418 2.843 5.768 1.00 0.00 H new ATOM 0 HB3 TYR A 32 77.968 2.776 6.751 1.00 0.00 H new ATOM 0 HD1 TYR A 32 79.099 3.736 9.408 1.00 0.00 H new ATOM 0 HD2 TYR A 32 79.687 5.172 5.397 1.00 0.00 H new ATOM 0 HE1 TYR A 32 79.624 5.983 10.289 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.215 7.423 6.291 1.00 0.00 H new ATOM 0 HH TYR A 32 80.943 8.513 8.298 1.00 0.00 H new ATOM 581 N ARG A 33 78.361 -0.138 7.342 1.00 0.00 N ATOM 582 CA ARG A 33 78.051 -1.449 6.789 1.00 0.00 C ATOM 583 C ARG A 33 77.352 -1.298 5.441 1.00 0.00 C ATOM 584 O ARG A 33 77.598 -2.066 4.512 1.00 0.00 O ATOM 585 CB ARG A 33 77.159 -2.235 7.750 1.00 0.00 C ATOM 586 CG ARG A 33 76.136 -1.294 8.381 1.00 0.00 C ATOM 587 CD ARG A 33 76.640 -0.836 9.752 1.00 0.00 C ATOM 588 NE ARG A 33 76.754 -1.979 10.650 1.00 0.00 N ATOM 589 CZ ARG A 33 77.312 -1.857 11.850 1.00 0.00 C ATOM 590 NH1 ARG A 33 77.768 -0.699 12.242 1.00 0.00 N ATOM 591 NH2 ARG A 33 77.405 -2.894 12.635 1.00 0.00 N ATOM 0 H ARG A 33 77.651 0.239 7.970 1.00 0.00 H new ATOM 0 HA ARG A 33 78.984 -1.995 6.648 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.650 -3.037 7.216 1.00 0.00 H new ATOM 0 HB3 ARG A 33 77.765 -2.703 8.526 1.00 0.00 H new ATOM 0 HG2 ARG A 33 75.973 -0.431 7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 33 75.176 -1.800 8.485 1.00 0.00 H new ATOM 0 HD2 ARG A 33 77.609 -0.347 9.648 1.00 0.00 H new ATOM 0 HD3 ARG A 33 75.955 -0.100 10.173 1.00 0.00 H new ATOM 0 HE ARG A 33 76.399 -2.888 10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 33 77.696 0.112 11.628 1.00 0.00 H new ATOM 0 HH12 ARG A 33 78.196 -0.605 13.163 1.00 0.00 H new ATOM 0 HH21 ARG A 33 77.049 -3.799 12.328 1.00 0.00 H new ATOM 0 HH22 ARG A 33 77.833 -2.800 13.556 1.00 0.00 H new ATOM 605 N ASP A 34 76.469 -0.304 5.343 1.00 0.00 N ATOM 606 CA ASP A 34 75.734 -0.058 4.110 1.00 0.00 C ATOM 607 C ASP A 34 74.974 1.263 4.195 1.00 0.00 C ATOM 608 O ASP A 34 75.030 1.957 5.212 1.00 0.00 O ATOM 609 CB ASP A 34 74.750 -1.200 3.848 1.00 0.00 C ATOM 610 CG ASP A 34 74.304 -1.184 2.387 1.00 0.00 C ATOM 611 OD1 ASP A 34 74.899 -0.453 1.611 1.00 0.00 O ATOM 612 OD2 ASP A 34 73.367 -1.898 2.067 1.00 0.00 O ATOM 0 H ASP A 34 76.248 0.340 6.102 1.00 0.00 H new ATOM 0 HA ASP A 34 76.449 -0.002 3.289 1.00 0.00 H new ATOM 0 HB2 ASP A 34 75.219 -2.156 4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 34 73.884 -1.101 4.502 1.00 0.00 H new ATOM 617 N GLU A 35 74.262 1.600 3.119 1.00 0.00 N ATOM 618 CA GLU A 35 73.500 2.845 3.076 1.00 0.00 C ATOM 619 C GLU A 35 72.816 3.093 4.410 1.00 0.00 C ATOM 620 O GLU A 35 72.709 4.237 4.853 1.00 0.00 O ATOM 621 CB GLU A 35 72.441 2.757 1.979 1.00 0.00 C ATOM 622 CG GLU A 35 71.575 1.515 2.195 1.00 0.00 C ATOM 623 CD GLU A 35 70.654 1.307 0.999 1.00 0.00 C ATOM 624 OE1 GLU A 35 71.168 1.134 -0.095 1.00 0.00 O ATOM 625 OE2 GLU A 35 69.451 1.323 1.193 1.00 0.00 O ATOM 0 H GLU A 35 74.198 1.033 2.274 1.00 0.00 H new ATOM 0 HA GLU A 35 74.184 3.667 2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 35 71.819 3.652 1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 35 72.920 2.712 1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 35 72.209 0.639 2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 35 70.984 1.627 3.104 1.00 0.00 H new ATOM 632 N ILE A 36 72.360 2.028 5.049 1.00 0.00 N ATOM 633 CA ILE A 36 71.676 2.162 6.328 1.00 0.00 C ATOM 634 C ILE A 36 72.453 3.062 7.282 1.00 0.00 C ATOM 635 O ILE A 36 71.958 4.112 7.693 1.00 0.00 O ATOM 636 CB ILE A 36 71.525 0.779 6.977 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.582 -0.083 6.133 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.946 0.933 8.387 1.00 0.00 C ATOM 639 CD1 ILE A 36 70.682 -1.543 6.583 1.00 0.00 C ATOM 0 H ILE A 36 72.449 1.070 4.709 1.00 0.00 H new ATOM 0 HA ILE A 36 70.700 2.608 6.139 1.00 0.00 H new ATOM 0 HB ILE A 36 72.503 0.300 7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.557 0.271 6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.842 0.002 5.078 1.00 0.00 H new ATOM 0 HG21 ILE A 36 70.840 -0.050 8.846 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.616 1.545 8.991 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.970 1.414 8.329 1.00 0.00 H new ATOM 0 HD11 ILE A 36 70.010 -2.156 5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 36 71.706 -1.894 6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 36 70.401 -1.620 7.633 1.00 0.00 H new ATOM 651 N GLU A 37 73.661 2.651 7.634 1.00 0.00 N ATOM 652 CA GLU A 37 74.476 3.430 8.556 1.00 0.00 C ATOM 653 C GLU A 37 74.859 4.773 7.964 1.00 0.00 C ATOM 654 O GLU A 37 74.734 5.808 8.621 1.00 0.00 O ATOM 655 CB GLU A 37 75.755 2.663 8.899 1.00 0.00 C ATOM 656 CG GLU A 37 75.919 2.575 10.416 1.00 0.00 C ATOM 657 CD GLU A 37 75.987 3.977 11.010 1.00 0.00 C ATOM 658 OE1 GLU A 37 76.966 4.660 10.756 1.00 0.00 O ATOM 659 OE2 GLU A 37 75.059 4.349 11.708 1.00 0.00 O ATOM 0 H GLU A 37 74.097 1.791 7.300 1.00 0.00 H new ATOM 0 HA GLU A 37 73.882 3.599 9.454 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.715 1.662 8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.618 3.163 8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 37 75.083 2.026 10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.825 2.022 10.662 1.00 0.00 H new ATOM 666 N TYR A 38 75.345 4.752 6.733 1.00 0.00 N ATOM 667 CA TYR A 38 75.785 5.977 6.107 1.00 0.00 C ATOM 668 C TYR A 38 74.679 7.044 6.159 1.00 0.00 C ATOM 669 O TYR A 38 74.910 8.174 6.593 1.00 0.00 O ATOM 670 CB TYR A 38 76.100 5.731 4.626 1.00 0.00 C ATOM 671 CG TYR A 38 76.471 7.034 3.937 1.00 0.00 C ATOM 672 CD1 TYR A 38 76.880 8.162 4.678 1.00 0.00 C ATOM 673 CD2 TYR A 38 76.441 7.105 2.539 1.00 0.00 C ATOM 674 CE1 TYR A 38 77.223 9.332 4.033 1.00 0.00 C ATOM 675 CE2 TYR A 38 76.783 8.300 1.898 1.00 0.00 C ATOM 676 CZ TYR A 38 77.167 9.414 2.648 1.00 0.00 C ATOM 677 OH TYR A 38 77.500 10.593 2.021 1.00 0.00 O ATOM 0 H TYR A 38 75.442 3.913 6.160 1.00 0.00 H new ATOM 0 HA TYR A 38 76.670 6.317 6.645 1.00 0.00 H new ATOM 0 HB2 TYR A 38 76.920 5.019 4.536 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.236 5.286 4.133 1.00 0.00 H new ATOM 0 HD1 TYR A 38 76.925 8.110 5.756 1.00 0.00 H new ATOM 0 HD2 TYR A 38 76.155 6.241 1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 38 77.537 10.190 4.609 1.00 0.00 H new ATOM 0 HE2 TYR A 38 76.750 8.362 0.820 1.00 0.00 H new ATOM 0 HH TYR A 38 77.410 10.485 1.051 1.00 0.00 H new ATOM 687 N LYS A 39 73.484 6.684 5.724 1.00 0.00 N ATOM 688 CA LYS A 39 72.369 7.629 5.725 1.00 0.00 C ATOM 689 C LYS A 39 72.050 8.084 7.138 1.00 0.00 C ATOM 690 O LYS A 39 71.802 9.258 7.370 1.00 0.00 O ATOM 691 CB LYS A 39 71.135 6.961 5.120 1.00 0.00 C ATOM 692 CG LYS A 39 71.336 6.769 3.615 1.00 0.00 C ATOM 693 CD LYS A 39 70.281 5.802 3.077 1.00 0.00 C ATOM 694 CE LYS A 39 70.366 5.750 1.551 1.00 0.00 C ATOM 695 NZ LYS A 39 71.793 5.852 1.128 1.00 0.00 N ATOM 0 H LYS A 39 73.257 5.755 5.368 1.00 0.00 H new ATOM 0 HA LYS A 39 72.652 8.499 5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 39 70.960 5.998 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.252 7.573 5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.260 7.728 3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.335 6.380 3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.438 4.807 3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.286 6.124 3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.932 4.820 1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 39 69.788 6.565 1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 71.917 5.380 0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 72.059 6.854 1.