USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 540 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 NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 28 HIS : no HD1:sc= -1.78! C(o=-2!,f=-6.9!) USER MOD Set 1.2: A 35 CYS SG : rot 120:sc= -0.21 USER MOD Set 2.1: A 14 ASN : amide:sc= -1.33 K(o=-1.8,f=-4.5!) USER MOD Set 2.2: A 39 SER OG : rot 180:sc= -0.469 USER MOD Set 3.1: A 5 SER OG : rot 180:sc= -0.017 USER MOD Set 3.2: A 6 SER OG : rot 36:sc= 0.4 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -111:sc= -2.77 (180deg=-5.98!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.652 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.255) USER MOD Single : A 24 GLN : amide:sc= -1.74 K(o=-1.7,f=-5.9!) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00944) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.0744 K(o=-0.074,f=-1.6) USER MOD Single : A 37 CYS SG : rot 109:sc= 0.13 USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0168) USER MOD Single : A 52 TYR OH : rot 15:sc= -0.347 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 29:sc= 0.369 USER MOD Single : A 63 GLN : amide:sc=-0.00308 K(o=-0.0031,f=-1.1) USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000329) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.275 23.587 12.998 1.00 0.00 N ATOM 2 CA GLY A 1 12.296 23.390 11.945 1.00 0.00 C ATOM 3 C GLY A 1 11.079 22.623 12.420 1.00 0.00 C ATOM 4 O GLY A 1 11.143 21.411 12.630 1.00 0.00 O ATOM 0 H1 GLY A 1 14.087 24.116 12.622 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.843 24.123 13.778 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.597 22.663 13.350 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.982 24.360 11.559 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.760 22.853 11.118 1.00 0.00 H new ATOM 8 N SER A 2 9.966 23.329 12.592 1.00 0.00 N ATOM 9 CA SER A 2 8.729 22.707 13.052 1.00 0.00 C ATOM 10 C SER A 2 7.605 22.924 12.044 1.00 0.00 C ATOM 11 O SER A 2 6.906 21.984 11.665 1.00 0.00 O ATOM 12 CB SER A 2 8.325 23.273 14.414 1.00 0.00 C ATOM 13 OG SER A 2 9.398 23.200 15.336 1.00 0.00 O ATOM 0 H SER A 2 9.895 24.332 12.420 1.00 0.00 H new ATOM 0 HA SER A 2 8.904 21.636 13.150 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.009 24.310 14.301 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.470 22.719 14.802 1.00 0.00 H new ATOM 0 HG SER A 2 9.114 23.570 16.198 1.00 0.00 H new ATOM 19 N SER A 3 7.437 24.170 11.613 1.00 0.00 N ATOM 20 CA SER A 3 6.396 24.513 10.651 1.00 0.00 C ATOM 21 C SER A 3 6.480 23.620 9.417 1.00 0.00 C ATOM 22 O SER A 3 7.556 23.420 8.854 1.00 0.00 O ATOM 23 CB SER A 3 6.515 25.982 10.241 1.00 0.00 C ATOM 24 OG SER A 3 6.531 26.829 11.376 1.00 0.00 O ATOM 0 H SER A 3 8.009 24.959 11.915 1.00 0.00 H new ATOM 0 HA SER A 3 5.429 24.353 11.128 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.427 26.128 9.662 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.680 26.251 9.594 1.00 0.00 H new ATOM 0 HG SER A 3 6.609 27.762 11.087 1.00 0.00 H new ATOM 30 N GLY A 4 5.336 23.083 9.003 1.00 0.00 N ATOM 31 CA GLY A 4 5.301 22.217 7.839 1.00 0.00 C ATOM 32 C GLY A 4 3.973 21.502 7.688 1.00 0.00 C ATOM 33 O GLY A 4 3.672 20.573 8.437 1.00 0.00 O ATOM 0 H GLY A 4 4.433 23.232 9.453 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.496 22.808 6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.100 21.480 7.914 1.00 0.00 H new ATOM 37 N SER A 5 3.176 21.937 6.717 1.00 0.00 N ATOM 38 CA SER A 5 1.870 21.335 6.474 1.00 0.00 C ATOM 39 C SER A 5 2.018 19.945 5.863 1.00 0.00 C ATOM 40 O SER A 5 1.390 18.987 6.314 1.00 0.00 O ATOM 41 CB SER A 5 1.040 22.226 5.548 1.00 0.00 C ATOM 42 OG SER A 5 1.724 22.476 4.332 1.00 0.00 O ATOM 0 H SER A 5 3.411 22.703 6.086 1.00 0.00 H new ATOM 0 HA SER A 5 1.357 21.239 7.431 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.083 21.747 5.339 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.821 23.170 6.047 1.00 0.00 H new ATOM 0 HG SER A 5 1.172 23.046 3.757 1.00 0.00 H new ATOM 48 N SER A 6 2.853 19.843 4.834 1.00 0.00 N ATOM 49 CA SER A 6 3.082 18.572 4.158 1.00 0.00 C ATOM 50 C SER A 6 4.572 18.336 3.933 1.00 0.00 C ATOM 51 O SER A 6 5.187 18.959 3.068 1.00 0.00 O ATOM 52 CB SER A 6 2.341 18.542 2.819 1.00 0.00 C ATOM 53 OG SER A 6 2.670 19.671 2.029 1.00 0.00 O ATOM 0 H SER A 6 3.382 20.626 4.450 1.00 0.00 H new ATOM 0 HA SER A 6 2.699 17.775 4.796 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.596 17.630 2.279 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.266 18.518 2.995 1.00 0.00 H new ATOM 0 HG SER A 6 3.612 19.902 2.166 1.00 0.00 H new ATOM 59 N GLY A 7 5.147 17.431 4.719 1.00 0.00 N ATOM 60 CA GLY A 7 6.561 17.128 4.591 1.00 0.00 C ATOM 61 C GLY A 7 6.850 16.189 3.437 1.00 0.00 C ATOM 62 O GLY A 7 7.445 16.589 2.437 1.00 0.00 O ATOM 0 H GLY A 7 4.659 16.902 5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.117 18.055 4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.919 16.680 5.518 1.00 0.00 H new ATOM 66 N MET A 8 6.430 14.936 3.577 1.00 0.00 N ATOM 67 CA MET A 8 6.648 13.937 2.537 1.00 0.00 C ATOM 68 C MET A 8 5.404 13.076 2.340 1.00 0.00 C ATOM 69 O MET A 8 4.626 12.869 3.271 1.00 0.00 O ATOM 70 CB MET A 8 7.843 13.051 2.894 1.00 0.00 C ATOM 71 CG MET A 8 8.598 12.531 1.681 1.00 0.00 C ATOM 72 SD MET A 8 9.510 11.015 2.029 1.00 0.00 S ATOM 73 CE MET A 8 8.165 9.860 2.281 1.00 0.00 C ATOM 0 H MET A 8 5.937 14.588 4.400 1.00 0.00 H new ATOM 0 HA MET A 8 6.858 14.460 1.604 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.529 13.617 3.524 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.493 12.204 3.485 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.893 12.348 0.870 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.292 13.297 1.334 1.00 0.00 H new ATOM 0 HE1 MET A 8 8.129 9.567 3.330 1.00 0.00 H new ATOM 0 HE2 MET A 8 7.223 10.333 2.003 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.324 8.976 1.663 1.00 0.00 H new ATOM 83 N VAL A 9 5.222 12.578 1.121 1.00 0.00 N ATOM 84 CA VAL A 9 4.072 11.739 0.802 1.00 0.00 C ATOM 85 C VAL A 9 4.331 10.286 1.181 1.00 0.00 C ATOM 86 O VAL A 9 5.379 9.725 0.859 1.00 0.00 O ATOM 87 CB VAL A 9 3.722 11.813 -0.696 1.00 0.00 C ATOM 88 CG1 VAL A 9 2.481 10.987 -0.996 1.00 0.00 C ATOM 89 CG2 VAL A 9 3.527 13.259 -1.127 1.00 