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 38 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 42 LYS NZ :NH3+ 136:sc= 0.0811 (180deg=-1.19) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 10 SER OG : rot -20:sc= 0.482 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -2 SER OG : rot 53:sc= 0.158! USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= 0.34 (180deg=0.0607) USER MOD Single : A 16 LYS NZ :NH3+ 151:sc= -0.0818 (180deg=-0.603) USER MOD Single : A 18 SER OG : rot -25:sc= 0.282 USER MOD Single : A 23 ASN :FLIP amide:sc= -2.32! C(o=-5.4!,f=-2.3!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -2.66 F(o=-3.8!,f=-2.7) USER MOD Single : A 29 GLN : amide:sc= -0.24 K(o=-0.24,f=-0.88) USER MOD Single : A 32 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 39 LYS NZ :NH3+ 138:sc= -0.94 (180deg=-1.18) USER MOD Single : A 40 GLN : amide:sc= -0.0125 K(o=-0.012,f=-0.86) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 46 MET CE :methyl -132:sc= -0.103 (180deg=-3.24!) USER MOD Single : A 53 THR OG1 : rot 121:sc= 1.18 USER MOD Single : A 55 TYR OH : rot -33:sc= 0.119 USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= -0.496! (180deg=-0.905!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -2.71 K(o=-2.7,f=-3.9) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 65 THR OG1 : rot -140:sc= -0.553 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -95:sc= 0.581 USER MOD Single : A 70 ASN :FLIP amide:sc= -11! C(o=-12!,f=-11!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 CYS SG : rot 180:sc= -2.71 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0484 X(o=-0.048,f=-0.0041) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot -112:sc= 1.18 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 67.901 15.282 18.224 1.00 0.00 N ATOM 2 CA GLY A -3 68.685 14.021 18.355 1.00 0.00 C ATOM 3 C GLY A -3 68.081 13.156 19.456 1.00 0.00 C ATOM 4 O GLY A -3 68.037 13.557 20.620 1.00 0.00 O ATOM 0 H1 GLY A -3 68.314 15.871 17.473 1.00 0.00 H new ATOM 0 H2 GLY A -3 66.915 15.054 17.983 1.00 0.00 H new ATOM 0 H3 GLY A -3 67.926 15.802 19.125 1.00 0.00 H new ATOM 0 HA2 GLY A -3 68.682 13.479 17.409 1.00 0.00 H new ATOM 0 HA3 GLY A -3 69.725 14.250 18.588 1.00 0.00 H new ATOM 10 N SER A -2 67.618 11.969 19.082 1.00 0.00 N ATOM 11 CA SER A -2 67.020 11.053 20.047 1.00 0.00 C ATOM 12 C SER A -2 66.012 11.783 20.931 1.00 0.00 C ATOM 13 O SER A -2 66.327 12.175 22.053 1.00 0.00 O ATOM 14 CB SER A -2 68.110 10.433 20.920 1.00 0.00 C ATOM 15 OG SER A -2 69.158 11.374 21.103 1.00 0.00 O ATOM 0 H SER A -2 67.644 11.619 18.124 1.00 0.00 H new ATOM 0 HA SER A -2 66.501 10.267 19.499 1.00 0.00 H new ATOM 0 HB2 SER A -2 67.696 10.140 21.885 1.00 0.00 H new ATOM 0 HB3 SER A -2 68.496 9.528 20.451 1.00 0.00 H new ATOM 0 HG SER A -2 68.786 12.217 21.437 1.00 0.00 H new ATOM 21 N HIS A -1 64.799 11.957 20.416 1.00 0.00 N ATOM 22 CA HIS A -1 63.751 12.635 21.169 1.00 0.00 C ATOM 23 C HIS A -1 63.394 11.843 22.422 1.00 0.00 C ATOM 24 O HIS A -1 63.155 12.417 23.485 1.00 0.00 O ATOM 25 CB HIS A -1 62.508 12.807 20.297 1.00 0.00 C ATOM 26 CG HIS A -1 62.780 13.832 19.229 1.00 0.00 C ATOM 27 ND1 HIS A -1 62.764 15.193 19.489 1.00 0.00 N ATOM 28 CD2 HIS A -1 63.081 13.708 17.894 1.00 0.00 C ATOM 29 CE1 HIS A -1 63.045 15.830 18.339 1.00 0.00 C ATOM 30 NE2 HIS A -1 63.247 14.972 17.334 1.00 0.00 N ATOM 0 H HIS A -1 64.519 11.641 19.488 1.00 0.00 H new ATOM 0 HA HIS A -1 64.121 13.616 21.468 1.00 0.00 H new ATOM 0 HB2 HIS A -1 62.236 11.855 19.841 1.00 0.00 H new ATOM 0 HB3 HIS A -1 61.662 13.120 20.909 1.00 0.00 H new ATOM 0 HD2 HIS A -1 63.174 12.773 17.361 1.00 0.00 H new ATOM 0 HE1 HIS A -1 63.101 16.904 18.239 1.00 0.00 H new ATOM 0 HE2 HIS A -1 63.474 15.195 16.365 1.00 0.00 H new ATOM 38 N MET A 0 63.360 10.520 22.288 1.00 0.00 N ATOM 39 CA MET A 0 63.030 9.654 23.414 1.00 0.00 C ATOM 40 C MET A 0 63.997 8.477 23.485 1.00 0.00 C ATOM 41 O MET A 0 65.181 8.617 23.176 1.00 0.00 O ATOM 42 CB MET A 0 61.599 9.132 23.271 1.00 0.00 C ATOM 43 CG MET A 0 61.043 8.781 24.652 1.00 0.00 C ATOM 44 SD MET A 0 59.871 7.410 24.501 1.00 0.00 S ATOM 45 CE MET A 0 59.425 7.299 26.251 1.00 0.00 C ATOM 0 H MET A 0 63.556 10.027 21.417 1.00 0.00 H new ATOM 0 HA MET A 0 63.114 10.236 24.332 1.00 0.00 H new ATOM 0 HB2 MET A 0 60.972 9.886 22.796 1.00 0.00 H new ATOM 0 HB3 MET A 0 61.584 8.253 22.627 1.00 0.00 H new ATOM 0 HG2 MET A 0 61.856 8.506 25.324 1.00 0.00 H new ATOM 0 HG3 MET A 0 60.549 9.649 25.088 1.00 0.00 H new ATOM 0 HE1 MET A 0 58.697 6.500 26.391 1.00 0.00 H new ATOM 0 HE2 MET A 0 60.316 7.085 26.841 1.00 0.00 H new ATOM 0 HE3 MET A 0 58.993 8.245 26.577 1.00 0.00 H new ATOM 55 N MET A 1 63.486 7.320 23.892 1.00 0.00 N ATOM 56 CA MET A 1 64.315 6.123 23.998 1.00 0.00 C ATOM 57 C MET A 1 64.046 5.182 22.829 1.00 0.00 C ATOM 58 O MET A 1 62.898 4.965 22.446 1.00 0.00 O ATOM 59 CB MET A 1 64.022 5.402 25.316 1.00 0.00 C ATOM 60 CG MET A 1 64.368 6.319 26.490 1.00 0.00 C ATOM 61 SD MET A 1 63.928 5.502 28.044 1.00 0.00 S ATOM 62 CE MET A 1 64.358 6.869 29.149 1.00 0.00 C ATOM 0 H MET A 1 62.509 7.185 24.152 1.00 0.00 H new ATOM 0 HA MET A 1 65.363 6.423 23.974 1.00 0.00 H new ATOM 0 HB2 MET A 1 62.971 5.118 25.361 1.00 0.00 H new ATOM 0 HB3 MET A 1 64.604 4.482 25.376 1.00 0.00 H new ATOM 0 HG2 MET A 1 65.432 6.555 26.480 1.00 0.00 H new ATOM 0 HG3 MET A 1 63.831 7.263 26.398 1.00 0.00 H new ATOM 0 HE1 MET A 1 64.162 6.578 30.181 1.00 0.00 H new ATOM 0 HE2 MET A 1 65.415 7.111 29.035 1.00 0.00 H new ATOM 0 HE3 MET A 1 63.757 7.743 28.898 1.00 0.00 H new ATOM 72 N ALA A 2 65.115 4.628 22.265 1.00 0.00 N ATOM 73 CA ALA A 2 64.980 3.713 21.137 1.00 0.00 C ATOM 74 C ALA A 2 64.218 2.460 21.553 1.00 0.00 C ATOM 75 O ALA A 2 64.444 1.915 22.634 1.00 0.00 O ATOM 76 CB ALA A 2 66.366 3.321 20.618 1.00 0.00 C ATOM 0 H ALA A 2 66.075 4.794 22.567 1.00 0.00 H new ATOM 0 HA ALA A 2 64.424 4.217 20.347 1.00 0.00 H new ATOM 0 HB1 ALA A 2 66.259 2.638 19.776 1.00 0.00 H new ATOM 0 HB2 ALA A 2 66.900 4.215 20.295 1.00 0.00 H new ATOM 0 HB3 ALA A 2 66.927 2.831 21.414 1.00 0.00 H new ATOM 82 N THR A 3 63.314 2.007 20.690 1.00 0.00 N ATOM 83 CA THR A 3 62.527 0.816 20.983 1.00 0.00 C ATOM 84 C THR A 3 63.277 -0.444 20.562 1.00 0.00 C ATOM 85 O THR A 3 63.126 -1.502 21.174 1.00 0.00 O ATOM 86 CB THR A 3 61.189 0.885 20.242 1.00 0.00 C ATOM 87 OG1 THR A 3 61.427 0.927 18.842 1.00 0.00 O ATOM 88 CG2 THR A 3 60.429 2.142 20.671 1.00 0.00 C ATOM 0 H THR A 3 63.110 2.442 19.790 1.00 0.00 H new ATOM 0 HA THR A 3 62.351 0.775 22.058 1.00 0.00 H new ATOM 0 HB THR A 3 60.594 0.004 20.484 1.00 0.00 H new ATOM 0 HG1 THR A 3 60.571 0.969 18.366 1.00 0.00 H new ATOM 0 HG21 THR A 3 59.477 2.190 20.143 1.00 0.00 H new ATOM 0 HG22 THR A 3 60.247 2.108 21.745 1.00 0.00 H new ATOM 0 HG23 THR A 3 61.021 3.025 20.431 1.00 0.00 H new ATOM 96 N SER A 4 64.087 -0.322 19.516 1.00 0.00 N ATOM 97 CA SER A 4 64.860 -1.456 19.023 1.00 0.00 C ATOM 98 C SER A 4 65.992 -0.983 18.118 1.00 0.00 C ATOM 99 O SER A 4 65.863 0.030 17.429 1.00 0.00 O ATOM 100 CB SER A 4 63.951 -2.411 18.252 1.00 0.00 C ATOM 101 OG SER A 4 64.726 -3.496 17.757 1.00 0.00 O ATOM 0 H SER A 4 64.225 0.545 18.996 1.00 0.00 H new ATOM 0 HA SER A 4 65.291 -1.976 19.878 1.00 0.00 H new ATOM 0 HB2 SER A 4 63.158 -2.781 18.902 1.00 0.00 H new ATOM 0 HB3 SER A 4 63.469 -1.887 17.427 1.00 0.00 H new ATOM 0 HG SER A 4 64.147 -4.113 17.263 1.00 0.00 H new ATOM 107 N ASP A 5 67.096 -1.723 18.117 1.00 0.00 N ATOM 108 CA ASP A 5 68.242 -1.373 17.284 1.00 0.00 C ATOM 109 C ASP A 5 68.342 -2.323 16.096 1.00 0.00 C ATOM 110 O ASP A 5 68.076 -3.519 16.221 1.00 0.00 O ATOM 111 CB ASP A 5 69.529 -1.440 18.109 1.00 0.00 C ATOM 112 CG ASP A 5 69.555 -0.298 19.120 1.00 0.00 C ATOM 113 OD1 ASP A 5 68.761 0.617 18.970 1.00 0.00 O ATOM 114 OD2 ASP A 5 70.366 -0.355 20.028 1.00 0.00 O ATOM 0 H ASP A 5 67.222 -2.564 18.680 1.00 0.00 H new ATOM 0 HA ASP A 5 68.106 -0.357 16.914 1.00 0.00 H new ATOM 0 HB2 ASP A 5 69.591 -2.397 18.626 1.00 0.00 H new ATOM 0 HB3 ASP A 5 70.397 -1.376 17.452 1.00 0.00 H new ATOM 119 N VAL A 6 68.727 -1.787 14.943 1.00 0.00 N ATOM 120 CA VAL A 6 68.855 -2.603 13.742 1.00 0.00 C ATOM 121 C VAL A 6 70.260 -3.173 13.634 1.00 0.00 C ATOM 122 O VAL A 6 71.214 -2.442 13.373 1.00 0.00 O ATOM 123 CB VAL A 6 68.557 -1.754 12.505 1.00 0.00 C ATOM 124 CG1 VAL A 6 68.731 -2.603 11.244 1.00 0.00 C ATOM 125 CG2 VAL A 6 67.119 -1.238 12.579 1.00 0.00 C ATOM 0 H VAL A 6 68.954 -0.801 14.815 1.00 0.00 H new ATOM 0 HA VAL A 6 68.142 -3.425 13.804 1.00 0.00 H new ATOM 0 HB VAL A 6 69.247 -0.911 12.469 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.518 -1.996 10.364 1.00 0.00 H new ATOM 0 HG12 VAL A 6 69.756 -2.971 11.192 1.00 0.00 H new ATOM 0 HG13 VAL A 6 68.043 -3.448 11.277 1.00 0.00 H new ATOM 0 HG21 VAL A 6 66.904 -0.633 11.699 1.00 0.00 H new ATOM 0 HG22 VAL A 6 66.431 -2.083 12.616 1.00 0.00 H new ATOM 0 HG23 VAL A 6 66.996 -0.631 13.476 1.00 0.00 H new ATOM 135 N LYS A 7 70.377 -4.484 13.834 1.00 0.00 N ATOM 136 CA LYS A 7 71.674 -5.145 13.755 1.00 0.00 C ATOM 137 C LYS A 7 71.679 -6.192 12.639 1.00 0.00 C ATOM 138 O LYS A 7 70.646 -6.795 12.341 1.00 0.00 O ATOM 139 CB LYS A 7 71.995 -5.821 15.085 1.00 0.00 C ATOM 140 CG LYS A 7 72.106 -4.757 16.178 1.00 0.00 C ATOM 141 CD LYS A 7 72.342 -5.426 17.535 1.00 0.00 C ATOM 142 CE LYS A 7 71.002 -5.872 18.135 1.00 0.00 C ATOM 143 NZ LYS A 7 71.229 -6.425 19.496 1.00 0.00 N ATOM 0 H LYS A 7 69.596 -5.103 14.050 1.00 0.00 H new ATOM 0 HA LYS A 7 72.430 -4.391 13.535 1.00 0.00 H new ATOM 0 HB2 LYS A 7 71.216 -6.539 15.339 1.00 0.00 H new ATOM 0 HB3 LYS A 7 72.929 -6.378 15.007 1.00 0.00 H new ATOM 0 HG2 LYS A 7 72.926 -4.075 15.952 1.00 0.00 H new ATOM 0 HG3 LYS A 7 71.194 -4.160 16.211 1.00 0.00 H new ATOM 0 HD2 LYS A 7 73.002 -6.285 17.417 1.00 0.00 H new ATOM 0 HD3 LYS A 7 72.841 -4.732 18.211 1.00 0.00 H new ATOM 0 HE2 LYS A 7 70.314 -5.028 18.184 1.00 0.00 H new ATOM 0 HE3 LYS A 7 70.538 -6.625 17.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 70.321 -6.728 19.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 71.871 -7.241 19.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 71.654 -5.694 20.101 1.00 0.00 H new ATOM 157 N PRO A 8 72.814 -6.433 12.036 1.00 0.00 N ATOM 158 CA PRO A 8 72.954 -7.444 10.949 1.00 0.00 C ATOM 159 C PRO A 8 72.770 -8.871 11.461 1.00 0.00 C ATOM 160 O PRO A 8 72.973 -9.148 12.644 1.00 0.00 O ATOM 161 CB PRO A 8 74.378 -7.229 10.433 1.00 0.00 C ATOM 162 CG PRO A 8 75.115 -6.579 11.548 1.00 0.00 C ATOM 163 CD PRO A 8 74.088 -5.760 12.319 1.00 0.00 C ATOM 0 HA PRO A 8 72.194 -7.321 10.178 1.00 0.00 H new ATOM 0 HB2 PRO A 8 74.842 -8.176 10.157 1.00 0.00 H new ATOM 0 HB3 PRO A 8 74.381 -6.601 9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 8 75.581 -7.324 12.193 1.00 0.00 H new ATOM 0 HG3 PRO A 8 75.914 -5.942 11.167 1.00 0.00 H new ATOM 0 HD2 PRO A 8 74.306 -5.750 13.387 1.00 0.00 H new ATOM 0 HD3 PRO A 8 74.074 -4.722 11.987 1.00 0.00 H new ATOM 171 N LYS A 9 72.383 -9.770 10.562 1.00 0.00 N ATOM 172 CA LYS A 9 72.179 -11.163 10.933 1.00 0.00 C ATOM 173 C LYS A 9 73.504 -11.918 10.953 1.00 0.00 C ATOM 174 O LYS A 9 73.785 -12.674 11.883 1.00 0.00 O ATOM 175 CB LYS A 9 71.215 -11.830 9.946 1.00 0.00 C ATOM 176 CG LYS A 9 70.946 -13.273 10.385 1.00 0.00 C ATOM 177 CD LYS A 9 71.652 -14.234 9.430 1.00 0.00 C ATOM 178 CE LYS A 9 71.609 -15.651 10.007 1.00 0.00 C ATOM 179 NZ LYS A 9 72.436 -16.557 9.162 1.00 0.00 N ATOM 0 H LYS A 9 72.206 -9.560 9.580 1.00 0.00 H new ATOM 0 HA LYS A 9 71.750 -11.193 11.934 1.00 0.00 H new ATOM 0 HB2 LYS A 9 70.280 -11.272 9.903 1.00 0.00 H new ATOM 0 HB3 LYS A 9 71.640 -11.818 8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 9 71.303 -13.427 11.403 1.00 0.00 H new ATOM 0 HG3 LYS A 9 69.874 -13.470 10.390 1.00 0.00 H new ATOM 0 HD2 LYS A 9 71.169 -14.213 8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 9 72.686 -13.922 9.281 1.00 0.00 H new ATOM 0 HE2 LYS A 9 71.983 -15.650 11.031 1.00 0.00 H new ATOM 0 HE3 LYS A 9 70.580 -16.009 10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 72.407 -17.520 9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 72.060 -16.566 8.