USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 766 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 4 THR OG1 : rot -50:sc= 1.57 USER MOD Set 1.2: A 6 SER OG : rot -48:sc= 0.76 USER MOD Single : A 8 HIS : no HD1:sc= -0.238 K(o=-0.24,f=-1.2) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -17:sc= 0.417 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -175:sc= 0.848 (180deg=0.835) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0.938 (180deg=0.926) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0673 K(o=-0.067,f=-0.97) USER MOD Single : A 30 ASN : amide:sc=-0.00765 K(o=-0.0077,f=-1.2) USER MOD Single : A 31 THR OG1 : rot 75:sc= 0.996 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.064) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.201 K(o=-0.2,f=-0.87) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.27) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -162:sc= -0.331 (180deg=-1.11) USER MOD Single : A 55 THR OG1 : rot 80:sc= 0.402 USER MOD Single : A 59 THR OG1 : rot 78:sc= 0.691 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0412 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 70 THR OG1 : rot 84:sc= 0.396 USER MOD Single : A 72 GLN : amide:sc= -0.074 X(o=-0.074,f=-0.21) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 79 GLN : amide:sc= -0.0326 K(o=-0.033,f=-0.65) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 4 -0.654 0.210 -0.687 1.00 0.00 N ATOM 2 CA THR A 4 0.800 0.125 -0.621 1.00 0.00 C ATOM 3 C THR A 4 1.428 1.507 -0.491 1.00 0.00 C ATOM 4 O THR A 4 0.782 2.521 -0.759 1.00 0.00 O ATOM 5 CB THR A 4 1.383 -0.576 -1.862 1.00 0.00 C ATOM 6 OG1 THR A 4 1.160 0.236 -3.022 1.00 0.00 O ATOM 7 CG2 THR A 4 0.726 -1.933 -2.064 1.00 0.00 C ATOM 0 HA THR A 4 1.039 -0.465 0.264 1.00 0.00 H new ATOM 0 HB THR A 4 2.453 -0.720 -1.711 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.219 0.507 -3.056 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.150 -2.415 -2.945 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.904 -2.557 -1.188 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.347 -1.801 -2.203 1.00 0.00 H new ATOM 15 N PRO A 5 2.689 1.543 -0.076 1.00 0.00 N ATOM 16 CA PRO A 5 3.414 2.800 0.068 1.00 0.00 C ATOM 17 C PRO A 5 3.370 3.611 -1.220 1.00 0.00 C ATOM 18 O PRO A 5 3.337 4.842 -1.188 1.00 0.00 O ATOM 19 CB PRO A 5 4.839 2.371 0.432 1.00 0.00 C ATOM 20 CG PRO A 5 4.671 1.045 1.092 1.00 0.00 C ATOM 21 CD PRO A 5 3.537 0.376 0.361 1.00 0.00 C ATOM 0 HA PRO A 5 2.981 3.453 0.826 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.470 2.297 -0.454 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.312 3.090 1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.585 0.454 1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.442 1.160 2.152 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.891 -0.207 -0.489 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.985 -0.306 1.008 1.00 0.00 H new ATOM 29 N SER A 6 3.371 2.916 -2.352 1.00 0.00 N ATOM 30 CA SER A 6 3.401 3.572 -3.654 1.00 0.00 C ATOM 31 C SER A 6 2.083 4.281 -3.942 1.00 0.00 C ATOM 32 O SER A 6 2.033 5.212 -4.746 1.00 0.00 O ATOM 33 CB SER A 6 3.704 2.559 -4.742 1.00 0.00 C ATOM 34 OG SER A 6 2.640 1.670 -4.945 1.00 0.00 O ATOM 0 H SER A 6 3.351 1.897 -2.394 1.00 0.00 H new ATOM 0 HA SER A 6 4.191 4.323 -3.639 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.922 3.082 -5.673 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.599 1.997 -4.475 1.00 0.00 H new ATOM 0 HG SER A 6 2.331 1.327 -4.081 1.00 0.00 H new ATOM 40 N ASP A 7 1.021 3.836 -3.282 1.00 0.00 N ATOM 41 CA ASP A 7 -0.280 4.485 -3.397 1.00 0.00 C ATOM 42 C ASP A 7 -0.359 5.724 -2.515 1.00 0.00 C ATOM 43 O ASP A 7 -0.991 6.717 -2.876 1.00 0.00 O ATOM 44 CB ASP A 7 -1.401 3.508 -3.033 1.00 0.00 C ATOM 45 CG ASP A 7 -1.543 2.329 -3.987 1.00 0.00 C ATOM 46 OD1 ASP A 7 -1.585 2.553 -5.174 1.00 0.00 O ATOM 47 OD2 ASP A 7 -1.452 1.213 -3.537 1.00 0.00 O ATOM 0 H ASP A 7 1.035 3.027 -2.661 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.405 4.797 -4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.222 3.127 -2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.345 4.052 -3.004 1.00 0.00 H new ATOM 52 N HIS A 8 0.287 5.660 -1.356 1.00 0.00 N ATOM 53 CA HIS A 8 0.389 6.814 -0.471 1.00 0.00 C ATOM 54 C HIS A 8 1.304 7.881 -1.060 1.00 0.00 C ATOM 55 O HIS A 8 1.107 9.075 -0.833 1.00 0.00 O ATOM 56 CB HIS A 8 0.900 6.394 0.911 1.00 0.00 C ATOM 57 CG HIS A 8 -0.089 5.593 1.700 1.00 0.00 C ATOM 58 ND1 HIS A 8 0.244 4.939 2.867 1.00 0.00 N ATOM 59 CD2 HIS A 8 -1.402 5.340 1.488 1.00 0.00 C ATOM 60 CE1 HIS A 8 -0.822 4.317 3.340 1.00 0.00 C ATOM 61 NE2 HIS A 8 -1.833 4.545 2.522 1.00 0.00 N ATOM 0 H HIS A 8 0.748 4.820 -1.007 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.610 7.237 -0.365 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.813 5.810 0.789 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.166 7.287 1.477 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.999 5.696 0.661 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.860 3.724 4.242 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.781 4.188 2.639 1.00 0.00 H new ATOM 69 N LEU A 9 2.302 7.443 -1.819 1.00 0.00 N ATOM 70 CA LEU A 9 3.163 8.361 -2.557 1.00 0.00 C ATOM 71 C LEU A 9 2.419 8.994 -3.726 1.00 0.00 C ATOM 72 O LEU A 9 2.535 10.195 -3.971 1.00 0.00 O ATOM 73 CB LEU A 9 4.415 7.628 -3.055 1.00 0.00 C ATOM 74 CG LEU A 9 5.375 7.156 -1.955 1.00 0.00 C ATOM 75 CD1 LEU A 9 6.428 6.228 -2.546 1.00 0.00 C ATOM 76 CD2 LEU A 9 6.027 8.363 -1.297 1.00 0.00 C ATOM 0 H LEU A 9 2.535 6.457 -1.940 1.00 0.00 H new ATOM 0 HA LEU A 9 3.466 9.160 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.102 6.762 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.958 8.288 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 9 4.819 6.603 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.105 5.898 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.940 5.361 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.993 6.760 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.709 8.027 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.582 8.929 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.257 8.998 -0.859 1.00 0.00 H new ATOM 88 N LEU A 10 1.656 8.178 -4.447 1.00 0.00 N ATOM 89 CA LEU A 10 0.841 8.669 -5.551 1.00 0.00 C ATOM 90 C LEU A 10 -0.191 9.680 -5.068 1.00 0.00 C ATOM 91 O LEU A 10 -0.462 10.674 -5.741 1.00 0.00 O ATOM 92 CB LEU A 10 0.150 7.498 -6.262 1.00 0.00 C ATOM 93 CG LEU A 10 -0.758 7.890 -7.433 1.00 0.00 C ATOM 94 CD1 LEU A 10 0.050 8.613 -8.501 1.00 0.00 C ATOM 95 CD2 LEU A 10 -1.416 6.643 -8.006 1.00 0.00 C ATOM 0 H LEU A 10 1.586 7.173 -4.286 1.00 0.00 H new ATOM 0 HA LEU A 10 1.499 9.174 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.915 6.814 -6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.443 6.949 -5.531 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.536 8.566 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.604 8.887 -9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.493 9.513 -8.075 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.841 7.957 -8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.062 6.922 -8.839 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.647 5.955 -8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.011 6.158 -7.233 1.00 0.00 H new ATOM 107 N SER A 11 -0.764 9.419 -3.899 1.00 0.00 N ATOM 108 CA SER A 11 -1.793 10.288 -3.339 1.00 0.00 C ATOM 109 C SER A 11 -1.331 11.738 -3.304 1.00 0.00 C ATOM 110 O SER A 11 -2.056 12.642 -3.721 1.00 0.00 O ATOM 111 CB SER A 11 -2.173 9.820 -1.948 1.00 0.00 C ATOM 112 OG SER A 11 -3.160 10.629 -1.370 1.00 0.00 O ATOM 0 H SER A 11 -0.533 8.612 -3.320 1.00 0.00 H new ATOM 0 HA SER A 11 -2.671 10.232 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 11 -2.531 8.792 -1.997 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.288 9.819 -1.312 1.00 0.00 H new ATOM 0 HG SER A 11 -3.377 10.292 -0.476 1.00 0.00 H new ATOM 118 N THR A 12 -0.120 11.956 -2.801 1.00 0.00 N ATOM 119 CA THR A 12 0.413 13.304 -2.644 1.00 0.00 C ATOM 120 C THR A 12 0.815 13.898 -3.988 1.00 0.00 C ATOM 121 O THR A 12 0.847 15.116 -4.154 1.00 0.00 O ATOM 122 CB THR A 12 1.631 13.323 -1.701 1.00 0.00 C ATOM 123 OG1 THR A 12 2.665 12.487 -2.235 1.00 0.00 O ATOM 124 CG2 THR A 12 1.242 12.822 -0.319 1.00 0.00 C ATOM 0 H THR A 12 0.511 11.215 -2.495 1.00 0.00 H new ATOM 0 HA THR A 12 -0.383 13.907 -2.208 1.00 0.00 H new ATOM 0 HB THR A 12 1.991 14.348 -1.617 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.286 11.893 -2.916 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.114 12.842 0.334 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.464 13.463 0.095 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.868 11.801 -0.394 1.00 0.00 H new ATOM 132 N LEU A 13 1.122 13.028 -4.945 1.00 0.00 N ATOM 133 CA LEU A 13 1.465 13.463 -6.293 1.00 0.00 C ATOM 134 C LEU A 13 0.218 13.830 -7.089 1.00 0.00 C ATOM 135 O LEU A 13 0.277 14.636 -8.017 1.00 0.00 O ATOM 136 CB LEU A 13 2.258 12.368 -7.018 1.00 0.00 C ATOM 137 CG LEU A 13 3.640 12.062 -6.426 1.00 0.00 C ATOM 138 CD1 LEU A 13 4.271 10.885 -7.157 1.00 0.00 C ATOM 139 CD2 LEU A 13 4.522 13.297 -6.530 1.00 0.00 C ATOM 0 H LEU A 13 1.140 12.017 -4.811 1.00 0.00 H new ATOM 0 HA LEU A 13 2.086 14.355 -6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.668 11.452 -7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.384 12.662 -8.060 1.00 0.00 H new ATOM 0 HG LEU A 13 3.535 11.794 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.252 10.675 -6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.634 10.007 -7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.380 11.129 -8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.504 13.079 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.630 13.580 -7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.065 14.118 -5.978 1.00 0.00 H new ATOM 151 N GLU A 14 -0.909 13.232 -6.720 1.00 0.00 N ATOM 152 CA GLU A 14 -2.195 13.596 -7.302 1.00 0.00 C ATOM 153 C GLU A 14 -2.693 14.926 -6.750 1.00 0.00 C ATOM 154 O GLU A 14 -3.369 15.683 -7.444 1.00 0.00 O ATOM 155 CB GLU A 14 -3.231 12.499 -7.044 1.00 0.00 C ATOM 156 CG GLU A 14 -3.005 11.222 -7.842 1.00 0.00 C ATOM 157 CD GLU A 14 -4.037 10.181 -7.510 1.00 0.00 C ATOM 158 OE1 GLU A 14 -4.857 10.434 -6.659 1.00 0.00 O ATOM 159 OE2 GLU A 14 -4.078 9.178 -8.182 1.00 0.00 O ATOM 0 H GLU A 14 -0.958 12.492 -6.020 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.055 13.704 -8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.227 12.255 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.222 12.889 -7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.041 11.446 -8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.010 10.831 -7.632 1.00 0.00 H new ATOM 166 N GLU A 15 -2.356 15.202 -5.494 1.00 0.00 N ATOM 167 CA GLU A 15 -2.702 16.474 -4.870 1.00 0.00 C ATOM 168 C GLU A 15 -1.950 17.628 -5.520 1.00 0.00 C ATOM 169 O GLU A 15 -2.442 18.756 -5.562 1.00 0.00 O ATOM 170 CB GLU A 15 -2.408 16.432 -3.369 1.00 0.00 C ATOM 171 CG GLU A 15 -3.341 15.534 -2.570 1.00 0.00 C ATOM 172 CD GLU A 15 -4.776 15.949 -2.738 1.00 0.00 C ATOM 173 OE1 GLU A 15 -5.067 17.104 -2.538 1.00 0.00 