0.00 C ATOM 0 H VAL A 9 5.856 12.741 0.338 1.00 0.00 H new ATOM 0 HA VAL A 9 3.232 12.119 1.383 1.00 0.00 H new ATOM 0 HB VAL A 9 4.553 11.397 -1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.249 11.051 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.663 9.947 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.640 11.370 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.280 13.292 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.715 13.704 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.446 13.818 -0.950 1.00 0.00 H new ATOM 99 N PHE A 10 3.368 9.679 1.868 1.00 0.00 N ATOM 100 CA PHE A 10 3.491 8.289 2.292 1.00 0.00 C ATOM 101 C PHE A 10 2.461 7.412 1.586 1.00 0.00 C ATOM 102 O PHE A 10 1.688 7.889 0.754 1.00 0.00 O ATOM 103 CB PHE A 10 3.317 8.180 3.808 1.00 0.00 C ATOM 104 CG PHE A 10 4.499 8.685 4.585 1.00 0.00 C ATOM 105 CD1 PHE A 10 4.949 9.985 4.420 1.00 0.00 C ATOM 106 CD2 PHE A 10 5.161 7.860 5.480 1.00 0.00 C ATOM 107 CE1 PHE A 10 6.036 10.453 5.134 1.00 0.00 C ATOM 108 CE2 PHE A 10 6.248 8.322 6.196 1.00 0.00 C ATOM 109 CZ PHE A 10 6.687 9.620 6.022 1.00 0.00 C ATOM 0 H PHE A 10 2.494 10.128 2.143 1.00 0.00 H new ATOM 0 HA PHE A 10 4.487 7.939 2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.431 8.741 4.105 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.138 7.137 4.071 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.445 10.640 3.725 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.823 6.844 5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.376 11.469 4.997 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.754 7.669 6.891 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.538 9.983 6.580 1.00 0.00 H new ATOM 119 N PHE A 11 2.457 6.127 1.924 1.00 0.00 N ATOM 120 CA PHE A 11 1.524 5.181 1.322 1.00 0.00 C ATOM 121 C PHE A 11 1.335 3.960 2.216 1.00 0.00 C ATOM 122 O PHE A 11 2.244 3.563 2.946 1.00 0.00 O ATOM 123 CB PHE A 11 2.024 4.746 -0.057 1.00 0.00 C ATOM 124 CG PHE A 11 2.139 5.877 -1.038 1.00 0.00 C ATOM 125 CD1 PHE A 11 3.298 6.633 -1.111 1.00 0.00 C ATOM 126 CD2 PHE A 11 1.088 6.185 -1.887 1.00 0.00 C ATOM 127 CE1 PHE A 11 3.407 7.675 -2.012 1.00 0.00 C ATOM 128 CE2 PHE A 11 1.192 7.226 -2.791 1.00 0.00 C ATOM 129 CZ PHE A 11 2.353 7.972 -2.853 1.00 0.00 C ATOM 0 H PHE A 11 3.089 5.717 2.611 1.00 0.00 H new ATOM 0 HA PHE A 11 0.561 5.680 1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.999 4.270 0.052 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.346 3.994 -0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.126 6.405 -0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.178 5.606 -1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.316 8.257 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.366 7.456 -3.448 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.436 8.786 -3.558 1.00 0.00 H new ATOM 139 N THR A 12 0.147 3.366 2.155 1.00 0.00 N ATOM 140 CA THR A 12 -0.164 2.191 2.959 1.00 0.00 C ATOM 141 C THR A 12 -0.253 0.940 2.093 1.00 0.00 C ATOM 142 O THR A 12 -1.231 0.741 1.371 1.00 0.00 O ATOM 143 CB THR A 12 -1.489 2.368 3.724 1.00 0.00 C ATOM 144 OG1 THR A 12 -1.375 3.449 4.657 1.00 0.00 O ATOM 145 CG2 THR A 12 -1.861 1.092 4.463 1.00 0.00 C ATOM 0 H THR A 12 -0.616 3.680 1.556 1.00 0.00 H new ATOM 0 HA THR A 12 0.648 2.075 3.677 1.00 0.00 H new ATOM 0 HB THR A 12 -2.273 2.593 3.001 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.222 3.556 5.138 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.800 1.241 4.996 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.975 0.277 3.748 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.075 0.842 5.176 1.00 0.00 H new ATOM 153 N CYS A 13 0.772 0.099 2.169 1.00 0.00 N ATOM 154 CA CYS A 13 0.809 -1.134 1.392 1.00 0.00 C ATOM 155 C CYS A 13 -0.378 -2.029 1.734 1.00 0.00 C ATOM 156 O CYS A 13 -0.470 -2.561 2.839 1.00 0.00 O ATOM 157 CB CYS A 13 2.118 -1.885 1.649 1.00 0.00 C ATOM 158 SG CYS A 13 2.181 -3.546 0.905 1.00 0.00 S ATOM 0 H CYS A 13 1.589 0.249 2.761 1.00 0.00 H new ATOM 0 HA CYS A 13 0.750 -0.870 0.336 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.946 -1.293 1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.268 -1.975 2.725 1.00 0.00 H new ATOM 163 N ASN A 14 -1.286 -2.189 0.776 1.00 0.00 N ATOM 164 CA ASN A 14 -2.469 -3.019 0.976 1.00 0.00 C ATOM 165 C ASN A 14 -2.154 -4.488 0.710 1.00 0.00 C ATOM 166 O ASN A 14 -3.041 -5.273 0.378 1.00 0.00 O ATOM 167 CB ASN A 14 -3.603 -2.555 0.060 1.00 0.00 C ATOM 168 CG ASN A 14 -4.070 -1.149 0.384 1.00 0.00 C ATOM 169 OD1 ASN A 14 -3.379 -0.397 1.070 1.00 0.00 O ATOM 170 ND2 ASN A 14 -5.249 -0.789 -0.111 1.00 0.00 N ATOM 0 H ASN A 14 -1.225 -1.755 -0.145 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.784 -2.916 2.014 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.268 -2.594 -0.977 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.443 -3.244 0.149 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.616 0.145 0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.788 -1.446 -0.675 1.00 0.00 H new ATOM 177 N ALA A 15 -0.884 -4.852 0.859 1.00 0.00 N ATOM 178 CA ALA A 15 -0.452 -6.226 0.639 1.00 0.00 C ATOM 179 C ALA A 15 -0.108 -6.912 1.956 1.00 0.00 C ATOM 180 O ALA A 15 -0.523 -8.044 2.206 1.00 0.00 O ATOM 181 CB ALA A 15 0.742 -6.259 -0.304 1.00 0.00 C ATOM 0 H ALA A 15 -0.137 -4.214 1.131 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.278 -6.771 0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.054 -7.292 -0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.463 -5.816 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.565 -5.693 0.131 1.00 0.00 H new ATOM 187 N CYS A 16 0.654 -6.220 2.797 1.00 0.00 N ATOM 188 CA CYS A 16 1.055 -6.762 4.089 1.00 0.00 C ATOM 189 C CYS A 16 0.560 -5.876 5.228 1.00 0.00 C ATOM 190 O CYS A 16 0.057 -6.367 6.238 1.00 0.00 O ATOM 191 CB CYS A 16 2.578 -6.897 4.158 1.00 0.00 C ATOM 192 SG CYS A 16 3.476 -5.334 3.894 1.00 0.00 S ATOM 0 H CYS A 16 1.006 -5.282 2.606 1.00 0.00 H new ATOM 0 HA CYS A 16 0.604 -7.748 4.197 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.852 -7.301 5.132 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.902 -7.621 3.410 1.00 0.00 H new ATOM 197 N GLY A 17 0.707 -4.565 5.058 1.00 0.00 N ATOM 198 CA GLY A 17 0.270 -3.631 6.079 1.00 0.00 C ATOM 