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 73.419 -16.218 9.149 1.00 0.00 H new ATOM 193 N SER A 10 74.314 -11.712 9.917 1.00 0.00 N ATOM 194 CA SER A 10 75.607 -12.380 9.820 1.00 0.00 C ATOM 195 C SER A 10 76.476 -11.719 8.756 1.00 0.00 C ATOM 196 O SER A 10 76.052 -10.777 8.089 1.00 0.00 O ATOM 197 CB SER A 10 75.412 -13.855 9.465 1.00 0.00 C ATOM 198 OG SER A 10 74.681 -14.496 10.503 1.00 0.00 O ATOM 0 H SER A 10 74.098 -11.091 9.137 1.00 0.00 H new ATOM 0 HA SER A 10 76.104 -12.299 10.787 1.00 0.00 H new ATOM 0 HB2 SER A 10 74.878 -13.946 8.519 1.00 0.00 H new ATOM 0 HB3 SER A 10 76.379 -14.340 9.333 1.00 0.00 H new ATOM 0 HG SER A 10 74.744 -13.965 11.324 1.00 0.00 H new ATOM 204 N ILE A 11 77.700 -12.215 8.611 1.00 0.00 N ATOM 205 CA ILE A 11 78.623 -11.677 7.620 1.00 0.00 C ATOM 206 C ILE A 11 79.276 -12.807 6.833 1.00 0.00 C ATOM 207 O ILE A 11 79.785 -13.766 7.414 1.00 0.00 O ATOM 208 CB ILE A 11 79.692 -10.817 8.295 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.025 -9.645 9.026 1.00 0.00 C ATOM 210 CG2 ILE A 11 80.659 -10.281 7.238 1.00 0.00 C ATOM 211 CD1 ILE A 11 78.865 -9.994 10.506 1.00 0.00 C ATOM 0 H ILE A 11 78.074 -12.985 9.165 1.00 0.00 H new ATOM 0 HA ILE A 11 78.059 -11.051 6.929 1.00 0.00 H new ATOM 0 HB ILE A 11 80.243 -11.423 9.015 1.00 0.00 H new ATOM 0 HG12 ILE A 11 79.628 -8.744 8.917 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.052 -9.433 8.584 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.421 -9.668 7.719 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.136 -11.116 6.725 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.110 -9.677 6.516 1.00 0.00 H new ATOM 0 HD11 ILE A 11 78.391 -9.162 11.027 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.244 -10.885 10.605 1.00 0.00 H new ATOM 0 HD13 ILE A 11 79.845 -10.185 10.943 1.00 0.00 H new ATOM 223 N SER A 12 79.255 -12.686 5.508 1.00 0.00 N ATOM 224 CA SER A 12 79.841 -13.699 4.636 1.00 0.00 C ATOM 225 C SER A 12 80.959 -13.098 3.794 1.00 0.00 C ATOM 226 O SER A 12 81.225 -11.900 3.864 1.00 0.00 O ATOM 227 CB SER A 12 78.771 -14.295 3.721 1.00 0.00 C ATOM 228 OG SER A 12 77.730 -14.848 4.516 1.00 0.00 O ATOM 0 H SER A 12 78.838 -11.896 5.015 1.00 0.00 H new ATOM 0 HA SER A 12 80.256 -14.489 5.262 1.00 0.00 H new ATOM 0 HB2 SER A 12 78.371 -13.526 3.061 1.00 0.00 H new ATOM 0 HB3 SER A 12 79.207 -15.065 3.085 1.00 0.00 H new ATOM 0 HG SER A 12 77.041 -15.230 3.933 1.00 0.00 H new ATOM 234 N ARG A 13 81.607 -13.941 2.994 1.00 0.00 N ATOM 235 CA ARG A 13 82.692 -13.482 2.134 1.00 0.00 C ATOM 236 C ARG A 13 82.282 -13.544 0.667 1.00 0.00 C ATOM 237 O ARG A 13 81.778 -14.564 0.196 1.00 0.00 O ATOM 238 CB ARG A 13 83.936 -14.340 2.350 1.00 0.00 C ATOM 239 CG ARG A 13 84.378 -14.234 3.811 1.00 0.00 C ATOM 240 CD ARG A 13 85.805 -14.760 3.946 1.00 0.00 C ATOM 241 NE ARG A 13 86.216 -14.753 5.346 1.00 0.00 N ATOM 242 CZ ARG A 13 87.460 -15.059 5.700 1.00 0.00 C ATOM 243 NH1 ARG A 13 88.341 -15.370 4.789 1.00 0.00 N ATOM 244 NH2 ARG A 13 87.802 -15.048 6.959 1.00 0.00 N ATOM 0 H ARG A 13 81.401 -14.938 2.924 1.00 0.00 H new ATOM 0 HA ARG A 13 82.915 -12.447 2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.723 -15.379 2.097 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.739 -14.009 1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 13 84.327 -13.197 4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 13 83.705 -14.807 4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 13 85.866 -15.772 3.547 1.00 0.00 H new ATOM 0 HD3 ARG A 13 86.484 -14.144 3.357 1.00 0.00 H new ATOM 0 HE ARG A 13 85.536 -14.509 6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 13 88.075 -15.378 3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 13 89.295 -15.605 5.062 1.00 0.00 H new ATOM 0 HH21 ARG A 13 87.115 -14.805 7.672 1.00 0.00 H new ATOM 0 HH22 ARG A 13 88.757 -15.283 7.230 1.00 0.00 H new ATOM 258 N ALA A 14 82.502 -12.448 -0.052 1.00 0.00 N ATOM 259 CA ALA A 14 82.154 -12.387 -1.467 1.00 0.00 C ATOM 260 C ALA A 14 83.031 -13.337 -2.274 1.00 0.00 C ATOM 261 O ALA A 14 84.188 -13.572 -1.925 1.00 0.00 O ATOM 262 CB ALA A 14 82.326 -10.963 -1.983 1.00 0.00 C ATOM 0 H ALA A 14 82.918 -11.594 0.320 1.00 0.00 H new ATOM 0 HA ALA A 14 81.113 -12.689 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.064 -10.925 -3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 14 81.674 -10.292 -1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 14 83.363 -10.652 -1.854 1.00 0.00 H new ATOM 268 N LYS A 15 82.476 -13.885 -3.351 1.00 0.00 N ATOM 269 CA LYS A 15 83.222 -14.813 -4.191 1.00 0.00 C ATOM 270 C LYS A 15 83.839 -14.079 -5.371 1.00 0.00 C ATOM 271 O LYS A 15 84.960 -14.385 -5.782 1.00 0.00 O ATOM 272 CB LYS A 15 82.286 -15.904 -4.707 1.00 0.00 C ATOM 273 CG LYS A 15 81.508 -16.517 -3.538 1.00 0.00 C ATOM 274 CD LYS A 15 82.476 -17.196 -2.566 1.00 0.00 C ATOM 275 CE LYS A 15 81.700 -18.132 -1.641 1.00 0.00 C ATOM 276 NZ LYS A 15 80.771 -17.333 -0.793 1.00 0.00 N ATOM 0 H LYS A 15 81.521 -13.704 -3.660 1.00 0.00 H new ATOM 0 HA LYS A 15 84.018 -15.262 -3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.593 -15.486 -5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 15 82.860 -16.677 -5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 15 80.943 -15.742 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 15 80.786 -17.243 -3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 15 83.229 -17.757 -3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 15 83.005 -16.445 -1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 15 81.139 -18.859 -2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 15 82.390 -18.695 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 80.527 -17.875 0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 81.232 -16.442 -0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 79.905 -17.124 -1.329 1.00 0.00 H new ATOM 290 N LYS A 16 83.107 -13.101 -5.907 1.00 0.00 N ATOM 291 CA LYS A 16 83.608 -12.327 -7.039 1.00 0.00 C ATOM 292 C LYS A 16 83.426 -10.829 -6.802 1.00 0.00 C ATOM 293 O LYS A 16 82.964 -10.408 -5.747 1.00 0.00 O ATOM 294 CB LYS A 16 82.890 -12.755 -8.320 1.00 0.00 C ATOM 295 CG LYS A 16 83.877 -12.805 -9.504 1.00 0.00 C ATOM 296 CD LYS A 16 83.258 -13.573 -10.676 1.00 0.00 C ATOM 297 CE LYS A 16 82.396 -12.625 -11.504 1.00 0.00 C ATOM 298 NZ LYS A 16 83.278 -11.673 -12.236 1.00 0.00 N ATOM 0 H LYS A 16 82.179 -12.830 -5.580 1.00 0.00 H new ATOM 0 HA LYS A 16 84.675 -12.523 -7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 16 82.434 -13.735 -8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 16 82.083 -12.057 -8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 16 84.132 -11.793 -9.817 1.00 0.00 H new ATOM 0 HG3 LYS A 16 84.805 -13.286 -9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 16 84.043 -14.005 -11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 16 82.654 -14.401 -10.304 1.00 0.00 H new ATOM 0 HE2 LYS A 16 81.787 -13.191 -12.209 1.00 0.00 H new ATOM 0 HE3 LYS A 16 81.710 -12.079 -10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 82.814 -11.379 -13.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 83.454 -10.837 -11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 84.182 -12.137 -12.457 1.00 0.00 H new ATOM 312 N TRP A 17 83.801 -10.038 -7.793 1.00 0.00 N ATOM 313 CA TRP A 17 83.691 -8.586 -7.688 1.00 0.00 C ATOM 314 C TRP A 17 82.416 -8.063 -8.334 1.00 0.00 C ATOM 315 O TRP A 17 82.063 -8.462 -9.443 1.00 0.00 O ATOM 316 CB TRP A 17 84.902 -7.925 -8.335 1.00 0.00 C ATOM 317 CG TRP A 17 84.654 -6.461 -8.457 1.00 0.00 C ATOM 318 CD1 TRP A 17 84.760 -5.566 -7.449 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.272 -5.702 -9.642 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.452 -4.317 -7.935 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.155 -4.343 -9.281 1.00 0.00 C ATOM 322 CE3 TRP A 17 84.019 -6.058 -10.979 1.00 0.00 C ATOM 323 CZ2 TRP A 17 83.797 -3.368 -10.214 1.00 0.00 C ATOM 324 CZ3 TRP A 17 83.660 -5.080 -11.920 1.00 0.00 C ATOM 325 CH2 TRP A 17 83.553 -3.736 -11.538 1.00 0.00 C ATOM 0 H TRP A 17 84.183 -10.371 -8.678 1.00 0.00 H new ATOM 0 HA TRP A 17 83.654 -8.336 -6.628 1.00 0.00 H new ATOM 0 HB2 TRP A 17 85.794 -8.106 -7.735 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.086 -8.358 -9.318 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.040 -5.794 -6.431 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.444 -3.470 -7.366 1.00 0.00 H new ATOM 0 HE3 TRP A 17 84.101 -7.091 -11.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 83.709 -2.335 -9.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 83.465 -5.365 -12.943 1.00 0.00 H new ATOM 0 HH2 TRP A 17 83.282 -2.986 -12.267 1.00 0.00 H new ATOM 336 N SER A 18 81.730 -7.164 -7.634 1.00 0.00 N ATOM 337 CA SER A 18 80.503 -6.585 -8.156 1.00 0.00 C ATOM 338 C SER A 18 80.178 -5.278 -7.439 1.00 0.00 C ATOM 339 O SER A 18 80.670 -5.023 -6.339 1.00 0.00 O ATOM 340 CB SER A 18 79.345 -7.564 -7.983 1.00 0.00 C ATOM 341 OG SER A 18 79.714 -8.826 -8.525 1.00 0.00 O ATOM 0 H SER A 18 82.003 -6.825 -6.711 1.00 0.00 H new ATOM 0 HA SER A 18 80.647 -6.379 -9.217 1.00 0.00 H new ATOM 0 HB2 SER A 18 79.095 -7.667 -6.927 1.00 0.00 H new ATOM 0 HB3 SER A 18 78.455 -7.185 -8.485 1.00 0.00 H new ATOM 0 HG SER A 18 80.400 -8.698 -9.213 1.00 0.00 H new ATOM 347 N GLU A 19 79.350 -4.456 -8.068 1.00 0.00 N ATOM 348 CA GLU A 19 78.971 -3.180 -7.479 1.00 0.00 C ATOM 349 C GLU A 19 78.601 -3.370 -6.010 1.00 0.00 C ATOM 350 O GLU A 19 78.767 -2.460 -5.192 1.00 0.00 O ATOM 351 CB GLU A 19 77.775 -2.591 -8.235 1.00 0.00 C ATOM 352 CG GLU A 19 77.467 -1.182 -7.714 1.00 0.00 C ATOM 353 CD GLU A 19 76.665 -1.260 -6.415 1.00 0.00 C ATOM 354 OE1 GLU A 19 75.952 -2.234 -6.234 1.00 0.00 O ATOM 355 OE2 GLU A 19 76.778 -0.344 -5.618 1.00 0.00 O ATOM 0 H GLU A 19 78.931 -4.647 -8.978 1.00 0.00 H new ATOM 0 HA GLU A 19 79.817 -2.496 -7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 19 77.992 -2.553 -9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 19 76.903 -3.233 -8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 19 78.396 -0.639 -7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.905 -0.625 -8.463 1.00 0.00 H new ATOM 362 N GLU A 20 78.116 -4.561 -5.679 1.00 0.00 N ATOM 363 CA GLU A 20 77.746 -4.857 -4.302 1.00 0.00 C ATOM 364 C GLU A 20 78.984 -4.924 -3.414 1.00 0.00 C ATOM 365 O GLU A 20 78.996 -4.385 -2.320 1.00 0.00 O ATOM 366 CB GLU A 20 77.003 -6.194 -4.243 1.00 0.00 C ATOM 367 CG GLU A 20 75.632 -6.050 -4.911 1.00 0.00 C ATOM 368 CD GLU A 20 75.795 -5.984 -6.427 1.00 0.00 C ATOM 369 OE1 GLU A 20 76.843 -6.379 -6.911 1.00 0.00 O ATOM 370 OE2 GLU A 20 74.869 -5.534 -7.082 1.00 0.00 O ATOM 0 H GLU A 20 77.971 -5.328 -6.336 1.00 0.00 H new ATOM 0 HA GLU A 20 77.098 -4.059 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 20 77.584 -6.967 -4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 20 76.882 -6.509 -3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 20 74.997 -6.894 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.135 -5.149 -4.551 1.00 0.00 H new ATOM 377 N ILE A 21 80.026 -5.587 -3.894 1.00 0.00 N ATOM 378 CA ILE A 21 81.248 -5.715 -3.107 1.00 0.00 C ATOM 379 C ILE A 21 81.956 -4.376 -3.036 1.00 0.00 C ATOM 380 O ILE A 21 82.185 -3.844 -1.945 1.00 0.00 O ATOM 381 CB ILE A 21 82.169 -6.766 -3.738 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.319 -7.937 -4.239 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.187 -7.276 -2.706 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.357 -8.393 -3.141 1.00 0.00 C ATOM 0 H ILE A 21 80.053 -6.038 -4.808 1.00 0.00 H new ATOM 0 HA ILE A 21 80.991 -6.034 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 21 82.711 -6.314 -4.569 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.758 -7.637 -5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 21 81.964 -8.764 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.833 -8.021 -3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.792 -6.443 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.659 -7.726 -1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.757 -9.226 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 21 80.926 -8.711 -2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.702 -7.567 -2.865 1.00 0.00 H new ATOM 396 N GLU A 22 82.304 -3.836 -4.195 1.00 0.00 N ATOM 397 CA GLU A 22 82.994 -2.557 -4.246 1.00 0.00 C ATOM 398 C GLU A 22 82.404 -1.608 -3.219 1.00 0.00 C ATOM 399 O GLU A 22 83.132 -0.929 -2.493 1.00 0.00 O ATOM 400 CB GLU A 22 82.851 -1.962 -5.652 1.00 0.00 C ATOM 401 CG GLU A 22 82.939 -0.434 -5.603 1.00 0.00 C ATOM 402 CD GLU A 22 81.588 0.165 -5.211 1.00 0.00 C ATOM 403 OE1 GLU A 22 80.575 -0.375 -5.628 1.00 0.00 O ATOM 404 OE2 GLU A 22 81.583 1.145 -4.487 1.00 0.00 O ATOM 0 H GLU A 22 82.122 -4.260 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 22 84.050 -2.705 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.633 -2.356 -6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 22 81.897 -2.263 -6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 22 83.701 -0.130 -4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 22 83.246 -0.050 -6.576 1.00 0.00 H new ATOM 411 N ASN A 23 81.081 -1.563 -3.169 1.00 0.00 N ATOM 412 CA ASN A 23 80.403 -0.691 -2.226 1.00 0.00 C ATOM 413 C ASN A 23 80.772 -1.052 -0.795 1.00 0.00 C ATOM 414 O ASN A 23 81.140 -0.192 -0.001 1.00 0.00 O ATOM 415 CB ASN A 23 78.892 -0.848 -2.390 1.00 0.00 C ATOM 416 CG ASN A 23 78.165 -0.023 -1.346 1.00 0.00 C ATOM 417 OD1 ASN A 23 78.117 -0.466 -0.123 1.00 0.00 O flip ATOM 418 ND2 ASN A 23 77.616 1.026 -1.654 1.00 0.00 N flip ATOM 0 H ASN A 23 80.462 -2.114 -3.764 1.00 0.00 H new ATOM 0 HA ASN A 23 80.708 0.336 -2.427 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.592 -0.531 -3.389 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.615 -1.898 -2.292 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.661 1.362 -2.616 1.00 0.00 H new ATOM 0 HD22 ASN A 23 77.113 1.565 -0.949 1.00 0.00 H new ATOM 425 N LEU A 24 80.674 -2.331 -0.471 1.00 0.00 N ATOM 426 CA LEU A 24 80.979 -2.776 0.879 1.00 0.00 C ATOM 427 C LEU A 24 82.367 -2.328 1.291 1.00 0.00 C ATOM 428 O LEU A 24 82.555 -1.846 2.397 1.00 0.00 O ATOM 429 CB LEU A 24 80.884 -4.302 0.974 1.00 0.00 C ATOM 430 CG LEU A 24 79.511 -4.718 1.520 1.00 0.00 C ATOM 431 CD1 LEU A 24 79.357 -4.259 2.972 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.414 -4.081 0.673 1.00 0.00 C ATOM 0 H LEU A 24 80.390 -3.070 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 24 80.249 -2.329 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 24 81.041 -4.745 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 24 81.672 -4.682 1.624 1.00 0.00 H new ATOM 0 HG LEU A 24 79.429 -5.804 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 24 78.379 -4.560 3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 24 80.136 -4.715 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 24 79.446 -3.174 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.438 -4.376 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.507 -2.996 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.511 -4.416 -0.360 1.00 0.00 H new ATOM 444 N TYR A 25 83.327 -2.480 0.400 1.00 0.00 N ATOM 445 CA TYR A 25 84.691 -2.078 0.700 1.00 0.00 C ATOM 446 C TYR A 25 84.770 -0.592 1.023 1.00 0.00 C ATOM 447 O TYR A 25 85.376 -0.202 2.017 1.00 0.00 O ATOM 448 CB TYR A 25 85.590 -2.380 -0.497 1.00 0.00 C ATOM 449 CG TYR A 25 86.954 -1.768 -0.274 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.861 -2.363 0.611 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.311 -0.599 -0.959 1.00 0.00 C ATOM 452 CE1 TYR A 25 89.122 -1.790 0.811 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.573 -0.027 -0.761 1.00 0.00 C ATOM 454 CZ TYR A 25 89.479 -0.623 0.126 1.00 0.00 C ATOM 455 OH TYR A 25 90.723 -0.059 0.324 1.00 0.00 O ATOM 0 H TYR A 25 83.192 -2.875 -0.531 1.00 0.00 H new ATOM 0 HA TYR A 25 85.025 -2.640 1.572 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.682 -3.458 -0.633 1.00 0.00 H new ATOM 0 HB3 TYR A 25 85.146 -1.980 -1.408 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.588 -3.264 1.139 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.611 -0.139 -1.641 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.821 -2.249 1.495 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.848 0.873 -1.291 1.00 0.00 H new ATOM 0 HH TYR A 25 90.809 0.746 -0.229 1.00 0.00 H new ATOM 465 N ARG A 26 84.169 0.233 0.176 1.00 0.00 N ATOM 466 CA ARG A 26 84.210 1.675 0.390 1.00 0.00 C ATOM 467 C ARG A 26 83.539 2.063 1.707 1.00 0.00 C ATOM 468 O ARG A 26 84.101 2.811 2.511 1.00 0.00 O ATOM 469 CB ARG A 26 83.490 2.379 -0.761 1.00 0.00 C ATOM 470 CG ARG A 26 84.275 2.186 -2.061 1.00 0.00 C ATOM 471 CD ARG A 26 83.662 3.055 -3.161 1.00 0.00 C ATOM 472 NE ARG A 26 84.336 2.808 -4.431 1.00 0.00 N ATOM 473 CZ ARG A 26 84.245 3.674 -5.435 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.549 4.768 -5.293 1.00 0.00 N ATOM 475 NH2 ARG A 26 84.856 3.432 -6.565 1.00 0.00 N ATOM 0 H ARG A 26 83.655 -0.064 -0.653 1.00 0.00 H new ATOM 0 HA ARG A 26 85.255 1.981 0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.483 1.978 -0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.388 3.442 -0.542 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.320 2.455 -1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.255 1.137 -2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.598 2.837 -3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 26 83.749 4.108 -2.894 1.00 0.00 H new ATOM 0 HE ARG A 26 84.886 1.957 -4.550 1.00 0.00 H new ATOM 0 HH11 ARG A 26 83.074 4.959 -4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.480 5.432 -6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.403 2.578 -6.676 1.00 0.00 H new ATOM 0 HH22 ARG A 26 84.786 4.097 -7.335 1.00 0.00 H new ATOM 489 N PHE A 27 82.339 1.541 1.936 1.00 0.00 N ATOM 490 CA PHE A 27 81.615 1.845 3.168 1.00 0.00 C ATOM 491 C PHE A 27 82.356 1.280 4.379 1.00 0.00 C ATOM 492 O PHE A 27 82.534 1.960 5.388 1.00 0.00 O ATOM 493 CB PHE A 27 80.196 1.281 3.092 1.00 0.00 C ATOM 494 CG PHE A 27 79.316 2.249 2.326 1.00 0.00 C ATOM 495 CD1 PHE A 27 78.646 3.268 3.008 1.00 0.00 C ATOM 496 CD2 PHE A 27 79.171 2.139 0.938 1.00 0.00 C ATOM 497 CE1 PHE A 27 77.836 4.162 2.303 1.00 0.00 C ATOM 498 CE2 PHE A 27 78.359 3.037 0.241 1.00 0.00 C ATOM 499 CZ PHE A 27 77.694 4.045 0.923 1.00 0.00 C ATOM 0 H PHE A 27 81.851 0.914 1.296 1.00 0.00 H new ATOM 0 HA PHE A 27 81.555 2.927 3.283 1.00 0.00 H new ATOM 0 HB2 PHE A 27 80.204 0.309 2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.799 1.126 4.095 1.00 0.00 H new ATOM 0 HD1 PHE A 27 78.754 3.364 4.078 1.00 0.00 H new ATOM 0 HD2 PHE A 27 79.689 1.356 0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 27 77.317 4.948 2.832 1.00 0.00 H new ATOM 0 HE2 PHE A 27 78.249 2.946 -0.830 1.00 0.00 H new ATOM 0 HZ PHE A 27 77.066 4.739 0.384 1.00 0.00 H new ATOM 509 N GLN A 28 82.780 0.027 4.270 1.00 0.00 N ATOM 510 CA GLN A 28 83.495 -0.623 5.362 1.00 0.00 C ATOM 511 C GLN A 28 84.691 0.219 5.773 1.00 0.00 C ATOM 512 O GLN A 28 84.949 0.404 6.963 1.00 0.00 O ATOM 513 CB GLN A 28 83.973 -2.013 4.930 1.00 0.00 C ATOM 514 CG GLN A 28 82.828 -3.024 5.048 1.00 0.00 C ATOM 515 CD GLN A 28 83.294 -4.390 4.563 1.00 0.00 C ATOM 516 OE1 GLN A 28 82.415 -5.254 4.143 1.00 0.00 O flip ATOM 517 NE2 GLN A 28 84.488 -4.679 4.573 1.00 0.00 N flip ATOM 0 H GLN A 28 82.643 -0.556 3.444 1.00 0.00 H new ATOM 0 HA GLN A 28 82.817 -0.726 6.209 1.00 0.00 H new ATOM 0 HB2 GLN A 28 84.334 -1.979 3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.811 -2.327 5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 28 82.494 -3.090 6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.974 -2.691 4.458 1.00 0.00 H new ATOM 0 HE21 GLN A 28 85.174 -4.000 4.903 1.00 0.00 H new ATOM 0 HE22 GLN A 28 84.793 -5.598 4.252 1.00 0.00 H new ATOM 526 N GLN A 29 85.396 0.751 4.788 1.00 0.00 N ATOM 527 CA GLN A 29 86.546 1.603 5.060 1.00 0.00 C ATOM 528 C GLN A 29 86.116 2.847 5.823 1.00 0.00 C ATOM 529 O GLN A 29 86.838 3.332 6.693 1.00 0.00 O ATOM 530 CB GLN A 29 87.230 2.003 3.753 1.00 0.00 C ATOM 531 CG GLN A 29 87.992 0.803 3.183 1.00 0.00 C ATOM 532 CD GLN A 29 89.210 0.506 4.045 1.00 0.00 C ATOM 533 OE1 GLN A 29 89.925 1.424 4.450 1.00 0.00 O ATOM 534 NE2 GLN A 29 89.495 -0.730 4.354 1.00 0.00 N ATOM 0 H GLN A 29 85.195 0.610 3.798 1.00 0.00 H new ATOM 0 HA GLN A 29 87.253 1.043 5.672 1.00 0.00 H new ATOM 0 HB2 GLN A 29 86.488 2.350 3.034 1.00 0.00 H new ATOM 0 HB3 GLN A 29 87.916 2.832 3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 29 87.340 -0.069 3.147 1.00 0.00 H new ATOM 0 HG3 GLN A 29 88.302 1.011 2.159 1.00 0.00 H new ATOM 0 HE21 GLN A 29 88.902 -1.489 4.018 1.00 0.00 H new ATOM 0 HE22 GLN A 29 90.310 -0.936 4.931 1.00 0.00 H new ATOM 543 N ALA A 30 84.938 3.366 5.488 1.00 0.00 N ATOM 544 CA ALA A 30 84.429 4.556 6.157 1.00 0.00 C ATOM 545 C ALA A 30 84.030 4.245 7.599 1.00 0.00 C ATOM 546 O ALA A 30 83.875 5.152 8.417 1.00 0.00 O ATOM 547 CB ALA A 30 83.219 5.102 5.401 1.00 0.00 C ATOM 0 H ALA A 30 84.326 2.986 4.766 1.00 0.00 H new ATOM 0 HA ALA A 30 85.222 5.303 6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 30 82.844 5.991 5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.512 5.360 4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.436 4.344 5.372 1.00 0.00 H new ATOM 553 N GLY A 31 83.867 2.960 7.903 1.00 0.00 N ATOM 554 CA GLY A 31 83.483 2.548 9.248 1.00 0.00 C ATOM 555 C GLY A 31 82.008 2.158 9.308 1.00 0.00 C ATOM 556 O GLY A 31 81.445 2.006 10.394 1.00 0.00 O ATOM 0 H GLY A 31 83.994 2.193 7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 31 84.098 1.704 9.562 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.675 3.361 9.949 1.00 0.00 H new ATOM 560 N TYR A 32 81.386 1.997 8.139 1.00 0.00 N ATOM 561 CA TYR A 32 79.985 1.628 8.069 1.00 0.00 C ATOM 562 C TYR A 32 79.816 0.245 7.455 1.00 0.00 C ATOM 563 O TYR A 32 80.581 -0.162 6.581 1.00 0.00 O ATOM 564 CB TYR A 32 79.239 2.645 7.217 1.00 0.00 C ATOM 565 CG TYR A 32 79.414 4.033 7.800 1.00 0.00 C ATOM 566 CD1 TYR A 32 79.102 4.296 9.143 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.901 5.059 6.992 1.00 0.00 C ATOM 568 CE1 TYR A 32 79.282 5.578 9.665 1.00 0.00 C ATOM 569 CE2 TYR A 32 80.078 6.342 7.517 1.00 0.00 C ATOM 570 CZ TYR A 32 79.771 6.602 8.855 1.00 0.00 C ATOM 571 OH TYR A 32 79.945 7.867 9.377 1.00 0.00 O ATOM 0 H TYR A 32 81.837 2.118 7.232 1.00 0.00 H new ATOM 0 HA TYR A 32 79.581 1.612 9.081 