O ATOM 174 OE2 GLU A 15 -5.560 15.140 -3.176 1.00 0.00 O ATOM 0 H GLU A 15 -1.843 14.561 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.770 16.638 -5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.383 16.093 -3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.469 17.445 -2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.219 14.500 -2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.070 15.572 -1.515 1.00 0.00 H new ATOM 181 N LEU A 16 -0.756 17.340 -6.024 1.00 0.00 N ATOM 182 CA LEU A 16 0.029 18.332 -6.750 1.00 0.00 C ATOM 183 C LEU A 16 -0.571 18.613 -8.122 1.00 0.00 C ATOM 184 O LEU A 16 -0.956 17.692 -8.842 1.00 0.00 O ATOM 185 CB LEU A 16 1.482 17.860 -6.890 1.00 0.00 C ATOM 186 CG LEU A 16 2.271 17.777 -5.577 1.00 0.00 C ATOM 187 CD1 LEU A 16 3.639 17.158 -5.828 1.00 0.00 C ATOM 188 CD2 LEU A 16 2.411 19.169 -4.979 1.00 0.00 C ATOM 0 H LEU A 16 -0.309 16.427 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 16 0.012 19.260 -6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.484 16.876 -7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.004 18.537 -7.567 1.00 0.00 H new ATOM 0 HG LEU A 16 1.735 17.144 -4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.191 17.103 -4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.515 16.154 -6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.191 17.772 -6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.972 19.110 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.940 19.815 -5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.422 19.582 -4.782 1.00 0.00 H new ATOM 200 N VAL A 17 -0.649 19.891 -8.477 1.00 0.00 N ATOM 201 CA VAL A 17 -1.031 20.289 -9.827 1.00 0.00 C ATOM 202 C VAL A 17 0.114 20.081 -10.809 1.00 0.00 C ATOM 203 O VAL A 17 1.268 19.932 -10.408 1.00 0.00 O ATOM 204 CB VAL A 17 -1.477 21.762 -9.877 1.00 0.00 C ATOM 205 CG1 VAL A 17 -2.665 21.992 -8.954 1.00 0.00 C ATOM 206 CG2 VAL A 17 -0.324 22.680 -9.500 1.00 0.00 C ATOM 0 H VAL A 17 -0.453 20.670 -7.848 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.870 19.655 -10.115 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.784 21.994 -10.897 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.966 23.038 -9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.496 21.360 -9.267 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.384 21.742 -7.931 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.657 23.717 -9.541 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.012 22.446 -8.490 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.500 22.536 -10.199 1.00 0.00 H new ATOM 216 N PRO A 18 -0.211 20.073 -12.097 1.00 0.00 N ATOM 217 CA PRO A 18 0.768 19.763 -13.132 1.00 0.00 C ATOM 218 C PRO A 18 2.013 20.629 -12.991 1.00 0.00 C ATOM 219 O PRO A 18 3.121 20.196 -13.307 1.00 0.00 O ATOM 220 CB PRO A 18 0.024 20.032 -14.444 1.00 0.00 C ATOM 221 CG PRO A 18 -1.402 19.734 -14.130 1.00 0.00 C ATOM 222 CD PRO A 18 -1.600 20.184 -12.707 1.00 0.00 C ATOM 0 HA PRO A 18 1.132 18.737 -13.074 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.152 21.065 -14.769 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.395 19.397 -15.248 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.072 20.264 -14.807 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.614 18.670 -14.239 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.978 21.205 -12.659 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.319 19.553 -12.184 1.00 0.00 H new ATOM 230 N TYR A 19 1.823 21.856 -12.515 1.00 0.00 N ATOM 231 CA TYR A 19 2.921 22.808 -12.392 1.00 0.00 C ATOM 232 C TYR A 19 3.785 22.498 -11.177 1.00 0.00 C ATOM 233 O TYR A 19 5.003 22.680 -11.206 1.00 0.00 O ATOM 234 CB TYR A 19 2.382 24.236 -12.302 1.00 0.00 C ATOM 235 CG TYR A 19 1.743 24.733 -13.580 1.00 0.00 C ATOM 236 CD1 TYR A 19 2.520 25.227 -14.618 1.00 0.00 C ATOM 237 CD2 TYR A 19 0.366 24.709 -13.746 1.00 0.00 C ATOM 238 CE1 TYR A 19 1.943 25.681 -15.788 1.00 0.00 C ATOM 239 CE2 TYR A 19 -0.222 25.159 -14.911 1.00 0.00 C ATOM 240 CZ TYR A 19 0.570 25.645 -15.931 1.00 0.00 C ATOM 241 OH TYR A 19 -0.009 26.098 -17.093 1.00 0.00 O ATOM 0 H TYR A 19 0.919 22.214 -12.208 1.00 0.00 H new ATOM 0 HA TYR A 19 3.542 22.718 -13.283 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.649 24.287 -11.497 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.199 24.906 -12.032 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.594 25.257 -14.509 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.257 24.331 -12.949 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.562 26.062 -16.587 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.296 25.131 -15.023 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.982 26.002 -17.032 1.00 0.00 H new ATOM 251 N ASP A 20 3.150 22.029 -10.108 1.00 0.00 N ATOM 252 CA ASP A 20 3.859 21.706 -8.876 1.00 0.00 C ATOM 253 C ASP A 20 4.430 20.294 -8.924 1.00 0.00 C ATOM 254 O ASP A 20 5.375 19.972 -8.204 1.00 0.00 O ATOM 255 CB ASP A 20 2.930 21.857 -7.667 1.00 0.00 C ATOM 256 CG ASP A 20 2.597 23.298 -7.308 1.00 0.00 C ATOM 257 OD1 ASP A 20 3.242 24.183 -7.821 1.00 0.00 O ATOM 258 OD2 ASP A 20 1.606 23.512 -6.651 1.00 0.00 O ATOM 0 H ASP A 20 2.144 21.864 -10.070 1.00 0.00 H new ATOM 0 HA ASP A 20 4.688 22.406 -8.775 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.002 21.321 -7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.394 21.378 -6.805 1.00 0.00 H new ATOM 263 N PHE A 21 3.849 19.454 -9.774 1.00 0.00 N ATOM 264 CA PHE A 21 4.415 18.143 -10.064 1.00 0.00 C ATOM 265 C PHE A 21 5.675 18.263 -10.912 1.00 0.00 C ATOM 266 O PHE A 21 6.668 17.578 -10.666 1.00 0.00 O ATOM 267 CB PHE A 21 3.386 17.260 -10.772 1.00 0.00 C ATOM 268 CG PHE A 21 3.904 15.898 -11.135 1.00 0.00 C ATOM 269 CD1 PHE A 21 4.137 14.945 -10.155 1.00 0.00 C ATOM 270 CD2 PHE A 21 4.159 15.566 -12.457 1.00 0.00 C ATOM 271 CE1 PHE A 21 4.613 13.691 -10.487 1.00 0.00 C ATOM 272 CE2 PHE A 21 4.634 14.313 -12.792 1.00 0.00 C ATOM 273 CZ PHE A 21 4.861 13.375 -11.806 1.00 0.00 C ATOM 0 H PHE A 21 2.984 19.659 -10.275 1.00 0.00 H new ATOM 0 HA PHE A 21 4.686 17.679 -9.115 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.514 17.147 -10.128 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.050 17.764 -11.678 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.944 15.186 -9.120 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.984 16.296 -13.234 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.791 12.959 -9.713 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.828 14.068 -13.826 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.232 12.395 -12.067 1.00 0.00 H new ATOM 283 N GLU A 22 5.629 19.138 -11.911 1.00 0.00 N ATOM 284 CA GLU A 22 6.819 19.490 -12.676 1.00 0.00 C ATOM 285 C GLU A 22 7.920 20.025 -11.769 1.00 0.00 C ATOM 286 O GLU A 22 9.079 19.628 -11.883 1.00 0.00 O ATOM 287 CB GLU A 22 6.477 20.523 -13.752 1.00 0.00 C ATOM 288 CG GLU A 22 7.652 20.929 -14.630 1.00 0.00 C ATOM 289 CD GLU A 22 7.219 21.867 -15.723 1.00 0.00 C ATOM 290 OE1 GLU A 22 6.051 22.159 -15.800 1.00 0.00 O ATOM 291 OE2 GLU A 22 8.072 22.381 -16.410 1.00 0.00 O ATOM 0 H GLU A 22 4.779 19.617 -12.210 1.00 0.00 H new ATOM 0 HA GLU A 22 7.185 18.583 -13.158 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.687 20.121 -14.386 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.075 21.414 -13.269 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.417 21.408 -14.019 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.105 20.040 -15.069 1.00 0.00 H new ATOM 298 N LYS A 23 7.549 20.928 -10.867 1.00 0.00 N ATOM 299 CA LYS A 23 8.471 21.415 -9.847 1.00 0.00 C ATOM 300 C LYS A 23 8.978 20.274 -8.974 1.00 0.00 C ATOM 301 O LYS A 23 10.167 20.199 -8.662 1.00 0.00 O ATOM 302 CB LYS A 23 7.798 22.481 -8.981 1.00 0.00 C ATOM 303 CG LYS A 23 8.733 23.182 -8.006 1.00 0.00 C ATOM 304 CD LYS A 23 7.983 24.189 -7.146 1.00 0.00 C ATOM 305 CE LYS A 23 8.930 24.950 -6.230 1.00 0.00 C ATOM 306 NZ LYS A 23 8.197 25.744 -5.208 1.00 0.00 N ATOM 0 H LYS A 23 6.616 21.337 -10.822 1.00 0.00 H new ATOM 0 HA LYS A 23 9.326 21.861 -10.356 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.346 23.229 -9.633 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.988 22.016 -8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.216 22.443 -7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.523 23.690 -8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.451 24.892 -7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.233 23.672 -6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.597 24.246 -5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.555 25.615 -6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.873 26.313 -4.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.517 26.374 -5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.687 25.101 -4.569 1.00 0.00 H new ATOM 320 N PHE A 24 8.069 19.387 -8.581 1.00 0.00 N ATOM 321 CA PHE A 24 8.433 18.216 -7.793 1.00 0.00 C ATOM 322 C PHE A 24 9.517 17.400 -8.485 1.00 0.00 C ATOM 323 O PHE A 24 10.510 17.016 -7.866 1.00 0.00 O ATOM 324 CB PHE A 24 7.204 17.344 -7.533 1.00 0.00 C ATOM 325 CG PHE A 24 7.487 16.131 -6.693 1.00 0.00 C ATOM 326 CD1 PHE A 24 7.968 14.966 -7.271 1.00 0.00 C ATOM 327 CD2 PHE A 24 7.273 16.154 -5.323 1.00 0.00 C ATOM 328 CE1 PHE A 24 8.228 13.849 -6.500 1.00 0.00 C ATOM 329 CE2 PHE A 24 7.534 15.039 -4.549 1.00 0.00 C ATOM 330 CZ PHE A 24 8.011 13.886 -5.137 1.00 0.00 C ATOM 0 H PHE A 24 7.074 19.458 -8.796 1.00 0.00 H new ATOM 0 HA PHE A 24 8.828 18.566 -6.839 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.441 17.946 -7.040 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.789 17.024 -8.489 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.142 14.931 -8.336 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.898 17.053 -4.856 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.601 12.948 -6.963 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.364 15.071 -3.483 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.214 13.014 -4.533 1.00 0.00 H new ATOM 340 N LYS A 25 9.322 17.140 -9.773 1.00 0.00 N ATOM 341 CA LYS A 25 10.271 16.347 -10.547 1.00 0.00 C ATOM 342 C LYS A 25 11.633 17.027 -10.610 1.00 0.00 C ATOM 343 O LYS A 25 12.670 16.372 -10.499 1.00 0.00 O ATOM 344 CB LYS A 25 9.738 16.103 -11.960 1.00 0.00 C ATOM 345 CG LYS A 25 8.525 15.187 -12.025 1.00 0.00 C ATOM 346 CD LYS A 25 8.112 14.916 -13.464 1.00 0.00 C ATOM 347 CE LYS A 25 7.536 16.162 -14.120 1.00 0.00 C ATOM 348 NZ LYS A 25 7.076 15.897 -15.510 1.00 0.00 N ATOM 0 H LYS A 25 8.515 17.467 -10.304 1.00 0.00 H new ATOM 0 HA LYS A 25 10.392 15.387 -10.045 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.478 17.062 -12.408 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.535 15.674 -12.567 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.751 14.245 -11.526 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.694 15.642 -11.486 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.975 14.569 -14.033 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.372 14.116 -13.487 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.700 16.531 -13.526 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.291 16.948 -14.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.754 16.785 -15.