199 C GLY A 17 1.430 -2.928 6.756 1.00 0.00 C ATOM 200 O GLY A 17 1.661 -3.108 7.951 1.00 0.00 O ATOM 0 H GLY A 17 1.121 -4.134 4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.389 -2.888 5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.315 -4.164 6.828 1.00 0.00 H new ATOM 204 N GLU A 18 2.161 -2.125 5.989 1.00 0.00 N ATOM 205 CA GLU A 18 3.305 -1.394 6.523 1.00 0.00 C ATOM 206 C GLU A 18 3.435 -0.026 5.859 1.00 0.00 C ATOM 207 O GLU A 18 3.267 0.105 4.646 1.00 0.00 O ATOM 208 CB GLU A 18 4.591 -2.197 6.318 1.00 0.00 C ATOM 209 CG GLU A 18 4.639 -3.485 7.123 1.00 0.00 C ATOM 210 CD GLU A 18 5.921 -4.264 6.900 1.00 0.00 C ATOM 211 OE1 GLU A 18 6.978 -3.626 6.712 1.00 0.00 O ATOM 212 OE2 GLU A 18 5.867 -5.512 6.913 1.00 0.00 O ATOM 0 H GLU A 18 1.982 -1.964 4.998 1.00 0.00 H new ATOM 0 HA GLU A 18 3.143 -1.246 7.591 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.695 -2.436 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.444 -1.576 6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.540 -3.251 8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.787 -4.109 6.854 1.00 0.00 H new ATOM 219 N SER A 19 3.734 0.989 6.662 1.00 0.00 N ATOM 220 CA SER A 19 3.882 2.348 6.154 1.00 0.00 C ATOM 221 C SER A 19 5.232 2.526 5.466 1.00 0.00 C ATOM 222 O SER A 19 6.276 2.552 6.118 1.00 0.00 O ATOM 223 CB SER A 19 3.740 3.359 7.294 1.00 0.00 C ATOM 224 OG SER A 19 2.432 3.333 7.839 1.00 0.00 O ATOM 0 H SER A 19 3.879 0.897 7.667 1.00 0.00 H new ATOM 0 HA SER A 19 3.094 2.524 5.421 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.467 3.136 8.075 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.964 4.360 6.926 1.00 0.00 H new ATOM 0 HG SER A 19 2.368 3.986 8.566 1.00 0.00 H new ATOM 230 N VAL A 20 5.203 2.650 4.143 1.00 0.00 N ATOM 231 CA VAL A 20 6.423 2.827 3.365 1.00 0.00 C ATOM 232 C VAL A 20 6.573 4.271 2.900 1.00 0.00 C ATOM 233 O VAL A 20 5.593 4.927 2.547 1.00 0.00 O ATOM 234 CB VAL A 20 6.444 1.899 2.136 1.00 0.00 C ATOM 235 CG1 VAL A 20 7.709 2.121 1.320 1.00 0.00 C ATOM 236 CG2 VAL A 20 6.326 0.444 2.565 1.00 0.00 C ATOM 0 H VAL A 20 4.348 2.631 3.588 1.00 0.00 H new ATOM 0 HA VAL A 20 7.256 2.570 4.019 1.00 0.00 H new ATOM 0 HB VAL A 20 5.587 2.140 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.706 1.457 0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.747 3.156 0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.582 1.909 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.342 -0.198 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.162 0.188 3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.389 0.298 3.103 1.00 0.00 H new ATOM 246 N LYS A 21 7.808 4.762 2.902 1.00 0.00 N ATOM 247 CA LYS A 21 8.090 6.129 2.479 1.00 0.00 C ATOM 248 C LYS A 21 8.213 6.214 0.961 1.00 0.00 C ATOM 249 O LYS A 21 8.927 5.426 0.340 1.00 0.00 O ATOM 250 CB LYS A 21 9.377 6.632 3.135 1.00 0.00 C ATOM 251 CG LYS A 21 9.199 7.050 4.584 1.00 0.00 C ATOM 252 CD LYS A 21 10.535 7.320 5.255 1.00 0.00 C ATOM 253 CE LYS A 21 10.378 8.231 6.463 1.00 0.00 C ATOM 254 NZ LYS A 21 11.527 8.111 7.402 1.00 0.00 N ATOM 0 H LYS A 21 8.630 4.233 3.192 1.00 0.00 H new ATOM 0 HA LYS A 21 7.259 6.760 2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.132 5.848 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.758 7.480 2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.579 7.946 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.670 6.267 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.985 6.377 5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.217 7.778 4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.289 9.265 6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.454 7.984 6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.382 8.748 8.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.597 7.130 7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.406 8.371 6.910 1.00 0.00 H new ATOM 268 N LYS A 22 7.513 7.176 0.368 1.00 0.00 N ATOM 269 CA LYS A 22 7.546 7.367 -1.077 1.00 0.00 C ATOM 270 C LYS A 22 8.962 7.199 -1.616 1.00 0.00 C ATOM 271 O LYS A 22 9.160 6.694 -2.722 1.00 0.00 O ATOM 272 CB LYS A 22 7.011 8.753 -1.441 1.00 0.00 C ATOM 273 CG LYS A 22 6.983 9.022 -2.936 1.00 0.00 C ATOM 274 CD LYS A 22 7.083 10.508 -3.237 1.00 0.00 C ATOM 275 CE LYS A 22 7.508 10.757 -4.676 1.00 0.00 C ATOM 276 NZ LYS A 22 7.448 12.202 -5.030 1.00 0.00 N ATOM 0 H LYS A 22 6.916 7.836 0.867 1.00 0.00 H new ATOM 0 HA LYS A 22 6.911 6.608 -1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.002 8.860 -1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.627 9.510 -0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.808 8.496 -3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.061 8.625 -3.361 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.119 10.983 -3.054 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.801 10.970 -2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.523 10.389 -4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.863 10.191 -5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.511 12.309 -6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.550 12.605 -4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.241 12.703 -4.581 1.00 0.00 H new ATOM 290 N ILE A 23 9.945 7.624 -0.828 1.00 0.00 N ATOM 291 CA ILE A 23 11.343 7.518 -1.227 1.00 0.00 C ATOM 292 C ILE A 23 11.858 6.093 -1.050 1.00 0.00 C ATOM 293 O ILE A 23 12.687 5.623 -1.829 1.00 0.00 O ATOM 294 CB ILE A 23 12.233 8.478 -0.416 1.00 0.00 C ATOM 295 CG1 ILE A 23 11.979 8.302 1.082 1.00 0.00 C ATOM 296 CG2 ILE A 23 11.979 9.918 -0.836 1.00 0.00 C ATOM 297 CD1 ILE A 23 13.028 8.956 1.954 1.00 0.00 C ATOM 0 H ILE A 23 9.799 8.045 0.090 1.00 0.00 H new ATOM 0 HA ILE A 23 11.393 7.792 -2.281 1.00 0.00 H new ATOM 0 HB ILE A 23 13.277 8.240 -0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.002 8.719 1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.939 7.237 1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.615 10.584 -0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.206 10.033 -1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.933 10.169 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.784 8.791 3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.004 8.522 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 