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.614 2.621 6.194 1.00 0.00 H new ATOM 0 HB3 TYR A 32 78.180 2.390 7.174 1.00 0.00 H new ATOM 0 HD1 TYR A 32 78.722 3.505 9.773 1.00 0.00 H new ATOM 0 HD2 TYR A 32 80.142 4.862 5.958 1.00 0.00 H new ATOM 0 HE1 TYR A 32 79.042 5.777 10.699 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.453 7.135 6.887 1.00 0.00 H new ATOM 0 HH TYR A 32 80.294 8.463 8.681 1.00 0.00 H new ATOM 581 N ARG A 33 78.804 -0.472 7.927 1.00 0.00 N ATOM 582 CA ARG A 33 78.530 -1.810 7.417 1.00 0.00 C ATOM 583 C ARG A 33 77.855 -1.725 6.054 1.00 0.00 C ATOM 584 O ARG A 33 78.105 -2.548 5.173 1.00 0.00 O ATOM 585 CB ARG A 33 77.635 -2.580 8.392 1.00 0.00 C ATOM 586 CG ARG A 33 76.614 -1.622 9.008 1.00 0.00 C ATOM 587 CD ARG A 33 77.145 -1.107 10.348 1.00 0.00 C ATOM 588 NE ARG A 33 76.885 -2.079 11.401 1.00 0.00 N ATOM 589 CZ ARG A 33 75.726 -2.092 12.052 1.00 0.00 C ATOM 590 NH1 ARG A 33 74.797 -1.224 11.753 1.00 0.00 N ATOM 591 NH2 ARG A 33 75.515 -2.973 12.992 1.00 0.00 N ATOM 0 H ARG A 33 78.165 -0.154 8.655 1.00 0.00 H new ATOM 0 HA ARG A 33 79.477 -2.341 7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 33 77.123 -3.389 7.871 1.00 0.00 H new ATOM 0 HB3 ARG A 33 78.240 -3.037 9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 33 76.429 -0.787 8.332 1.00 0.00 H new ATOM 0 HG3 ARG A 33 75.662 -2.132 9.153 1.00 0.00 H new ATOM 0 HD2 ARG A 33 78.216 -0.918 10.274 1.00 0.00 H new ATOM 0 HD3 ARG A 33 76.670 -0.157 10.595 1.00 0.00 H new ATOM 0 HE ARG A 33 77.604 -2.761 11.643 1.00 0.00 H new ATOM 0 HH11 ARG A 33 74.960 -0.535 11.019 1.00 0.00 H new ATOM 0 HH12 ARG A 33 73.908 -1.235 12.253 1.00 0.00 H new ATOM 0 HH21 ARG A 33 76.239 -3.651 13.227 1.00 0.00 H new ATOM 0 HH22 ARG A 33 74.626 -2.983 13.491 1.00 0.00 H new ATOM 605 N ASP A 34 76.999 -0.720 5.883 1.00 0.00 N ATOM 606 CA ASP A 34 76.296 -0.525 4.620 1.00 0.00 C ATOM 607 C ASP A 34 75.766 0.905 4.522 1.00 0.00 C ATOM 608 O ASP A 34 75.816 1.669 5.492 1.00 0.00 O ATOM 609 CB ASP A 34 75.139 -1.520 4.507 1.00 0.00 C ATOM 610 CG ASP A 34 74.179 -1.342 5.677 1.00 0.00 C ATOM 611 OD1 ASP A 34 74.452 -0.502 6.516 1.00 0.00 O ATOM 612 OD2 ASP A 34 73.187 -2.052 5.717 1.00 0.00 O ATOM 0 H ASP A 34 76.777 -0.031 6.601 1.00 0.00 H new ATOM 0 HA ASP A 34 76.995 -0.696 3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 34 74.610 -1.369 3.566 1.00 0.00 H new ATOM 0 HB3 ASP A 34 75.525 -2.539 4.495 1.00 0.00 H new ATOM 617 N GLU A 35 75.277 1.264 3.340 1.00 0.00 N ATOM 618 CA GLU A 35 74.760 2.608 3.118 1.00 0.00 C ATOM 619 C GLU A 35 73.761 2.978 4.196 1.00 0.00 C ATOM 620 O GLU A 35 73.618 4.148 4.543 1.00 0.00 O ATOM 621 CB GLU A 35 74.076 2.681 1.750 1.00 0.00 C ATOM 622 CG GLU A 35 72.801 1.833 1.770 1.00 0.00 C ATOM 623 CD GLU A 35 72.284 1.631 0.350 1.00 0.00 C ATOM 624 OE1 GLU A 35 71.837 2.600 -0.241 1.00 0.00 O ATOM 625 OE2 GLU A 35 72.343 0.510 -0.126 1.00 0.00 O ATOM 0 H GLU A 35 75.228 0.649 2.528 1.00 0.00 H new ATOM 0 HA GLU A 35 75.594 3.309 3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 35 73.833 3.716 1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.752 2.322 0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 35 73.005 0.867 2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 35 72.039 2.322 2.377 1.00 0.00 H new ATOM 632 N ILE A 36 73.065 1.984 4.728 1.00 0.00 N ATOM 633 CA ILE A 36 72.061 2.242 5.753 1.00 0.00 C ATOM 634 C ILE A 36 72.686 2.948 6.951 1.00 0.00 C ATOM 635 O ILE A 36 72.158 3.952 7.430 1.00 0.00 O ATOM 636 CB ILE A 36 71.458 0.914 6.220 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.807 0.196 5.030 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.404 1.169 7.303 1.00 0.00 C ATOM 639 CD1 ILE A 36 69.712 1.068 4.397 1.00 0.00 C ATOM 0 H ILE A 36 73.174 1.003 4.472 1.00 0.00 H new ATOM 0 HA ILE A 36 71.287 2.880 5.327 1.00 0.00 H new ATOM 0 HB ILE A 36 72.251 0.290 6.632 1.00 0.00 H new ATOM 0 HG12 ILE A 36 71.565 -0.041 4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.378 -0.750 5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 36 69.980 0.219 7.629 1.00 0.00 H new ATOM 0 HG22 ILE A 36 70.869 1.670 8.152 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.612 1.800 6.899 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.265 0.538 3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 36 68.944 1.283 5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 36 70.149 2.003 4.046 1.00 0.00 H new ATOM 651 N GLU A 37 73.806 2.426 7.431 1.00 0.00 N ATOM 652 CA GLU A 37 74.480 3.020 8.579 1.00 0.00 C ATOM 653 C GLU A 37 74.981 4.419 8.230 1.00 0.00 C ATOM 654 O GLU A 37 74.893 5.343 9.038 1.00 0.00 O ATOM 655 CB GLU A 37 75.655 2.140 9.012 1.00 0.00 C ATOM 656 CG GLU A 37 76.178 2.615 10.365 1.00 0.00 C ATOM 657 CD GLU A 37 75.154 2.311 11.449 1.00 0.00 C ATOM 658 OE1 GLU A 37 74.326 1.443 11.226 1.00 0.00 O ATOM 659 OE2 GLU A 37 75.209 2.949 12.486 1.00 0.00 O ATOM 0 H GLU A 37 74.265 1.599 7.048 1.00 0.00 H new ATOM 0 HA GLU A 37 73.769 3.094 9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.338 1.099 9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.450 2.185 8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.122 2.120 10.594 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.379 3.686 10.332 1.00 0.00 H new ATOM 666 N TYR A 38 75.509 4.565 7.022 1.00 0.00 N ATOM 667 CA TYR A 38 76.016 5.857 6.566 1.00 0.00 C ATOM 668 C TYR A 38 74.920 6.910 6.544 1.00 0.00 C ATOM 669 O TYR A 38 75.123 8.035 6.999 1.00 0.00 O ATOM 670 CB TYR A 38 76.607 5.728 5.172 1.00 0.00 C ATOM 671 CG TYR A 38 76.890 7.108 4.612 1.00 0.00 C ATOM 672 CD1 TYR A 38 77.784 7.964 5.268 1.00 0.00 C ATOM 673 CD2 TYR A 38 76.259 7.530 3.434 1.00 0.00 C ATOM 674 CE1 TYR A 38 78.043 9.240 4.749 1.00 0.00 C ATOM 675 CE2 TYR A 38 76.521 8.804 2.915 1.00 0.00 C ATOM 676 CZ TYR A 38 77.413 9.658 3.573 1.00 0.00 C ATOM 677 OH TYR A 38 77.670 10.914 3.061 1.00 0.00 O ATOM 0 H TYR A 38 75.598 3.810 6.342 1.00 0.00 H new ATOM 0 HA TYR A 38 76.787 6.171 7.270 1.00 0.00 H new ATOM 0 HB2 TYR A 38 77.526 5.143 5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.915 5.194 4.520 1.00 0.00 H new ATOM 0 HD1 TYR A 38 78.274 7.641 6.174 1.00 0.00 H new ATOM 0 HD2 TYR A 38 75.570 6.872 2.926 1.00 0.00 H new ATOM 0 HE1 TYR A 38 78.729 9.901 5.258 1.00 0.00 H new ATOM 0 HE2 TYR A 38 76.034 9.127 2.007 1.00 0.00 H new ATOM 0 HH TYR A 38 77.152 11.045 2.240 1.00 0.00 H new ATOM 687 N LYS A 39 73.767 6.551 5.989 1.00 0.00 N ATOM 688 CA LYS A 39 72.662 7.489 5.890 1.00 0.00 C ATOM 689 C LYS A 39 72.230 7.971 7.266 1.00 0.00 C ATOM 690 O LYS A 39 71.934 9.146 7.446 1.00 0.00 O ATOM 691 CB LYS A 39 71.474 6.820 5.195 1.00 0.00 C ATOM 692 CG LYS A 39 71.776 6.639 3.705 1.00 0.00 C ATOM 693 CD LYS A 39 70.576 5.990 3.014 1.00 0.00 C ATOM 694 CE LYS A 39 70.776 6.032 1.499 1.00 0.00 C ATOM 695 NZ LYS A 39 72.000 5.264 1.134 1.00 0.00 N ATOM 0 H LYS A 39 73.577 5.625 5.605 1.00 0.00 H new ATOM 0 HA LYS A 39 72.998 8.347 5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 39 71.271 5.852 5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.578 7.427 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.994 7.604 3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.663 6.018 3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.464 4.959 3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.659 6.514 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.906 5.610 0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 39 70.869 7.065 1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 71.813 4.696 0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 72.781 5.925 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 72.262 4.635 1.920 1.00 0.00 H new ATOM 709 N GLN A 40 72.193 7.064 8.231 1.00 0.00 N ATOM 710 CA GLN A 40 71.794 7.429 9.583 1.00 0.00 C ATOM 711 C GLN A 40 72.766 8.448 10.173 1.00 0.00 C ATOM 712 O GLN A 40 72.359 9.404 10.829 1.00 0.00 O ATOM 713 CB GLN A 40 71.760 6.179 10.462 1.00 0.00 C ATOM 714 CG GLN A 40 71.251 6.544 11.856 1.00 0.00 C ATOM 715 CD GLN A 40 71.064 5.283 12.692 1.00 0.00 C ATOM 716 OE1 GLN A 40 70.634 4.252 12.174 1.00 0.00 O ATOM 717 NE2 GLN A 40 71.362 5.301 13.963 1.00 0.00 N ATOM 0 H GLN A 40 72.432 6.080 8.106 1.00 0.00 H new ATOM 0 HA GLN A 40 70.801 7.877 9.546 1.00 0.00 H new ATOM 0 HB2 GLN A 40 71.113 5.425 10.014 1.00 0.00 H new ATOM 0 HB3 GLN A 40 72.757 5.744 10.531 1.00 0.00 H new ATOM 0 HG2 GLN A 40 71.958 7.213 12.346 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.306 7.081 11.777 1.00 0.00 H new ATOM 0 HE21 GLN A 40 71.718 6.155 14.391 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.239 4.461 14.528 1.00 0.00 H new ATOM 726 N VAL A 41 74.052 8.233 9.931 1.00 0.00 N ATOM 727 CA VAL A 41 75.076 9.134 10.453 1.00 0.00 C ATOM 728 C VAL A 41 74.901 10.542 9.896 1.00 0.00 C ATOM 729 O VAL A 41 74.991 11.526 10.629 1.00 0.00 O ATOM 730 CB VAL A 41 76.465 8.610 10.089 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.522 9.650 10.468 1.00 0.00 C ATOM 732 CG2 VAL A 41 76.734 7.305 10.840 1.00 0.00 C ATOM 0 H VAL A 41 74.411 7.451 9.382 1.00 0.00 H new ATOM 0 HA VAL A 41 74.971 9.175 11.537 1.00 0.00 H new ATOM 0 HB VAL A 41 76.511 8.424 9.016 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.512 9.275 10.208 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.331 10.577 9.926 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.477 9.841 11.540 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.725 6.933 10.579 1.00 0.00 H new ATOM 0 HG22 VAL A 41 76.685 7.486 11.914 1.00 0.00 H new ATOM 0 HG23 VAL A 41 75.984 6.564 10.563 1.00 0.00 H new ATOM 742 N LYS A 42 74.651 10.631 8.598 1.00 0.00 N ATOM 743 CA LYS A 42 74.467 11.923 7.950 1.00 0.00 C ATOM 744 C LYS A 42 72.986 12.221 7.748 1.00 0.00 C ATOM 745 O LYS A 42 72.631 13.227 7.138 1.00 0.00 O ATOM 746 CB LYS A 42 75.182 11.932 6.599 1.00 0.00 C ATOM 747 CG LYS A 42 76.680 11.699 6.799 1.00 0.00 C ATOM 748 CD LYS A 42 77.308 12.910 7.499 1.00 0.00 C ATOM 749 CE LYS A 42 78.791 12.987 7.147 1.00 0.00 C ATOM 750 NZ LYS A 42 78.937 13.291 5.694 1.00 0.00 N ATOM 0 H LYS A 42 74.571 9.828 7.974 1.00 0.00 H new ATOM 0 HA LYS A 42 74.892 12.694 8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.768 11.157 5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 42 75.018 12.886 6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.841 10.800 7.394 1.00 0.00 H new ATOM 0 HG3 LYS A 42 77.163 11.534 5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.802 13.825 7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.183 12.825 8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.278 13.759 7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.282 12.043 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.671 14.016 5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.209 12.426 5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.033 13.643 5.320 1.00 0.00 H new ATOM 764 N GLN A 43 72.132 11.348 8.278 1.00 0.00 N ATOM 765 CA GLN A 43 70.689 11.538 8.154 1.00 0.00 C ATOM 766 C GLN A 43 70.336 12.100 6.777 1.00 0.00 C ATOM 767 O GLN A 43 69.768 13.188 6.675 1.00 0.00 O ATOM 768 CB GLN A 43 70.183 12.479 9.241 1.00 0.00 C ATOM 769 CG GLN A 43 70.357 11.813 10.606 1.00 0.00 C ATOM 770 CD GLN A 43 69.903 12.762 11.707 1.00 0.00 C ATOM 771 OE1 GLN A 43 68.851 13.391 11.593 1.00 0.00 O ATOM 772 NE2 GLN A 43 70.644 12.909 12.771 1.00 0.00 N ATOM 0 H GLN A 43 72.410 10.512 8.792 1.00 0.00 H new ATOM 0 HA GLN A 43 70.207 10.568 8.271 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.733 13.419 9.209 1.00 0.00 H new ATOM 0 