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.862 15.505 -16.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.291 15.216 -15.492 1.00 0.00 H new ATOM 362 N PHE A 26 11.625 18.343 -10.790 1.00 0.00 N ATOM 363 CA PHE A 26 12.860 19.108 -10.913 1.00 0.00 C ATOM 364 C PHE A 26 13.603 19.170 -9.584 1.00 0.00 C ATOM 365 O PHE A 26 14.831 19.254 -9.552 1.00 0.00 O ATOM 366 CB PHE A 26 12.565 20.522 -11.416 1.00 0.00 C ATOM 367 CG PHE A 26 12.051 20.568 -12.828 1.00 0.00 C ATOM 368 CD1 PHE A 26 12.010 19.419 -13.603 1.00 0.00 C ATOM 369 CD2 PHE A 26 11.608 21.758 -13.381 1.00 0.00 C ATOM 370 CE1 PHE A 26 11.537 19.459 -14.901 1.00 0.00 C ATOM 371 CE2 PHE A 26 11.134 21.803 -14.678 1.00 0.00 C ATOM 372 CZ PHE A 26 11.098 20.651 -15.439 1.00 0.00 C ATOM 0 H PHE A 26 10.775 18.903 -10.854 1.00 0.00 H new ATOM 0 HA PHE A 26 13.497 18.600 -11.637 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.832 20.987 -10.757 1.00 0.00 H new ATOM 0 HB3 PHE A 26 13.475 21.118 -11.351 1.00 0.00 H new ATOM 0 HD1 PHE A 26 12.351 18.482 -13.188 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.633 22.662 -12.791 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.511 18.557 -15.494 1.00 0.00 H new ATOM 0 HE2 PHE A 26 10.792 22.738 -15.096 1.00 0.00 H new ATOM 0 HZ PHE A 26 10.727 20.683 -16.453 1.00 0.00 H new ATOM 382 N LYS A 27 12.852 19.127 -8.489 1.00 0.00 N ATOM 383 CA LYS A 27 13.436 19.218 -7.156 1.00 0.00 C ATOM 384 C LYS A 27 14.015 17.880 -6.715 1.00 0.00 C ATOM 385 O LYS A 27 14.978 17.831 -5.951 1.00 0.00 O ATOM 386 CB LYS A 27 12.393 19.698 -6.145 1.00 0.00 C ATOM 387 CG LYS A 27 12.095 21.191 -6.210 1.00 0.00 C ATOM 388 CD LYS A 27 13.336 22.016 -5.905 1.00 0.00 C ATOM 389 CE LYS A 27 13.022 23.504 -5.892 1.00 0.00 C ATOM 390 NZ LYS A 27 14.219 24.322 -5.554 1.00 0.00 N ATOM 0 H LYS A 27 11.837 19.030 -8.498 1.00 0.00 H new ATOM 0 HA LYS A 27 14.248 19.944 -7.198 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.466 19.147 -6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.738 19.452 -5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.720 21.446 -7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.307 21.438 -5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.743 21.720 -4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.104 21.811 -6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.642 23.803 -6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.231 23.702 -5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.962 25.330 -5.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.567 24.055 -4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.965 24.153 -6.259 1.00 0.00 H new ATOM 404 N LEU A 28 13.422 16.795 -7.202 1.00 0.00 N ATOM 405 CA LEU A 28 13.951 15.459 -6.961 1.00 0.00 C ATOM 406 C LEU A 28 15.334 15.294 -7.581 1.00 0.00 C ATOM 407 O LEU A 28 16.203 14.630 -7.016 1.00 0.00 O ATOM 408 CB LEU A 28 12.989 14.400 -7.514 1.00 0.00 C ATOM 409 CG LEU A 28 13.415 12.945 -7.279 1.00 0.00 C ATOM 410 CD1 LEU A 28 13.514 12.664 -5.785 1.00 0.00 C ATOM 411 CD2 LEU A 28 12.414 12.008 -7.938 1.00 0.00 C ATOM 0 H LEU A 28 12.573 16.816 -7.767 1.00 0.00 H new ATOM 0 HA LEU A 28 14.047 15.322 -5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.008 14.552 -7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.875 14.560 -8.586 1.00 0.00 H new ATOM 0 HG LEU A 28 14.396 12.778 -7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.817 11.629 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.252 13.330 -5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.544 12.832 -5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.718 10.975 -7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.426 12.170 -7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.380 12.207 -9.009 1.00 0.00 H new ATOM 423 N GLN A 29 15.531 15.904 -8.745 1.00 0.00 N ATOM 424 CA GLN A 29 16.832 15.896 -9.403 1.00 0.00 C ATOM 425 C GLN A 29 17.883 16.599 -8.553 1.00 0.00 C ATOM 426 O GLN A 29 19.038 16.176 -8.503 1.00 0.00 O ATOM 427 CB GLN A 29 16.742 16.570 -10.775 1.00 0.00 C ATOM 428 CG GLN A 29 15.931 15.793 -11.798 1.00 0.00 C ATOM 429 CD GLN A 29 15.747 16.560 -13.094 1.00 0.00 C ATOM 430 OE1 GLN A 29 16.195 17.703 -13.225 1.00 0.00 O ATOM 431 NE2 GLN A 29 15.083 15.937 -14.060 1.00 0.00 N ATOM 0 H GLN A 29 14.805 16.411 -9.252 1.00 0.00 H new ATOM 0 HA GLN A 29 17.132 14.856 -9.533 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.301 17.559 -10.653 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.750 16.716 -11.162 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.427 14.845 -12.007 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.954 15.555 -11.378 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.730 14.992 -13.909 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.926 16.403 -14.953 1.00 0.00 H new ATOM 440 N ASN A 30 17.476 17.673 -7.886 1.00 0.00 N ATOM 441 CA ASN A 30 18.382 18.432 -7.032 1.00 0.00 C ATOM 442 C ASN A 30 18.589 17.736 -5.693 1.00 0.00 C ATOM 443 O ASN A 30 19.648 17.857 -5.077 1.00 0.00 O ATOM 444 CB ASN A 30 17.882 19.848 -6.815 1.00 0.00 C ATOM 445 CG ASN A 30 17.973 20.717 -8.039 1.00 0.00 C ATOM 446 OD1 ASN A 30 18.758 20.451 -8.956 1.00 0.00 O ATOM 447 ND2 ASN A 30 17.235 21.798 -8.021 1.00 0.00 N ATOM 0 H ASN A 30 16.524 18.038 -7.920 1.00 0.00 H new ATOM 0 HA ASN A 30 19.342 18.484 -7.546 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.844 19.810 -6.484 1.00 0.00 H new ATOM 0 HB3 ASN A 30 18.457 20.307 -6.011 1.00 0.00 H new ATOM 0 HD21 ASN A 30 17.293 22.468 -8.788 1.00 0.00 H new ATOM 0 HD22 ASN A 30 16.602 21.971 -7.240 1.00 0.00 H new ATOM 454 N THR A 31 17.572 17.007 -5.247 1.00 0.00 N ATOM 455 CA THR A 31 17.635 16.301 -3.972 1.00 0.00 C ATOM 456 C THR A 31 18.716 15.228 -3.991 1.00 0.00 C ATOM 457 O THR A 31 18.859 14.493 -4.968 1.00 0.00 O ATOM 458 CB THR A 31 16.285 15.649 -3.620 1.00 0.00 C ATOM 459 OG1 THR A 31 15.270 16.658 -3.543 1.00 0.00 O ATOM 460 CG2 THR A 31 16.376 14.925 -2.285 1.00 0.00 C ATOM 0 H THR A 31 16.693 16.889 -5.750 1.00 0.00 H new ATOM 0 HA THR A 31 17.878 17.044 -3.213 1.00 0.00 H new ATOM 0 HB THR A 31 16.032 14.928 -4.398 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.030 16.951 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.413 14.470 -2.051 1.00 0.00 H new ATOM 0 HG22 THR A 31 17.139 14.149 -2.343 1.00 0.00 H new ATOM 0 HG23 THR A 31 16.640 15.636 -1.503 1.00 0.00 H new ATOM 468 N SER A 32 19.476 15.142 -2.904 1.00 0.00 N ATOM 469 CA SER A 32 20.562 14.175 -2.802 1.00 0.00 C ATOM 470 C SER A 32 20.030 12.748 -2.795 1.00 0.00 C ATOM 471 O SER A 32 18.825 12.526 -2.685 1.00 0.00 O ATOM 472 CB SER A 32 21.382 14.440 -1.555 1.00 0.00 C ATOM 473 OG SER A 32 20.660 14.171 -0.384 1.00 0.00 O ATOM 0 H SER A 32 19.359 15.732 -2.080 1.00 0.00 H new ATOM 0 HA SER A 32 21.202 14.289 -3.677 1.00 0.00 H new ATOM 0 HB2 SER A 32 22.282 13.825 -1.575 1.00 0.00 H new ATOM 0 HB3 SER A 32 21.707 15.480 -1.549 1.00 0.00 H new ATOM 0 HG SER A 32 21.224 14.353 0.397 1.00 0.00 H new ATOM 479 N VAL A 33 20.937 11.784 -2.912 1.00 0.00 N ATOM 480 CA VAL A 33 20.553 10.383 -3.035 1.00 0.00 C ATOM 481 C VAL A 33 20.975 9.587 -1.808 1.00 0.00 C ATOM 482 O VAL A 33 21.796 10.043 -1.011 1.00 0.00 O ATOM 483 CB VAL A 33 21.169 9.737 -4.291 1.00 0.00 C ATOM 484 CG1 VAL A 33 20.722 10.475 -5.544 1.00 0.00 C ATOM 485 CG2 VAL A 33 22.687 9.724 -4.194 1.00 0.00 C ATOM 0 H VAL A 33 21.944 11.948 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 33 19.467 10.361 -3.122 1.00 0.00 H new ATOM 0 HB VAL A 33 20.819 8.707 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 33 21.167 10.005 -6.421 1.00 0.00 H new ATOM 0 HG12 VAL A 33 19.636 10.434 -5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 33 21.043 11.515 -5.488 1.00 0.00 H new ATOM 0 HG21 VAL A 33 23.105 9.264 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 33 23.055 10.746 -4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 33 22.991 9.152 -3.317 1.00 0.00 H new ATOM 495 N GLN A 34 20.409 8.393 -1.659 1.00 0.00 N ATOM 496 CA GLN A 34 20.651 7.571 -0.480 1.00 0.00 C ATOM 497 C GLN A 34 21.900 6.716 -0.652 1.00 0.00 C ATOM 498 O GLN A 34 22.303 6.407 -1.773 1.00 0.00 O ATOM 499 CB GLN A 34 19.446 6.672 -0.196 1.00 0.00 C ATOM 500 CG GLN A 34 18.157 7.428 0.084 1.00 0.00 C ATOM 501 CD GLN A 34 18.251 8.290 1.328 1.00 0.00 C ATOM 502 OE1 GLN A 34 18.607 7.811 2.407 1.00 0.00 O ATOM 503 NE2 GLN A 34 17.926 9.570 1.185 1.00 0.00 N ATOM 0 H GLN A 34 19.778 7.973 -2.342 1.00 0.00 H new ATOM 0 HA GLN A 34 20.804 8.242 0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 34 19.289 6.013 -1.050 1.00 0.00 H new ATOM 0 HB3 GLN A 34 19.675 6.036 0.660 1.00 0.00 H new ATOM 0 HG2 GLN A 34 17.914 8.057 -0.773 1.00 0.00 H new ATOM 0 HG3 GLN A 34 17.339 6.716 0.199 1.00 0.00 H new ATOM 0 HE21 GLN A 34 17.637 9.924 0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 34 17.966 10.199 1.987 1.00 0.00 H new ATOM 512 N LYS A 35 22.510 6.338 0.467 1.00 0.00 N ATOM 513 CA LYS A 35 23.771 5.606 0.442 1.00 0.00 C ATOM 514 C LYS A 35 23.555 4.148 0.056 1.00 0.00 C ATOM 515 O LYS A 35 22.691 3.470 0.614 1.00 0.00 O ATOM 516 CB LYS A 35 24.468 5.693 1.801 1.00 0.00 C ATOM 517 CG LYS A 35 25.832 5.017 1.852 1.00 0.00 C ATOM 518 CD LYS A 35 26.506 5.234 3.198 1.00 0.00 C ATOM 519 CE LYS A 35 27.862 4.546 3.257 1.00 0.00 C ATOM 520 NZ LYS A 35 28.531 4.745 4.571 1.00 0.00 N ATOM 0 H LYS A 35 22.151 6.527 1.403 1.00 0.00 H new ATOM 0 HA LYS A 35 24.408 6.067 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 35 24.586 6.743 2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 35 23.824 5.242 2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 35 25.718 3.949 1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 35 26.466 5.411 1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 35 26.630 6.302 3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 35 25.867 4.850 3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 35 27.736 3.479 3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 35 28.500 4.934 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 29.451 4.260 4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 28.675 5.762 4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 27.935 4.352 5.327 1.00 0.00 H new ATOM 534 N GLU A 36 24.343 3.671 -0.900 1.00 0.00 N ATOM 535 CA GLU A 36 24.220 2.301 -1.383 1.00 0.00 C ATOM 536 C GLU A 36 22.832 2.041 -1.955 1.00 0.00 C ATOM 537 O GLU A 36 22.254 0.973 -1.747 1.00 0.00 O ATOM 538 CB GLU A 36 24.519 1.308 -0.257 1.00 0.00 C ATOM 539 CG GLU A 36 25.950 1.353 0.257 1.00 0.00 C ATOM 540 CD GLU A 36 26.170 0.348 1.353 1.00 0.00 C ATOM 541 OE1 GLU A 36 25.226 -0.302 1.735 1.00 0.00 O ATOM 542 OE2 GLU A 36 27.300 0.148 1.731 1.00 0.00 O ATOM 0 H GLU A 36 25.076 4.214 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 36 24.949 2.162 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 36 23.841 1.504 0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 36 24.305 0.300 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 36 26.640 1.156 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 36 26.174 2.353 0.628 1.00 0.00 H new ATOM 549 N HIS A 37 22.302 3.022 -2.675 1.00 0.00 N ATOM 550 CA HIS A 37 21.073 2.835 -3.438 1.00 0.00 C ATOM 551 C HIS A 37 21.211 3.391 -4.850 1.00 0.00 C ATOM 552 O HIS A 37 22.061 4.243 -5.111 1.00 0.00 O ATOM 553 CB HIS A 37 19.888 3.498 -2.728 1.00 0.00 C ATOM 554 CG HIS A 37 19.544 2.868 -1.415 1.00 0.00 C ATOM 555 ND1 HIS A 37 18.829 1.692 -1.319 1.00 0.00 N ATOM 556 CD2 HIS A 37 19.816 3.249 -0.145 1.00 0.00 C ATOM 557 CE1 HIS A 37 18.677 1.377 -0.044 1.00 0.00 C ATOM 558 NE2 HIS A 37 19.266 2.305 0.688 1.00 0.00 N ATOM 0 H HIS A 37 22.704 3.957 -2.747 1.00 0.00 H new ATOM 0 HA HIS A 37 20.888 1.763 -3.507 1.00 0.00 H new ATOM 0 HB2 HIS A 37 20.116 4.552 -2.567 1.00 0.00 H new ATOM 0 HB3 HIS A 37 19.016 3.457 -3.380 1.00 0.00 H new ATOM 0 HD2 HIS A 37 20.363 4.130 0.157 1.00 0.00 H new ATOM 0 HE1 HIS A 37 18.159 0.508 0.335 1.00 0.00 H new ATOM 0 HE2 HIS A 37 19.306 2.319 1.707 1.00 0.00 H new ATOM 566 N SER A 38 20.371 2.903 -5.757 1.00 0.00 N ATOM 567 CA SER A 38 20.505 3.220 -7.174 1.00 0.00 C ATOM 568 C SER A 38 19.999 4.625 -7.474 1.00 0.00 C ATOM 569 O SER A 38 19.009 5.074 -6.899 1.00 0.00 O ATOM 570 CB SER A 38 19.759 2.199 -8.010 1.00 0.00 C ATOM 571 OG SER A 38 20.307 0.916 -7.887 1.00 0.00 O ATOM 0 H SER A 38 19.590 2.286 -5.536 1.00 0.00 H new ATOM 0 HA SER A 38 21.563 3.184 -7.432 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.713 2.177 -7.705 1.00 0.00 H new ATOM 0 HB3 SER A 38 19.780 2.503 -9.057 1.00 0.00 H new ATOM 0 HG SER A 38 19.797 0.288 -8.440 1.00 0.00 H new ATOM 577 N ARG A 39 20.685 5.314 -8.379 1.00 0.00 N ATOM 578 CA ARG A 39 20.303 6.668 -8.762 1.00 0.00 C ATOM 579 C ARG A 39 19.373 6.659 -9.967 1.00 0.00 C ATOM 580 O ARG A 39 19.555 5.873 -10.898 1.00 0.00 O ATOM 581 CB ARG A 39 21.513 7.561 -8.999 1.00 0.00 C ATOM 582 CG ARG A 39 22.415 7.751 -7.790 1.00 0.00 C ATOM 583 CD ARG A 39 23.579 8.642 -8.029 1.00 0.00 C ATOM 584 NE ARG A 39 24.596 8.085 -8.906 1.00 0.00 N ATOM 585 CZ ARG A 39 25.791 8.657 -9.153 1.00 0.00 C ATOM 586 NH1 ARG A 39 26.108 9.818 -8.623 1.00 0.00 N ATOM 587 NH2 ARG A 39 26.627 8.031 -9.962 1.00 0.00 N ATOM 0 H ARG A 39 21.509 4.957 -8.862 1.00 0.00 H new ATOM 0 HA ARG A 39 19.756 7.095 -7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 39 22.104 7.139 -9.812 1.00 0.00 H new ATOM 0 HB3 ARG A 39 21.165 8.539 -9.332 1.00 0.00 H new ATOM 0 HG2 ARG A 39 21.823 8.158 -6.970 1.00 0.00 H new ATOM 0 HG3 ARG A 39 22.779 6.776 -7.466 1.00 0.00 H new ATOM 0 HD2 ARG A 39 23.221 9.578 -8.457 1.00 0.00 H new ATOM 0 HD3 ARG A 39 24.037 8.884 -7.070 1.00 0.00 H new ATOM 0 HE ARG A 39 24.391 7.199 -9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 39 25.445 10.299 -8.015 1.00 0.00 H new ATOM 0 HH12 ARG A 39 27.017 10.237 -8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 39 26.361 7.140 -10.380 1.00 0.00 H new ATOM 0 HH22 ARG A 39 27.539 8.439 -10.168 1.00 0.00 H new ATOM 601 N ILE A 40 18.374 7.534 -9.945 1.00 0.00 N ATOM 602 CA ILE A 40 17.406 7.621 -11.032 1.00 0.00 C ATOM 603 C ILE A 40 17.849 8.627 -12.086 1.00 0.00 C ATOM 604 O ILE A 40 18.131 9.785 -11.774 1.00 0.00 O ATOM 605 CB ILE A 40 16.011 8.014 -10.516 1.00 0.00 C ATOM 606 CG1 ILE A 40 15.524 7.006 -9.471 1.00 0.00 C ATOM 607 CG2 ILE A 40 15.024 8.108 -11.669 1.00 0.00 C ATOM 608 CD1 ILE A 40 14.306 7.462 -8.703 1.00 0.00 C ATOM 0 H ILE A 40 18.213 8.195 -9.185 1.00 0.00 H new ATOM 0 HA ILE A 40 17.350 6.630 -11.482 1.00 0.00 H new ATOM 0 HB ILE A 40 16.080 8.994 -10.043 1.00 0.00 H new ATOM 0 HG12 ILE A 40 15.296 6.063 -9.968 1.00 0.00 H new ATOM 0 HG13 ILE A 40 16.332 6.808 -8.767 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.042 8.387 -11.286 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.364 8.862 -12.379 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.957 7.142 -12.170 1.00 0.00 H new ATOM 0 HD11 ILE A 40 14.022 6.695 -7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 40 14.534 8.388 -8.176 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.482 7.632 -9.396 1.00 0.00 H new ATOM 620 N PRO A 41 17.909 8.180 -13.336 1.00 0.00 N ATOM 621 CA PRO A 41 18.259 9.057 -14.447 1.00 0.00 C ATOM 622 C PRO A 41 17.383 10.304 -14.461 1.00 0.00 C ATOM 623 O PRO A 41 16.165 10.220 -14.316 1.00 0.00 O ATOM 624 CB PRO A 41 18.044 8.188 -15.691 1.00 0.00 C ATOM 625 CG PRO A 41 18.231 6.791 -15.205 1.00 0.00 C ATOM 626 CD PRO A 41 17.669 6.776 -13.809 1.00 0.00 C ATOM 0 HA PRO A 41 19.281 9.432 -14.384 1.00 0.00 H new ATOM 0 HB2 PRO A 41 17.048 8.333 -16.110 1.00 0.00 H new ATOM 0 HB3 PRO A 41 18.759 8.434 -16.476 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.711 6.079 -15.846 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.285 6.512 -15.208 1.00 0.00 H new ATOM 0 HD2 PRO A 41 16.609 6.523 -13.803 1.00 0.00 H new ATOM 0 HD3 PRO A 41 18.174 6.045 -13.178 1.00 0.00 H new ATOM 634 N ARG A 42 18.013 11.461 -14.637 1.00 0.00 N ATOM 635 CA ARG A 42 17.297 12.730 -14.638 1.00 0.00 C ATOM 636 C ARG A 42 16.293 12.795 -15.782 1.00 0.00 C ATOM 637 O ARG A 42 15.230 13.402 -15.654 1.00 0.00 O ATOM 638 CB ARG A 42 18.243 13.922 -14.659 1.00 0.00 C ATOM 639 CG ARG A 42 19.032 14.135 -13.377 1.00 0.00 C ATOM 640 CD ARG A 42 20.017 15.245 -13.441 1.00 0.00 C ATOM 641 NE ARG A 42 20.824 15.405 -12.242 1.00 0.00 N ATOM 642 CZ ARG A 42 21.851 16.268 -12.120 1.00 0.00 C ATOM 643 NH1 ARG A 42 22.227 17.021 -13.130 1.00 0.00 N ATOM 644 NH2 ARG A 42 22.490 16.319 -10.964 1.00 0.00 N ATOM 0 H ARG A 42 19.019 11.545 -14.781 1.00 0.00 H new ATOM 0 HA ARG A 42 16.741 12.785 -13.702 1.00 0.00 H new ATOM 0 HB2 ARG A 42 18.945 13.796 -15.484 1.00 0.00 H new ATOM 0 HB3 ARG A 42 17.665 14.823 -14.867 1.00 0.00 H new ATOM 0 HG2 ARG A 42 18.334 14.331 -12.563 1.00 0.00 H new ATOM 0 HG3 ARG A 42 19.558 13.212 -13.131 1.00 0.00 H new ATOM 0 HD2 ARG A 42 20.680 15.077 -14.290 1.00 0.00 H new ATOM 0 HD3 ARG A 42 19.484 16.176 -13.632 1.00 0.00 H new ATOM 0 HE ARG A 42 20.596 14.822 -11.436 1.00 0.00 H new ATOM 0 HH11 ARG A 42 21.739 16.957 -14.023 1.00 0.00 H new ATOM 0 HH12 ARG A 42 23.007 17.669 -13.020 1.00 0.00 H new ATOM 0 HH21 ARG A 42 22.201 15.715 -10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 42 23.272 16.963 -10.841 1.00 0.00 H new ATOM 658 N SER A 43 16.637 12.166 -16.900 1.00 0.00 N ATOM 659 CA SER A 43 15.745 12.108 -18.052 1.00 0.00 C ATOM 660 C SER A 43 14.474 11.332 -17.724 1.00 0.00 C ATOM 661 O SER A 43 13.399 11.639 -18.238 1.00 0.00 O ATOM 662 CB SER A 43 16.457 11.478 -19.233 1.00 0.00 C ATOM 663 OG SER A 43 17.525 12.265 -19.683 1.00 0.00 O ATOM 0 H SER A 43 17.528 11.688 -17.033 1.00 0.00 H new ATOM 0 HA SER A 43 15.459 13.127 -18.313 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.827 10.493 -18.950 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.748 11.330 -20.047 1.00 0.00 H new ATOM 0 HG SER A 43 17.959 11.824 -20.443 1.00 0.00 H new ATOM 669 N GLN A 44 14.605 10.327 -16.865 1.00 0.00 N ATOM 670 CA GLN A 44 13.463 9.522 -16.449 1.00 0.00 C ATOM 671 C GLN A 44 12.605 10.268 -15.435 1.00 0.00 C ATOM 672 O GLN A 44 11.376 10.190 -15.470 1.00 0.00 O ATOM 673 CB GLN A 44 13.933 8.195 -15.849 1.00 0.00 C ATOM 674 CG GLN A 44 14.576 7.251 -16.851 1.00 0.00 C ATOM 675 CD GLN A 44 13.631 6.872 -17.976 1.00 0.00 C ATOM 676 OE1 GLN A 44 12.472 6.520 -17.740 1.00 0.00 O ATOM 677 NE2 GLN A 44 14.122 6.939 -19.208 1.00 0.00 N ATOM 0 H GLN A 44 15.492 10.050 -16.443 1.00 0.00 H new ATOM 0 HA GLN A 44 12.859 9.322 -17.334 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.647 8.402 -15.052 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.080 7.694 -15.391 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.466 7.721 -17.270 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.905 6.348 -16.336 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.087 7.235 -19.357 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.535 6.694 -20.005 1.00 0.00 H new ATOM 686 N ILE A 45 13.258 10.993 -14.532 1.00 0.00 N ATOM 687 CA ILE A 45 12.555 11.741 -13.496 1.00 0.00 C ATOM 688 C ILE A 45 11.583 12.744 -14.104 1.00 0.00 C ATOM 689 O ILE A 45 10.423 12.821 -13.700 1.00 0.00 O ATOM 690 CB ILE A 45 13.537 12.485 -12.573 1.00 0.00 C ATOM 691 CG1 ILE A 45 14.341 11.487 -11.735 1.00 0.00 C ATOM 692 CG2 ILE A 45 12.789 13.458 -11.676 1.00 0.00 C ATOM 693 CD1 ILE A 45 15.492 12.113 -10.979 1.00 0.00 C ATOM 0 H ILE A 45 14.274 11.078 -14.497 1.00 0.00 H new ATOM 0 HA ILE A 45 11.998 11.013 -12.906 1.00 0.00 H new ATOM 0 HB ILE A 45 14.232 13.054 -13.191 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.672 11.002 -11.024 1.00 0.00 H new ATOM 0 HG13 ILE A 45 14.730 10.707 -12.390 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.498 13.976 -11.030 1.00 0.00 H new ATOM 0 HG22 ILE A 45 12.260 14.186 -12.291 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.072 12.911 -11.063 1.00 0.00 H new ATOM 0 HD11 ILE A 45 16.014 11.344 -10.409 1.00 0.00 H new ATOM 0 HD12 ILE A 45 16.183 12.573 -11.685 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.109 12.873 -10.298 1.00 0.00 H new ATOM 705 N GLN A 46 12.064 13.512 -15.076 1.00 0.00 N ATOM 706 CA GLN A 46 11.281 14.598 -15.652 1.00 0.00 C ATOM 707 C GLN A 46 10.227 14.066 -16.615 1.00 0.00 C ATOM 708 O GLN A 46 9.305 14.785 -16.999 1.00 0.00 O ATOM 709 CB GLN A 46 12.193 15.589 -16.380 1.00 0.00 C ATOM 710 CG GLN A 46 12.797 15.050 -17.665 1.00 0.00 C ATOM 711 CD GLN A 46 13.634 16.086 -18.391 1.00 0.00 C ATOM 712 OE1 GLN A 46 13.745 17.234 -17.950 1.00 0.00 O ATOM 713 NE2 GLN A 46 14.224 15.689 -19.513 1.00 0.00 N ATOM 0 H GLN A 46 12.993 13.402 -15.481 1.00 0.00 H new ATOM 0 HA GLN A 46 10.775 15.111 -14.834 1.00 0.00 H new ATOM 0 HB2 GLN A 46 11.623 16.489 -16.609 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.999 15.884 -15.709 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.416 14.183 -17.436 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.998 14.707 -18.323 1.00 0.00 H new ATOM 0 HE21 GLN A 46 14.105 14.730 -19.840 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.796 16.343 -20.047 1.00 0.00 H new ATOM 722 N ARG A 47 10.370 12.802 -17.000 1.00 0.00 N ATOM 723 CA ARG A 47 9.469 12.192 -17.972 1.00 0.00 C ATOM 724 C ARG A 47 8.574 11.151 -17.313 1.00 0.00 C ATOM 725 O ARG A 47 7.745 10.525 -17.975 1.00 0.00 O ATOM 726 CB ARG A 47 10.218 11.611 -19.162 1.00 0.00 C ATOM 727 CG ARG A 47 10.976 12.629 -20.000 1.00 0.00 C ATOM 728 CD ARG A 47 10.107 13.558 -20.768 1.00 0.00 C ATOM 729 NE ARG A 47 10.821 14.427 -21.690 1.00 0.00 N ATOM 730 CZ ARG A 47 10.234 15.330 -22.499 1.00 0.00 C ATOM 731 NH1 ARG A 47 8.927 15.461 -22.534 1.00 0.00 N ATOM 732 NH2 ARG A 47 11.008 16.067 -23.277 1.00 0.00 N ATOM 0 H ARG A 47 11.101 12.180 -16.654 1.00 0.00 H new ATOM 0 HA ARG A 47 8.830 12.985 -18.360 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.923 10.863 -18.799 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.505 11.092 -19.803 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.622 13.213 -19.344 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.625 12.098 -20.696 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.378 12.973 -21.330 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.547 14.176 -20.066 1.00 0.00 H new ATOM 0 HE ARG A 47 11.837 14.347 -21.727 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.340 14.873 -21.942 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.500 