23 13.053 10.027 1.752 1.00 0.00 H new ATOM 309 N GLN A 24 11.360 5.413 -0.023 1.00 0.00 N ATOM 310 CA GLN A 24 11.770 4.041 0.254 1.00 0.00 C ATOM 311 C GLN A 24 10.712 3.050 -0.222 1.00 0.00 C ATOM 312 O GLN A 24 10.374 2.101 0.484 1.00 0.00 O ATOM 313 CB GLN A 24 12.023 3.855 1.751 1.00 0.00 C ATOM 314 CG GLN A 24 13.279 4.552 2.247 1.00 0.00 C ATOM 315 CD GLN A 24 14.543 3.783 1.915 1.00 0.00 C ATOM 316 OE1 GLN A 24 14.672 3.216 0.830 1.00 0.00 O ATOM 317 NE2 GLN A 24 15.485 3.759 2.851 1.00 0.00 N ATOM 0 H GLN A 24 10.673 5.789 0.631 1.00 0.00 H new ATOM 0 HA GLN A 24 12.694 3.847 -0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.164 4.233 2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.099 2.790 1.969 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.337 5.547 1.805 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.213 4.686 3.327 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.336 4.243 3.737 1.00 0.00 H new ATOM 0 HE22 GLN A 24 16.357 3.257 2.684 1.00 0.00 H new ATOM 326 N VAL A 25 10.193 3.279 -1.424 1.00 0.00 N ATOM 327 CA VAL A 25 9.175 2.406 -1.995 1.00 0.00 C ATOM 328 C VAL A 25 9.808 1.220 -2.715 1.00 0.00 C ATOM 329 O VAL A 25 9.439 0.070 -2.479 1.00 0.00 O ATOM 330 CB VAL A 25 8.271 3.168 -2.982 1.00 0.00 C ATOM 331 CG1 VAL A 25 7.268 2.224 -3.627 1.00 0.00 C ATOM 332 CG2 VAL A 25 7.561 4.314 -2.277 1.00 0.00 C ATOM 0 H VAL A 25 10.461 4.062 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 25 8.569 2.042 -1.165 1.00 0.00 H new ATOM 0 HB VAL A 25 8.896 3.588 -3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.638 2.781 -4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.800 1.442 -4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.645 1.772 -2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.926 4.842 -2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.947 3.919 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.300 5.004 -1.869 1.00 0.00 H new ATOM 342 N GLU A 26 10.762 1.509 -3.594 1.00 0.00 N ATOM 343 CA GLU A 26 11.447 0.466 -4.349 1.00 0.00 C ATOM 344 C GLU A 26 11.842 -0.694 -3.439 1.00 0.00 C ATOM 345 O GLU A 26 11.440 -1.836 -3.660 1.00 0.00 O ATOM 346 CB GLU A 26 12.689 1.035 -5.037 1.00 0.00 C ATOM 347 CG GLU A 26 13.035 0.338 -6.342 1.00 0.00 C ATOM 348 CD GLU A 26 12.012 0.599 -7.431 1.00 0.00 C ATOM 349 OE1 GLU A 26 11.452 1.714 -7.463 1.00 0.00 O ATOM 350 OE2 GLU A 26 11.773 -0.311 -8.252 1.00 0.00 O ATOM 0 H GLU A 26 11.078 2.456 -3.801 1.00 0.00 H new ATOM 0 HA GLU A 26 10.760 0.092 -5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.532 2.096 -5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.538 0.958 -4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.015 0.674 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.109 -0.735 -6.168 1.00 0.00 H new ATOM 357 N LYS A 27 12.632 -0.391 -2.414 1.00 0.00 N ATOM 358 CA LYS A 27 13.082 -1.406 -1.469 1.00 0.00 C ATOM 359 C LYS A 27 11.923 -2.296 -1.033 1.00 0.00 C ATOM 360 O LYS A 27 12.064 -3.516 -0.941 1.00 0.00 O ATOM 361 CB LYS A 27 13.720 -0.745 -0.245 1.00 0.00 C ATOM 362 CG LYS A 27 12.711 -0.134 0.712 1.00 0.00 C ATOM 363 CD LYS A 27 13.376 0.349 1.990 1.00 0.00 C ATOM 364 CE LYS A 27 12.395 0.374 3.153 1.00 0.00 C ATOM 365 NZ LYS A 27 12.146 -0.988 3.699 1.00 0.00 N ATOM 0 H LYS A 27 12.974 0.550 -2.217 1.00 0.00 H new ATOM 0 HA LYS A 27 13.826 -2.027 -1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.313 -1.487 0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.408 0.032 -0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.206 0.701 0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.946 -0.871 0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.215 -0.303 2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.783 1.348 1.835 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.785 1.016 3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.452 0.811 2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.188 -1.031 4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.232 -1.689 2.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.844 -1.197 4.441 1.00 0.00 H new ATOM 379 N HIS A 28 10.776 -1.679 -0.767 1.00 0.00 N ATOM 380 CA HIS A 28 9.591 -2.416 -0.343 1.00 0.00 C ATOM 381 C HIS A 28 9.126 -3.372 -1.436 1.00 0.00 C ATOM 382 O HIS A 28 9.258 -4.589 -1.309 1.00 0.00 O ATOM 383 CB HIS A 28 8.464 -1.448 0.018 1.00 0.00 C ATOM 384 CG HIS A 28 7.298 -2.108 0.687 1.00 0.00 C ATOM 385 ND1 HIS A 28 7.293 -2.454 2.022 1.00 0.00 N ATOM 386 CD2 HIS A 28 6.094 -2.485 0.197 1.00 0.00 C ATOM 387 CE1 HIS A 28 6.136 -3.016 2.324 1.00 0.00 C ATOM 388 NE2 HIS A 28 5.390 -3.047 1.234 1.00 0.00 N ATOM 0 H HIS A 28 10.642 -0.670 -0.838 1.00 0.00 H new ATOM 0 HA HIS A 28 9.853 -3.001 0.539 1.00 0.00 H new ATOM 0 HB2 HIS A 28 8.859 -0.673 0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.119 -0.951 -0.889 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.751 -2.366 -0.820 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.849 -3.387 3.297 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.445 -3.426 1.173 1.00 0.00 H new ATOM 396 N VAL A 29 8.579 -2.813 -2.511 1.00 0.00 N ATOM 397 CA VAL A 29 8.094 -3.616 -3.628 1.00 0.00 C ATOM 398 C VAL A 29 9.029 -4.786 -3.910 1.00 0.00 C ATOM 399 O VAL A 29 8.586 -5.924 -4.069 1.00 0.00 O ATOM 400 CB VAL A 29 7.949 -2.769 -4.906 1.00 0.00 C ATOM 401 CG1 VAL A 29 7.473 -3.631 -6.066 1.00 0.00 C ATOM 402 CG2 VAL A 29 6.997 -1.606 -4.669 1.00 0.00 C ATOM 0 H VAL A 29 8.461 -1.807 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 29 7.114 -3.999 -3.342 1.00 0.00 H new ATOM 0 HB VAL A 29 8.926 -2.361 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.376 -3.016 -6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.196 -4.426 -6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.506 -4.069 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.906 -1.018 -5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.017 -1.990 -4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.385 -0.976 -3.869 1.00 0.00 H new ATOM 412 N SER A 30 10.326 -4.500 -3.970 1.00 0.00 N ATOM 413 CA SER A 30 11.324 -5.528 -4.237 1.00 0.00 C ATOM 414 C SER A 30 11.048 -6.781 -3.411 1.00 0.00 C ATOM 415 O SER A 30 10.975 -7.887 -3.945 1.00 0.00 O ATOM 416 CB SER A 30 12.726 -5.000 -3.929 1.00 0.00 C ATOM 417 OG SER A 30 13.722 -5.864 -4.447 1.00 0.00 O ATOM 0 H SER A 30 10.710 -3.564 -3.837 1.00 0.00 H new ATOM 0 HA SER A 30 11.266 -5.790 -5.293 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.845 -4.005 -4.357 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.852 -4.900 -2.851 1.00 0.00 H new ATOM 0 HG SER A 30 14.609 -5.503 -4.238 1.00 0.00 H new ATOM 423 N ASN A 31 10.895 -6.598 -2.103 1.00 0.00 N ATOM 424 CA ASN A 31 10.627 -7.712 -1.202 1.00 0.00 C ATOM 425 C ASN A 31 9.160 -8.127 -1.270 1.00 0.00 C ATOM 426 O ASN A 31 8.841 -9.270 -1.596 1.00 0.00 O ATOM 427 CB ASN A 31 10.995 -7.334 0.234 1.00 0.00 C ATOM 428 CG ASN A 31 11.322 -8.545 1.086 1.00 0.00 C ATOM 429 OD1 ASN A 31 10.674 -8.797 2.102 1.00 0.00 O ATOM 430 ND2 ASN A 31 12.333 -9.302 0.675 1.00 0.00 N ATOM 0 H ASN A 31 10.952 -5.689 -1.644 1.00 0.00 H new ATOM 0 HA ASN A 31 11.240 -8.556 -1.517 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.852 -6.660 0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.167 -6.788 0.686 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.600 -10.130 1.208 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.843 -9.055 -0.173 1.00 0.00 H new ATOM 437 N CYS A 32 8.271 -7.189 -0.960 1.00 0.00 N ATOM 438 CA CYS A 32 6.838 -7.454 -0.986 1.00 0.00 C ATOM 439 C CYS A 32 6.354 -7.690 -2.414 1.00 0.00 C ATOM 440 O CYS A 32 6.173 -6.746 -3.183 1.00 0.00 O ATOM 441 CB CYS A 32 6.070 -6.287 -0.362 1.00 0.00 C ATOM 442 SG CYS A 32 4.422 -6.736 0.272 1.00 0.00 S ATOM 0 H CYS A 32 8.519 -6.238 -0.688 1.00 0.00 H new ATOM 0 HA CYS A 32 6.651 -8.356 -0.404 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.661 -5.872 0.455 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.959 -5.499 -1.107 1.00 0.00 H new ATOM 447 N ARG A 33 6.146 -8.956 -2.761 1.00 0.00 N ATOM 448 CA ARG A 33 5.684 -9.316 -4.096 1.00 0.00 C ATOM 449 C ARG A 33 4.191 -9.044 -4.246 1.00 0.00 C ATOM 450 O ARG A 33 3.709 -8.759 -5.342 1.00 0.00 O ATOM 451 CB ARG A 33 5.976 -10.791 -4.379 1.00 0.00 C ATOM 452 CG ARG A 33 5.132 -11.748 -3.553 1.00 0.00 C ATOM 453 CD ARG A 33 5.817 -13.096 -3.389 1.00 0.00 C ATOM 454 NE ARG A 33 5.016 -14.024 -2.596 1.00 0.00 N ATOM 455 CZ ARG A 33 5.404 -15.259 -2.296 1.00 0.00 C ATOM 456 NH1 ARG A 33 6.576 -15.711 -2.721 1.00 0.00 N ATOM 457 NH2 ARG A 33 4.619 -16.044 -1.570 1.00 0.00 N ATOM 0 H ARG A 33 6.290 -9.749 -2.136 1.00 0.00 H new ATOM 0 HA ARG A 33 6.222 -8.701 -4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.805 -10.990 -5.437 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.030 -10.988 -4.184 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.942 -11.313 -2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.163 -11.887 -4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.006 -13.528 -4.372 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.786 -12.954 -2.911 1.00 0.00 H new ATOM 0 HE ARG A 33 4.109 -13.707 -2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.182 -15.110 -3.280 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.871 -16.659 -2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.717 -15.700 -1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.918 -16.992 -1.340 1.00 0.00 H new ATOM 471 N ASN A 34 3.463 -9.135 -3.138 1.00 0.00 N ATOM 472 CA ASN A 34 2.024 -8.899 -3.146 1.00 0.00 C ATOM 473 C ASN A 34 1.716 -7.417 -3.335 1.00 0.00 C ATOM 474 O ASN A 34 0.636 -7.051 -3.798 1.00 0.00 O ATOM 475 CB ASN A 34 1.396 -9.400 -1.844 1.00 0.00 C ATOM 476 CG ASN A 34 1.805 -10.823 -1.516 1.00 0.00 C ATOM 477 OD1 ASN A 34 2.241 -11.573 -2.389 1.00 0.00 O ATOM 478 ND2 ASN A 34 1.665 -11.202 -0.250 1.00 0.00 N ATOM 0 H ASN A 34 3.846 -9.371 -2.223 1.00 0.00 H new ATOM 0 HA ASN A 34 1.596 -9.450 -3.983 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.689 -8.743 -1.026 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.310 -9.346 -1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.923 -12.148 0.031 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.299 -10.547 0.441 1.00 0.00 H new ATOM 485 N CYS A 35 2.673 -6.569 -2.973 1.00 0.00 N ATOM 486 CA CYS A 35 2.505 -5.126 -3.101 1.00 0.00 C ATOM 487 C CYS A 35 2.204 -4.741 -4.546 1.00 0.00 C ATOM 488 O CYS A 35 3.050 -4.887 -5.427 1.00 0.00 O ATOM 489 CB CYS A 35 3.761 -4.400 -2.618 1.00 0.00 C ATOM 490 SG CYS A 35 3.718 -2.609 -2.861 1.00 0.00 S ATOM 0 H CYS A 35 3.573 -6.856 -2.589 1.00 0.00 H new ATOM 0 HA CYS A 35 1.661 -4.826 -2.480 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.903 -4.609 -1.558 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.626 -4.806 -3.142 1.00 0.00 H new ATOM 0 HG CYS A 35 3.826 -2.012 -1.711 1.00 0.00 H new ATOM 496 N GLU A 36 0.991 -4.248 -4.781 1.00 0.00 N ATOM 497 CA GLU A 36 0.578 -3.845 -6.120 1.00 0.00 C ATOM 498 C GLU A 36 -0.102 -2.479 -6.091 1.00 0.00 C ATOM 499 O GLU A 36 0.043 -1.681 -7.018 1.00 0.00 O ATOM 500 CB GLU A 36 -0.368 -4.885 -6.722 1.00 0.00 C ATOM 501 CG GLU A 36 -1.655 -5.065 -5.934 1.00 0.00 C ATOM 502 CD GLU A 36 -2.745 -4.105 -6.369 1.00 0.00 C ATOM 503 OE1 GLU A 36 -2.416 -3.081 -7.002 1.00 0.00 O ATOM 504 OE2 GLU A 36 -3.928 -4.380 -6.076 1.00 0.00 O ATOM 0 H GLU A 36 0.279 -4.119 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 36 1.471 -3.775 -6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.615 -4.592 -7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.149 -5.843 -6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.009 -6.089 -6.053 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.450 -4.920 -4.873 1.00 0.00 H new ATOM 511 N CYS A 37 -0.845 -2.218 -5.021 1.00 0.00 N ATOM 512 CA CYS A 37 -1.549 -0.949 -4.871 1.00 0.00 C ATOM 513 C CYS A 37 -1.019 -0.172 -3.670 1.00 0.00 C ATOM 514 O CYS A 37 -0.633 -0.758 -2.658 1.00 0.00 O ATOM 515 CB CYS A 37 -3.051 -1.192 -4.714 1.00 0.00 C ATOM 516 SG CYS A 37 -4.084 0.172 -5.299 1.00 0.00 S ATOM 0 H CYS A 37 -0.976 -2.867 -4.245 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.376 -0.356 -5.769 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.321 -2.097 -5.258 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.271 -1.375 -3.662 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.695 -0.183 -6.390 1.00 0.00 H new ATOM 522 N LEU A 38 -1.002 1.151 -3.790 1.00 0.00 N ATOM 523 CA LEU A 38 -0.517 2.010 -2.715 1.00 0.00 C ATOM 524 C LEU A 38 -1.466 3.182 -2.485 1.00 0.00 C ATOM 525 O LEU A 38 -1.634 4.037 -3.354 1.00 0.00 O ATOM 526 CB LEU A 38 0.884 2.530 -3.043 1.00 0.00 C ATOM 527 CG LEU A 38 2.006 1.491 -3.027 1.00 0.00 C ATOM 528 CD1 LEU A 38 3.142 1.919 -3.942 1.00 0.00 C ATOM 529 CD2 LEU A 38 2.513 1.275 -1.609 1.00 0.00 C ATOM 0 H LEU A 38 -1.318 1.652 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.473 1.417 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.857 2.991 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.134 3.316 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 38 1.606 0.546 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.931 1.168 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.769 2.021 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.541 2.875 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.311 0.533 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.896 2.215 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.696 0.922 -0.980 1.00 0.00 H new ATOM 541 N SER A 39 -2.081 3.216 -1.307 1.00 0.00 N ATOM 542 CA SER A 39 -3.014 4.283 -0.963 1.00 0.00 C ATOM 543 C SER A 39 -2.285 5.452 -0.308 1.00 0.00 C ATOM 544 O SER A 39 -1.506 5.267 0.628 1.00 0.00 O ATOM 545 CB SER A 39 -4.101 3.755 -0.025 1.00 0.00 C ATOM 546 OG SER A 39 -3.534 3.109 1.101 1.00 0.00 O ATOM 0 H SER A 39 -1.950 2.518 -0.575 1.00 0.00 H new ATOM 0 HA SER A 39 -3.478 4.637 -1.883 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.733 4.580 0.305 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.743 3.057 -0.563 1.00 0.00 H new ATOM 0 HG SER A 39 -4.250 2.782 1.685 1.00 0.00 H new ATOM 552 N CYS A 40 -2.544 6.656 -0.806 1.00 0.00 N ATOM 553 CA CYS A 40 -1.913 7.857 -0.272 1.00 0.00 C ATOM 554 C CYS A 40 -2.583 8.290 1.029 1.00 0.00 C ATOM 555 O CYS A 40 -3.747 8.691 1.037 1.00 0.00 O ATOM 556 CB CYS A 40 -1.981 8.992 -1.295 1.00 0.00 C ATOM 557 SG CYS A 40 -1.477 10.616 -0.639 1.00 0.00 S ATOM 0 H CYS A 40 -3.187 6.826 -1.579 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.868 7.627 -0.064 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.344 8.741 -2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.001 9.065 -1.673 1.00 0.00 H new ATOM 562 N ILE A 41 -1.839 8.206 2.127 1.00 0.00 N ATOM 563 CA ILE A 41 -2.360 8.590 3.433 1.00 0.00 C ATOM 564 C ILE A 41 -2.126 10.073 3.704 1.00 0.00 C ATOM 565 O ILE A 41 -2.388 10.563 4.803 1.00 0.00 O ATOM 566 CB ILE A 41 -1.713 7.766 4.562 1.00 0.00 C ATOM 567 CG1 ILE A 41 -0.197 7.971 4.568 1.00 0.00 C ATOM 568 CG2 ILE A 41 -2.053 6.292 4.402 1.00 0.00 C ATOM 569 CD1 ILE A 41 0.486 7.390 5.786 1.00 0.00 C ATOM 0 H ILE A 41 -0.874 7.876 2.138 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.431 8.390 3.416 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.111 8.109 5.517 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.227 7.516 3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.017 9.038 4.516 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.589 5.722 5.207 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.134 6.162 4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.680 5.935 3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.559 7.572 5.723 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.090 7.862 6.685 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.302 6.316 5.829 1.00 0.00 H new ATOM 581 N ASP A 42 -1.634 10.782 2.694 1.00 0.00 N ATOM 582 CA ASP A 42 -1.368 12.211 2.822 1.00 0.00 C ATOM 583 C ASP A 42 -2.590 13.029 2.418 1.00 0.00 C ATOM 584 O ASP A 42 -2.862 14.084 2.993 1.00 0.00 O ATOM 585 CB ASP A 42 -0.167 12.606 1.962 1.00 0.00 C ATOM 586 CG ASP A 42 1.138 12.558 2.732 1.00 0.00 C ATOM 587 OD1 ASP A 42 1.563 11.447 3.113 1.00 0.00 O ATOM 588 OD2 ASP A 42 1.735 13.632 2.954 1.00 0.00 O ATOM 0 H ASP A 42 -1.411 10.392 1.778 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.142 12.422 3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.103 11.938 1.103 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.318 13.613 1.572 1.00 0.00 H new ATOM 593 N CYS A 43 -3.323 12.538 1.425 1.00 0.00 N ATOM 594 CA CYS A 43 -4.516 13.223 0.942 1.00 0.00 C ATOM 595 C CYS A 43 -5.670 12.243 0.758 1.00 0.00 C ATOM 596 O CYS A 43 -6.794 12.503 1.188 1.00 0.00 O ATOM 597 CB CYS A 43 -4.221 13.934 -0.380 1.00 0.00 C ATOM 598 SG CYS A 43 -3.875 12.807 -1.769 1.00 0.00 S ATOM 0 H CYS A 43 -3.112 11.667 0.938 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.807 13.962 1.688 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.072 14.563 -0.640 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.366 14.596 -0.241 1.00 0.00 H new ATOM 603 N GLY A 44 -5.385 11.114 0.117 1.00 0.00 N ATOM 604 CA GLY A 44 -6.409 10.111 -0.112 1.00 0.00 C ATOM 605 C GLY A 44 -6.594 9.798 -1.584 1.00 0.00 C ATOM 606 O GLY A 44 -7.452 10.380 -2.248 1.00 0.00 O ATOM 0 H GLY A 44 -4.463 10.876 -0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.144 9.197 0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.354 10.459 0.304 1.00 0.00 H new ATOM 610 N LYS A 45 -5.786 8.875 -2.097 1.00 0.00 N ATOM 611 CA LYS A 45 -5.864 8.484 -3.499 1.00 0.00 C ATOM 612 C LYS A 45 -5.178 7.142 -3.728 1.00 0.00 C ATOM 613 O LYS A 45 -4.128 6.863 -3.149 1.00 0.00 O ATOM 614 CB LYS A 45 -5.222 9.555 -4.384 1.00 0.00 C ATOM 615 CG LYS A 45 -5.824 9.635 -5.776 1.00 0.00 C ATOM 616 CD LYS A 45 -5.218 8.598 -6.707 1.00 0.00 C ATOM 617 CE LYS A 45 -5.388 8.992 -8.166 1.00 0.00 C ATOM 618 NZ LYS A 45 -6.823 9.087 -8.552 1.00 0.00 N ATOM 0 H LYS A 45 -5.070 8.384 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.916 8.384 -3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.323 10.525 -3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.155 9.351 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.902 9.486 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.663 10.632 -6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.158 8.481 -6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.690 7.631 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.900 9.951 -8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.889 8.259 -8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.897 9.240 -9.