HB3 GLN A 43 69.133 12.718 9.071 1.00 0.00 H new ATOM 0 HG2 GLN A 43 69.777 10.891 10.647 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.401 11.540 10.757 1.00 0.00 H new ATOM 0 HE21 GLN A 43 71.515 12.386 12.862 1.00 0.00 H new ATOM 0 HE22 GLN A 43 70.352 13.547 13.512 1.00 0.00 H new ATOM 781 N VAL A 44 70.685 11.363 5.728 1.00 0.00 N ATOM 782 CA VAL A 44 70.406 11.801 4.360 1.00 0.00 C ATOM 783 C VAL A 44 69.382 10.885 3.707 1.00 0.00 C ATOM 784 O VAL A 44 68.721 10.098 4.383 1.00 0.00 O ATOM 785 CB VAL A 44 71.694 11.803 3.530 1.00 0.00 C ATOM 786 CG1 VAL A 44 72.671 12.823 4.107 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.331 10.415 3.583 1.00 0.00 C ATOM 0 H VAL A 44 71.160 10.463 5.795 1.00 0.00 H new ATOM 0 HA VAL A 44 70.003 12.813 4.401 1.00 0.00 H new ATOM 0 HB VAL A 44 71.460 12.064 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 44 73.587 12.824 3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 44 72.220 13.815 4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 44 72.905 12.560 5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.248 10.413 2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.564 10.161 4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 44 71.636 9.680 3.176 1.00 0.00 H new ATOM 797 N ALA A 45 69.253 10.999 2.388 1.00 0.00 N ATOM 798 CA ALA A 45 68.303 10.178 1.648 1.00 0.00 C ATOM 799 C ALA A 45 68.994 9.456 0.494 1.00 0.00 C ATOM 800 O ALA A 45 68.572 8.375 0.086 1.00 0.00 O ATOM 801 CB ALA A 45 67.180 11.056 1.098 1.00 0.00 C ATOM 0 H ALA A 45 69.791 11.648 1.814 1.00 0.00 H new ATOM 0 HA ALA A 45 67.890 9.434 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.472 10.438 0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.665 11.548 1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 45 67.600 11.810 0.432 1.00 0.00 H new ATOM 807 N MET A 46 70.055 10.062 -0.028 1.00 0.00 N ATOM 808 CA MET A 46 70.789 9.468 -1.140 1.00 0.00 C ATOM 809 C MET A 46 72.253 9.890 -1.099 1.00 0.00 C ATOM 810 O MET A 46 72.610 10.845 -0.408 1.00 0.00 O ATOM 811 CB MET A 46 70.169 9.907 -2.466 1.00 0.00 C ATOM 812 CG MET A 46 70.510 11.375 -2.728 1.00 0.00 C ATOM 813 SD MET A 46 72.032 11.474 -3.701 1.00 0.00 S ATOM 814 CE MET A 46 72.461 13.182 -3.283 1.00 0.00 C ATOM 0 H MET A 46 70.424 10.956 0.297 1.00 0.00 H new ATOM 0 HA MET A 46 70.731 8.383 -1.052 1.00 0.00 H new ATOM 0 HB2 MET A 46 70.544 9.285 -3.279 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.088 9.774 -2.436 1.00 0.00 H new ATOM 0 HG2 MET A 46 69.692 11.860 -3.261 1.00 0.00 H new ATOM 0 HG3 MET A 46 70.634 11.905 -1.784 1.00 0.00 H new ATOM 0 HE1 MET A 46 72.709 13.728 -4.193 1.00 0.00 H new ATOM 0 HE2 MET A 46 71.613 13.660 -2.792 1.00 0.00 H new ATOM 0 HE3 MET A 46 73.319 13.188 -2.611 1.00 0.00 H new ATOM 824 N VAL A 47 73.097 9.170 -1.836 1.00 0.00 N ATOM 825 CA VAL A 47 74.524 9.475 -1.869 1.00 0.00 C ATOM 826 C VAL A 47 74.972 9.750 -3.301 1.00 0.00 C ATOM 827 O VAL A 47 74.498 9.117 -4.246 1.00 0.00 O ATOM 828 CB VAL A 47 75.321 8.303 -1.303 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.752 8.755 -1.017 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.658 7.813 -0.015 1.00 0.00 C ATOM 0 H VAL A 47 72.819 8.377 -2.414 1.00 0.00 H new ATOM 0 HA VAL A 47 74.704 10.362 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 47 75.342 7.487 -2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 47 77.323 7.920 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 47 77.217 9.099 -1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.738 9.570 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 47 75.226 6.976 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.635 8.623 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 47 73.639 7.490 -0.230 1.00 0.00 H new ATOM 840 N ASP A 48 75.888 10.704 -3.458 1.00 0.00 N ATOM 841 CA ASP A 48 76.392 11.058 -4.781 1.00 0.00 C ATOM 842 C ASP A 48 77.188 9.905 -5.380 1.00 0.00 C ATOM 843 O ASP A 48 77.861 9.160 -4.667 1.00 0.00 O ATOM 844 CB ASP A 48 77.278 12.300 -4.684 1.00 0.00 C ATOM 845 CG ASP A 48 76.423 13.527 -4.391 1.00 0.00 C ATOM 846 OD1 ASP A 48 75.212 13.420 -4.497 1.00 0.00 O ATOM 847 OD2 ASP A 48 76.991 14.555 -4.068 1.00 0.00 O ATOM 0 H ASP A 48 76.293 11.241 -2.691 1.00 0.00 H new ATOM 0 HA ASP A 48 75.541 11.268 -5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 48 78.020 12.167 -3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 48 77.824 12.441 -5.617 1.00 0.00 H new ATOM 852 N ARG A 49 77.097 9.763 -6.695 1.00 0.00 N ATOM 853 CA ARG A 49 77.808 8.698 -7.383 1.00 0.00 C ATOM 854 C ARG A 49 78.384 9.182 -8.706 1.00 0.00 C ATOM 855 O ARG A 49 77.876 10.125 -9.309 1.00 0.00 O ATOM 856 CB ARG A 49 76.868 7.526 -7.635 1.00 0.00 C ATOM 857 CG ARG A 49 76.724 6.687 -6.366 1.00 0.00 C ATOM 858 CD ARG A 49 75.544 5.726 -6.520 1.00 0.00 C ATOM 859 NE ARG A 49 75.601 4.691 -5.494 1.00 0.00 N ATOM 860 CZ ARG A 49 75.206 4.931 -4.251 1.00 0.00 C ATOM 861 NH1 ARG A 49 74.757 6.110 -3.925 1.00 0.00 N ATOM 862 NH2 ARG A 49 75.271 3.984 -3.354 1.00 0.00 N ATOM 0 H ARG A 49 76.542 10.367 -7.301 1.00 0.00 H new ATOM 0 HA ARG A 49 78.633 8.379 -6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 49 75.892 7.894 -7.950 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.253 6.909 -8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.641 6.127 -6.182 1.00 0.00 H new ATOM 0 HG3 ARG A 49 76.568 7.336 -5.504 1.00 0.00 H new ATOM 0 HD2 ARG A 49 74.606 6.275 -6.441 1.00 0.00 H new ATOM 0 HD3 ARG A 49 75.564 5.269 -7.509 1.00 0.00 H new ATOM 0 HE ARG A 49 75.952 3.765 -5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 49 74.709 6.849 -4.626 1.00 0.00 H new ATOM 0 HH12 ARG A 49 74.453 6.294 -2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 49 75.625 3.062 -3.610 1.00 0.00 H new ATOM 0 HH22 ARG A 49 74.968 4.166 -2.397 1.00 0.00 H new ATOM 876 N TRP A 50 79.458 8.533 -9.149 1.00 0.00 N ATOM 877 CA TRP A 50 80.095 8.919 -10.403 1.00 0.00 C ATOM 878 C TRP A 50 79.359 8.412 -11.631 1.00 0.00 C ATOM 879 O TRP A 50 78.861 7.296 -11.646 1.00 0.00 O ATOM 880 CB TRP A 50 81.515 8.384 -10.470 1.00 0.00 C ATOM 881 CG TRP A 50 82.410 9.156 -9.559 1.00 0.00 C ATOM 882 CD1 TRP A 50 82.558 8.921 -8.244 1.00 0.00 C ATOM 883 CD2 TRP A 50 83.320 10.245 -9.887 1.00 0.00 C ATOM 884 NE1 TRP A 50 83.467 9.830 -7.727 1.00 0.00 N ATOM 885 CE2 TRP A 50 83.967 10.663 -8.705 1.00 0.00 C ATOM 886 CE3 TRP A 50 83.629 10.916 -11.084 1.00 0.00 C ATOM 887 CZ2 TRP A 50 84.889 11.710 -8.708 1.00 0.00 C ATOM 888 CZ3 TRP A 50 84.559 11.966 -11.091 1.00 0.00 C ATOM 889 CH2 TRP A 50 85.185 12.364 -9.906 1.00 0.00 C ATOM 0 H TRP A 50 79.899 7.750 -8.667 1.00 0.00 H new ATOM 0 HA TRP A 50 80.079 10.009 -10.411 1.00 0.00 H new ATOM 0 HB2 TRP A 50 81.526 7.330 -10.192 1.00 0.00 H new ATOM 0 HB3 TRP A 50 81.886 8.448 -11.493 1.00 0.00 H new ATOM 0 HD1 TRP A 50 82.051 8.150 -7.682 1.00 0.00 H new ATOM 0 HE1 TRP A 50 83.733 9.877 -6.744 1.00 0.00 H new ATOM 0 HE3 TRP A 50 83.147 10.621 -12.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 85.371 12.013 -7.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 84.793 12.470 -12.017 1.00 0.00 H new ATOM 0 HH2 TRP A 50 85.897 13.176 -9.917 1.00 0.00 H new ATOM 900 N PRO A 51 79.362 9.170 -12.695 1.00 0.00 N ATOM 901 CA PRO A 51 78.752 8.732 -13.978 1.00 0.00 C ATOM 902 C PRO A 51 79.570 7.602 -14.590 1.00 0.00 C ATOM 903 O PRO A 51 80.715 7.384 -14.193 1.00 0.00 O ATOM 904 CB PRO A 51 78.833 9.974 -14.862 1.00 0.00 C ATOM 905 CG PRO A 51 79.944 10.783 -14.286 1.00 0.00 C ATOM 906 CD PRO A 51 79.917 10.530 -12.800 1.00 0.00 C ATOM 0 HA PRO A 51 77.735 8.359 -13.858 1.00 0.00 H new ATOM 0 HB2 PRO A 51 79.035 9.708 -15.900 1.00 0.00 H new ATOM 0 HB3 PRO A 51 77.894 10.528 -14.852 1.00 0.00 H new ATOM 0 HG2 PRO A 51 80.903 10.490 -14.714 1.00 0.00 H new ATOM 0 HG3 PRO A 51 79.808 11.842 -14.504 1.00 0.00 H new ATOM 0 HD2 PRO A 51 80.914 10.592 -12.364 1.00 0.00 H new ATOM 0 HD3 PRO A 51 79.296 11.259 -12.280 1.00 0.00 H new ATOM 914 N GLU A 52 78.990 6.893 -15.548 1.00 0.00 N ATOM 915 CA GLU A 52 79.692 5.792 -16.207 1.00 0.00 C ATOM 916 C GLU A 52 79.598 4.526 -15.386 1.00 0.00 C ATOM 917 O GLU A 52 79.293 3.460 -15.922 1.00 0.00 O ATOM 918 CB GLU A 52 81.174 6.134 -16.408 1.00 0.00 C ATOM 919 CG GLU A 52 81.694 5.457 -17.680 1.00 0.00 C ATOM 920 CD GLU A 52 81.134 6.162 -18.910 1.00 0.00 C ATOM 921 OE1 GLU A 52 80.652 7.272 -18.763 1.00 0.00 O ATOM 922 OE2 GLU A 52 81.198 5.582 -19.981 1.00 0.00 O ATOM 0 H GLU A 52 78.042 7.056 -15.887 1.00 0.00 H new ATOM 0 HA GLU A 52 79.216 5.637 -17.175 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.301 7.214 -16.482 1.00 0.00 H new ATOM 0 HB3 GLU A 52 81.753 5.803 -15.546 1.00 0.00 H new ATOM 0 HG2 GLU A 52 82.783 5.486 -17.698 1.00 0.00 H new ATOM 0 HG3 GLU A 52 81.403 4.407 -17.688 1.00 0.00 H new ATOM 929 N THR A 53 79.880 4.633 -14.084 1.00 0.00 N ATOM 930 CA THR A 53 79.838 3.451 -13.236 1.00 0.00 C ATOM 931 C THR A 53 78.805 3.591 -12.131 1.00 0.00 C ATOM 932 O THR A 53 78.124 2.631 -11.777 1.00 0.00 O ATOM 933 CB THR A 53 81.201 3.231 -12.609 1.00 0.00 C ATOM 934 OG1 THR A 53 81.551 4.368 -11.832 1.00 0.00 O ATOM 935 CG2 THR A 53 82.260 3.011 -13.696 1.00 0.00 C ATOM 0 H THR A 53 80.132 5.501 -13.611 1.00 0.00 H new ATOM 0 HA THR A 53 79.561 2.602 -13.860 1.00 0.00 H new ATOM 0 HB THR A 53 81.159 2.346 -11.974 1.00 0.00 H new ATOM 0 HG1 THR A 53 81.695 4.097 -10.901 1.00 0.00 H new ATOM 0 HG21 THR A 53 83.233 2.855 -13.230 1.00 0.00 H new ATOM 0 HG22 THR A 53 81.997 2.135 -14.289 1.00 0.00 H new ATOM 0 HG23 THR A 53 82.304 3.887 -14.343 1.00 0.00 H new ATOM 943 N GLY A 54 78.690 4.792 -11.589 1.00 0.00 N ATOM 944 CA GLY A 54 77.733 5.032 -10.516 1.00 0.00 C ATOM 945 C GLY A 54 78.326 4.668 -9.159 1.00 0.00 C ATOM 946 O GLY A 54 77.594 4.437 -8.199 1.00 0.00 O ATOM 0 H GLY A 54 79.237 5.607 -11.867 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.436 6.081 -10.517 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.831 4.446 -10.691 1.00 0.00 H new ATOM 950 N TYR A 55 79.648 4.615 -9.082 1.00 0.00 N ATOM 951 CA TYR A 55 80.311 4.277 -7.829 1.00 0.00 C ATOM 952 C TYR A 55 80.178 5.411 -6.830 1.00 0.00 C ATOM 953 O TYR A 55 79.843 6.530 -7.200 1.00 0.00 O ATOM 954 CB TYR A 55 81.790 3.964 -8.065 1.00 0.00 C ATOM 955 CG TYR A 55 81.946 2.656 -8.814 1.00 0.00 C ATOM 956 CD1 TYR A 55 81.269 1.500 -8.392 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.770 2.599 -9.943 1.00 0.00 C ATOM 958 CE1 TYR A 55 81.410 0.312 -9.100 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.911 1.400 -10.650 1.00 0.00 C ATOM 960 CZ TYR A 55 82.223 0.260 -10.229 1.00 0.00 C ATOM 961 OH TYR A 55 82.337 -0.911 -10.934 1.00 0.00 O ATOM 0 H TYR A 55 80.278 4.799 -9.863 1.00 0.00 H new ATOM 0 HA TYR A 55 79.826 3.390 -7.422 1.00 0.00 H new ATOM 0 HB2 TYR A 55 82.252 4.772 -8.633 1.00 0.00 H new ATOM 0 HB3 TYR A 55 82.312 3.907 -7.110 1.00 0.00 H new ATOM 0 HD1 TYR A 55 80.638 1.534 -7.516 1.00 0.00 H new ATOM 0 HD2 TYR A 55 83.298 3.482 -10.270 1.00 0.00 H new ATOM 0 HE1 TYR A 55 80.887 -0.574 -8.773 1.00 0.00 H new ATOM 0 HE2 TYR A 55 83.550 1.356 -11.519 1.00 0.00 H new ATOM 0 HH TYR A 55 82.271 -1.671 -10.319 1.00 0.00 H new ATOM 971 N VAL A 56 80.425 5.105 -5.557 1.00 0.00 N ATOM 972 CA VAL A 56 80.305 6.107 -4.504 1.00 0.00 C ATOM 973 C VAL A 56 81.233 7.288 -4.771 1.00 0.00 C ATOM 974 O VAL A 56 82.427 7.112 -5.007 1.00 0.00 O ATOM 975 CB VAL A 56 80.658 5.486 -3.150 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.626 6.566 -2.066 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.647 4.391 -2.808 1.00 0.00 C ATOM 0 H VAL A 56 80.707 4.180 -5.234 1.00 0.00 H new ATOM 0 HA VAL A 56 79.275 6.463 -4.490 1.00 0.00 H new ATOM 0 HB VAL A 56 81.657 5.053 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 56 80.878 6.122 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.350 7.345 -2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.628 7.001 -2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.900 3.950 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.647 4.822 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.672 3.619 -3.577 1.00 0.00 H new ATOM 987 N LYS A 57 80.669 8.492 -4.735 1.00 0.00 N ATOM 988 CA LYS A 57 81.455 9.694 -4.982 1.00 0.00 C ATOM 989 C LYS A 57 82.364 9.997 -3.802 1.00 0.00 C ATOM 990 O LYS A 57 83.565 10.196 -3.968 1.00 0.00 O ATOM 991 CB LYS A 57 80.522 10.882 -5.221 1.00 0.00 C ATOM 992 CG LYS A 57 81.324 12.086 -5.732 1.00 0.00 C ATOM 993 CD LYS A 57 81.156 12.224 -7.247 1.00 0.00 C ATOM 994 CE LYS A 57 81.892 13.475 -7.726 1.00 0.00 C ATOM 995 NZ LYS A 57 83.329 13.383 -7.344 1.00 0.00 N ATOM 0 H LYS A 57 79.682 8.659 -4.539 1.00 0.00 H new ATOM 0 HA LYS A 57 82.072 9.525 -5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 57 79.755 10.612 -5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.008 11.143 -4.296 1.00 0.00 H new ATOM 0 HG2 LYS A 57 80.985 12.996 -5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 57 82.378 11.962 -5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.551 11.341 -7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.098 12.290 -7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 57 81.798 13.574 -8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 57 81.444 14.365 -7.