16.150 -23.153 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.020 15.943 -23.254 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.593 16.759 -23.901 1.00 0.00 H new ATOM 746 N ALA A 48 8.747 10.968 -16.009 1.00 0.00 N ATOM 747 CA ALA A 48 7.979 9.976 -15.266 1.00 0.00 C ATOM 748 C ALA A 48 6.600 10.506 -14.900 1.00 0.00 C ATOM 749 O ALA A 48 6.454 11.662 -14.500 1.00 0.00 O ATOM 750 CB ALA A 48 8.736 9.548 -14.017 1.00 0.00 C ATOM 0 H ALA A 48 9.413 11.494 -15.444 1.00 0.00 H new ATOM 0 HA ALA A 48 7.842 9.106 -15.908 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.150 8.807 -13.473 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.694 9.114 -14.303 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.906 10.416 -13.380 1.00 0.00 H new ATOM 756 N ARG A 49 5.588 9.656 -15.038 1.00 0.00 N ATOM 757 CA ARG A 49 4.256 9.962 -14.531 1.00 0.00 C ATOM 758 C ARG A 49 4.202 9.842 -13.013 1.00 0.00 C ATOM 759 O ARG A 49 5.054 9.200 -12.402 1.00 0.00 O ATOM 760 CB ARG A 49 3.181 9.115 -15.195 1.00 0.00 C ATOM 761 CG ARG A 49 2.883 9.478 -16.641 1.00 0.00 C ATOM 762 CD ARG A 49 1.687 8.802 -17.208 1.00 0.00 C ATOM 763 NE ARG A 49 1.316 9.252 -18.540 1.00 0.00 N ATOM 764 CZ ARG A 49 0.199 8.873 -19.192 1.00 0.00 C ATOM 765 NH1 ARG A 49 -0.637 8.011 -18.658 1.00 0.00 N ATOM 766 NH2 ARG A 49 -0.021 9.374 -20.396 1.00 0.00 N ATOM 0 H ARG A 49 5.665 8.749 -15.497 1.00 0.00 H new ATOM 0 HA ARG A 49 4.045 10.999 -14.791 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.486 8.069 -15.153 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.261 9.202 -14.617 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.743 10.557 -16.711 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.750 9.229 -17.252 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.873 7.728 -17.239 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.843 8.960 -16.536 1.00 0.00 H new ATOM 0 HE ARG A 49 1.945 9.900 -19.014 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.445 7.618 -17.736 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.478 7.735 -19.165 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.646 10.028 -20.806 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.858 9.106 -20.915 1.00 0.00 H new ATOM 780 N PRO A 50 3.194 10.466 -12.411 1.00 0.00 N ATOM 781 CA PRO A 50 3.030 10.433 -10.963 1.00 0.00 C ATOM 782 C PRO A 50 3.114 9.008 -10.431 1.00 0.00 C ATOM 783 O PRO A 50 3.670 8.768 -9.358 1.00 0.00 O ATOM 784 CB PRO A 50 1.650 11.055 -10.729 1.00 0.00 C ATOM 785 CG PRO A 50 1.475 12.007 -11.862 1.00 0.00 C ATOM 786 CD PRO A 50 2.130 11.345 -13.044 1.00 0.00 C ATOM 0 HA PRO A 50 3.815 10.976 -10.437 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.868 10.296 -10.724 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.603 11.568 -9.768 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.419 12.199 -12.054 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.939 12.968 -11.643 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.416 10.758 -13.622 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.566 12.077 -13.724 1.00 0.00 H new ATOM 794 N VAL A 51 2.560 8.066 -11.185 1.00 0.00 N ATOM 795 CA VAL A 51 2.642 6.653 -10.832 1.00 0.00 C ATOM 796 C VAL A 51 4.072 6.141 -10.940 1.00 0.00 C ATOM 797 O VAL A 51 4.538 5.387 -10.086 1.00 0.00 O ATOM 798 CB VAL A 51 1.729 5.793 -11.725 1.00 0.00 C ATOM 799 CG1 VAL A 51 1.968 4.314 -11.463 1.00 0.00 C ATOM 800 CG2 VAL A 51 0.268 6.145 -11.489 1.00 0.00 C ATOM 0 H VAL A 51 2.048 8.255 -12.047 1.00 0.00 H new ATOM 0 HA VAL A 51 2.306 6.568 -9.798 1.00 0.00 H new ATOM 0 HB VAL A 51 1.970 6.003 -12.767 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.314 3.721 -12.103 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.008 4.069 -11.680 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.753 4.090 -10.418 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.363 5.528 -12.128 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.014 5.963 -10.445 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.104 7.197 -11.725 1.00 0.00 H new ATOM 810 N LYS A 52 4.765 6.553 -11.996 1.00 0.00 N ATOM 811 CA LYS A 52 6.120 6.083 -12.255 1.00 0.00 C ATOM 812 C LYS A 52 7.111 6.688 -11.268 1.00 0.00 C ATOM 813 O LYS A 52 8.159 6.104 -10.991 1.00 0.00 O ATOM 814 CB LYS A 52 6.538 6.414 -13.689 1.00 0.00 C ATOM 815 CG LYS A 52 5.773 5.647 -14.760 1.00 0.00 C ATOM 816 CD LYS A 52 6.259 6.011 -16.154 1.00 0.00 C ATOM 817 CE LYS A 52 5.523 5.217 -17.223 1.00 0.00 C ATOM 818 NZ LYS A 52 6.024 5.524 -18.590 1.00 0.00 N ATOM 0 H LYS A 52 4.409 7.213 -12.688 1.00 0.00 H new ATOM 0 HA LYS A 52 6.127 5.001 -12.126 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.402 7.482 -13.857 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.602 6.207 -13.801 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.893 4.576 -14.599 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.708 5.864 -14.675 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.113 7.077 -16.325 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.330 5.820 -16.229 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.637 4.151 -17.026 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.457 5.438 -17.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.496 4.962 -19.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.892 6.536 -18.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.035 5.289 -18.650 1.00 0.00 H new ATOM 832 N MET A 53 6.774 7.859 -10.741 1.00 0.00 N ATOM 833 CA MET A 53 7.637 8.548 -9.789 1.00 0.00 C ATOM 834 C MET A 53 7.774 7.756 -8.496 1.00 0.00 C ATOM 835 O MET A 53 8.881 7.548 -7.999 1.00 0.00 O ATOM 836 CB MET A 53 7.091 9.945 -9.498 1.00 0.00 C ATOM 837 CG MET A 53 7.243 10.933 -10.647 1.00 0.00 C ATOM 838 SD MET A 53 8.966 11.335 -10.994 1.00 0.00 S ATOM 839 CE MET A 53 9.358 12.385 -9.598 1.00 0.00 C ATOM 0 H MET A 53 5.908 8.352 -10.957 1.00 0.00 H new ATOM 0 HA MET A 53 8.628 8.638 -10.235 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.034 9.863 -9.243 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.600 10.345 -8.621 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.784 10.516 -11.543 1.00 0.00 H new ATOM 0 HG3 MET A 53 6.701 11.848 -10.408 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.255 12.964 -9.819 1.00 0.00 H new ATOM 0 HE2 MET A 53 8.526 13.063 -9.408 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.532 11.768 -8.716 1.00 0.00 H new ATOM 849 N ALA A 54 6.643 7.315 -7.955 1.00 0.00 N ATOM 850 CA ALA A 54 6.640 6.480 -6.760 1.00 0.00 C ATOM 851 C ALA A 54 7.299 5.133 -7.027 1.00 0.00 C ATOM 852 O ALA A 54 8.078 4.640 -6.211 1.00 0.00 O ATOM 853 CB ALA A 54 5.219 6.287 -6.251 1.00 0.00 C ATOM 0 H ALA A 54 5.716 7.523 -8.326 1.00 0.00 H new ATOM 0 HA ALA A 54 7.221 6.990 -5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.234 5.661 -5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.785 7.257 -6.007 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.619 5.804 -7.022 1.00 0.00 H new ATOM 859 N THR A 55 6.982 4.542 -8.174 1.00 0.00 N ATOM 860 CA THR A 55 7.543 3.252 -8.552 1.00 0.00 C ATOM 861 C THR A 55 9.063 3.318 -8.645 1.00 0.00 C ATOM 862 O THR A 55 9.763 2.418 -8.182 1.00 0.00 O ATOM 863 CB THR A 55 6.978 2.760 -9.897 1.00 0.00 C ATOM 864 OG1 THR A 55 5.563 2.564 -9.781 1.00 0.00 O ATOM 865 CG2 THR A 55 7.636 1.452 -10.307 1.00 0.00 C ATOM 0 H THR A 55 6.338 4.938 -8.859 1.00 0.00 H new ATOM 0 HA THR A 55 7.259 2.547 -7.771 1.00 0.00 H new ATOM 0 HB THR A 55 7.186 3.512 -10.658 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.105 3.427 -9.863 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.224 1.120 -11.260 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.711 1.602 -10.409 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.446 0.695 -9.546 1.00 0.00 H new ATOM 873 N LEU A 56 9.567 4.390 -9.248 1.00 0.00 N ATOM 874 CA LEU A 56 11.002 4.556 -9.441 1.00 0.00 C ATOM 875 C LEU A 56 11.727 4.671 -8.106 1.00 0.00 C ATOM 876 O LEU A 56 12.768 4.046 -7.898 1.00 0.00 O ATOM 877 CB LEU A 56 11.282 5.790 -10.307 1.00 0.00 C ATOM 878 CG LEU A 56 11.552 5.500 -11.789 1.00 0.00 C ATOM 879 CD1 LEU A 56 10.705 4.323 -12.254 1.00 0.00 C ATOM 880 CD2 LEU A 56 11.249 6.742 -12.614 1.00 0.00 C ATOM 0 H LEU A 56 9.002 5.157 -9.612 1.00 0.00 H new ATOM 0 HA LEU A 56 11.379 3.671 -9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.430 6.466 -10.235 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.142 6.317 -9.894 1.00 0.00 H new ATOM 0 HG LEU A 56 12.602 5.238 -11.923 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.904 4.125 -13.307 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.955 3.440 -11.666 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.649 4.560 -12.123 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.441 6.535 -13.667 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.203 7.019 -12.484 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.886 7.563 -12.283 1.00 0.00 H new ATOM 892 N LEU A 57 11.172 5.473 -7.203 1.00 0.00 N ATOM 893 CA LEU A 57 11.783 5.697 -5.898 1.00 0.00 C ATOM 894 C LEU A 57 11.821 4.413 -5.080 1.00 0.00 C ATOM 895 O LEU A 57 12.786 4.151 -4.361 1.00 0.00 O ATOM 896 CB LEU A 57 11.024 6.792 -5.139 1.00 0.00 C ATOM 897 CG LEU A 57 11.171 8.206 -5.712 1.00 0.00 C ATOM 898 CD1 LEU A 57 10.214 9.158 -5.006 1.00 0.00 C ATOM 899 CD2 LEU A 57 12.610 8.673 -5.554 1.00 0.00 C ATOM 0 H LEU A 57 10.299 5.979 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 57 12.811 6.024 -6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.965 6.533 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.367 6.799 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 57 10.921 8.195 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.326 10.160 -5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.189 8.818 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.441 9.178 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.713 9.679 -5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.876 8.681 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.274 7.994 -6.090 1.00 0.00 H new ATOM 911 N VAL A 58 10.766 3.613 -5.194 1.00 0.00 N ATOM 912 CA VAL A 58 10.692 2.338 -4.490 1.00 0.00 C ATOM 913 C VAL A 58 11.664 1.325 -5.080 1.00 0.00 C ATOM 914 O VAL A 58 12.327 0.590 -4.350 1.00 0.00 O ATOM 915 CB VAL A 58 9.268 1.752 -4.531 1.00 0.00 C ATOM 916 CG1 VAL A 58 9.261 0.327 -3.998 1.00 0.00 C ATOM 917 CG2 VAL A 58 8.309 2.622 -3.733 1.00 0.00 C ATOM 0 H VAL A 58 9.950 3.825 -5.768 1.00 0.00 H new ATOM 0 HA VAL A 58 10.964 2.536 -3.453 1.00 0.00 H new ATOM 0 HB VAL A 58 8.935 1.734 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.247 -0.070 -4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.916 -0.293 -4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.615 0.322 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.308 2.192 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.641 2.672 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.290 3.626 -4.157 1.00 0.00 H new ATOM 927 N THR A 59 11.744 1.293 -6.407 1.00 0.00 N ATOM 928 CA THR A 59 12.588 0.327 -7.100 1.00 0.00 C ATOM 929 C THR A 59 14.065 0.637 -6.892 1.00 0.00 C ATOM 930 O THR A 59 14.862 -0.256 -6.608 1.00 0.00 O ATOM 931 CB