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 72.399 5.394 1.838 1.00 0.00 H new ATOM 709 N GLN A 40 72.056 7.147 8.076 1.00 0.00 N ATOM 710 CA GLN A 40 71.751 7.472 9.462 1.00 0.00 C ATOM 711 C GLN A 40 72.770 8.454 10.028 1.00 0.00 C ATOM 712 O GLN A 40 72.411 9.376 10.759 1.00 0.00 O ATOM 713 CB GLN A 40 71.760 6.194 10.310 1.00 0.00 C ATOM 714 CG GLN A 40 71.275 6.511 11.727 1.00 0.00 C ATOM 715 CD GLN A 40 71.220 5.234 12.559 1.00 0.00 C ATOM 716 OE1 GLN A 40 71.083 4.140 12.010 1.00 0.00 O ATOM 717 NE2 GLN A 40 71.323 5.308 13.858 1.00 0.00 N ATOM 0 H GLN A 40 72.267 6.164 7.905 1.00 0.00 H new ATOM 0 HA GLN A 40 70.764 7.932 9.493 1.00 0.00 H new ATOM 0 HB2 GLN A 40 71.117 5.440 9.856 1.00 0.00 H new ATOM 0 HB3 GLN A 40 72.766 5.776 10.345 1.00 0.00 H new ATOM 0 HG2 GLN A 40 71.945 7.232 12.196 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.288 6.972 11.688 1.00 0.00 H new ATOM 0 HE21 GLN A 40 71.436 6.215 14.310 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.290 4.458 14.421 1.00 0.00 H new ATOM 726 N VAL A 41 74.035 8.247 9.692 1.00 0.00 N ATOM 727 CA VAL A 41 75.095 9.112 10.202 1.00 0.00 C ATOM 728 C VAL A 41 74.872 10.558 9.774 1.00 0.00 C ATOM 729 O VAL A 41 74.976 11.476 10.588 1.00 0.00 O ATOM 730 CB VAL A 41 76.450 8.632 9.676 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.546 9.618 10.089 1.00 0.00 C ATOM 732 CG2 VAL A 41 76.765 7.249 10.250 1.00 0.00 C ATOM 0 H VAL A 41 74.352 7.498 9.076 1.00 0.00 H new ATOM 0 HA VAL A 41 75.081 9.064 11.291 1.00 0.00 H new ATOM 0 HB VAL A 41 76.410 8.573 8.588 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.508 9.271 9.712 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.326 10.601 9.673 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.585 9.684 11.176 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.730 6.910 9.874 1.00 0.00 H new ATOM 0 HG22 VAL A 41 76.799 7.306 11.338 1.00 0.00 H new ATOM 0 HG23 VAL A 41 75.990 6.545 9.948 1.00 0.00 H new ATOM 742 N LYS A 42 74.558 10.753 8.500 1.00 0.00 N ATOM 743 CA LYS A 42 74.321 12.093 7.978 1.00 0.00 C ATOM 744 C LYS A 42 72.833 12.344 7.786 1.00 0.00 C ATOM 745 O LYS A 42 72.436 13.366 7.229 1.00 0.00 O ATOM 746 CB LYS A 42 75.054 12.268 6.647 1.00 0.00 C ATOM 747 CG LYS A 42 76.567 12.272 6.882 1.00 0.00 C ATOM 748 CD LYS A 42 77.028 13.674 7.294 1.00 0.00 C ATOM 749 CE LYS A 42 78.551 13.705 7.383 1.00 0.00 C ATOM 750 NZ LYS A 42 78.994 15.083 7.737 1.00 0.00 N ATOM 0 H LYS A 42 74.462 10.006 7.812 1.00 0.00 H new ATOM 0 HA LYS A 42 74.701 12.816 8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.785 11.461 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 42 74.748 13.201 6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.825 11.552 7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 42 77.085 11.961 5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.681 14.410 6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.592 13.944 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.898 12.995 8.134 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.989 13.403 6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.032 15.109 7.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.674 15.749 7.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.586 15.354 8.654 1.00 0.00 H new ATOM 764 N GLN A 43 72.016 11.409 8.253 1.00 0.00 N ATOM 765 CA GLN A 43 70.571 11.546 8.125 1.00 0.00 C ATOM 766 C GLN A 43 70.198 12.015 6.721 1.00 0.00 C ATOM 767 O GLN A 43 69.510 13.024 6.560 1.00 0.00 O ATOM 768 CB GLN A 43 70.041 12.537 9.155 1.00 0.00 C ATOM 769 CG GLN A 43 70.286 11.987 10.561 1.00 0.00 C ATOM 770 CD GLN A 43 69.784 12.980 11.603 1.00 0.00 C ATOM 771 OE1 GLN A 43 70.066 14.174 11.508 1.00 0.00 O ATOM 772 NE2 GLN A 43 69.054 12.554 12.596 1.00 0.00 N ATOM 0 H GLN A 43 72.325 10.556 8.719 1.00 0.00 H new ATOM 0 HA GLN A 43 70.119 10.570 8.302 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.537 13.501 9.038 1.00 0.00 H new ATOM 0 HB3 GLN A 43 68.976 12.706 8.999 1.00 0.00 H new ATOM 0 HG2 GLN A 43 69.775 11.032 10.681 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.350 11.800 10.707 1.00 0.00 H new ATOM 0 HE21 GLN A 43 68.823 11.563 12.671 1.00 0.00 H new ATOM 0 HE22 GLN A 43 68.714 13.211 13.298 1.00 0.00 H new ATOM 781 N VAL A 44 70.657 11.282 5.712 1.00 0.00 N ATOM 782 CA VAL A 44 70.372 11.632 4.322 1.00 0.00 C ATOM 783 C VAL A 44 69.735 10.457 3.593 1.00 0.00 C ATOM 784 O VAL A 44 69.357 9.461 4.210 1.00 0.00 O ATOM 785 CB VAL A 44 71.657 12.046 3.605 1.00 0.00 C ATOM 786 CG1 VAL A 44 72.162 13.369 4.184 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.716 10.964 3.807 1.00 0.00 C ATOM 0 H VAL A 44 71.227 10.444 5.828 1.00 0.00 H new ATOM 0 HA VAL A 44 69.674 12.469 4.318 1.00 0.00 H new ATOM 0 HB VAL A 44 71.458 12.170 2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 44 73.078 13.664 3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 44 71.404 14.140 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 44 72.364 13.247 5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.635 11.254 3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.914 10.843 4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 44 72.356 10.021 3.396 1.00 0.00 H new ATOM 797 N ALA A 45 69.607 10.585 2.277 1.00 0.00 N ATOM 798 CA ALA A 45 69.007 9.529 1.473 1.00 0.00 C ATOM 799 C ALA A 45 69.711 9.405 0.126 1.00 0.00 C ATOM 800 O ALA A 45 69.871 8.308 -0.407 1.00 0.00 O ATOM 801 CB ALA A 45 67.524 9.831 1.245 1.00 0.00 C ATOM 0 H ALA A 45 69.908 11.403 1.748 1.00 0.00 H new ATOM 0 HA ALA A 45 69.114 8.587 2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 45 67.080 9.038 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 45 67.012 9.887 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 45 67.422 10.783 0.724 1.00 0.00 H new ATOM 807 N MET A 46 70.121 10.539 -0.426 1.00 0.00 N ATOM 808 CA MET A 46 70.800 10.545 -1.715 1.00 0.00 C ATOM 809 C MET A 46 72.314 10.541 -1.539 1.00 0.00 C ATOM 810 O MET A 46 72.863 11.359 -0.803 1.00 0.00 O ATOM 811 CB MET A 46 70.385 11.786 -2.509 1.00 0.00 C ATOM 812 CG MET A 46 69.193 11.451 -3.408 1.00 0.00 C ATOM 813 SD MET A 46 69.731 10.356 -4.747 1.00 0.00 S ATOM 814 CE MET A 46 70.465 11.622 -5.815 1.00 0.00 C ATOM 0 H MET A 46 69.997 11.460 -0.006 1.00 0.00 H new ATOM 0 HA MET A 46 70.513 9.643 -2.255 1.00 0.00 H new ATOM 0 HB2 MET A 46 70.122 12.594 -1.827 1.00 0.00 H new ATOM 0 HB3 MET A 46 71.221 12.138 -3.114 1.00 0.00 H new ATOM 0 HG2 MET A 46 68.408 10.970 -2.824 1.00 0.00 H new ATOM 0 HG3 MET A 46 68.768 12.366 -3.821 1.00 0.00 H new ATOM 0 HE1 MET A 46 69.899 11.687 -6.744 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.441 12.586 -5.306 1.00 0.00 H new ATOM 0 HE3 MET A 46 71.498 11.356 -6.038 1.00 0.00 H new ATOM 824 N VAL A 47 72.980 9.619 -2.229 1.00 0.00 N ATOM 825 CA VAL A 47 74.431 9.518 -2.152 1.00 0.00 C ATOM 826 C VAL A 47 75.065 10.009 -3.450 1.00 0.00 C ATOM 827 