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 83.856 14.164 -7.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 83.418 13.445 -6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 83.718 12.475 -7.671 1.00 0.00 H new ATOM 1009 N LYS A 58 81.786 10.019 -2.612 1.00 0.00 N ATOM 1010 CA LYS A 58 82.566 10.295 -1.415 1.00 0.00 C ATOM 1011 C LYS A 58 81.888 9.706 -0.192 1.00 0.00 C ATOM 1012 O LYS A 58 80.668 9.537 -0.172 1.00 0.00 O ATOM 1013 CB LYS A 58 82.727 11.807 -1.240 1.00 0.00 C ATOM 1014 CG LYS A 58 81.356 12.450 -1.002 1.00 0.00 C ATOM 1015 CD LYS A 58 81.511 13.968 -0.926 1.00 0.00 C ATOM 1016 CE LYS A 58 80.143 14.608 -0.690 1.00 0.00 C ATOM 1017 NZ LYS A 58 80.293 16.087 -0.601 1.00 0.00 N ATOM 0 H LYS A 58 80.793 9.852 -2.449 1.00 0.00 H new ATOM 0 HA LYS A 58 83.549 9.836 -1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.388 12.017 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 58 83.192 12.238 -2.127 1.00 0.00 H new ATOM 0 HG2 LYS A 58 80.673 12.184 -1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 58 80.921 12.072 -0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.193 14.235 -0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 58 81.947 14.347 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 58 79.464 14.349 -1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.703 14.221 0.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 79.362 16.521 -0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 80.927 16.325 0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 80.695 16.449 -1.489 1.00 0.00 H new ATOM 1031 N LEU A 59 82.680 9.403 0.830 1.00 0.00 N ATOM 1032 CA LEU A 59 82.127 8.841 2.050 1.00 0.00 C ATOM 1033 C LEU A 59 82.891 9.341 3.275 1.00 0.00 C ATOM 1034 O LEU A 59 84.121 9.302 3.310 1.00 0.00 O ATOM 1035 CB LEU A 59 82.190 7.310 1.998 1.00 0.00 C ATOM 1036 CG LEU A 59 80.915 6.707 2.592 1.00 0.00 C ATOM 1037 CD1 LEU A 59 80.700 7.252 4.006 1.00 0.00 C ATOM 1038 CD2 LEU A 59 79.711 7.067 1.713 1.00 0.00 C ATOM 0 H LEU A 59 83.691 9.535 0.837 1.00 0.00 H new ATOM 0 HA LEU A 59 81.088 9.161 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.311 6.979 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 59 83.060 6.956 2.551 1.00 0.00 H new ATOM 0 HG LEU A 59 81.017 5.623 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 59 79.792 6.822 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 59 81.552 6.986 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 59 80.603 8.337 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 59 78.806 6.635 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 59 79.608 8.151 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 59 79.862 6.671 0.709 1.00 0.00 H new ATOM 1050 N GLN A 60 82.153 9.807 4.278 1.00 0.00 N ATOM 1051 CA GLN A 60 82.772 10.310 5.499 1.00 0.00 C ATOM 1052 C GLN A 60 83.171 9.160 6.418 1.00 0.00 C ATOM 1053 O GLN A 60 82.382 8.265 6.691 1.00 0.00 O ATOM 1054 CB GLN A 60 81.808 11.233 6.237 1.00 0.00 C ATOM 1055 CG GLN A 60 82.562 11.984 7.338 1.00 0.00 C ATOM 1056 CD GLN A 60 81.634 12.229 8.524 1.00 0.00 C ATOM 1057 OE1 GLN A 60 80.879 11.339 8.915 1.00 0.00 O ATOM 1058 NE2 GLN A 60 81.652 13.383 9.133 1.00 0.00 N ATOM 0 H GLN A 60 81.134 9.847 4.270 1.00 0.00 H new ATOM 0 HA GLN A 60 83.667 10.866 5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.360 11.941 5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 60 80.993 10.654 6.670 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.430 11.406 7.657 1.00 0.00 H new ATOM 0 HG3 GLN A 60 82.935 12.933 6.954 1.00 0.00 H new ATOM 0 HE21 GLN A 60 82.278 14.121 8.809 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.041 13.547 9.933 1.00 0.00 H new ATOM 1067 N ARG A 61 84.411 9.196 6.878 1.00 0.00 N ATOM 1068 CA ARG A 61 84.917 8.138 7.748 1.00 0.00 C ATOM 1069 C ARG A 61 84.359 8.291 9.163 1.00 0.00 C ATOM 1070 O ARG A 61 83.776 9.320 9.506 1.00 0.00 O ATOM 1071 CB ARG A 61 86.444 8.165 7.798 1.00 0.00 C ATOM 1072 CG ARG A 61 86.997 8.345 6.382 1.00 0.00 C ATOM 1073 CD ARG A 61 88.273 7.516 6.206 1.00 0.00 C ATOM 1074 NE ARG A 61 89.300 7.963 7.138 1.00 0.00 N ATOM 1075 CZ ARG A 61 90.458 7.319 7.242 1.00 0.00 C ATOM 1076 NH1 ARG A 61 90.690 6.271 6.502 1.00 0.00 N ATOM 1077 NH2 ARG A 61 91.363 7.739 8.084 1.00 0.00 N ATOM 0 H ARG A 61 85.082 9.935 6.669 1.00 0.00 H new ATOM 0 HA ARG A 61 84.591 7.183 7.337 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.783 8.979 8.439 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.821 7.239 8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.250 8.038 5.650 1.00 0.00 H new ATOM 0 HG3 ARG A 61 87.210 9.398 6.197 1.00 0.00 H new ATOM 0 HD2 ARG A 61 88.055 6.461 6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.636 7.608 5.182 1.00 0.00 H new ATOM 0 HE ARG A 61 89.128 8.783 7.720 1.00 0.00 H new ATOM 0 HH11 ARG A 61 89.983 5.945 5.843 1.00 0.00 H new ATOM 0 HH12 ARG A 61 91.579 5.777 6.582 1.00 0.00 H new ATOM 0 HH21 ARG A 61 91.181 8.560 8.661 1.00 0.00 H new ATOM 0 HH22 ARG A 61 92.252 7.246 8.165 1.00 0.00 H new ATOM 1091 N ARG A 62 84.547 7.259 9.974 1.00 0.00 N ATOM 1092 CA ARG A 62 84.066 7.293 11.350 1.00 0.00 C ATOM 1093 C ARG A 62 84.815 8.356 12.140 1.00 0.00 C ATOM 1094 O ARG A 62 84.432 8.699 13.258 1.00 0.00 O ATOM 1095 CB ARG A 62 84.252 5.926 12.015 1.00 0.00 C ATOM 1096 CG ARG A 62 82.893 5.234 12.152 1.00 0.00 C ATOM 1097 CD ARG A 62 83.080 3.877 12.828 1.00 0.00 C ATOM 1098 NE ARG A 62 81.813 3.156 12.868 1.00 0.00 N ATOM 1099 CZ ARG A 62 80.922 3.385 13.828 1.00 0.00 C ATOM 1100 NH1 ARG A 62 81.173 4.267 14.755 1.00 0.00 N ATOM 1101 NH2 ARG A 62 79.795 2.727 13.840 1.00 0.00 N ATOM 0 H ARG A 62 85.023 6.397 9.708 1.00 0.00 H new ATOM 0 HA ARG A 62 83.004 7.538 11.339 1.00 0.00 H new ATOM 0 HB2 ARG A 62 84.927 5.310 11.421 1.00 0.00 H new ATOM 0 HB3 ARG A 62 84.711 6.047 12.996 1.00 0.00 H new ATOM 0 HG2 ARG A 62 82.214 5.854 12.738 1.00 0.00 H new ATOM 0 HG3 ARG A 62 82.438 5.104 11.170 1.00 0.00 H new ATOM 0 HD2 ARG A 62 83.823 3.292 12.286 1.00 0.00 H new ATOM 0 HD3 ARG A 62 83.460 4.016 13.840 1.00 0.00 H new ATOM 0 HE ARG A 62 81.607 2.464 12.147 1.00 0.00 H new ATOM 0 HH11 ARG A 62 82.053 4.782 14.744 1.00 0.00 H new ATOM 0 HH12 ARG A 62 80.489 4.442 15.491 1.00 0.00 H new ATOM 0 HH21 ARG A 62 79.599 2.038 13.114 1.00 0.00 H new ATOM 0 HH22 ARG A 62 79.110 2.901 14.576 1.00 0.00 H new ATOM 1115 N ASP A 63 85.888 8.873 11.548 1.00 0.00 N ATOM 1116 CA ASP A 63 86.689 9.898 12.200 1.00 0.00 C ATOM 1117 C ASP A 63 86.244 11.280 11.766 1.00 0.00 C ATOM 1118 O ASP A 63 86.938 12.261 12.018 1.00 0.00 O ATOM 1119 CB ASP A 63 88.164 9.719 11.873 1.00 0.00 C ATOM 1120 CG ASP A 63 88.699 8.469 12.558 1.00 0.00 C ATOM 1121 OD1 ASP A 63 88.027 7.974 13.448 1.00 0.00 O ATOM 1122 OD2 ASP A 63 89.773 8.028 12.185 1.00 0.00 O ATOM 0 H ASP A 63 86.220 8.599 10.623 1.00 0.00 H new ATOM 0 HA ASP A 63 86.547 9.796 13.276 1.00 0.00 H new ATOM 0 HB2 ASP A 63 88.299 9.639 10.794 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.727 10.593 12.201 1.00 0.00 H new ATOM 1127 N ASN A 64 85.087 11.351 11.108 1.00 0.00 N ATOM 1128 CA ASN A 64 84.547 12.621 10.635 1.00 0.00 C ATOM 1129 C ASN A 64 85.435 13.233 9.560 1.00 0.00 C ATOM 1130 O ASN A 64 85.597 14.451 9.497 1.00 0.00 O ATOM 1131 CB ASN A 64 84.395 13.602 11.801 1.00 0.00 C ATOM 1132 CG ASN A 64 83.559 12.969 12.905 1.00 0.00 C ATOM 1133 OD1 ASN A 64 82.661 12.171 12.631 1.00 0.00 O ATOM 1134 ND2 ASN A 64 83.796 13.293 14.142 1.00 0.00 N ATOM 0 H ASN A 64 84.506 10.541 10.891 1.00 0.00 H new ATOM 0 HA ASN A 64 83.567 12.424 10.200 1.00 0.00 H new ATOM 0 HB2 ASN A 64 85.377 13.876 12.188 1.00 0.00 H new ATOM 0 HB3 ASN A 64 83.921 14.521 11.455 1.00 0.00 H new ATOM 0 HD21 ASN A 64 83.237 12.886 14.892 1.00 0.00 H new ATOM 0 HD22 ASN A 64 84.541 13.954 14.362 1.00 0.00 H new ATOM 1141 N THR A 65 85.997 12.377 8.709 1.00 0.00 N ATOM 1142 CA THR A 65 86.853 12.842 7.624 1.00 0.00 C ATOM 1143 C THR A 65 86.260 12.454 6.273 1.00 0.00 C ATOM 1144 O THR A 65 85.910 11.298 6.045 1.00 0.00 O ATOM 1145 CB THR A 65 88.251 12.236 7.771 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.140 10.830 7.930 1.00 0.00 O ATOM 1147 CG2 THR A 65 88.946 12.839 8.991 1.00 0.00 C ATOM 0 H THR A 65 85.875 11.365 8.750 1.00 0.00 H new ATOM 0 HA THR A 65 86.923 13.929 7.675 1.00 0.00 H new ATOM 0 HB THR A 65 88.839 12.455 6.879 1.00 0.00 H new ATOM 0 HG1 THR A 65 88.788 10.524 8.598 1.00 0.00 H new ATOM 0 HG21 THR A 65 89.941 12.406 9.094 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.031 13.918 8.865 1.00 0.00 H new ATOM 0 HG23 THR A 65 88.362 12.623 9.886 1.00 0.00 H new ATOM 1155 N PHE A 66 86.150 13.430 5.376 1.00 0.00 N ATOM 1156 CA PHE A 66 85.594 13.176 4.051 1.00 0.00 C ATOM 1157 C PHE A 66 86.611 12.459 3.172 1.00 0.00 C ATOM 1158 O PHE A 66 87.700 12.976 2.924 1.00 0.00 O ATOM 1159 CB PHE A 66 85.195 14.499 3.398 1.00 0.00 C ATOM 1160 CG PHE A 66 83.839 14.927 3.913 1.00 0.00 C ATOM 1161 CD1 PHE A 66 83.663 15.208 5.272 1.00 0.00 C ATOM 1162 CD2 PHE A 66 82.762 15.048 3.029 1.00 0.00 C ATOM 1163 CE1 PHE A 66 82.406 15.609 5.745 1.00 0.00 C ATOM 1164 CE2 PHE A 66 81.507 15.448 3.501 1.00 0.00 C ATOM 1165 CZ PHE A 66 81.328 15.729 4.859 1.00 0.00 C ATOM 0 H PHE A 66 86.436 14.395 5.540 1.00 0.00 H new ATOM 0 HA PHE A 66 84.715 12.541 4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 66 85.938 15.265 3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.166 14.388 2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.494 15.116 5.955 1.00 0.00 H new ATOM 0 HD2 PHE A 66 82.899 14.832 1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 66 82.269 15.826 6.794 1.00 0.00 H new ATOM 0 HE2 PHE A 66 80.677 15.540 2.817 1.00 0.00 H new ATOM 0 HZ PHE A 66 80.360 16.038 5.224 1.00 0.00 H new ATOM 1175 N PHE A 67 86.247 11.266 2.709 1.00 0.00 N ATOM 1176 CA PHE A 67 87.136 10.481 1.862 1.00 0.00 C ATOM 