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.310 8.204 -8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.266 9.883 -8.050 1.00 0.00 H new ATOM 632 N ASP A 46 -5.776 6.314 -4.578 1.00 0.00 N ATOM 633 CA ASP A 46 -5.221 5.001 -4.886 1.00 0.00 C ATOM 634 C ASP A 46 -4.203 5.094 -6.018 1.00 0.00 C ATOM 635 O ASP A 46 -4.268 5.996 -6.853 1.00 0.00 O ATOM 636 CB ASP A 46 -6.338 4.028 -5.266 1.00 0.00 C ATOM 637 CG ASP A 46 -7.480 4.039 -4.269 1.00 0.00 C ATOM 638 OD1 ASP A 46 -8.121 5.099 -4.114 1.00 0.00 O ATOM 639 OD2 ASP A 46 -7.731 2.988 -3.642 1.00 0.00 O ATOM 0 H ASP A 46 -6.645 6.529 -5.066 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.714 4.630 -3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.720 4.286 -6.254 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.930 3.020 -5.335 1.00 0.00 H new ATOM 644 N PHE A 47 -3.262 4.155 -6.039 1.00 0.00 N ATOM 645 CA PHE A 47 -2.229 4.132 -7.068 1.00 0.00 C ATOM 646 C PHE A 47 -1.821 2.699 -7.396 1.00 0.00 C ATOM 647 O PHE A 47 -1.285 1.985 -6.548 1.00 0.00 O ATOM 648 CB PHE A 47 -1.006 4.930 -6.610 1.00 0.00 C ATOM 649 CG PHE A 47 -1.271 6.401 -6.463 1.00 0.00 C ATOM 650 CD1 PHE A 47 -1.282 7.231 -7.572 1.00 0.00 C ATOM 651 CD2 PHE A 47 -1.509 6.954 -5.214 1.00 0.00 C ATOM 652 CE1 PHE A 47 -1.526 8.585 -7.440 1.00 0.00 C ATOM 653 CE2 PHE A 47 -1.754 8.307 -5.076 1.00 0.00 C ATOM 654 CZ PHE A 47 -1.761 9.124 -6.190 1.00 0.00 C ATOM 0 H PHE A 47 -3.194 3.401 -5.356 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.637 4.590 -7.969 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.660 4.534 -5.655 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.198 4.784 -7.327 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.098 6.815 -8.552 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.503 6.320 -4.339 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.533 9.221 -8.313 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.940 8.725 -4.098 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.950 10.182 -6.084 1.00 0.00 H new ATOM 664 N TRP A 48 -2.078 2.286 -8.632 1.00 0.00 N ATOM 665 CA TRP A 48 -1.739 0.937 -9.073 1.00 0.00 C ATOM 666 C TRP A 48 -0.340 0.899 -9.680 1.00 0.00 C ATOM 667 O TRP A 48 0.243 1.939 -9.984 1.00 0.00 O ATOM 668 CB TRP A 48 -2.764 0.439 -10.093 1.00 0.00 C ATOM 669 CG TRP A 48 -4.091 0.100 -9.483 1.00 0.00 C ATOM 670 CD1 TRP A 48 -5.134 0.953 -9.263 1.00 0.00 C ATOM 671 CD2 TRP A 48 -4.515 -1.185 -9.015 1.00 0.00 C ATOM 672 NE1 TRP A 48 -6.181 0.277 -8.686 1.00 0.00 N ATOM 673 CE2 TRP A 48 -5.827 -1.037 -8.524 1.00 0.00 C ATOM 674 CE3 TRP A 48 -3.916 -2.446 -8.964 1.00 0.00 C ATOM 675 CZ2 TRP A 48 -6.546 -2.102 -7.989 1.00 0.00 C ATOM 676 CZ3 TRP A 48 -4.631 -3.503 -8.433 1.00 0.00 C ATOM 677 CH2 TRP A 48 -5.935 -3.326 -7.952 1.00 0.00 C ATOM 0 H TRP A 48 -2.520 2.865 -9.346 1.00 0.00 H new ATOM 0 HA TRP A 48 -1.756 0.282 -8.202 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.908 1.204 -10.856 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.367 -0.443 -10.596 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.136 2.005 -9.507 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.077 0.687 -8.421 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.912 -2.592 -9.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.551 -1.967 -7.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.177 -4.482 -8.388 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -6.468 -4.172 -7.544 1.00 0.00 H new ATOM 688 N GLY A 49 0.193 -0.307 -9.853 1.00 0.00 N ATOM 689 CA GLY A 49 1.519 -0.457 -10.423 1.00 0.00 C ATOM 690 C GLY A 49 2.449 0.675 -10.033 1.00 0.00 C ATOM 691 O GLY A 49 2.555 1.023 -8.857 1.00 0.00 O ATOM 0 H GLY A 49 -0.270 -1.182 -9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.947 -1.404 -10.095 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.441 -0.501 -11.509 1.00 0.00 H new ATOM 695 N ASP A 50 3.126 1.249 -11.021 1.00 0.00 N ATOM 696 CA ASP A 50 4.052 2.348 -10.776 1.00 0.00 C ATOM 697 C ASP A 50 3.392 3.692 -11.069 1.00 0.00 C ATOM 698 O ASP A 50 3.995 4.570 -11.686 1.00 0.00 O ATOM 699 CB ASP A 50 5.308 2.185 -11.633 1.00 0.00 C ATOM 700 CG ASP A 50 4.990 2.081 -13.112 1.00 0.00 C ATOM 701 OD1 ASP A 50 3.988 1.422 -13.458 1.00 0.00 O ATOM 702 OD2 ASP A 50 5.744 2.658 -13.923 1.00 0.00 O ATOM 0 H ASP A 50 3.051 0.971 -12.000 1.00 0.00 H new ATOM 0 HA ASP A 50 4.334 2.325 -9.723 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.971 3.034 -11.466 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.847 1.292 -11.316 1.00 0.00 H new ATOM 707 N ASP A 51 2.150 3.844 -10.622 1.00 0.00 N ATOM 708 CA ASP A 51 1.408 5.081 -10.837 1.00 0.00 C ATOM 709 C ASP A 51 1.886 6.174 -9.886 1.00 0.00 C ATOM 710 O ASP A 51 1.930 7.350 -10.247 1.00 0.00 O ATOM 711 CB ASP A 51 -0.091 4.841 -10.645 1.00 0.00 C ATOM 712 CG ASP A 51 -0.922 6.058 -10.999 1.00 0.00 C ATOM 713 OD1 ASP A 51 -0.341 7.155 -11.138 1.00 0.00 O ATOM 714 OD2 ASP A 51 -2.155 5.914 -11.139 1.00 0.00 O ATOM 0 H ASP A 51 1.637 3.127 -10.109 1.00 0.00 H new ATOM 0 HA ASP A 51 1.588 5.411 -11.860 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.403 3.999 -11.263 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.282 4.563 -9.608 1.00 0.00 H new ATOM 719 N TYR A 52 2.242 5.778 -8.669 1.00 0.00 N ATOM 720 CA TYR A 52 2.714 6.724 -7.665 1.00 0.00 C ATOM 721 C TYR A 52 3.709 7.710 -8.270 1.00 0.00 C ATOM 722 O TYR A 52 3.708 8.895 -7.936 1.00 0.00 O ATOM 723 CB TYR A 52 3.363 5.979 -6.497 1.00 0.00 C ATOM 724 CG TYR A 52 4.720 5.399 -6.828 1.00 0.00 C ATOM 725 CD1 TYR A 52 4.849 4.362 -7.744 1.00 0.00 C ATOM 726 CD2 TYR A 52 5.872 5.887 -6.225 1.00 0.00 C ATOM 727 CE1 TYR A 52 6.087 3.829 -8.049 1.00 0.00 C ATOM 728 CE2 TYR A 52 7.114 5.361 -6.525 1.00 0.00 C ATOM 729 CZ TYR A 52 7.216 4.332 -7.438 1.00 0.00 C ATOM 730 OH TYR A 52 8.450 3.804 -7.738 1.00 0.00 O ATOM 0 H TYR A 52 2.213 4.808 -8.354 1.00 0.00 H new ATOM 0 HA TYR A 52 1.854 7.284 -7.297 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.465 6.662 -5.653 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.701 5.174 -6.178 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.967 3.966 -8.226 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.796 6.692 -5.509 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.170 3.022 -8.762 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.000 