O VAL A 47 74.602 9.668 -4.538 1.00 0.00 O ATOM 828 CB VAL A 47 74.854 8.073 -1.897 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.378 7.995 -1.804 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.228 7.590 -0.590 1.00 0.00 C ATOM 0 H VAL A 47 72.539 8.935 -2.844 1.00 0.00 H new ATOM 0 HA VAL A 47 74.772 10.141 -1.325 1.00 0.00 H new ATOM 0 HB VAL A 47 74.515 7.440 -2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 47 76.679 6.963 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 47 76.818 8.342 -2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.725 8.624 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 47 74.527 6.559 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.568 8.221 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 47 73.142 7.645 -0.664 1.00 0.00 H new ATOM 840 N ASP A 48 76.113 10.818 -3.332 1.00 0.00 N ATOM 841 CA ASP A 48 76.793 11.348 -4.508 1.00 0.00 C ATOM 842 C ASP A 48 77.580 10.247 -5.211 1.00 0.00 C ATOM 843 O ASP A 48 78.435 9.599 -4.607 1.00 0.00 O ATOM 844 CB ASP A 48 77.746 12.471 -4.092 1.00 0.00 C ATOM 845 CG ASP A 48 76.951 13.711 -3.703 1.00 0.00 C ATOM 846 OD1 ASP A 48 75.761 13.738 -3.976 1.00 0.00 O ATOM 847 OD2 ASP A 48 77.540 14.618 -3.141 1.00 0.00 O ATOM 0 H ASP A 48 76.507 11.119 -2.441 1.00 0.00 H new ATOM 0 HA ASP A 48 76.044 11.740 -5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 48 78.361 12.145 -3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.424 12.706 -4.912 1.00 0.00 H new ATOM 852 N ARG A 49 77.287 10.041 -6.492 1.00 0.00 N ATOM 853 CA ARG A 49 77.974 9.012 -7.264 1.00 0.00 C ATOM 854 C ARG A 49 78.235 9.496 -8.682 1.00 0.00 C ATOM 855 O ARG A 49 77.647 10.484 -9.132 1.00 0.00 O ATOM 856 CB ARG A 49 77.134 7.736 -7.310 1.00 0.00 C ATOM 857 CG ARG A 49 76.622 7.414 -5.907 1.00 0.00 C ATOM 858 CD ARG A 49 76.158 5.960 -5.844 1.00 0.00 C ATOM 859 NE ARG A 49 77.296 5.076 -5.622 1.00 0.00 N ATOM 860 CZ ARG A 49 77.123 3.776 -5.406 1.00 0.00 C ATOM 861 NH1 ARG A 49 75.920 3.272 -5.390 1.00 0.00 N ATOM 862 NH2 ARG A 49 78.157 3.004 -5.212 1.00 0.00 N ATOM 0 H ARG A 49 76.585 10.568 -7.013 1.00 0.00 H new ATOM 0 HA ARG A 49 78.926 8.800 -6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 49 76.295 7.864 -7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.732 6.908 -7.690 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.411 7.585 -5.174 1.00 0.00 H new ATOM 0 HG3 ARG A 49 75.798 8.079 -5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 49 75.431 5.837 -5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 49 75.655 5.691 -6.773 1.00 0.00 H new ATOM 0 HE ARG A 49 78.240 5.461 -5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 49 75.112 3.876 -5.543 1.00 0.00 H new ATOM 0 HH12 ARG A 49 75.787 2.274 -5.224 1.00 0.00 H new ATOM 0 HH21 ARG A 49 79.098 3.398 -5.226 1.00 0.00 H new ATOM 0 HH22 ARG A 49 78.025 2.006 -5.046 1.00 0.00 H new ATOM 876 N TRP A 50 79.125 8.801 -9.385 1.00 0.00 N ATOM 877 CA TRP A 50 79.451 9.187 -10.751 1.00 0.00 C ATOM 878 C TRP A 50 78.593 8.416 -11.757 1.00 0.00 C ATOM 879 O TRP A 50 78.361 7.226 -11.596 1.00 0.00 O ATOM 880 CB TRP A 50 80.925 8.918 -11.043 1.00 0.00 C ATOM 881 CG TRP A 50 81.762 9.730 -10.112 1.00 0.00 C ATOM 882 CD1 TRP A 50 82.059 9.390 -8.839 1.00 0.00 C ATOM 883 CD2 TRP A 50 82.416 11.009 -10.360 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.849 10.380 -8.285 1.00 0.00 N ATOM 885 CE2 TRP A 50 83.100 11.398 -9.185 1.00 0.00 C ATOM 886 CE3 TRP A 50 82.482 11.861 -11.478 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.824 12.587 -9.119 1.00 0.00 C ATOM 888 CZ3 TRP A 50 83.210 13.061 -11.414 1.00 0.00 C ATOM 889 CH2 TRP A 50 83.880 13.423 -10.238 1.00 0.00 C ATOM 0 H TRP A 50 79.625 7.982 -9.038 1.00 0.00 H new ATOM 0 HA TRP A 50 79.247 10.253 -10.852 1.00 0.00 H new ATOM 0 HB2 TRP A 50 81.146 7.858 -10.920 1.00 0.00 H new ATOM 0 HB3 TRP A 50 81.156 9.174 -12.077 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.733 8.492 -8.336 1.00 0.00 H new ATOM 0 HE1 TRP A 50 83.203 10.361 -7.329 1.00 0.00 H new ATOM 0 HE3 TRP A 50 81.970 11.591 -12.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 84.338 12.861 -8.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 83.253 13.709 -12.277 1.00 0.00 H new ATOM 0 HH2 TRP A 50 84.439 14.346 -10.196 1.00 0.00 H new ATOM 900 N PRO A 51 78.123 9.063 -12.789 1.00 0.00 N ATOM 901 CA PRO A 51 77.263 8.412 -13.824 1.00 0.00 C ATOM 902 C PRO A 51 77.999 7.316 -14.592 1.00 0.00 C ATOM 903 O PRO A 51 77.386 6.353 -15.057 1.00 0.00 O ATOM 904 CB PRO A 51 76.887 9.570 -14.756 1.00 0.00 C ATOM 905 CG PRO A 51 77.940 10.603 -14.543 1.00 0.00 C ATOM 906 CD PRO A 51 78.371 10.476 -13.099 1.00 0.00 C ATOM 0 HA PRO A 51 76.403 7.911 -13.381 1.00 0.00 H new ATOM 0 HB2 PRO A 51 76.859 9.245 -15.796 1.00 0.00 H new ATOM 0 HB3 PRO A 51 75.898 9.961 -14.518 1.00 0.00 H new ATOM 0 HG2 PRO A 51 78.783 10.444 -15.216 1.00 0.00 H new ATOM 0 HG3 PRO A 51 77.553 11.601 -14.747 1.00 0.00 H new ATOM 0 HD2 PRO A 51 79.421 10.737 -12.970 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.796 11.136 -12.449 1.00 0.00 H new ATOM 914 N GLU A 52 79.311 7.471 -14.723 1.00 0.00 N ATOM 915 CA GLU A 52 80.107 6.500 -15.459 1.00 0.00 C ATOM 916 C GLU A 52 79.794 5.085 -14.983 1.00 0.00 C ATOM 917 O GLU A 52 79.507 4.204 -15.795 1.00 0.00 O ATOM 918 CB GLU A 52 81.596 6.781 -15.235 1.00 0.00 C ATOM 919 CG GLU A 52 81.958 8.138 -15.841 1.00 0.00 C ATOM 920 CD GLU A 52 81.877 8.068 -17.360 1.00 0.00 C ATOM 921 OE1 GLU A 52 81.836 6.965 -17.880 1.00 0.00 O ATOM 922 OE2 GLU A 52 81.857 9.117 -17.982 1.00 0.00 O ATOM 0 H GLU A 52 79.840 8.251 -14.334 1.00 0.00 H new ATOM 0 HA GLU A 52 79.865 6.585 -16.518 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.821 6.776 -14.169 1.00 0.00 H new ATOM 0 HB3 GLU A 52 82.198 5.995 -15.692 1.00 0.00 H new ATOM 0 HG2 GLU A 52 81.280 8.905 -15.467 1.00 0.00 H new ATOM 0 HG3 GLU A 52 82.964 8.426 -15.535 1.00 0.00 H new ATOM 929 N THR A 53 79.842 4.876 -13.675 1.00 0.00 N ATOM 930 CA THR A 53 79.551 3.564 -13.110 1.00 0.00 C ATOM 931 C THR A 53 78.509 3.666 -12.001 1.00 0.00 C ATOM 932 O THR A 53 77.714 2.746 -11.799 1.00 0.00 O ATOM 933 CB THR A 53 80.831 2.959 -12.546 1.00 0.00 C ATOM 934 OG1 THR A 53 81.473 3.925 -11.730 1.00 0.00 O ATOM 935 CG2 THR A 53 81.762 2.545 -13.686 1.00 0.00 C ATOM 0 H THR A 53 80.078 5.592 -12.988 1.00 0.00 H new ATOM 0 HA THR A 53 79.154 2.928 -13.901 1.00 0.00 H new ATOM 0 HB THR A 53 80.588 2.076 -11.955 1.00 0.00 H new ATOM 0 HG1 THR A 53 81.569 3.573 -10.820 1.00 0.00 H new ATOM 0 HG21 THR A 53 82.674 2.114 -13.273 1.00 0.00 H new ATOM 0 HG22 THR A 53 81.263 1.806 -14.313 1.00 0.00 H new ATOM 0 HG23 THR A 53 82.014 3.419 -14.286 1.00 0.00 H new ATOM 943 N GLY A 54 78.511 4.787 -11.288 1.00 0.00 N ATOM 944 CA GLY A 54 77.556 4.984 -10.202 1.00 0.00 C ATOM 945 C GLY A 54 78.172 4.640 -8.857 1.00 0.00 C ATOM 946 O GLY A 54 77.461 4.322 -7.909 1.00 0.00 O ATOM 0 H GLY A 54 79.154 5.564 -11.439 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.218 6.020 -10.195 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.676 4.363 -10.371 1.00 0.00 H new ATOM 950 N TYR A 55 79.496 4.705 -8.781 1.00 0.00 N ATOM 951 CA TYR A 55 80.196 4.404 -7.539 1.00 0.00 C ATOM 952 C TYR A 55 80.182 5.610 -6.612 1.00 0.00 