1177 C PHE A 67 86.529 10.319 0.472 1.00 0.00 C ATOM 1178 O PHE A 67 85.478 9.698 0.311 1.00 0.00 O ATOM 1179 CB PHE A 67 87.372 9.104 2.483 1.00 0.00 C ATOM 1180 CG PHE A 67 88.581 8.465 1.842 1.00 0.00 C ATOM 1181 CD1 PHE A 67 89.854 8.700 2.374 1.00 0.00 C ATOM 1182 CD2 PHE A 67 88.432 7.644 0.719 1.00 0.00 C ATOM 1183 CE1 PHE A 67 90.979 8.112 1.783 1.00 0.00 C ATOM 1184 CE2 PHE A 67 89.556 7.057 0.129 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.830 7.289 0.660 1.00 0.00 C ATOM 0 H PHE A 67 85.348 10.825 2.905 1.00 0.00 H new ATOM 0 HA PHE A 67 88.089 11.004 1.777 1.00 0.00 H new ATOM 0 HB2 PHE A 67 87.524 9.199 3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.495 8.473 2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 67 89.969 9.335 3.240 1.00 0.00 H new ATOM 0 HD2 PHE A 67 87.450 7.464 0.308 1.00 0.00 H new ATOM 0 HE1 PHE A 67 91.961 8.293 2.193 1.00 0.00 H new ATOM 0 HE2 PHE A 67 89.441 6.423 -0.738 1.00 0.00 H new ATOM 0 HZ PHE A 67 91.697 6.834 0.204 1.00 0.00 H new ATOM 1195 N TYR A 68 87.196 10.885 -0.527 1.00 0.00 N ATOM 1196 CA TYR A 68 86.711 10.799 -1.899 1.00 0.00 C ATOM 1197 C TYR A 68 87.125 9.473 -2.525 1.00 0.00 C ATOM 1198 O TYR A 68 88.229 8.983 -2.292 1.00 0.00 O ATOM 1199 CB TYR A 68 87.279 11.956 -2.725 1.00 0.00 C ATOM 1200 CG TYR A 68 86.695 13.258 -2.235 1.00 0.00 C ATOM 1201 CD1 TYR A 68 87.331 13.968 -1.209 1.00 0.00 C ATOM 1202 CD2 TYR A 68 85.518 13.758 -2.807 1.00 0.00 C ATOM 1203 CE1 TYR A 68 86.790 15.177 -0.754 1.00 0.00 C ATOM 1204 CE2 TYR A 68 84.978 14.968 -2.352 1.00 0.00 C ATOM 1205 CZ TYR A 68 85.613 15.676 -1.326 1.00 0.00 C ATOM 1206 OH TYR A 68 85.081 16.868 -0.877 1.00 0.00 O ATOM 0 H TYR A 68 88.067 11.404 -0.415 1.00 0.00 H new ATOM 0 HA TYR A 68 85.623 10.861 -1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 68 88.366 11.978 -2.641 1.00 0.00 H new ATOM 0 HB3 TYR A 68 87.044 11.814 -3.780 1.00 0.00 H new ATOM 0 HD1 TYR A 68 88.239 13.583 -0.769 1.00 0.00 H new ATOM 0 HD2 TYR A 68 85.027 13.211 -3.598 1.00 0.00 H new ATOM 0 HE1 TYR A 68 87.280 15.724 0.038 1.00 0.00 H new ATOM 0 HE2 TYR A 68 84.071 15.354 -2.793 1.00 0.00 H new ATOM 0 HH TYR A 68 84.265 17.072 -1.380 1.00 0.00 H new ATOM 1216 N TYR A 69 86.230 8.902 -3.326 1.00 0.00 N ATOM 1217 CA TYR A 69 86.502 7.634 -3.993 1.00 0.00 C ATOM 1218 C TYR A 69 86.569 7.823 -5.505 1.00 0.00 C ATOM 1219 O TYR A 69 85.894 8.686 -6.066 1.00 0.00 O ATOM 1220 CB TYR A 69 85.418 6.610 -3.648 1.00 0.00 C ATOM 1221 CG TYR A 69 85.625 6.108 -2.238 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.468 5.013 -2.010 1.00 0.00 C ATOM 1223 CD2 TYR A 69 84.980 6.729 -1.160 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.666 4.539 -0.709 1.00 0.00 C ATOM 1225 CE2 TYR A 69 85.179 6.253 0.139 1.00 0.00 C ATOM 1226 CZ TYR A 69 86.022 5.159 0.366 1.00 0.00 C ATOM 1227 OH TYR A 69 86.218 4.692 1.649 1.00 0.00 O ATOM 0 H TYR A 69 85.312 9.297 -3.528 1.00 0.00 H new ATOM 0 HA TYR A 69 87.467 7.266 -3.643 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.432 7.064 -3.742 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.454 5.777 -4.350 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.966 4.534 -2.840 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.330 7.574 -1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.316 3.694 -0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.681 6.731 0.970 1.00 0.00 H new ATOM 0 HH TYR A 69 85.503 4.064 1.881 1.00 0.00 H new ATOM 1237 N ASN A 70 87.393 7.010 -6.158 1.00 0.00 N ATOM 1238 CA ASN A 70 87.547 7.090 -7.603 1.00 0.00 C ATOM 1239 C ASN A 70 86.571 6.153 -8.307 1.00 0.00 C ATOM 1240 O ASN A 70 86.252 5.077 -7.802 1.00 0.00 O ATOM 1241 CB ASN A 70 88.978 6.723 -7.992 1.00 0.00 C ATOM 1242 CG ASN A 70 88.993 6.160 -9.399 1.00 0.00 C ATOM 1243 OD1 ASN A 70 89.202 4.882 -9.572 1.00 0.00 O flip ATOM 1244 ND2 ASN A 70 88.805 6.902 -10.361 1.00 0.00 N flip ATOM 0 H ASN A 70 87.962 6.291 -5.710 1.00 0.00 H new ATOM 0 HA ASN A 70 87.332 8.112 -7.914 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.618 7.603 -7.935 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.380 5.990 -7.292 1.00 0.00 H new ATOM 0 HD21 ASN A 70 88.643 7.898 -10.213 1.00 0.00 H new ATOM 0 HD22 ASN A 70 88.811 6.522 -11.307 1.00 0.00 H new ATOM 1251 N LYS A 71 86.094 6.574 -9.471 1.00 0.00 N ATOM 1252 CA LYS A 71 85.153 5.766 -10.232 1.00 0.00 C ATOM 1253 C LYS A 71 85.863 4.690 -11.043 1.00 0.00 C ATOM 1254 O LYS A 71 85.257 3.705 -11.456 1.00 0.00 O ATOM 1255 CB LYS A 71 84.349 6.656 -11.172 1.00 0.00 C ATOM 1256 CG LYS A 71 85.264 7.336 -12.202 1.00 0.00 C ATOM 1257 CD LYS A 71 84.620 7.276 -13.585 1.00 0.00 C ATOM 1258 CE LYS A 71 85.606 7.821 -14.613 1.00 0.00 C ATOM 1259 NZ LYS A 71 84.923 7.952 -15.928 1.00 0.00 N ATOM 0 H LYS A 71 86.341 7.463 -9.905 1.00 0.00 H new ATOM 0 HA LYS A 71 84.489 5.275 -9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.595 6.060 -11.687 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.818 7.414 -10.596 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.440 8.373 -11.917 1.00 0.00 H new ATOM 0 HG3 LYS A 71 86.235 6.842 -12.221 1.00 0.00 H new ATOM 0 HD2 LYS A 71 84.349 6.249 -13.830 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.700 7.861 -13.598 1.00 0.00 H new ATOM 0 HE2 LYS A 71 85.987 8.790 -14.290 1.00 0.00 H new ATOM 0 HE3 LYS A 71 86.464 7.154 -14.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 85.593 8.324 -16.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 84.580 7.020 -16.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 84.118 8.605 -15.838 1.00 0.00 H new ATOM 1273 N GLU A 72 87.146 4.906 -11.294 1.00 0.00 N ATOM 1274 CA GLU A 72 87.922 3.968 -12.081 1.00 0.00 C ATOM 1275 C GLU A 72 88.177 2.724 -11.284 1.00 0.00 C ATOM 1276 O GLU A 72 89.318 2.347 -11.137 1.00 0.00 O ATOM 1277 CB GLU A 72 89.272 4.593 -12.472 1.00 0.00 C ATOM 1278 CG GLU A 72 89.463 4.525 -13.976 1.00 0.00 C ATOM 1279 CD GLU A 72 88.509 5.497 -14.643 1.00 0.00 C ATOM 1280 OE1 GLU A 72 88.748 6.688 -14.542 1.00 0.00 O ATOM 1281 OE2 GLU A 72 87.546 5.039 -15.233 1.00 0.00 O ATOM 0 H GLU A 72 87.667 5.719 -10.965 1.00 0.00 H new ATOM 0 HA GLU A 72 87.359 3.722 -12.982 1.00 0.00 H new ATOM 0 HB2 GLU A 72 89.311 5.630 -12.139 1.00 0.00 H new ATOM 0 HB3 GLU A 72 90.084 4.067 -11.970 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.493 4.771 -14.236 1.00 0.00 H new ATOM 0 HG3 GLU A 72 89.278 3.512 -14.333 1.00 0.00 H new ATOM 1288 N ARG A 73 87.109 2.102 -10.781 1.00 0.00 N ATOM 1289 CA ARG A 73 87.215 0.878 -9.975 1.00 0.00 C ATOM 1290 C ARG A 73 88.670 0.524 -9.621 1.00 0.00 C ATOM 1291 O ARG A 73 89.613 0.811 -10.347 1.00 0.00 O ATOM 1292 CB ARG A 73 86.557 -0.291 -10.720 1.00 0.00 C ATOM 1293 CG ARG A 73 86.578 -1.559 -9.854 1.00 0.00 C ATOM 1294 CD ARG A 73 85.800 -1.315 -8.554 1.00 0.00 C ATOM 1295 NE ARG A 73 86.716 -0.943 -7.475 1.00 0.00 N ATOM 1296 CZ ARG A 73 86.465 0.061 -6.639 1.00 0.00 C ATOM 1297 NH1 ARG A 73 85.382 0.766 -6.757 1.00 0.00 N ATOM 1298 NH2 ARG A 73 87.318 0.344 -5.691 1.00 0.00 N ATOM 0 H ARG A 73 86.152 2.427 -10.918 1.00 0.00 H new ATOM 0 HA ARG A 73 86.695 1.064 -9.035 1.00 0.00 H new ATOM 0 HB2 ARG A 73 85.529 -0.035 -10.976 1.00 0.00 H new ATOM 0 HB3 ARG A 73 87.082 -0.475 -11.657 1.00 0.00 H new ATOM 0 HG2 ARG A 73 86.137 -2.392 -10.402 1.00 0.00 H new ATOM 0 HG3 ARG A 73 87.607 -1.837 -9.626 1.00 0.00 H new ATOM 0 HD2 ARG A 73 85.065 -0.524 -8.705 1.00 0.00 H new ATOM 0 HD3 ARG A 73 85.249 -2.214 -8.278 1.00 0.00 H new ATOM 0 HE ARG A 73 87.579 -1.474 -7.360 1.00 0.00 H new ATOM 0 HH11 ARG A 73 84.713 0.553 -7.497 1.00 0.00 H new ATOM 0 HH12 ARG A 73 85.200 1.533 -6.110 1.00 0.00 H new ATOM 0 HH21 ARG A 73 88.173 -0.204 -5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 73 87.129 1.113 -5.048 1.00 0.00 H new ATOM 1312 N GLU A 74 88.845 -0.172 -8.532 1.00 0.00 N ATOM 1313 CA GLU A 74 90.184 -0.590 -8.156 1.00 0.00 C ATOM 1314 C GLU A 74 90.161 -1.895 -7.373 1.00 0.00 C ATOM 1315 O GLU A 74 91.163 -2.279 -6.772 1.00 0.00 O ATOM 1316 CB GLU A 74 90.824 0.519 -7.325 1.00 0.00 C ATOM 1317 CG GLU A 74 92.322 0.601 -7.628 1.00 0.00 C ATOM 1318 CD GLU A 74 92.958 1.703 -6.789 1.00 0.00 C ATOM 1319 OE1 GLU A 74 92.968 1.565 -5.576 1.00 0.00 O ATOM 1320 OE2 GLU A 74 93.425 2.668 -7.369 1.00 0.00 O ATOM 0 H GLU A 74 88.102 -0.461 -7.896 1.00 0.00 H new ATOM 0 HA GLU A 74 90.768 -0.767 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 74 90.347 1.473 -7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 74 90.669 0.325 -6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 74 92.799 -0.355 -7.412 1.00 0.00 H new ATOM 0 HG3 GLU A 74 92.478 0.802 -8.688 1.00 0.00 H new ATOM 1327 N CYS A 75 89.011 -2.566 -7.372 1.00 0.00 N ATOM 1328 CA CYS A 75 88.857 -3.815 -6.652 1.00 0.00 C ATOM 1329 C CYS A 75 89.120 -5.019 -7.543 1.00 0.00 C ATOM 1330 O CYS A 75 88.561 -5.130 -8.634 1.00 0.00 O ATOM 1331 CB CYS A 75 87.445 -3.895 -6.080 1.00 0.00 C ATOM 1332 SG CYS A 75 87.297 -5.380 -5.061 1.00 0.00 S ATOM 0 H CYS A 75 88.173 -2.259 -7.866 1.00 0.00 H new ATOM 0 HA CYS A 75 89.592 -3.835 -5.847 1.00 0.00 H new ATOM 0 HB2 CYS A 75 87.231 -3.008 -5.484 1.00 0.00 H new ATOM 0 HB3 CYS A 75 86.714 -3.920 -6.888 1.00 0.00 H new ATOM 0 HG CYS A 75 86.096 -5.451 -4.570 1.00 0.00 H new ATOM 1338 N GLU A 76 89.960 -5.926 -7.063 1.00 0.00 N ATOM 1339 CA GLU A 76 90.276 -7.139 -7.807 1.00 0.00 C ATOM 1340 C GLU A 76 89.838 -8.373 -7.028 1.00 0.00 C ATOM 1341 O GLU A 76 89.468 -8.281 -5.857 1.00 0.00 O ATOM 1342 CB GLU A 76 91.776 -7.211 -8.090 1.00 0.00 C ATOM 1343 CG GLU A 76 92.139 -6.221 -9.197 1.00 0.00 C ATOM 1344 CD GLU A 76 93.648 -6.211 -9.410 1.00 0.00 C ATOM 1345 OE1 GLU A 76 94.325 -6.975 -8.741 1.00 0.00 O ATOM 1346 OE2 GLU A 76 94.106 -5.438 -10.232 1.00 0.00 O ATOM 0 H GLU A 76 90.434 -5.846 -6.164 1.00 0.00 H new ATOM 0 HA GLU A 76 89.736 -7.111 -8.753 1.00 0.00 H new ATOM 0 HB2 GLU A 76 92.338 -6.982 -7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 76 92.052 -8.222 -8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 76 91.634 -6.496 -10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 76 91.794 -5.222 -8.931 1.00 0.00 H new ATOM 1353 N ASP A 77 89.870 -9.523 -7.687 1.00 0.00 N ATOM 1354 CA ASP A 77 89.462 -10.771 -7.051 1.00 0.00 C ATOM 1355 C ASP A 77 90.147 -10.922 -5.693 1.00 0.00 C ATOM 1356 O ASP A 77 89.599 -11.526 -4.762 1.00 0.00 O ATOM 1357 CB ASP A 77 89.832 -11.953 -7.951 1.00 0.00 C ATOM 1358 CG ASP A 77 89.181 -13.229 -7.430 1.00 0.00 C ATOM 1359 OD1 ASP A 77 88.275 -13.120 -6.622 1.00 0.00 O ATOM 1360 OD2 ASP A 77 89.602 -14.297 -7.844 1.00 0.00 O ATOM 0 H ASP A 77 90.172 -9.619 -8.656 1.00 0.00 H new ATOM 0 HA ASP A 77 88.383 -10.754 -6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 77 89.505 -11.759 -8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 77 90.915 -12.073 -7.980 1.00 0.00 H new ATOM 1365 N LYS A 78 91.345 -10.364 -5.586 1.00 0.00 N ATOM 1366 CA LYS A 78 92.105 -10.424 -4.343 1.00 0.00 C ATOM 1367 C LYS A 78 91.372 -9.673 -3.232 1.00 0.00 C ATOM 1368 O LYS A 78 91.469 -10.025 -2.051 1.00 0.00 O ATOM 1369 CB LYS A 78 93.481 -9.790 -4.548 1.00 0.00 C ATOM 1370 CG LYS A 78 94.330 -10.686 -5.452 1.00 0.00 C ATOM 1371 CD LYS A 78 95.303 -9.827 -6.265 1.00 0.00 C ATOM 1372 CE LYS A 78 96.260 -9.094 -5.325 1.00 0.00 C ATOM 1373 NZ LYS A 78 97.301 -8.392 -6.128 1.00 0.00 N ATOM 0 H LYS A 78 91.812 -9.865 -6.343 1.00 0.00 H new ATOM 0 HA LYS A 78 92.216 -11.470 -4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.374 -8.802 -4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 78 