THR A 59 12.287 0.295 -8.609 1.00 0.00 C ATOM 932 OG1 THR A 59 10.935 -0.132 -8.822 1.00 0.00 O ATOM 933 CG2 THR A 59 13.235 -0.659 -9.321 1.00 0.00 C ATOM 0 H THR A 59 11.234 1.926 -7.024 1.00 0.00 H new ATOM 0 HA THR A 59 12.362 -0.650 -6.674 1.00 0.00 H new ATOM 0 HB THR A 59 12.425 1.298 -9.013 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.324 0.611 -8.635 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.008 -0.669 -10.387 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.263 -0.329 -9.172 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.114 -1.663 -8.915 1.00 0.00 H new ATOM 941 N TYR A 60 14.423 1.908 -7.038 1.00 0.00 N ATOM 942 CA TYR A 60 15.824 2.313 -7.044 1.00 0.00 C ATOM 943 C TYR A 60 16.379 2.403 -5.629 1.00 0.00 C ATOM 944 O TYR A 60 17.541 2.079 -5.386 1.00 0.00 O ATOM 945 CB TYR A 60 15.989 3.657 -7.759 1.00 0.00 C ATOM 946 CG TYR A 60 16.038 3.548 -9.267 1.00 0.00 C ATOM 947 CD1 TYR A 60 14.894 3.267 -9.998 1.00 0.00 C ATOM 948 CD2 TYR A 60 17.229 3.727 -9.954 1.00 0.00 C ATOM 949 CE1 TYR A 60 14.933 3.166 -11.376 1.00 0.00 C ATOM 950 CE2 TYR A 60 17.281 3.629 -11.330 1.00 0.00 C ATOM 951 CZ TYR A 60 16.130 3.348 -12.039 1.00 0.00 C ATOM 952 OH TYR A 60 16.175 3.250 -13.410 1.00 0.00 O ATOM 0 H TYR A 60 13.762 2.676 -7.154 1.00 0.00 H new ATOM 0 HA TYR A 60 16.388 1.552 -7.583 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.163 4.310 -7.479 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.905 4.133 -7.409 1.00 0.00 H new ATOM 0 HD1 TYR A 60 13.956 3.125 -9.482 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.132 3.947 -9.403 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.033 2.946 -11.930 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.217 3.771 -11.849 1.00 0.00 H new ATOM 0 HH TYR A 60 17.092 3.406 -13.719 1.00 0.00 H new ATOM 962 N TYR A 61 15.541 2.844 -4.697 1.00 0.00 N ATOM 963 CA TYR A 61 15.982 3.110 -3.333 1.00 0.00 C ATOM 964 C TYR A 61 15.298 2.178 -2.341 1.00 0.00 C ATOM 965 O TYR A 61 15.960 1.496 -1.558 1.00 0.00 O ATOM 966 CB TYR A 61 15.709 4.568 -2.957 1.00 0.00 C ATOM 967 CG TYR A 61 16.399 5.572 -3.854 1.00 0.00 C ATOM 968 CD1 TYR A 61 17.691 5.996 -3.584 1.00 0.00 C ATOM 969 CD2 TYR A 61 15.755 6.094 -4.967 1.00 0.00 C ATOM 970 CE1 TYR A 61 18.327 6.913 -4.398 1.00 0.00 C ATOM 971 CE2 TYR A 61 16.382 7.012 -5.789 1.00 0.00 C ATOM 972 CZ TYR A 61 17.669 7.419 -5.500 1.00 0.00 C ATOM 973 OH TYR A 61 18.297 8.333 -6.315 1.00 0.00 O ATOM 0 H TYR A 61 14.551 3.025 -4.862 1.00 0.00 H new ATOM 0 HA TYR A 61 17.056 2.927 -3.288 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.634 4.746 -2.988 1.00 0.00 H new ATOM 0 HB3 TYR A 61 16.030 4.734 -1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 61 18.209 5.602 -2.722 1.00 0.00 H new ATOM 0 HD2 TYR A 61 14.748 5.778 -5.195 1.00 0.00 H new ATOM 0 HE1 TYR A 61 19.334 7.232 -4.173 1.00 0.00 H new ATOM 0 HE2 TYR A 61 15.868 7.408 -6.652 1.00 0.00 H new ATOM 0 HH TYR A 61 17.696 8.587 -7.046 1.00 0.00 H new ATOM 983 N GLY A 62 13.971 2.153 -2.379 1.00 0.00 N ATOM 984 CA GLY A 62 13.195 1.297 -1.489 1.00 0.00 C ATOM 985 C GLY A 62 11.931 2.001 -1.010 1.00 0.00 C ATOM 986 O GLY A 62 11.766 3.204 -1.212 1.00 0.00 O ATOM 0 H GLY A 62 13.409 2.716 -3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.927 0.377 -2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.804 1.014 -0.631 1.00 0.00 H new ATOM 990 N GLU A 63 11.043 1.244 -0.376 1.00 0.00 N ATOM 991 CA GLU A 63 9.773 1.785 0.094 1.00 0.00 C ATOM 992 C GLU A 63 9.987 2.832 1.179 1.00 0.00 C ATOM 993 O GLU A 63 9.406 3.916 1.134 1.00 0.00 O ATOM 994 CB GLU A 63 8.873 0.663 0.617 1.00 0.00 C ATOM 995 CG GLU A 63 8.335 -0.266 -0.462 1.00 0.00 C ATOM 996 CD GLU A 63 7.597 -1.431 0.137 1.00 0.00 C ATOM 997 OE1 GLU A 63 7.579 -1.543 1.339 1.00 0.00 O ATOM 998 OE2 GLU A 63 6.957 -2.146 -0.598 1.00 0.00 O ATOM 0 H GLU A 63 11.179 0.253 -0.175 1.00 0.00 H new ATOM 0 HA GLU A 63 9.283 2.267 -0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.433 0.072 1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.032 1.107 1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.668 0.288 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.159 -0.631 -1.074 1.00 0.00 H new ATOM 1005 N GLU A 64 10.826 2.501 2.156 1.00 0.00 N ATOM 1006 CA GLU A 64 11.096 3.401 3.271 1.00 0.00 C ATOM 1007 C GLU A 64 11.871 4.630 2.812 1.00 0.00 C ATOM 1008 O GLU A 64 11.737 5.710 3.388 1.00 0.00 O ATOM 1009 CB GLU A 64 11.870 2.672 4.371 1.00 0.00 C ATOM 1010 CG GLU A 64 11.062 1.619 5.116 1.00 0.00 C ATOM 1011 CD GLU A 64 11.912 0.885 6.115 1.00 0.00 C ATOM 1012 OE1 GLU A 64 13.089 1.148 6.173 1.00 0.00 O ATOM 1013 OE2 GLU A 64 11.367 0.140 6.897 1.00 0.00 O ATOM 0 H GLU A 64 11.331 1.616 2.198 1.00 0.00 H new ATOM 0 HA GLU A 64 10.138 3.733 3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.745 2.195 3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.236 3.406 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.225 2.094 5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.640 0.910 4.404 1.00 0.00 H new ATOM 1020 N TYR A 65 12.680 4.459 1.773 1.00 0.00 N ATOM 1021 CA TYR A 65 13.506 5.545 1.258 1.00 0.00 C ATOM 1022 C TYR A 65 12.737 6.392 0.252 1.00 0.00 C ATOM 1023 O TYR A 65 13.037 7.571 0.059 1.00 0.00 O ATOM 1024 CB TYR A 65 14.778 4.991 0.614 1.00 0.00 C ATOM 1025 CG TYR A 65 15.660 4.216 1.567 1.00 0.00 C ATOM 1026 CD1 TYR A 65 16.569 4.868 2.386 1.00 0.00 C ATOM 1027 CD2 TYR A 65 15.583 2.833 1.644 1.00 0.00 C ATOM 1028 CE1 TYR A 65 17.377 4.166 3.259 1.00 0.00 C ATOM 1029 CE2 TYR A 65 16.386 2.119 2.513 1.00 0.00 C ATOM 1030 CZ TYR A 65 17.282 2.790 3.319 1.00 0.00 C ATOM 1031 OH TYR A 65 18.085 2.085 4.186 1.00 0.00 O ATOM 0 H TYR A 65 12.782 3.578 1.270 1.00 0.00 H new ATOM 0 HA TYR A 65 13.783 6.181 2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 65 14.500 4.343 -0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.351 5.818 0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 65 16.647 5.944 2.341 1.00 0.00 H new ATOM 0 HD2 TYR A 65 14.883 2.305 1.014 1.00 0.00 H new ATOM 0 HE1 TYR A 65 18.079 4.690 3.891 1.00 0.00 H new ATOM 0 HE2 TYR A 65 16.312 1.043 2.561 1.00 0.00 H new ATOM 0 HH TYR A 65 17.892 1.128 4.105 1.00 0.00 H new ATOM 1041 N ALA A 66 11.744 5.785 -0.388 1.00 0.00 N ATOM 1042 CA ALA A 66 10.853 6.510 -1.287 1.00 0.00 C ATOM 1043 C ALA A 66 10.030 7.544 -0.530 1.00 0.00 C ATOM 1044 O ALA A 66 9.787 8.643 -1.027 1.00 0.00 O ATOM 1045 CB ALA A 66 9.943 5.542 -2.028 1.00 0.00 C ATOM 0 H ALA A 66 11.535 4.790 -0.301 1.00 0.00 H new ATOM 0 HA ALA A 66 11.467 7.039 -2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.285 6.099 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.548 4.849 -2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.343 4.984 -1.309 1.00 0.00 H new ATOM 1051 N VAL A 67 9.603 7.185 0.676 1.00 0.00 N ATOM 1052 CA VAL A 67 8.876 8.109 1.538 1.00 0.00 C ATOM 1053 C VAL A 67 9.758 9.274 1.966 1.00 0.00 C ATOM 1054 O VAL A 67 9.334 10.429 1.939 1.00 0.00 O ATOM 1055 CB VAL A 67 8.332 7.401 2.794 1.00 0.00 C ATOM 1056 CG1 VAL A 67 7.767 8.418 3.775 1.00 0.00 C ATOM 1057 CG2 VAL A 67 7.269 6.382 2.414 1.00 0.00 C ATOM 0 H VAL A 67 9.748 6.259 1.079 1.00 0.00 H new ATOM 0 HA VAL A 67 8.038 8.489 0.954 1.00 0.00 H new ATOM 0 HB VAL A 67 9.156 6.875 3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.387 7.901 4.656 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.553 9.112 4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.956 8.970 3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.897 5.892 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.446 6.886 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.702 5.636 1.747 1.00 0.00 H new ATOM 1067 N GLN A 68 10.989 8.964 2.359 1.00 0.00 N ATOM 1068 CA GLN A 68 11.926 9.983 2.816 1.00 0.00 C ATOM 1069 C GLN A 68 12.292 10.941 1.689 1.00 0.00 C ATOM 1070 O GLN A 68 12.356 12.154 1.890 1.00 0.00 O ATOM 1071 CB GLN A 68 13.195 9.333 3.374 1.00 0.00 C ATOM 1072 CG GLN A 68 12.997 8.616 4.699 1.00 0.00 C ATOM 1073 CD GLN A 68 14.244 7.880 5.152 1.00 0.00 C ATOM 1074 OE1 GLN A 68 15.256 7.854 4.445 1.00 0.00 O ATOM 1075 NE2 GLN A 68 14.177 7.274 6.330 1.00 0.00 N ATOM 0 H GLN A 68 11.361 8.014 2.370 1.00 0.00 H new ATOM 0 HA GLN A 68 11.436 10.551 3.607 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.577 8.621 2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.958 10.101 3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 68 12.709 9.340 5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 68 12.174 7.907 4.606 1.00 0.00 H new ATOM 0 HE21 GLN A 68 13.320 7.322 6.880 1.00 0.00 H new ATOM 0 HE22 GLN A 68 14.983 6.760 6.686 1.00 0.00 H new ATOM 1084 N LEU A 69 12.530 10.388 0.505 1.00 0.00 N ATOM 1085 CA LEU A 69 12.894 11.193 -0.656 1.00 0.00 C ATOM 1086 C LEU A 69 11.734 12.073 -1.102 1.00 0.00 C ATOM 1087 O LEU A 69 11.904 13.268 -1.338 1.00 0.00 O ATOM 1088 CB LEU A 69 13.349 10.286 -1.806 1.00 0.00 C ATOM 1089 CG LEU A 69 14.721 9.627 -1.614 1.00 0.00 C ATOM 1090 CD1 LEU A 69 14.945 8.568 -2.684 1.00 0.00 C ATOM 1091 CD2 LEU A 69 15.809 10.689 -1.670 1.00 0.00 C ATOM 0 H LEU A 69 12.478 9.386 0.323 1.00 0.00 H new ATOM 0 HA LEU A 69 13.719 11.846 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.604 9.503 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.371 10.873 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 69 14.757 9.140 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.921 8.106 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.169 7.807 -2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.906 9.032 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.783 10.219 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.780 11.189 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.645 11.420 -0.879 1.00 0.00 H new ATOM 1103 N THR A 70 10.553 11.473 -1.216 1.00 0.00 N ATOM 1104 CA THR A 70 9.356 12.208 -1.606 1.00 0.00 C ATOM 1105 C THR A 70 9.036 13.312 -0.606 1.00 0.00 C ATOM 1106 O THR A 70 8.757 14.449 -0.990 1.00 0.00 O ATOM 1107 CB THR A 70 8.136 11.276 -1.732 1.00 0.00 C ATOM 1108 OG1 THR A 70 8.356 10.338 -2.793 1.00 0.00 O ATOM 1109 CG2 THR A 70 6.879 12.079 -2.023 1.00 0.00 C ATOM 0 H THR A 70 10.400 10.479 -1.044 1.00 0.00 H new ATOM 0 HA THR A 70 9.565 12.652 -2.579 1.00 0.00 H new ATOM 0 HB THR A 70 8.005 10.745 -0.789 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.873 9.577 -2.455 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.028 11.404 -2.109 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.702 12.785 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.004 12.625 -2.958 1.00 0.00 H new ATOM 1117 N LEU A 71 9.079 12.972 0.678 1.00 0.00 N ATOM 1118 CA LEU A 71 8.829 13.942 1.736 1.00 0.00 C ATOM 1119 C LEU A 71 9.781 15.127 1.634 1.00 0.00 C ATOM 1120 O LEU A 71 9.364 16.281 1.736 1.00 0.00 O ATOM 1121 CB LEU A 71 8.956 13.273 3.110 1.00 0.00 C ATOM 1122 CG LEU A 71 8.359 14.065 4.281 1.00 0.00 C ATOM 1123 CD1 LEU A 71 8.022 13.124 5.429 1.00 0.00 C ATOM 1124 CD2 LEU A 71 9.345 15.132 4.729 1.00 0.00 C ATOM 0 H LEU A 71 9.285 12.030 1.011 1.00 0.00 H new ATOM 0 HA LEU A 71 7.812 14.317 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.471 12.298 