C ATOM 953 O TYR A 55 79.991 6.742 -7.058 1.00 0.00 O ATOM 954 CB TYR A 55 81.643 3.999 -7.826 1.00 0.00 C ATOM 955 CG TYR A 55 81.679 2.674 -8.554 1.00 0.00 C ATOM 956 CD1 TYR A 55 80.968 1.571 -8.065 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.426 2.550 -9.727 1.00 0.00 C ATOM 958 CE1 TYR A 55 81.000 0.360 -8.748 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.460 1.330 -10.414 1.00 0.00 C ATOM 960 CZ TYR A 55 81.742 0.236 -9.923 1.00 0.00 C ATOM 961 OH TYR A 55 81.769 -0.968 -10.592 1.00 0.00 O ATOM 0 H TYR A 55 80.103 4.962 -9.560 1.00 0.00 H new ATOM 0 HA TYR A 55 79.681 3.575 -7.053 1.00 0.00 H new ATOM 0 HB2 TYR A 55 82.131 4.766 -8.427 1.00 0.00 H new ATOM 0 HB3 TYR A 55 82.200 3.924 -6.892 1.00 0.00 H new ATOM 0 HD1 TYR A 55 80.393 1.661 -7.155 1.00 0.00 H new ATOM 0 HD2 TYR A 55 82.979 3.397 -10.106 1.00 0.00 H new ATOM 0 HE1 TYR A 55 80.449 -0.487 -8.368 1.00 0.00 H new ATOM 0 HE2 TYR A 55 83.039 1.235 -11.320 1.00 0.00 H new ATOM 0 HH TYR A 55 82.575 -1.465 -10.339 1.00 0.00 H new ATOM 971 N VAL A 56 80.377 5.354 -5.319 1.00 0.00 N ATOM 972 CA VAL A 56 80.372 6.426 -4.332 1.00 0.00 C ATOM 973 C VAL A 56 81.464 7.437 -4.661 1.00 0.00 C ATOM 974 O VAL A 56 82.635 7.083 -4.778 1.00 0.00 O ATOM 975 CB VAL A 56 80.605 5.849 -2.934 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.532 6.968 -1.894 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.532 4.801 -2.621 1.00 0.00 C ATOM 0 H VAL A 56 80.539 4.423 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 56 79.403 6.925 -4.355 1.00 0.00 H new ATOM 0 HB VAL A 56 81.590 5.384 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 56 80.698 6.552 -0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.297 7.714 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.548 7.436 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.702 4.393 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.547 5.266 -2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.583 3.998 -3.356 1.00 0.00 H new ATOM 987 N LYS A 57 81.069 8.700 -4.797 1.00 0.00 N ATOM 988 CA LYS A 57 82.022 9.762 -5.100 1.00 0.00 C ATOM 989 C LYS A 57 82.834 10.136 -3.868 1.00 0.00 C ATOM 990 O LYS A 57 84.058 10.252 -3.929 1.00 0.00 O ATOM 991 CB LYS A 57 81.282 10.989 -5.635 1.00 0.00 C ATOM 992 CG LYS A 57 82.258 12.161 -5.756 1.00 0.00 C ATOM 993 CD LYS A 57 81.619 13.271 -6.588 1.00 0.00 C ATOM 994 CE LYS A 57 82.457 14.545 -6.472 1.00 0.00 C ATOM 995 NZ LYS A 57 82.249 15.151 -5.126 1.00 0.00 N ATOM 0 H LYS A 57 80.102 9.011 -4.703 1.00 0.00 H new ATOM 0 HA LYS A 57 82.711 9.397 -5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 57 80.842 10.766 -6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.462 11.252 -4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.517 12.537 -4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 57 83.185 11.829 -6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.549 12.963 -7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.603 13.459 -6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 57 83.512 14.315 -6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 57 82.173 15.253 -7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.524 16.154 -5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 81.246 15.073 -4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 82.831 14.649 -4.426 1.00 0.00 H new ATOM 1009 N LYS A 58 82.144 10.320 -2.748 1.00 0.00 N ATOM 1010 CA LYS A 58 82.816 10.678 -1.504 1.00 0.00 C ATOM 1011 C LYS A 58 82.108 10.035 -0.319 1.00 0.00 C ATOM 1012 O LYS A 58 80.884 9.887 -0.321 1.00 0.00 O ATOM 1013 CB LYS A 58 82.826 12.202 -1.339 1.00 0.00 C ATOM 1014 CG LYS A 58 81.393 12.714 -1.165 1.00 0.00 C ATOM 1015 CD LYS A 58 81.395 14.242 -1.172 1.00 0.00 C ATOM 1016 CE LYS A 58 79.975 14.754 -0.921 1.00 0.00 C ATOM 1017 NZ LYS A 58 79.553 14.391 0.461 1.00 0.00 N ATOM 0 H LYS A 58 81.131 10.229 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 58 83.843 10.313 -1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.429 12.479 -0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 58 83.285 12.668 -2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 58 80.760 12.337 -1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 58 80.974 12.344 -0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.070 14.619 -0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 58 81.763 14.612 -2.129 1.00 0.00 H new ATOM 0 HE2 LYS A 58 79.939 15.836 -1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.287 14.322 -1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 78.787 15.025 0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 79.215 13.408 0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 80.362 14.487 1.108 1.00 0.00 H new ATOM 1031 N LEU A 59 82.881 9.658 0.696 1.00 0.00 N ATOM 1032 CA LEU A 59 82.305 9.031 1.876 1.00 0.00 C ATOM 1033 C LEU A 59 83.084 9.423 3.128 1.00 0.00 C ATOM 1034 O LEU A 59 84.305 9.272 3.188 1.00 0.00 O ATOM 1035 CB LEU A 59 82.335 7.508 1.714 1.00 0.00 C ATOM 1036 CG LEU A 59 81.105 6.876 2.334 1.00 0.00 C ATOM 1037 CD1 LEU A 59 79.846 7.385 1.630 1.00 0.00 C ATOM 1038 CD2 LEU A 59 81.176 5.351 2.202 1.00 0.00 C ATOM 0 H LEU A 59 83.894 9.775 0.724 1.00 0.00 H new ATOM 0 HA LEU A 59 81.275 9.372 1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.387 7.251 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 59 83.232 7.105 2.184 1.00 0.00 H new ATOM 0 HG LEU A 59 81.066 7.147 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 59 78.966 6.926 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 59 79.784 8.468 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 59 79.890 7.124 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 59 80.288 4.905 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 59 81.226 5.079 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 59 82.065 4.982 2.714 1.00 0.00 H new ATOM 1050 N GLN A 60 82.361 9.924 4.123 1.00 0.00 N ATOM 1051 CA GLN A 60 82.984 10.337 5.374 1.00 0.00 C ATOM 1052 C GLN A 60 83.217 9.129 6.277 1.00 0.00 C ATOM 1053 O GLN A 60 82.331 8.299 6.463 1.00 0.00 O ATOM 1054 CB GLN A 60 82.099 11.351 6.095 1.00 0.00 C ATOM 1055 CG GLN A 60 82.898 12.015 7.218 1.00 0.00 C ATOM 1056 CD GLN A 60 81.945 12.555 8.281 1.00 0.00 C ATOM 1057 OE1 GLN A 60 80.938 11.919 8.592 1.00 0.00 O ATOM 1058 NE2 GLN A 60 82.208 13.689 8.867 1.00 0.00 N ATOM 0 H GLN A 60 81.350 10.053 4.088 1.00 0.00 H new ATOM 0 HA GLN A 60 83.944 10.799 5.143 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.743 12.104 5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 60 81.218 10.856 6.504 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.584 11.295 7.664 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.505 12.826 6.815 1.00 0.00 H new ATOM 0 HE21 GLN A 60 83.043 14.215 8.608 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.579 14.050 9.584 1.00 0.00 H new ATOM 1067 N ARG A 61 84.417 9.036 6.831 1.00 0.00 N ATOM 1068 CA ARG A 61 84.758 7.922 7.702 1.00 0.00 C ATOM 1069 C ARG A 61 84.102 8.088 9.075 1.00 0.00 C ATOM 1070 O ARG A 61 83.533 9.129 9.386 1.00 0.00 O ATOM 1071 CB ARG A 61 86.278 7.823 7.866 1.00 0.00 C ATOM 1072 CG ARG A 61 86.947 7.901 6.493 1.00 0.00 C ATOM 1073 CD ARG A 61 88.044 6.837 6.390 1.00 0.00 C ATOM 1074 NE ARG A 61 88.660 6.870 