93.976 -9.653 -3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 78 94.883 -11.407 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 78 93.687 -11.257 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 78 95.867 -10.455 -6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 78 94.750 -9.107 -6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 78 95.710 -8.377 -4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 78 96.728 -9.801 -4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 97.953 -7.893 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 97.832 -9.087 -6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 96.845 -7.706 -6.763 1.00 0.00 H new ATOM 1387 N GLU A 79 90.611 -8.651 -3.613 1.00 0.00 N ATOM 1388 CA GLU A 79 89.861 -7.875 -2.640 1.00 0.00 C ATOM 1389 C GLU A 79 88.545 -8.558 -2.304 1.00 0.00 C ATOM 1390 O GLU A 79 88.029 -8.412 -1.199 1.00 0.00 O ATOM 1391 CB GLU A 79 89.593 -6.472 -3.188 1.00 0.00 C ATOM 1392 CG GLU A 79 90.654 -5.507 -2.654 1.00 0.00 C ATOM 1393 CD GLU A 79 90.689 -4.245 -3.508 1.00 0.00 C ATOM 1394 OE1 GLU A 79 91.432 -4.232 -4.476 1.00 0.00 O ATOM 1395 OE2 GLU A 79 89.972 -3.313 -3.184 1.00 0.00 O ATOM 0 H GLU A 79 90.500 -8.346 -4.580 1.00 0.00 H new ATOM 0 HA GLU A 79 90.454 -7.800 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 79 89.613 -6.485 -4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 79 88.599 -6.137 -2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 79 90.434 -5.249 -1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 79 91.632 -5.988 -2.662 1.00 0.00 H new ATOM 1402 N VAL A 80 88.013 -9.322 -3.251 1.00 0.00 N ATOM 1403 CA VAL A 80 86.762 -10.024 -3.019 1.00 0.00 C ATOM 1404 C VAL A 80 86.902 -10.933 -1.806 1.00 0.00 C ATOM 1405 O VAL A 80 86.043 -10.942 -0.918 1.00 0.00 O ATOM 1406 CB VAL A 80 86.415 -10.862 -4.244 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.251 -11.802 -3.924 1.00 0.00 C ATOM 1408 CG2 VAL A 80 86.012 -9.932 -5.392 1.00 0.00 C ATOM 0 H VAL A 80 88.423 -9.468 -4.173 1.00 0.00 H new ATOM 0 HA VAL A 80 85.969 -9.298 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 80 87.284 -11.454 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 80 85.010 -12.396 -4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.533 -12.464 -3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.379 -11.216 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 80 85.763 -10.526 -6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.145 -9.342 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 80 86.841 -9.265 -5.628 1.00 0.00 H new ATOM 1418 N HIS A 81 87.977 -11.704 -1.778 1.00 0.00 N ATOM 1419 CA HIS A 81 88.209 -12.621 -0.663 1.00 0.00 C ATOM 1420 C HIS A 81 88.518 -11.849 0.614 1.00 0.00 C ATOM 1421 O HIS A 81 88.044 -12.203 1.694 1.00 0.00 O ATOM 1422 CB HIS A 81 89.375 -13.554 -0.982 1.00 0.00 C ATOM 1423 CG HIS A 81 88.981 -14.496 -2.084 1.00 0.00 C ATOM 1424 ND1 HIS A 81 89.792 -14.725 -3.183 1.00 0.00 N ATOM 1425 CD2 HIS A 81 87.865 -15.274 -2.272 1.00 0.00 C ATOM 1426 CE1 HIS A 81 89.159 -15.608 -3.978 1.00 0.00 C ATOM 1427 NE2 HIS A 81 87.980 -15.975 -3.468 1.00 0.00 N ATOM 0 H HIS A 81 88.696 -11.718 -2.501 1.00 0.00 H new ATOM 0 HA HIS A 81 87.303 -13.208 -0.513 1.00 0.00 H new ATOM 0 HB2 HIS A 81 90.247 -12.973 -1.281 1.00 0.00 H new ATOM 0 HB3 HIS A 81 89.657 -14.117 -0.092 1.00 0.00 H new ATOM 0 HD2 HIS A 81 87.026 -15.333 -1.595 1.00 0.00 H new ATOM 0 HE1 HIS A 81 89.556 -15.975 -4.913 1.00 0.00 H new ATOM 0 HE2 HIS A 81 87.308 -16.629 -3.870 1.00 0.00 H new ATOM 1435 N LYS A 82 89.311 -10.788 0.485 1.00 0.00 N ATOM 1436 CA LYS A 82 89.666 -9.971 1.642 1.00 0.00 C ATOM 1437 C LYS A 82 88.474 -9.139 2.107 1.00 0.00 C ATOM 1438 O LYS A 82 88.377 -8.772 3.277 1.00 0.00 O ATOM 1439 CB LYS A 82 90.824 -9.047 1.284 1.00 0.00 C ATOM 1440 CG LYS A 82 92.066 -9.883 0.963 1.00 0.00 C ATOM 1441 CD LYS A 82 93.121 -9.674 2.049 1.00 0.00 C ATOM 1442 CE LYS A 82 93.719 -8.271 1.912 1.00 0.00 C ATOM 1443 NZ LYS A 82 93.824 -7.645 3.259 1.00 0.00 N ATOM 0 H LYS A 82 89.716 -10.477 -0.398 1.00 0.00 H new ATOM 0 HA LYS A 82 89.963 -10.636 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.558 -8.429 0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.033 -8.370 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.800 -10.938 0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.468 -9.596 -0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.673 -9.796 3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.905 -10.426 1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 82 94.703 -8.327 1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 82 93.094 -7.659 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 94.230 -6.692 3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.878 -7.579 3.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 94.438 -8.226 3.865 1.00 0.00 H new ATOM 1457 N VAL A 83 87.574 -8.842 1.176 1.00 0.00 N ATOM 1458 CA VAL A 83 86.388 -8.048 1.485 1.00 0.00 C ATOM 1459 C VAL A 83 85.256 -8.937 1.980 1.00 0.00 C ATOM 1460 O VAL A 83 85.071 -10.051 1.490 1.00 0.00 O ATOM 1461 CB VAL A 83 85.930 -7.278 0.247 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.601 -6.581 0.544 1.00 0.00 C ATOM 1463 CG2 VAL A 83 86.981 -6.230 -0.115 1.00 0.00 C ATOM 0 H VAL A 83 87.642 -9.138 0.202 1.00 0.00 H new ATOM 0 HA VAL A 83 86.650 -7.342 2.273 1.00 0.00 H new ATOM 0 HB VAL A 83 85.801 -7.970 -0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.273 -6.031 -0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 83 83.850 -7.326 0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.731 -5.888 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.657 -5.679 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 83 87.107 -5.538 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 83 87.930 -6.724 -0.324 1.00 0.00 H new ATOM 1473 N LYS A 84 84.504 -8.440 2.956 1.00 0.00 N ATOM 1474 CA LYS A 84 83.390 -9.197 3.518 1.00 0.00 C ATOM 1475 C LYS A 84 82.064 -8.513 3.198 1.00 0.00 C ATOM 1476 O LYS A 84 82.026 -7.316 2.918 1.00 0.00 O ATOM 1477 CB LYS A 84 83.544 -9.308 5.030 1.00 0.00 C ATOM 1478 CG LYS A 84 84.835 -10.065 5.355 1.00 0.00 C ATOM 1479 CD LYS A 84 84.919 -10.342 6.860 1.00 0.00 C ATOM 1480 CE LYS A 84 85.258 -9.053 7.616 1.00 0.00 C ATOM 1481 NZ LYS A 84 85.491 -9.367 9.051 1.00 0.00 N ATOM 0 H LYS A 84 84.644 -7.520 3.373 1.00 0.00 H new ATOM 0 HA LYS A 84 83.395 -10.193 3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 84 83.569 -8.315 5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 84 82.687 -9.829 5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 84 84.864 -11.004 4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 84 85.698 -9.481 5.036 1.00 0.00 H new ATOM 0 HD2 LYS A 84 83.970 -10.743 7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 84 85.679 -11.098 7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 84 86.145 -8.589 7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 84 84.443 -8.336 7.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 85.721 -8.493 9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 84.633 -9.792 9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 86.282 -10.037 9.136 1.00 0.00 H new ATOM 1495 N VAL A 85 80.982 -9.285 3.241 1.00 0.00 N ATOM 1496 CA VAL A 85 79.658 -8.746 2.954 1.00 0.00 C ATOM 1497 C VAL A 85 78.687 -9.072 4.085 1.00 0.00 C ATOM 1498 O VAL A 85 78.535 -10.231 4.474 1.00 0.00 O ATOM 1499 CB VAL A 85 79.131 -9.330 1.644 1.00 0.00 C ATOM 1500 CG1 VAL A 85 77.743 -8.758 1.349 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.084 -8.965 0.504 1.00 0.00 C ATOM 0 H VAL A 85 80.996 -10.279 3.470 1.00 0.00 H new ATOM 0 HA VAL A 85 79.740 -7.663 2.863 1.00 0.00 H new ATOM 0 HB VAL A 85 79.065 -10.414 1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.369 -9.175 0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.063 -9.017 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 85 77.807 -7.673 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 85 79.709 -9.381 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.150 -7.880 0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.073 -9.373 0.712 1.00 0.00 H new ATOM 1511 N TYR A 86 78.027 -8.043 4.605 1.00 0.00 N ATOM 1512 CA TYR A 86 77.068 -8.233 5.687 1.00 0.00 C ATOM 1513 C TYR A 86 75.724 -8.698 5.132 1.00 0.00 C ATOM 1514 O TYR A 86 75.314 -8.282 4.049 1.00 0.00 O ATOM 1515 CB TYR A 86 76.884 -6.925 6.457 1.00 0.00 C ATOM 1516 CG TYR A 86 75.814 -6.091 5.792 1.00 0.00 C ATOM 1517 CD1 TYR A 86 75.920 -5.769 4.435 1.00 0.00 C ATOM 1518 CD2 TYR A 86 74.716 -5.650 6.530 1.00 0.00 C ATOM 1519 CE1 TYR A 86 74.925 -5.003 3.818 1.00 0.00 C ATOM 1520 CE2 TYR A 86 73.720 -4.883 5.917 1.00 0.00 C ATOM 1521 CZ TYR A 86 73.824 -4.558 4.560 1.00 0.00 C ATOM 1522 OH TYR A 86 72.845 -3.801 3.952 1.00 0.00 O ATOM 0 H TYR A 86 78.137 -7.076 4.298 1.00 0.00 H new ATOM 0 HA TYR A 86 77.453 -8.997 6.362 1.00 0.00 H new ATOM 0 HB2 TYR A 86 76.606 -7.135 7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 86 77.824 -6.373 6.486 1.00 0.00 H new ATOM 0 HD1 TYR A 86 76.770 -6.112 3.863 1.00 0.00 H new ATOM 0 HD2 TYR A 86 74.635 -5.901 7.577 1.00 0.00 H new ATOM 0 HE1 TYR A 86 75.006 -4.755 2.770 1.00 0.00 H new ATOM 0 HE2 TYR A 86 72.871 -4.542 6.491 1.00 0.00 H new ATOM 0 HH TYR A 86 72.864 -2.890 4.314 1.00 0.00 H new ATOM 1532 N VAL A 87 75.043 -9.561 5.886 1.00 0.00 N ATOM 1533 CA VAL A 87 73.743 -10.075 5.465 1.00 0.00 C ATOM 1534 C VAL A 87 72.698 -9.844 6.551 1.00 0.00 C ATOM 1535 O VAL A 87 72.964 -10.036 7.738 1.00 0.00 O ATOM 1536 CB VAL A 87 73.845 -11.573 5.154 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.574 -11.772 3.824 1.00 0.00 C ATOM 1538 CG2 VAL A 87 74.632 -12.270 6.263 1.00 0.00 C ATOM 0 H VAL A 87 75.368 -9.916 6.785 1.00 0.00 H new ATOM 0 HA VAL A 87 73.437 -9.541 4.565 1.00 0.00 H new ATOM 0 HB VAL A 87 72.843 -11.996 5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.646 -12.837 3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 87 74.021 -11.274 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 87 75.576 -11.347 3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 87 74.705 -13.335 6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 87 75.633 -11.842 6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 87 74.120 -12.131 7.215 1.00 0.00 H new ATOM 1548 N TYR A 88 71.508 -9.431 6.134 1.00 0.00 N ATOM 1549 CA TYR A 88 70.428 -9.173 7.077 1.00 0.00 C ATOM 1550 C TYR A 88 69.506 -10.382 7.177 1.00 0.00 C ATOM 1551 O TYR A 88 68.536 -10.304 7.912 1.00 0.00 O ATOM 1552 CB TYR A 88 69.624 -7.948 6.632 1.00 0.00 C ATOM 1553 CG TYR A 88 68.797 -8.302 5.420 1.00 0.00 C ATOM 1554 CD1 TYR A 88 69.362 -8.223 4.141 1.00 0.00 C ATOM 1555 CD2 TYR A 88 67.468 -8.710 5.574 1.00 0.00 C ATOM 1556 CE1 TYR A 88 68.596 -8.552 3.017 1.00 0.00 C ATOM 1557 CE2 TYR A 88 66.701 -9.038 4.451 1.00 0.00 C ATOM 1558 CZ TYR A 88 67.266 -8.959 3.172 1.00 0.00 C ATOM 1559 OH TYR A 88 66.509 -9.283 2.063 1.00 0.00 O ATOM 1560 OXT TYR A 88 69.782 -11.368 6.513 1.00 0.00 O ATOM 0 H TYR A 88 71.267 -9.268 5.156 1.00 0.00 H new ATOM 0 HA TYR A 88 70.865 -8.981 8.057 1.00 0.00 H new ATOM 0 HB2 TYR A 88 68.977 -7.611 7.442 1.00 0.00 H new ATOM 0 HB3 TYR A 88 70.297 -7.123 6.398 1.00 0.00 H new ATOM 0 HD1 TYR A 88 70.388 -7.908 4.022 1.00 0.00 H new ATOM 0 HD2 TYR A 88 67.034 -8.772 6.561 1.00 0.00 H new ATOM 0 HE1 TYR A 88 69.031 -8.492 2.030 1.00 0.00 H new ATOM 0 HE2 TYR A 88 65.674 -9.352 4.570 1.00 0.00 H new ATOM 0 HH TYR A 88 65.609 -9.546 2.347 1.00 0.00 H new TER 1570 TYR A 88