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.012 13.095 3.313 1.00 0.00 H new ATOM 0 HG LEU A 71 7.439 14.553 3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.599 13.695 6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.297 12.383 5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.928 12.619 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.920 15.694 5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.274 14.658 5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.549 15.810 3.900 1.00 0.00 H new ATOM 1136 N GLN A 72 11.061 14.835 1.432 1.00 0.00 N ATOM 1137 CA GLN A 72 12.076 15.876 1.319 1.00 0.00 C ATOM 1138 C GLN A 72 11.778 16.812 0.155 1.00 0.00 C ATOM 1139 O GLN A 72 11.930 18.028 0.270 1.00 0.00 O ATOM 1140 CB GLN A 72 13.464 15.254 1.141 1.00 0.00 C ATOM 1141 CG GLN A 72 14.599 16.263 1.118 1.00 0.00 C ATOM 1142 CD GLN A 72 14.743 17.002 2.434 1.00 0.00 C ATOM 1143 OE1 GLN A 72 14.732 16.395 3.508 1.00 0.00 O ATOM 1144 NE2 GLN A 72 14.873 18.322 2.359 1.00 0.00 N ATOM 0 H GLN A 72 11.421 13.885 1.343 1.00 0.00 H new ATOM 0 HA GLN A 72 12.059 16.457 2.241 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.639 14.545 1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.479 14.686 0.211 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.533 15.750 0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.426 16.982 0.318 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.877 18.783 1.449 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.969 18.874 3.211 1.00 0.00 H new ATOM 1153 N VAL A 73 11.354 16.237 -0.966 1.00 0.00 N ATOM 1154 CA VAL A 73 11.033 17.020 -2.154 1.00 0.00 C ATOM 1155 C VAL A 73 9.754 17.824 -1.955 1.00 0.00 C ATOM 1156 O VAL A 73 9.643 18.957 -2.424 1.00 0.00 O ATOM 1157 CB VAL A 73 10.877 16.123 -3.396 1.00 0.00 C ATOM 1158 CG1 VAL A 73 10.391 16.939 -4.584 1.00 0.00 C ATOM 1159 CG2 VAL A 73 12.194 15.436 -3.727 1.00 0.00 C ATOM 0 H VAL A 73 11.225 15.231 -1.077 1.00 0.00 H new ATOM 0 HA VAL A 73 11.866 17.704 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 73 10.134 15.357 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.286 16.290 -5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.426 17.387 -4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.112 17.726 -4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 73 12.065 14.806 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.957 16.189 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.505 14.820 -2.883 1.00 0.00 H new ATOM 1169 N LEU A 74 8.792 17.231 -1.258 1.00 0.00 N ATOM 1170 CA LEU A 74 7.546 17.918 -0.937 1.00 0.00 C ATOM 1171 C LEU A 74 7.807 19.188 -0.138 1.00 0.00 C ATOM 1172 O LEU A 74 7.137 20.203 -0.332 1.00 0.00 O ATOM 1173 CB LEU A 74 6.610 16.981 -0.160 1.00 0.00 C ATOM 1174 CG LEU A 74 5.957 15.872 -0.995 1.00 0.00 C ATOM 1175 CD1 LEU A 74 5.224 14.897 -0.083 1.00 0.00 C ATOM 1176 CD2 LEU A 74 5.001 16.491 -2.004 1.00 0.00 C ATOM 0 H LEU A 74 8.850 16.276 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 74 7.066 18.204 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.174 16.519 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.823 17.579 0.300 1.00 0.00 H new ATOM 0 HG LEU A 74 6.727 15.321 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.763 14.113 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.931 14.450 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.452 15.429 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.537 15.703 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.228 17.051 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.552 17.164 -2.662 1.00 0.00 H new ATOM 1188 N ARG A 75 8.783 19.125 0.760 1.00 0.00 N ATOM 1189 CA ARG A 75 9.236 20.309 1.483 1.00 0.00 C ATOM 1190 C ARG A 75 10.024 21.241 0.572 1.00 0.00 C ATOM 1191 O ARG A 75 9.954 22.463 0.708 1.00 0.00 O ATOM 1192 CB ARG A 75 10.029 19.951 2.731 1.00 0.00 C ATOM 1193 CG ARG A 75 9.203 19.371 3.868 1.00 0.00 C ATOM 1194 CD ARG A 75 9.991 19.004 5.073 1.00 0.00 C ATOM 1195 NE ARG A 75 9.194 18.526 6.191 1.00 0.00 N ATOM 1196 CZ ARG A 75 9.703 18.051 7.346 1.00 0.00 C ATOM 1197 NH1 ARG A 75 11.002 17.954 7.524 1.00 0.00 N ATOM 1198 NH2 ARG A 75 8.860 17.663 8.286 1.00 0.00 N ATOM 0 H ARG A 75 9.277 18.267 1.006 1.00 0.00 H new ATOM 0 HA ARG A 75 8.345 20.841 1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.802 19.232 2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.538 20.846 3.090 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.441 20.096 4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.681 18.485 3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.711 18.232 4.800 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.563 19.874 5.396 1.00 0.00 H new ATOM 0 HE ARG A 75 8.179 18.552 6.095 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.641 18.240 6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.371 17.593 8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.854 17.727 8.127 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.215 17.299 9.170 1.00 0.00 H new ATOM 1212 N ALA A 76 10.774 20.660 -0.358 1.00 0.00 N ATOM 1213 CA ALA A 76 11.601 21.438 -1.272 1.00 0.00 C ATOM 1214 C ALA A 76 10.747 22.304 -2.188 1.00 0.00 C ATOM 1215 O ALA A 76 11.162 23.388 -2.597 1.00 0.00 O ATOM 1216 CB ALA A 76 12.496 20.517 -2.091 1.00 0.00 C ATOM 0 H ALA A 76 10.826 19.651 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 76 12.229 22.100 -0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.108 21.112 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.143 19.949 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.879 19.829 -2.669 1.00 0.00 H new ATOM 1222 N ILE A 77 9.551 21.820 -2.507 1.00 0.00 N ATOM 1223 CA ILE A 77 8.652 22.532 -3.406 1.00 0.00 C ATOM 1224 C ILE A 77 7.715 23.452 -2.633 1.00 0.00 C ATOM 1225 O ILE A 77 6.847 24.101 -3.216 1.00 0.00 O ATOM 1226 CB ILE A 77 7.816 21.558 -4.256 1.00 0.00 C ATOM 1227 CG1 ILE A 77 6.892 20.726 -3.361 1.00 0.00 C ATOM 1228 CG2 ILE A 77 8.722 20.655 -5.077 1.00 0.00 C ATOM 1229 CD1 ILE A 77 5.894 19.888 -4.126 1.00 0.00 C ATOM 0 H ILE A 77 9.182 20.936 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 77 9.278 23.131 -4.068 1.00 0.00 H new ATOM 0 HB ILE A 77 7.199 22.139 -4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.500 20.071 -2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.352 21.395 -2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.114 19.973 -5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.338 21.263 -5.739 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.364 20.080 -4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.276 19.328 -3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.260 20.538 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.425 19.193 -4.777 1.00 0.00 H new ATOM 1241 N ASN A 78 7.894 23.502 -1.317 1.00 0.00 N ATOM 1242 CA ASN A 78 7.066 24.343 -0.463 1.00 0.00 C ATOM 1243 C ASN A 78 5.661 23.771 -0.323 1.00 0.00 C ATOM 1244 O ASN A 78 4.672 24.488 -0.472 1.00 0.00 O ATOM 1245 CB ASN A 78 7.003 25.769 -0.979 1.00 0.00 C ATOM 1246 CG ASN A 78 8.313 26.502 -0.891 1.00 0.00 C ATOM 1247 OD1 ASN A 78 9.167 26.192 -0.052 1.00 0.00 O ATOM 1248 ND2 ASN A 78 8.442 27.525 -1.697 1.00 0.00 N ATOM 0 H ASN A 78 8.607 22.969 -0.819 1.00 0.00 H new ATOM 0 HA ASN A 78 7.533 24.359 0.522 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.673 25.756 -2.018 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.251 26.318 -0.413 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.277 28.109 -1.650 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.708 27.738 -2.372 1.00 0.00 H new ATOM 1255 N GLN A 79 5.580 22.477 -0.034 1.00 0.00 N ATOM 1256 CA GLN A 79 4.311 21.844 0.302 1.00 0.00 C ATOM 1257 C GLN A 79 4.426 21.019 1.577 1.00 0.00 C ATOM 1258 O GLN A 79 4.378 19.789 1.538 1.00 0.00 O ATOM 1259 CB GLN A 79 3.834 20.953 -0.848 1.00 0.00 C ATOM 1260 CG GLN A 79 3.513 21.708 -2.128 1.00 0.00 C ATOM 1261 CD GLN A 79 2.299 22.605 -1.982 1.00 0.00 C ATOM 1262 OE1 GLN A 79 1.334 22.260 -1.294 1.00 0.00 O ATOM 1263 NE2 GLN A 79 2.339 23.762 -2.632 1.00 0.00 N ATOM 0 H GLN A 79 6.381 21.845 -0.026 1.00 0.00 H new ATOM 0 HA GLN A 79 3.581 22.637 0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.603 20.210 -1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.945 20.409 -0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.374 22.311 -2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 79 3.339 20.994 -2.933 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.158 24.006 -3.189 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.551 24.407 -2.574 1.00 0.00 H new ATOM 1272 N ARG A 80 4.580 21.702 2.705 1.00 0.00 N ATOM 1273 CA ARG A 80 4.805 21.033 3.982 1.00 0.00 C ATOM 1274 C ARG A 80 3.595 20.203 4.390 1.00 0.00 C ATOM 1275 O ARG A 80 3.729 19.184 5.068 1.00 0.00 O ATOM 1276 CB ARG A 80 5.207 22.009 5.078 1.00 0.00 C ATOM 1277 CG ARG A 80 6.601 22.598 4.930 1.00 0.00 C ATOM 1278 CD ARG A 80 6.952 23.607 5.963 1.00 0.00 C ATOM 1279 NE ARG A 80 8.280 24.180 5.819 1.00 0.00 N ATOM 1280 CZ ARG A 80 8.779 25.160 6.597 1.00 0.00 C ATOM 1281 NH1 ARG A 80 8.054 25.705 7.549 1.00 0.00 N ATOM 1282 NH2 ARG A 80 10.010 25.577 6.362 1.00 0.00 N ATOM 0 H ARG A 80 4.553 22.720 2.762 1.00 0.00 H new ATOM 0 HA ARG A 80 5.645 20.352 3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.484 22.825 5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.144 21.499 6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.330 21.789 4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.685 23.059 3.946 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.217 24.412 5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.875 23.144 6.947 1.00 0.00 H new ATOM 0 HE ARG A 80 8.876 23.814 5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.098 25.387 7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.448 26.446 8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.555 25.158 5.608 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.416 26.318 6.934 1.00 0.00 H new ATOM 1296 N LEU A 81 2.413 20.644 3.972 1.00 0.00 N ATOM 1297 CA LEU A 81 1.183 19.907 4.237 1.00 0.00 C ATOM 1298 C LEU A 81 1.280 18.474 3.731 1.00 0.00 C ATOM 1299 O LEU A 81 1.039 17.525 4.478 1.00 0.00 O ATOM 1300 CB LEU A 81 -0.011 20.622 3.591 1.00 0.00 C ATOM 1301 CG LEU A 81 -1.360 19.904 3.742 1.00 0.00 C ATOM 1302 CD1 LEU A 81 -1.730 19.794 5.215 1.00 0.00 C ATOM 1303 CD2 LEU A 81 -2.428 20.665 2.972 1.00 0.00 C ATOM 0 H LEU A 81 2.281 21.509 3.448 1.00 0.00 H new ATOM 0 HA LEU A 81 1.034 19.872 5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.097 21.618 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.196 20.754 2.529 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.285 18.896 3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.688 19.283 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.962 19.228 5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.805 20.792 5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.386 20.156 3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.509 21.678 3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.155 20.708 1.918 1.00 0.00 H new ATOM 1315 N LEU A 82 1.634 18.323 2.460 1.00 0.00 N ATOM 1316 CA LEU A 82 1.744 17.005 