5.068 1.00 0.00 N ATOM 1075 CZ ARG A 61 89.328 5.822 4.597 1.00 0.00 C ATOM 1076 NH1 ARG A 61 89.438 4.739 5.318 1.00 0.00 N ATOM 1077 NH2 ARG A 61 89.870 5.872 3.410 1.00 0.00 N ATOM 0 H ARG A 61 85.166 9.714 6.694 1.00 0.00 H new ATOM 0 HA ARG A 61 84.386 7.006 7.243 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.639 8.630 8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.541 6.886 8.357 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.206 7.750 5.708 1.00 0.00 H new ATOM 0 HG3 ARG A 61 87.374 8.893 6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 61 88.801 7.010 7.155 1.00 0.00 H new ATOM 0 HD3 ARG A 61 87.621 5.850 6.577 1.00 0.00 H new ATOM 0 HE ARG A 61 88.577 7.711 4.496 1.00 0.00 H new ATOM 0 HH11 ARG A 61 89.011 4.697 6.243 1.00 0.00 H new ATOM 0 HH12 ARG A 61 89.951 3.935 4.956 1.00 0.00 H new ATOM 0 HH21 ARG A 61 89.781 6.716 2.844 1.00 0.00 H new ATOM 0 HH22 ARG A 61 90.383 5.067 3.049 1.00 0.00 H new ATOM 1091 N ARG A 62 84.202 7.047 9.889 1.00 0.00 N ATOM 1092 CA ARG A 62 83.638 7.084 11.234 1.00 0.00 C ATOM 1093 C ARG A 62 84.411 8.070 12.107 1.00 0.00 C ATOM 1094 O ARG A 62 83.996 8.390 13.221 1.00 0.00 O ATOM 1095 CB ARG A 62 83.669 5.694 11.870 1.00 0.00 C ATOM 1096 CG ARG A 62 85.120 5.269 12.147 1.00 0.00 C ATOM 1097 CD ARG A 62 85.864 5.073 10.824 1.00 0.00 C ATOM 1098 NE ARG A 62 86.951 4.127 10.996 1.00 0.00 N ATOM 1099 CZ ARG A 62 87.713 3.769 9.969 1.00 0.00 C ATOM 1100 NH1 ARG A 62 87.490 4.267 8.782 1.00 0.00 N ATOM 1101 NH2 ARG A 62 88.680 2.912 10.145 1.00 0.00 N ATOM 0 H ARG A 62 84.665 6.171 9.646 1.00 0.00 H new ATOM 0 HA ARG A 62 82.601 7.412 11.159 1.00 0.00 H new ATOM 0 HB2 ARG A 62 83.100 5.699 12.800 1.00 0.00 H new ATOM 0 HB3 ARG A 62 83.191 4.972 11.208 1.00 0.00 H new ATOM 0 HG2 ARG A 62 85.622 6.027 12.748 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.134 4.344 12.723 1.00 0.00 H new ATOM 0 HD2 ARG A 62 85.175 4.711 10.061 1.00 0.00 H new ATOM 0 HD3 ARG A 62 86.255 6.028 10.473 1.00 0.00 H new ATOM 0 HE ARG A 62 87.132 3.732 11.919 1.00 0.00 H new ATOM 0 HH11 ARG A 62 86.729 4.932 8.643 1.00 0.00 H new ATOM 0 HH12 ARG A 62 88.077 3.991 7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 62 88.850 2.518 11.070 1.00 0.00 H new ATOM 0 HH22 ARG A 62 89.266 2.636 9.357 1.00 0.00 H new ATOM 1115 N ASP A 63 85.553 8.522 11.599 1.00 0.00 N ATOM 1116 CA ASP A 63 86.394 9.451 12.339 1.00 0.00 C ATOM 1117 C ASP A 63 86.094 10.881 11.936 1.00 0.00 C ATOM 1118 O ASP A 63 86.806 11.798 12.339 1.00 0.00 O ATOM 1119 CB ASP A 63 87.870 9.152 12.093 1.00 0.00 C ATOM 1120 CG ASP A 63 88.250 7.829 12.748 1.00 0.00 C ATOM 1121 OD1 ASP A 63 87.484 7.357 13.573 1.00 0.00 O ATOM 1122 OD2 ASP A 63 89.301 7.306 12.416 1.00 0.00 O ATOM 0 H ASP A 63 85.915 8.260 10.682 1.00 0.00 H new ATOM 0 HA ASP A 63 86.177 9.327 13.400 1.00 0.00 H new ATOM 0 HB2 ASP A 63 88.067 9.107 11.022 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.485 9.957 12.496 1.00 0.00 H new ATOM 1127 N ASN A 64 85.041 11.062 11.145 1.00 0.00 N ATOM 1128 CA ASN A 64 84.642 12.395 10.697 1.00 0.00 C ATOM 1129 C ASN A 64 85.645 12.953 9.697 1.00 0.00 C ATOM 1130 O ASN A 64 85.933 14.148 9.701 1.00 0.00 O ATOM 1131 CB ASN A 64 84.527 13.339 11.894 1.00 0.00 C ATOM 1132 CG ASN A 64 83.725 12.673 13.006 1.00 0.00 C ATOM 1133 OD1 ASN A 64 82.836 11.865 12.737 1.00 0.00 O ATOM 1134 ND2 ASN A 64 83.980 12.978 14.247 1.00 0.00 N ATOM 0 H ASN A 64 84.449 10.306 10.801 1.00 0.00 H new ATOM 0 HA ASN A 64 83.672 12.313 10.207 1.00 0.00 H new ATOM 0 HB2 ASN A 64 85.520 13.602 12.258 1.00 0.00 H new ATOM 0 HB3 ASN A 64 84.043 14.267 11.591 1.00 0.00 H new ATOM 0 HD21 ASN A 64 83.442 12.547 14.999 1.00 0.00 H new ATOM 0 HD22 ASN A 64 84.717 13.648 14.466 1.00 0.00 H new ATOM 1141 N THR A 65 86.167 12.076 8.842 1.00 0.00 N ATOM 1142 CA THR A 65 87.130 12.495 7.830 1.00 0.00 C ATOM 1143 C THR A 65 86.590 12.227 6.431 1.00 0.00 C ATOM 1144 O THR A 65 86.187 11.108 6.114 1.00 0.00 O ATOM 1145 CB THR A 65 88.448 11.740 8.023 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.182 10.351 8.157 1.00 0.00 O ATOM 1147 CG2 THR A 65 89.153 12.255 9.277 1.00 0.00 C ATOM 0 H THR A 65 85.942 11.081 8.830 1.00 0.00 H new ATOM 0 HA THR A 65 87.302 13.566 7.940 1.00 0.00 H new ATOM 0 HB THR A 65 89.091 11.902 7.158 1.00 0.00 H new ATOM 0 HG1 THR A 65 89.025 9.867 8.279 1.00 0.00 H new ATOM 0 HG21 THR A 65 90.091 11.717 9.414 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.358 13.320 9.168 1.00 0.00 H new ATOM 0 HG23 THR A 65 88.514 12.096 10.145 1.00 0.00 H new ATOM 1155 N PHE A 66 86.583 13.262 5.598 1.00 0.00 N ATOM 1156 CA PHE A 66 86.084 13.127 4.233 1.00 0.00 C ATOM 1157 C PHE A 66 87.081 12.355 3.379 1.00 0.00 C ATOM 1158 O PHE A 66 88.228 12.774 3.219 1.00 0.00 O ATOM 1159 CB PHE A 66 85.853 14.510 3.620 1.00 0.00 C ATOM 1160 CG PHE A 66 84.550 15.079 4.128 1.00 0.00 C ATOM 1161 CD1 PHE A 66 83.336 14.569 3.653 1.00 0.00 C ATOM 1162 CD2 PHE A 66 84.554 16.112 5.073 1.00 0.00 C ATOM 1163 CE1 PHE A 66 82.125 15.092 4.123 1.00 0.00 C ATOM 1164 CE2 PHE A 66 83.343 16.635 5.543 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.128 16.125 5.067 1.00 0.00 C ATOM 0 H PHE A 66 86.914 14.196 5.840 1.00 0.00 H new ATOM 0 HA PHE A 66 85.141 12.581 4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 66 86.677 15.175 3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.830 14.438 2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.333 13.772 2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 66 85.491 16.505 5.439 1.00 0.00 H new ATOM 0 HE1 PHE A 66 81.188 14.698 3.757 1.00 0.00 H new ATOM 0 HE2 PHE A 66 83.346 17.431 6.272 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.194 16.529 5.429 1.00 0.00 H new ATOM 1175 N PHE A 67 86.635 11.224 2.833 1.00 0.00 N ATOM 1176 CA PHE A 67 87.498 10.398 1.996 1.00 0.00 C ATOM 1177 C PHE A 67 86.908 10.266 0.596 1.00 0.00 C ATOM 1178 O PHE A 67 85.811 9.736 0.420 1.00 0.00 O ATOM 1179 CB PHE A 67 87.654 9.010 2.621 1.00 0.00 C ATOM 1180 CG PHE A 67 88.755 8.261 1.908 1.00 0.00 C ATOM 1181 CD1 PHE A 67 90.093 8.610 2.128 1.00 0.00 C ATOM 1182 CD2 PHE A 67 88.439 7.220 1.030 1.00 0.00 C ATOM 1183 CE1 PHE A 67 91.115 7.916 1.471 1.00 0.00 C ATOM 1184 CE2 PHE A 67 89.461 6.525 0.371 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.799 6.875 0.592 1.00 0.00 C ATOM 0 H PHE A 67 85.689 10.863 2.955 1.00 0.00 H new ATOM 0 HA PHE A 67 88.476 10.875 1.924 1.00 0.00 H new ATOM 0 HB2 PHE A 67 87.888 9.101 3.682 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.717 8.458 2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 67 90.336 9.415 2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 67 87.407 6.952 0.860 1.00 0.00 H new ATOM 0 HE1 PHE A 67 92.147 8.184 1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 67 89.218 5.720 -0.307 1.00 0.00 H new ATOM 0 HZ PHE A 67 91.588 6.341 0.083 1.00 0.00 H new ATOM 1195 N TYR A 68 87.643 10.754 -0.398 1.00 0.00 N ATOM 1196 CA TYR A 68 87.180 10.686 -1.776 1.00 0.00 C ATOM 1197 C TYR A 68 87.478 9.315 -2.372 1.00 0.00 C ATOM 1198 O TYR A 68 88.564 8.768 -2.183 1.00 0.00 O ATOM 1199 CB TYR A 68 87.869 11.770 -2.612 1.00 0.00 C ATOM 1200 CG TYR A 68 87.373 13.130 -2.183 1.00 0.00 C ATOM 1201 CD1 TYR A 68 86.145 13.610 -2.658 1.00 0.00 C ATOM 1202 CD2 TYR A 68 88.137 13.912 -1.307 1.00 0.00 C ATOM 1203 CE1 TYR A 68 85.685 14.871 -2.261 1.00 0.00 C ATOM 1204 CE2 TYR A 68 87.675 15.172 -0.910 1.00 0.00 C ATOM 1205 CZ TYR A 68 86.450 15.652 -1.386 1.00 0.00 C ATOM 1206 OH TYR A 68 85.995 16.894 -0.995 1.00 0.00 O ATOM 0 H TYR A 68 88.554 11.197 -0.275 1.00 0.00 H new ATOM 0 HA TYR A 68 86.102 10.849 -1.788 1.00 0.00 H new ATOM 0 HB2 TYR A 68 88.950 11.709 -2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 68 87.663 11.613 -3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.553 13.007 -3.331 1.00 0.00 H new ATOM 0 HD2 TYR A 68 89.082 13.543 -0.938 1.00 0.00 H new ATOM 0 HE1 TYR A 68 84.740 15.242 -2.630 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.265 15.775 -0.235 1.00 0.00 H new ATOM 0 HH TYR A 68 86.645 17.304 -0.386 1.00 0.00 H new ATOM 1216 N TYR A 69 86.507 8.772 -3.099 1.00 0.00 N ATOM 1217 CA TYR A 69 86.665 7.466 -3.728 1.00 0.00 C ATOM 1218 C TYR A 69 86.823 7.606 -5.237 1.00 0.00 C ATOM 1219 O TYR A 69 86.329 8.558 -5.839 1.00 0.00 O ATOM 1220 CB TYR A 69 85.459 6.580 -3.416 1.00 0.00 C ATOM 1221 CG TYR A 69 85.614 5.973 -2.044 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.439 4.854 -1.869 1.00 0.00 C ATOM 1223 CD2 TYR A 69 84.939 6.517 -0.949 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.587 4.283 -0.600 1.00 0.00 C ATOM 1225 CE2 TYR A 69 85.090 5.939 0.319 1.00 0.00 C ATOM 1226 CZ TYR A 69 85.911 4.825 0.491 1.00 0.00 C ATOM 1227 OH TYR A 69 86.054 4.263 1.744 1.00 0.00 O ATOM 0 H TYR A 69 85.604 9.215 -3.267 1.00 0.00 H new ATOM 0 HA TYR A 69 87.566 7.003 -3.325 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.542 7.168 -3.462 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.371 5.793 -4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.961 4.432 -2.715 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.303 7.380 -1.079 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.225 3.422 -0.466 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.568 6.358 1.167 1.00 0.00 H new ATOM 0 HH TYR A 69 85.267 3.717 1.949 1.00 0.00 H new ATOM 1237 N ASN A 70 87.518 6.648 -5.840 1.00 0.00 N ATOM 1238 CA ASN A 70 87.738 6.666 -7.281 1.00 0.00 C ATOM 1239 C ASN A 70 86.682 5.839 -8.005 1.00 0.00 C ATOM 1240 O ASN A 70 86.481 4.665 -7.697 1.00 0.00 O ATOM 1241 CB ASN A 70 89.129 6.117 -7.605 1.00 0.00 C ATOM 1242 CG ASN A 70 89.217 5.760 -9.084 1.00 0.00 C ATOM 1243 OD1 ASN A 70 88.581 6.405 -9.918 1.00 0.00 O ATOM 1244 ND2 ASN A 70 89.965 4.758 -9.458 1.00 0.00 N ATOM 0 H ASN A 70 87.937 5.853 -5.356 1.00 0.00 H new ATOM 0 HA ASN A 70 87.664 7.699 -7.622 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.889 6.858 -7.355 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.332 5.235 -6.997 1.00 0.00 H new ATOM 0 HD21 ASN A 70 90.024 4.506 -10.445 1.00 0.00 H new ATOM 0 HD22 ASN A 70 90.490 4.227 -8.764 1.00 0.00 H new ATOM 1251 N LYS A 71 86.012 6.460 -8.972 1.00 0.00 N ATOM 1252 CA LYS A 71 84.988 5.766 -9.746 1.00 0.00 C ATOM 1253 C LYS A 71 85.618 4.689 -10.628 1.00 0.00 C ATOM 1254 O LYS A 71 85.029 3.642 -10.875 1.00 0.00 O ATOM 1255 CB LYS A 71 84.217 6.767 -10.606 1.00 0.00 C ATOM 1256 CG LYS A 71 85.202 7.569 -11.457 1.00 0.00 C ATOM 1257 CD LYS A 71 84.440 8.371 -12.506 1.00 0.00 C ATOM 1258 CE LYS A 71 85.435 9.022 -13.467 1.00 0.00 C ATOM 1259 NZ LYS A 71 86.163 10.119 -12.770 1.00 0.00 N ATOM 0 H LYS A 71 86.158 7.434 -9.237 1.00 0.00 H new ATOM 0 HA LYS A 71 84.297 5.283 -9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.508 6.243 -11.247 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.637 7.438 -9.972 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.783 8.240 -10.824 1.00 0.00 H new ATOM 0 HG3 LYS A 71 85.910 6.897 -11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 71 83.760 7.720 -13.055 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.830 9.135 -12.024 1.00 0.00 H new ATOM 0 HE2 LYS A 71 86.143 8.278 -13.832 1.00 0.00 H new ATOM 0 HE3 LYS A 71 84.910 9.416 -14.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 86.738 10.646 -13.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 85.478 10.763 -12.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 86.783 9.715 -12.039 1.00 0.00 H new ATOM 1273 N GLU A 72 86.827 4.950 -11.097 1.00 0.00 N ATOM 1274 CA GLU A 72 87.520 3.986 -11.942 1.00 0.00 C ATOM 1275 C GLU A 72 87.963 2.794 -11.110 1.00 0.00 C ATOM 1276 O GLU A 72 89.150 2.487 -11.046 1.00 0.00 O ATOM 1277 CB GLU A 72 88.751 4.637 -12.577 1.00 0.00 C ATOM 1278 CG GLU A 72 88.319 5.539 -13.730 1.00 0.00 C ATOM 1279 CD GLU A 72 89.507 6.355 -14.229 1.00 0.00 C ATOM 1280 OE1 GLU A 72 90.489 6.436 -13.512 1.00 0.00 O ATOM 1281 OE2 GLU A 72 89.415 6.882 -15.327 1.00 0.00 O ATOM 0 H GLU A 72 87.345 5.809 -10.912 1.00 0.00 H new ATOM 0 HA GLU A 72 86.838 3.654 -12.725 1.00 0.00 H new ATOM 0 HB2 GLU A 72 89.292 5.219 -11.831 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.434 3.869 -12.940 1.00 0.00 H new ATOM 0 HG2 GLU A 72 87.915 4.935 -14.543 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.522 6.206 -13.402 1.00 0.00 H new ATOM 1288 N ARG A 73 86.998 2.132 -10.471 1.00 0.00 N ATOM 1289 CA ARG A 73 87.295 0.978 -9.639 1.00 0.00 C ATOM 1290 C ARG A 73 88.472 0.182 -10.187 1.00 0.00 C ATOM 1291 O ARG A 73 88.578 -0.031 -11.393 1.00 0.00 O ATOM 1292 CB ARG A 73 86.071 0.061 -9.561 1.00 0.00 C ATOM 1293 CG ARG A 73 85.589 -0.048 -8.116 1.00 0.00 C ATOM 1294 CD ARG A 73 86.675 -0.698 -7.254 1.00 0.00 C ATOM 1295 NE ARG A 73 87.494 0.322 -6.604 1.00 0.00 N ATOM 1296 CZ ARG A 73 87.112 0.892 -5.470 1.00 0.00 C ATOM 1297 NH1 ARG A 73 85.997 0.535 -4.907 1.00 0.00 N ATOM 1298 NH2 ARG A 73 87.855 1.811 -4.920 1.00 0.00 N ATOM 0 H ARG A 73 86.009 2.378 -10.517 1.00 0.00 H new ATOM 0 HA ARG A 73 87.555 1.347 -8.647 1.00 0.00 H new ATOM 0 HB2 ARG A 73 85.272 0.453 -10.190 1.00 0.00 H new ATOM 0 HB3 ARG A 73 86.323 -0.928 -9.944 1.00 0.00 H new ATOM 0 HG2 ARG A 73 85.348 0.942 -7.728 1.00 0.00 H new ATOM 0 HG3 ARG A 73 84.674 -0.639 -8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 73 86.215 -1.337 -6.501 1.00 0.00 H new ATOM 0 HD3 ARG A 73 87.304 -1.337 -7.873 1.00 0.00 H new ATOM 0 HE ARG A 73 88.377 0.601 -7.031 1.00 0.00 H new ATOM 0 HH11 ARG A 73 85.416 -0.184 -5.338 1.00 0.00 H new ATOM 0 HH12 ARG A 73 85.703 0.974 -4.034 1.00 0.00 H new ATOM 0 HH21 ARG A 73 88.730 2.091 -5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 73 87.561 2.250 -4.047 1.00 0.00 H new ATOM 1312 N GLU A 74 89.350 -0.257 -9.292 1.00 0.00 N ATOM 1313 CA GLU A 74 90.514 -1.046 -9.689 1.00 0.00 C ATOM 1314 C GLU A 74 90.667 -2.241 -8.750 1.00 0.00 C ATOM 1315 O GLU A 74 91.777 -2.623 -8.388 1.00 0.00 O ATOM 1316 CB GLU A 74 91.783 -0.187 -9.640 1.00 0.00 C ATOM 1317 CG GLU A 74 91.915 0.603 -10.940 1.00 0.00 C ATOM 1318 CD GLU A 74 92.335 -0.328 -12.073 1.00 0.00 C ATOM 1319 OE1 GLU A 74 92.686 -1.461 -11.785 1.00 0.00 O ATOM 1320 OE2 GLU A 74 92.298 0.104 -13.213 1.00 0.00 O ATOM 0 H GLU A 74 89.280 -0.082 -8.290 1.00 0.00 H new ATOM 0 HA GLU A 74 90.368 -1.399 -10.710 1.00 0.00 H new ATOM 0 HB2 GLU A 74 91.741 0.495 -8.791 1.00 0.00 H new ATOM 0 HB3 GLU A 74 92.658 -0.821 -9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 74 90.966 1.081 -11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 74 92.651 