1.847 1.00 0.00 C ATOM 1317 C LEU A 82 2.863 16.192 2.486 1.00 0.00 C ATOM 1318 O LEU A 82 2.760 14.971 2.616 1.00 0.00 O ATOM 1319 CB LEU A 82 1.978 17.139 0.338 1.00 0.00 C ATOM 1320 CG LEU A 82 0.787 17.684 -0.461 1.00 0.00 C ATOM 1321 CD1 LEU A 82 1.185 17.888 -1.918 1.00 0.00 C ATOM 1322 CD2 LEU A 82 -0.382 16.717 -0.353 1.00 0.00 C ATOM 0 H LEU A 82 1.850 19.098 1.833 1.00 0.00 H new ATOM 0 HA LEU A 82 0.806 16.476 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.834 17.794 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.245 16.160 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 82 0.485 18.648 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.333 18.275 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.009 18.599 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.498 16.936 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.228 17.104 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.090 15.747 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.667 16.606 0.693 1.00 0.00 H new ATOM 1334 N ALA A 83 3.931 16.874 2.884 1.00 0.00 N ATOM 1335 CA ALA A 83 5.054 16.222 3.548 1.00 0.00 C ATOM 1336 C ALA A 83 4.633 15.629 4.885 1.00 0.00 C ATOM 1337 O ALA A 83 5.071 14.540 5.259 1.00 0.00 O ATOM 1338 CB ALA A 83 6.200 17.205 3.737 1.00 0.00 C ATOM 0 H ALA A 83 4.043 17.880 2.758 1.00 0.00 H new ATOM 0 HA ALA A 83 5.395 15.405 2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.031 16.704 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.527 17.573 2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.864 18.043 4.348 1.00 0.00 H new ATOM 1344 N GLU A 84 3.780 16.350 5.605 1.00 0.00 N ATOM 1345 CA GLU A 84 3.296 15.894 6.903 1.00 0.00 C ATOM 1346 C GLU A 84 2.234 14.813 6.745 1.00 0.00 C ATOM 1347 O GLU A 84 2.128 13.910 7.575 1.00 0.00 O ATOM 1348 CB GLU A 84 2.736 17.069 7.708 1.00 0.00 C ATOM 1349 CG GLU A 84 3.780 18.086 8.146 1.00 0.00 C ATOM 1350 CD GLU A 84 4.886 17.432 8.926 1.00 0.00 C ATOM 1351 OE1 GLU A 84 4.595 16.771 9.894 1.00 0.00 O ATOM 1352 OE2 GLU A 84 6.012 17.500 8.492 1.00 0.00 O ATOM 0 H GLU A 84 3.409 17.254 5.311 1.00 0.00 H new ATOM 0 HA GLU A 84 4.140 15.466 7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.981 17.577 7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.232 16.680 8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.195 18.584 7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.307 18.856 8.756 1.00 0.00 H new ATOM 1359 N GLU A 85 1.451 14.912 5.678 1.00 0.00 N ATOM 1360 CA GLU A 85 0.452 13.897 5.365 1.00 0.00 C ATOM 1361 C GLU A 85 1.106 12.603 4.901 1.00 0.00 C ATOM 1362 O GLU A 85 0.599 11.512 5.158 1.00 0.00 O ATOM 1363 CB GLU A 85 -0.516 14.411 4.294 1.00 0.00 C ATOM 1364 CG GLU A 85 -1.498 15.463 4.788 1.00 0.00 C ATOM 1365 CD GLU A 85 -2.334 14.942 5.922 1.00 0.00 C ATOM 1366 OE1 GLU A 85 -2.916 13.894 5.774 1.00 0.00 O ATOM 1367 OE2 GLU A 85 -2.301 15.530 6.978 1.00 0.00 O ATOM 0 H GLU A 85 1.488 15.685 5.014 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.106 13.687 6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.062 14.829 3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.077 13.567 3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.952 16.348 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.146 15.772 3.968 1.00 0.00 H new ATOM 1374 N LEU A 86 2.238 12.731 4.215 1.00 0.00 N ATOM 1375 CA LEU A 86 3.035 11.573 3.829 1.00 0.00 C ATOM 1376 C LEU A 86 3.696 10.929 5.041 1.00 0.00 C ATOM 1377 O LEU A 86 3.759 9.705 5.149 1.00 0.00 O ATOM 1378 CB LEU A 86 4.095 11.979 2.796 1.00 0.00 C ATOM 1379 CG LEU A 86 5.004 10.843 2.312 1.00 0.00 C ATOM 1380 CD1 LEU A 86 4.167 9.739 1.678 1.00 0.00 C ATOM 1381 CD2 LEU A 86 6.017 11.390 1.319 1.00 0.00 C ATOM 0 H LEU A 86 2.624 13.626 3.915 1.00 0.00 H new ATOM 0 HA LEU A 86 2.367 10.837 3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.590 12.412 1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.718 12.763 3.227 1.00 0.00 H new ATOM 0 HG LEU A 86 5.540 10.419 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.821 8.937 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.465 9.347 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.615 10.143 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.663 10.582 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.494 11.823 0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.622 12.157 1.802 1.00 0.00 H new ATOM 1393 N HIS A 87 4.187 11.762 5.952 1.00 0.00 N ATOM 1394 CA HIS A 87 4.659 11.289 7.248 1.00 0.00 C ATOM 1395 C HIS A 87 3.567 10.525 7.987 1.00 0.00 C ATOM 1396 O HIS A 87 3.814 9.458 8.548 1.00 0.00 O ATOM 1397 CB HIS A 87 5.152 12.458 8.105 1.00 0.00 C ATOM 1398 CG HIS A 87 5.570 12.058 9.486 1.00 0.00 C ATOM 1399 ND1 HIS A 87 6.745 11.381 9.740 1.00 0.00 N ATOM 1400 CD2 HIS A 87 4.972 12.238 10.686 1.00 0.00 C ATOM 1401 CE1 HIS A 87 6.850 11.162 11.039 1.00 0.00 C ATOM 1402 NE2 HIS A 87 5.787 11.671 11.635 1.00 0.00 N ATOM 0 H HIS A 87 4.269 12.770 5.816 1.00 0.00 H new ATOM 0 HA HIS A 87 5.492 10.609 7.067 1.00 0.00 H new ATOM 0 HB2 HIS A 87 5.995 12.934 7.604 1.00 0.00 H new ATOM 0 HB3 HIS A 87 4.360 13.204 8.176 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.030 12.735 10.864 1.00 0.00 H new ATOM 0 HE1 HIS A 87 7.666 10.653 11.530 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.601 11.647 12.638 1.00 0.00 H new ATOM 1410 N ARG A 88 2.360 11.079 7.983 1.00 0.00 N ATOM 1411 CA ARG A 88 1.214 10.423 8.602 1.00 0.00 C ATOM 1412 C ARG A 88 0.863 9.129 7.879 1.00 0.00 C ATOM 1413 O ARG A 88 0.447 8.152 8.502 1.00 0.00 O ATOM 1414 CB ARG A 88 0.010 11.347 8.705 1.00 0.00 C ATOM 1415 CG ARG A 88 0.133 12.443 9.751 1.00 0.00 C ATOM 1416 CD ARG A 88 -0.923 13.485 9.674 1.00 0.00 C ATOM 1417 NE ARG A 88 -0.891 14.456 10.756 1.00 0.00 N ATOM 1418 CZ ARG A 88 -1.546 15.634 10.747 1.00 0.00 C ATOM 1419 NH1 ARG A 88 -2.254 16.006 9.704 1.00 0.00 N ATOM 1420 NH2 ARG A 88 -1.441 16.416 11.807 1.00 0.00 N ATOM 0 H ARG A 88 2.149 11.982 7.558 1.00 0.00 H new ATOM 0 HA ARG A 88 1.504 10.168 9.621 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.159 11.810 7.733 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.872 10.747 8.930 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.106 11.988 10.741 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.107 12.921 9.646 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.826 14.013 8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.898 12.997 9.669 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.334 14.230 11.580 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.314 15.400 8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.744 16.901 9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.875 16.122 12.603 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.925 17.313 11.829 1.00 0.00 H new ATOM 1434 N ALA A 89 1.033 9.129 6.561 1.00 0.00 N ATOM 1435 CA ALA A 89 0.833 7.924 5.763 1.00 0.00 C ATOM 1436 C ALA A 89 1.856 6.853 6.119 1.00 0.00 C ATOM 1437 O ALA A 89 1.531 5.666 6.175 1.00 0.00 O ATOM 1438 CB ALA A 89 0.901 8.255 4.280 1.00 0.00 C ATOM 0 H ALA A 89 1.309 9.950 6.022 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.158 7.529 5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.750 7.346 3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.124 8.978 4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.878 8.678 4.046 1.00 0.00 H new ATOM 1444 N ALA A 90 3.092 7.277 6.357 1.00 0.00 N ATOM 1445 CA ALA A 90 4.151 6.361 6.761 1.00 0.00 C ATOM 1446 C ALA A 90 3.861 5.751 8.126 1.00 0.00 C ATOM 1447 O ALA A 90 4.199 4.595 8.385 1.00 0.00 O ATOM 1448 CB ALA A 90 5.495 7.076 6.772 1.00 0.00 C ATOM 0 H ALA A 90 3.385 8.251 6.277 1.00 0.00 H new ATOM 0 HA ALA A 90 4.191 5.550 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.276 6.379 7.076 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.714 7.454 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.459 7.908 7.475 1.00 0.00 H new ATOM 1454 N ILE A 91 3.231 6.533 8.997 1.00 0.00 N ATOM 1455 CA ILE A 91 2.777 6.031 10.288 1.00 0.00 C ATOM 1456 C ILE A 91 1.708 4.960 10.118 1.00 0.00 C ATOM 1457 O ILE A 91 1.716 3.945 10.815 1.00 0.00 O ATOM 1458 CB ILE A 91 2.221 7.163 11.170 1.00 0.00 C ATOM 1459 CG1 ILE A 91 3.345 8.115 11.588 1.00 0.00 C ATOM 1460 CG2 ILE A 91 1.522 6.591 12.393 1.00 0.00 C ATOM 1461 CD1 ILE A 91 2.855 9.397 12.223 1.00 0.00 C ATOM 0 H ILE A 91 3.023 7.518 8.831 1.00 0.00 H new ATOM 0 HA ILE A 91 3.647 5.595 10.779 1.00 0.00 H new ATOM 0 HB ILE A 91 1.490 7.726 10.590 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.002 7.601 12.290 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.945 8.361 10.712 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.135 7.406 13.005 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.698 5.953 12.076 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.232 6.004 12.976 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.709 10.019 12.492 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.222 9.934 11.516 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.280 9.163 13.119 1.00 0.00 H new ATOM 1473 N GLN A 92 0.787 5.192 9.189 1.00 0.00 N ATOM 1474 CA GLN A 92 -0.255 4.220 8.881 1.00 0.00 C ATOM 1475 C GLN A 92 0.337 2.948 8.288 1.00 0.00 C ATOM 1476 O GLN A 92 -0.130 1.844 8.569 1.00 0.00 O ATOM 1477 CB GLN A 92 -1.276 4.816 7.909 1.00 0.00 C ATOM 1478 CG GLN A 92 -2.153 5.899 8.515 1.00 0.00 C ATOM 1479 CD GLN A 92 -3.050 6.561 7.486 1.00 0.00 C ATOM 1480 OE1 GLN A 92 -2.994 6.239 6.295 1.00 0.00 O ATOM 1481 NE2 GLN A 92 -3.879 7.494 7.938 1.00 0.00 N ATOM 0 H GLN A 92 0.741 6.047 8.635 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.756 3.966 9.815 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.746 5.231 7.052 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -1.913 4.016 7.533 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.768 5.465 9.304 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.522 6.655 8.982 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.891 7.728 8.931 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -4.504 7.977 7.293 1.00 0.00 H new ATOM 1490 N LEU A 93 1.368 3.108 7.466 1.00 0.00 N ATOM 1491 CA LEU A 93 2.070 1.970 6.884 1.00 0.00 C ATOM 1492 C LEU A 93 2.737 1.124 7.961 1.00 0.00 C ATOM 1493 O LEU A 93 2.088 0.340 8.595 1.00 0.00 O ATOM 1494 CB LEU A 93 3.109 2.452 5.863 1.00 0.00 C ATOM 1495 CG LEU A 93 2.529 3.020 4.561 1.00 0.00 C ATOM 1496 CD1 LEU A 93 3.635 3.663 3.736 1.00 0.00 C ATOM 1497 CD2 LEU A 93 1.851 1.905 3.778 1.00 0.00 C ATOM 0 H LEU A 93 1.737 4.017 7.187 1.00 0.00 H new ATOM 0 HA LEU A 93 1.336 1.346 6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.727 3.218 6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.767 1.618 5.616 1.00 0.00 H new ATOM 0 HG LEU A 93 1.788 3.785 4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.215 4.064 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.092 4.471 4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.391 2.916 3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.439 2.308 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.581 1.130 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.047 1.477 4.377 1.00 0.00 H new TER 1509 LEU A 93