1.398 -10.819 1.00 0.00 H new ATOM 1327 N CYS A 75 89.539 -2.832 -8.371 1.00 0.00 N ATOM 1328 CA CYS A 75 89.555 -3.981 -7.475 1.00 0.00 C ATOM 1329 C CYS A 75 89.654 -5.292 -8.250 1.00 0.00 C ATOM 1330 O CYS A 75 89.183 -5.397 -9.381 1.00 0.00 O ATOM 1331 CB CYS A 75 88.291 -3.988 -6.618 1.00 0.00 C ATOM 1332 SG CYS A 75 88.340 -2.598 -5.458 1.00 0.00 S ATOM 0 H CYS A 75 88.609 -2.537 -8.668 1.00 0.00 H new ATOM 0 HA CYS A 75 90.434 -3.896 -6.837 1.00 0.00 H new ATOM 0 HB2 CYS A 75 87.408 -3.915 -7.253 1.00 0.00 H new ATOM 0 HB3 CYS A 75 88.214 -4.928 -6.072 1.00 0.00 H new ATOM 0 HG CYS A 75 87.263 -2.602 -4.730 1.00 0.00 H new ATOM 1338 N GLU A 76 90.280 -6.287 -7.629 1.00 0.00 N ATOM 1339 CA GLU A 76 90.449 -7.594 -8.251 1.00 0.00 C ATOM 1340 C GLU A 76 90.062 -8.709 -7.280 1.00 0.00 C ATOM 1341 O GLU A 76 89.711 -8.449 -6.126 1.00 0.00 O ATOM 1342 CB GLU A 76 91.893 -7.789 -8.710 1.00 0.00 C ATOM 1343 CG GLU A 76 92.185 -6.859 -9.889 1.00 0.00 C ATOM 1344 CD GLU A 76 93.665 -6.924 -10.246 1.00 0.00 C ATOM 1345 OE1 GLU A 76 94.409 -7.531 -9.493 1.00 0.00 O ATOM 1346 OE2 GLU A 76 94.035 -6.367 -11.266 1.00 0.00 O ATOM 0 H GLU A 76 90.679 -6.212 -6.693 1.00 0.00 H new ATOM 0 HA GLU A 76 89.792 -7.639 -9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 76 92.578 -7.578 -7.889 1.00 0.00 H new ATOM 0 HB3 GLU A 76 92.056 -8.826 -9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 76 91.581 -7.148 -10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 76 91.908 -5.836 -9.634 1.00 0.00 H new ATOM 1353 N ASP A 77 90.118 -9.946 -7.757 1.00 0.00 N ATOM 1354 CA ASP A 77 89.760 -11.089 -6.926 1.00 0.00 C ATOM 1355 C ASP A 77 90.450 -10.985 -5.566 1.00 0.00 C ATOM 1356 O ASP A 77 90.006 -11.589 -4.584 1.00 0.00 O ATOM 1357 CB ASP A 77 90.188 -12.386 -7.619 1.00 0.00 C ATOM 1358 CG ASP A 77 89.260 -12.679 -8.793 1.00 0.00 C ATOM 1359 OD1 ASP A 77 88.262 -11.990 -8.919 1.00 0.00 O ATOM 1360 OD2 ASP A 77 89.557 -13.595 -9.543 1.00 0.00 O ATOM 0 H ASP A 77 90.405 -10.183 -8.707 1.00 0.00 H new ATOM 0 HA ASP A 77 88.680 -11.095 -6.779 1.00 0.00 H new ATOM 0 HB2 ASP A 77 91.216 -12.299 -7.970 1.00 0.00 H new ATOM 0 HB3 ASP A 77 90.163 -13.213 -6.909 1.00 0.00 H new ATOM 1365 N LYS A 78 91.528 -10.214 -5.514 1.00 0.00 N ATOM 1366 CA LYS A 78 92.263 -10.019 -4.272 1.00 0.00 C ATOM 1367 C LYS A 78 91.418 -9.252 -3.257 1.00 0.00 C ATOM 1368 O LYS A 78 91.493 -9.505 -2.048 1.00 0.00 O ATOM 1369 CB LYS A 78 93.547 -9.237 -4.541 1.00 0.00 C ATOM 1370 CG LYS A 78 94.518 -10.110 -5.340 1.00 0.00 C ATOM 1371 CD LYS A 78 95.587 -9.233 -5.996 1.00 0.00 C ATOM 1372 CE LYS A 78 96.450 -8.571 -4.919 1.00 0.00 C ATOM 1373 NZ LYS A 78 97.584 -7.856 -5.564 1.00 0.00 N ATOM 0 H LYS A 78 91.912 -9.714 -6.316 1.00 0.00 H new ATOM 0 HA LYS A 78 92.505 -11.001 -3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.321 -8.325 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 78 94.005 -8.933 -3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 78 94.988 -10.842 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 78 93.975 -10.669 -6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 78 96.211 -9.837 -6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 78 95.115 -8.471 -6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 78 95.850 -7.873 -4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 78 96.827 -9.323 -4.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 98.171 -7.406 -4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 98.161 -8.534 -6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 97.214 -7.128 -6.208 1.00 0.00 H new ATOM 1387 N GLU A 79 90.600 -8.323 -3.754 1.00 0.00 N ATOM 1388 CA GLU A 79 89.751 -7.521 -2.884 1.00 0.00 C ATOM 1389 C GLU A 79 88.516 -8.307 -2.476 1.00 0.00 C ATOM 1390 O GLU A 79 88.006 -8.146 -1.380 1.00 0.00 O ATOM 1391 CB GLU A 79 89.328 -6.239 -3.608 1.00 0.00 C ATOM 1392 CG GLU A 79 90.258 -5.092 -3.200 1.00 0.00 C ATOM 1393 CD GLU A 79 91.701 -5.440 -3.556 1.00 0.00 C ATOM 1394 OE1 GLU A 79 92.105 -5.134 -4.665 1.00 0.00 O ATOM 1395 OE2 GLU A 79 92.379 -6.006 -2.714 1.00 0.00 O ATOM 0 H GLU A 79 90.510 -8.111 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 79 90.316 -7.263 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 79 89.368 -6.388 -4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 79 88.296 -5.991 -3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 79 89.961 -4.174 -3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 79 90.173 -4.907 -2.129 1.00 0.00 H new ATOM 1402 N VAL A 80 88.042 -9.163 -3.357 1.00 0.00 N ATOM 1403 CA VAL A 80 86.867 -9.964 -3.046 1.00 0.00 C ATOM 1404 C VAL A 80 87.133 -10.848 -1.828 1.00 0.00 C ATOM 1405 O VAL A 80 86.289 -10.959 -0.934 1.00 0.00 O ATOM 1406 CB VAL A 80 86.527 -10.853 -4.237 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.404 -11.815 -3.860 1.00 0.00 C ATOM 1408 CG2 VAL A 80 86.074 -9.977 -5.402 1.00 0.00 C ATOM 0 H VAL A 80 88.442 -9.324 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 80 86.035 -9.294 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 80 87.408 -11.426 -4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 80 85.165 -12.448 -4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.724 -12.438 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.520 -11.247 -3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 80 85.829 -10.607 -6.257 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.193 -9.407 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 80 86.876 -9.291 -5.674 1.00 0.00 H new ATOM 1418 N HIS A 81 88.279 -11.504 -1.822 1.00 0.00 N ATOM 1419 CA HIS A 81 88.614 -12.410 -0.726 1.00 0.00 C ATOM 1420 C HIS A 81 88.788 -11.688 0.601 1.00 0.00 C ATOM 1421 O HIS A 81 88.259 -12.119 1.627 1.00 0.00 O ATOM 1422 CB HIS A 81 89.924 -13.142 -1.041 1.00 0.00 C ATOM 1423 CG HIS A 81 90.210 -14.160 0.033 1.00 0.00 C ATOM 1424 ND1 HIS A 81 90.856 -13.826 1.213 1.00 0.00 N ATOM 1425 CD2 HIS A 81 89.948 -15.505 0.116 1.00 0.00 C ATOM 1426 CE1 HIS A 81 90.959 -14.948 1.951 1.00 0.00 C ATOM 1427 NE2 HIS A 81 90.421 -16.000 1.328 1.00 0.00 N ATOM 0 H HIS A 81 88.989 -11.432 -2.551 1.00 0.00 H new ATOM 0 HA HIS A 81 87.780 -13.106 -0.632 1.00 0.00 H new ATOM 0 HB2 HIS A 81 89.853 -13.634 -2.011 1.00 0.00 H new ATOM 0 HB3 HIS A 81 90.744 -12.427 -1.105 1.00 0.00 H new ATOM 0 HD2 HIS A 81 89.451 -16.090 -0.643 1.00 0.00 H new ATOM 0 HE1 HIS A 81 91.420 -14.992 2.927 1.00 0.00 H new ATOM 0 HE2 HIS A 81 90.368 -16.960 1.668 1.00 0.00 H new ATOM 1435 N LYS A 82 89.522 -10.582 0.578 1.00 0.00 N ATOM 1436 CA LYS A 82 89.763 -9.815 1.795 1.00 0.00 C ATOM 1437 C LYS A 82 88.535 -9.019 2.212 1.00 0.00 C ATOM 1438 O LYS A 82 88.411 -8.612 3.368 1.00 0.00 O ATOM 1439 CB LYS A 82 90.955 -8.887 1.594 1.00 0.00 C ATOM 1440 CG LYS A 82 90.642 -7.894 0.487 1.00 0.00 C ATOM 1441 CD LYS A 82 90.649 -6.466 1.033 1.00 0.00 C ATOM 1442 CE LYS A 82 92.092 -6.014 1.240 1.00 0.00 C ATOM 1443 NZ LYS A 82 92.700 -5.684 -0.078 1.00 0.00 N ATOM 0 H LYS A 82 89.957 -10.199 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 82 89.983 -10.518 2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.177 -8.357 2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.842 -9.467 1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.377 -7.988 -0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 82 89.668 -8.119 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 82 90.142 -5.796 0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 82 90.103 -6.422 1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.122 -5.143 1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.665 -6.801 1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 93.623 -6.155 -0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.073 -6.011 -0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 92.829 -4.655 -0.153 1.00 0.00 H new ATOM 1457 N VAL A 83 87.638 -8.792 1.264 1.00 0.00 N ATOM 1458 CA VAL A 83 86.418 -8.043 1.539 1.00 0.00 C ATOM 1459 C VAL A 83 85.304 -8.971 2.003 1.00 0.00 C ATOM 1460 O VAL A 83 85.087 -10.031 1.417 1.00 0.00 O ATOM 1461 CB VAL A 83 85.968 -7.292 0.288 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.604 -6.655 0.538 1.00 0.00 C ATOM 1463 CG2 VAL A 83 86.985 -6.197 -0.035 1.00 0.00 C ATOM 0 H VAL A 83 87.730 -9.114 0.300 1.00 0.00 H new ATOM 0 HA VAL A 83 86.632 -7.329 2.334 1.00 0.00 H new ATOM 0 HB VAL A 83 85.896 -7.987 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.283 -6.119 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 83 83.877 -7.432 0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.675 -5.958 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.668 -5.658 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 83 87.052 -5.503 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 83 87.962 -6.648 -0.211 1.00 0.00 H new ATOM 1473 N LYS A 84 84.604 -8.569 3.058 1.00 0.00 N ATOM 1474 CA LYS A 84 83.510 -9.377 3.592 1.00 0.00 C ATOM 1475 C LYS A 84 82.168 -8.759 3.216 1.00 0.00 C ATOM 1476 O LYS A 84 82.097 -7.577 2.870 1.00 0.00 O ATOM 1477 CB LYS A 84 83.623 -9.479 5.113 1.00 0.00 C ATOM 1478 CG LYS A 84 84.955 -10.113 5.483 1.00 0.00 C ATOM 1479 CD LYS A 84 85.051 -10.220 7.004 1.00 0.00 C ATOM 1480 CE LYS A 84 86.481 -10.570 7.391 1.00 0.00 C ATOM 1481 NZ LYS A 84 86.595 -10.650 8.877 1.00 0.00 N ATOM 0 H LYS A 84 84.771 -7.696 3.558 1.00 0.00 H new ATOM 0 HA LYS A 84 83.575 -10.377 3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 84 83.543 -8.489 5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 84 82.802 -10.076 5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 84 85.040 -11.101 5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 84 85.778 -9.513 5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 84 84.757 -9.278 7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 84 84.365 -10.983 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 84 86.767 -11.522 6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 84 87.167 -9.817 7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 87.573 -10.889 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 86.340 -9.732 9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 85.952 -11.384 9.235 1.00 0.00 H new ATOM 1495 N VAL A 85 81.107 -9.565 3.268 1.00 0.00 N ATOM 1496 CA VAL A 85 79.778 -9.077 2.917 1.00 0.00 C ATOM 1497 C VAL A 85 78.799 -9.330 4.062 1.00 0.00 C ATOM 1498 O VAL A 85 78.542 -10.475 4.431 1.00 0.00 O ATOM 1499 CB VAL A 85 79.283 -9.788 1.657 1.00 0.00 C ATOM 1500 CG1 VAL A 85 78.055 -9.065 1.103 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.390 -9.792 0.607 1.00 0.00 C ATOM 0 H VAL A 85 81.142 -10.546 3.546 1.00 0.00 H new ATOM 0 HA VAL A 85 79.837 -8.004 2.732 1.00 0.00 H new ATOM 0 HB VAL A 85 79.013 -10.814 1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.706 -9.576 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.263 -9.067 1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.319 -8.037 0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 85 80.038 -10.299 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.662 -8.766 0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.262 -10.315 1.000 1.00 0.00 H new ATOM 1511 N TYR A 86 78.253 -8.254 4.616 1.00 0.00 N ATOM 1512 CA TYR A 86 77.304 -8.371 5.717 1.00 0.00 C ATOM 1513 C TYR A 86 75.946 -8.843 5.204 1.00 0.00 C ATOM 1514 O TYR A 86 75.526 -8.483 4.105 1.00 0.00 O ATOM 1515 CB TYR A 86 77.155 -7.020 6.418 1.00 0.00 C ATOM 1516 CG TYR A 86 76.076 -6.214 5.737 1.00 0.00 C ATOM 1517 CD1 TYR A 86 76.129 -6.004 4.358 1.00 0.00 C ATOM 1518 CD2 TYR A 86 75.022 -5.682 6.484 1.00 0.00 C ATOM 1519 CE1 TYR A 86 75.129 -5.261 3.721 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.019 -4.937 5.852 1.00 0.00 C ATOM 1521 CZ TYR A 86 74.073 -4.725 4.468 1.00 0.00 C ATOM 1522 OH TYR A 86 73.087 -3.992 3.844 1.00 0.00 O ATOM 0 H TYR A 86 78.449 -7.297 4.324 1.00 0.00 H new ATOM 0 HA TYR A 86 77.682 -9.106 6.428 1.00 0.00 H new ATOM 0 HB2 TYR A 86 76.904 -7.169 7.468 1.00 0.00 H new ATOM 0 HB3 TYR A 86 78.100 -6.478 6.390 1.00 0.00 H new ATOM 0 HD1 TYR A 86 76.944 -6.416 3.781 1.00 0.00 H new ATOM 0 HD2 TYR A 86 74.981 -5.846 7.551 1.00 0.00 H new ATOM 0 HE1 TYR A 86 75.172 -5.101 2.654 1.00 0.00 H new ATOM 0 HE2 TYR A 86 73.205 -4.526 6.431 1.00 0.00 H new ATOM 0 HH TYR A 86 73.481 -3.463 3.119 1.00 0.00 H new ATOM 1532 N VAL A 87 75.268 -9.660 6.003 1.00 0.00 N ATOM 1533 CA VAL A 87 73.959 -10.175 5.621 1.00 0.00 C ATOM 1534 C VAL A 87 72.936 -9.933 6.729 1.00 0.00 C ATOM 1535 O VAL A 87 73.149 -10.307 7.883 1.00 0.00 O ATOM 1536 CB VAL A 87 74.052 -11.672 5.324 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.682 -11.885 3.946 1.00 0.00 C ATOM 1538 CG2 VAL A 87 74.926 -12.344 6.387 1.00 0.00 C ATOM 0 H VAL A 87 75.601 -9.978 6.913 1.00 0.00 H new ATOM 0 HA VAL A 87 73.632 -9.647 4.725 1.00 0.00 H new ATOM 0 HB VAL A 87 73.053 -12.107 5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.747 -12.953 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 87 74.067 -11.403 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 87 75.682 -11.451 3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 87 74.995 -13.412 6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 87 75.924 -11.905 6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 87 74.482 -12.194 7.371 1.00 0.00 H new ATOM 1548 N TYR A 88 71.820 -9.308 6.367 1.00 0.00 N ATOM 1549 CA TYR A 88 70.768 -9.026 7.336 1.00 0.00 C ATOM 1550 C TYR A 88 70.080 -10.317 7.765 1.00 0.00 C ATOM 1551 O TYR A 88 70.501 -11.369 7.310 1.00 0.00 O ATOM 1552 CB TYR A 88 69.739 -8.073 6.732 1.00 0.00 C ATOM 1553 CG TYR A 88 68.927 -8.804 5.692 1.00 0.00 C ATOM 1554 CD1 TYR A 88 69.385 -8.878 4.373 1.00 0.00 C ATOM 1555 CD2 TYR A 88 67.716 -9.409 6.049 1.00 0.00 C ATOM 1556 CE1 TYR A 88 68.631 -9.556 3.407 1.00 0.00 C ATOM 1557 CE2 TYR A 88 66.962 -10.087 5.084 1.00 0.00 C ATOM 1558 CZ TYR A 88 67.419 -10.161 3.763 1.00 0.00 C ATOM 1559 OH TYR A 88 66.677 -10.830 2.810 1.00 0.00 O ATOM 1560 OXT TYR A 88 69.146 -10.238 8.545 1.00 0.00 O ATOM 0 H TYR A 88 71.622 -8.990 5.418 1.00 0.00 H new ATOM 0 HA TYR A 88 71.221 -8.559 8.210 1.00 0.00 H new ATOM 0 HB2 TYR A 88 69.085 -7.685 7.513 1.00 0.00 H new ATOM 0 HB3 TYR A 88 70.241 -7.217 6.281 1.00 0.00 H new ATOM 0 HD1 TYR A 88 70.320 -8.412 4.099 1.00 0.00 H new ATOM 0 HD2 TYR A 88 67.364 -9.353 7.068 1.00 0.00 H new ATOM 0 HE1 TYR A 88 68.984 -9.612 2.388 1.00 0.00 H new ATOM 0 HE2 TYR A 88 66.027 -10.553 5.359 1.00 0.00 H new ATOM 0 HH TYR A 88 65.865 -11.192 3.222 1.00 0.00 H new TER 1570 TYR A 88