5.753 -6.047 1.00 0.00 H new ATOM 0 HH TYR A 52 8.385 3.264 -8.553 1.00 0.00 H new ATOM 740 N LYS A 53 4.557 7.211 -9.163 1.00 0.00 N ATOM 741 CA LYS A 53 5.557 8.046 -9.818 1.00 0.00 C ATOM 742 C LYS A 53 4.982 9.416 -10.162 1.00 0.00 C ATOM 743 O LYS A 53 5.491 10.443 -9.716 1.00 0.00 O ATOM 744 CB LYS A 53 6.069 7.362 -11.087 1.00 0.00 C ATOM 745 CG LYS A 53 6.657 5.983 -10.841 1.00 0.00 C ATOM 746 CD LYS A 53 7.963 6.063 -10.069 1.00 0.00 C ATOM 747 CE LYS A 53 9.102 6.552 -10.950 1.00 0.00 C ATOM 748 NZ LYS A 53 9.807 5.425 -11.622 1.00 0.00 N ATOM 0 H LYS A 53 4.572 6.232 -9.450 1.00 0.00 H new ATOM 0 HA LYS A 53 6.388 8.185 -9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.248 7.276 -11.799 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.827 7.994 -11.549 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.942 5.375 -10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.827 5.484 -11.795 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.844 6.736 -9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.209 5.081 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.711 7.236 -11.703 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.812 7.116 -10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.576 5.800 -12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.203 4.785 -10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.135 4.902 -12.219 1.00 0.00 H new ATOM 762 N SER A 54 3.917 9.422 -10.958 1.00 0.00 N ATOM 763 CA SER A 54 3.273 10.666 -11.364 1.00 0.00 C ATOM 764 C SER A 54 2.877 11.495 -10.146 1.00 0.00 C ATOM 765 O SER A 54 3.029 12.717 -10.136 1.00 0.00 O ATOM 766 CB SER A 54 2.039 10.371 -12.218 1.00 0.00 C ATOM 767 OG SER A 54 1.251 11.536 -12.394 1.00 0.00 O ATOM 0 H SER A 54 3.482 8.580 -11.334 1.00 0.00 H new ATOM 0 HA SER A 54 3.986 11.240 -11.956 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.349 9.987 -13.190 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.442 9.592 -11.743 1.00 0.00 H new ATOM 0 HG SER A 54 0.469 11.322 -12.944 1.00 0.00 H new ATOM 773 N HIS A 55 2.367 10.822 -9.120 1.00 0.00 N ATOM 774 CA HIS A 55 1.949 11.495 -7.895 1.00 0.00 C ATOM 775 C HIS A 55 3.152 12.060 -7.147 1.00 0.00 C ATOM 776 O HIS A 55 3.863 11.332 -6.454 1.00 0.00 O ATOM 777 CB HIS A 55 1.181 10.528 -6.993 1.00 0.00 C ATOM 778 CG HIS A 55 0.243 11.210 -6.045 1.00 0.00 C ATOM 779 ND1 HIS A 55 -0.617 12.216 -6.431 1.00 0.00 N ATOM 780 CD2 HIS A 55 0.032 11.024 -4.721 1.00 0.00 C ATOM 781 CE1 HIS A 55 -1.316 12.620 -5.385 1.00 0.00 C ATOM 782 NE2 HIS A 55 -0.941 11.913 -4.335 1.00 0.00 N ATOM 0 H HIS A 55 2.233 9.811 -9.112 1.00 0.00 H new ATOM 0 HA HIS A 55 1.294 12.322 -8.170 1.00 0.00 H new ATOM 0 HB2 HIS A 55 0.615 9.835 -7.616 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.894 9.934 -6.421 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.701 12.590 -7.376 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.535 10.310 -4.086 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.067 13.397 -5.388 1.00 0.00 H new ATOM 790 N VAL A 56 3.376 13.362 -7.293 1.00 0.00 N ATOM 791 CA VAL A 56 4.494 14.025 -6.631 1.00 0.00 C ATOM 792 C VAL A 56 4.008 15.159 -5.737 1.00 0.00 C ATOM 793 O VAL A 56 4.752 15.664 -4.895 1.00 0.00 O ATOM 794 CB VAL A 56 5.498 14.587 -7.654 1.00 0.00 C ATOM 795 CG1 VAL A 56 4.789 15.465 -8.673 1.00 0.00 C ATOM 796 CG2 VAL A 56 6.601 15.360 -6.948 1.00 0.00 C ATOM 0 H VAL A 56 2.798 13.979 -7.864 1.00 0.00 H new ATOM 0 HA VAL A 56 4.992 13.272 -6.020 1.00 0.00 H new ATOM 0 HB VAL A 56 5.954 13.752 -8.186 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.515 15.853 -9.387 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.039 14.876 -9.201 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.304 16.296 -8.162 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.302 15.750 -7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.165 16.188 -6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.128 14.697 -6.262 1.00 0.00 H new ATOM 806 N LYS A 57 2.754 15.557 -5.923 1.00 0.00 N ATOM 807 CA LYS A 57 2.166 16.632 -5.132 1.00 0.00 C ATOM 808 C LYS A 57 0.677 16.388 -4.904 1.00 0.00 C ATOM 809 O LYS A 57 -0.058 16.060 -5.836 1.00 0.00 O ATOM 810 CB LYS A 57 2.372 17.978 -5.830 1.00 0.00 C ATOM 811 CG LYS A 57 1.460 18.189 -7.026 1.00 0.00 C ATOM 812 CD LYS A 57 1.748 19.509 -7.722 1.00 0.00 C ATOM 813 CE LYS A 57 2.915 19.386 -8.689 1.00 0.00 C ATOM 814 NZ LYS A 57 3.631 20.680 -8.862 1.00 0.00 N ATOM 0 H LYS A 57 2.125 15.151 -6.615 1.00 0.00 H new ATOM 0 HA LYS A 57 2.666 16.652 -4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.205 18.780 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.409 18.053 -6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.589 17.369 -7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.420 18.168 -6.700 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.860 19.838 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.970 20.273 -6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.612 18.632 -8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.550 19.041 -9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.419 20.554 -9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.973 21.394 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.001 20.997 -7.943 1.00 0.00 H new ATOM 828 N CYS A 58 0.240 16.550 -3.660 1.00 0.00 N ATOM 829 CA CYS A 58 -1.161 16.349 -3.310 1.00 0.00 C ATOM 830 C CYS A 58 -1.904 17.680 -3.251 1.00 0.00 C ATOM 831 O CYS A 58 -1.867 18.379 -2.237 1.00 0.00 O ATOM 832 CB CYS A 58 -1.273 15.630 -1.964 1.00 0.00 C ATOM 833 SG CYS A 58 -0.183 14.179 -1.803 1.00 0.00 S ATOM 0 H CYS A 58 0.836 16.820 -2.877 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.618 15.732 -4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.041 16.336 -1.167 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.306 15.313 -1.818 1.00 0.00 H new ATOM 838 N ILE A 59 -2.577 18.025 -4.343 1.00 0.00 N ATOM 839 CA ILE A 59 -3.330 19.271 -4.415 1.00 0.00 C ATOM 840 C ILE A 59 -4.823 19.003 -4.566 1.00 0.00 C ATOM 841 O ILE A 59 -5.233 18.105 -5.301 1.00 0.00 O ATOM 842 CB ILE A 59 -2.856 20.147 -5.590 1.00 0.00 C ATOM 843 CG1 ILE A 59 -2.908 19.357 -6.898 1.00 0.00 C ATOM 844 CG2 ILE A 59 -1.448 20.662 -5.332 1.00 0.00 C ATOM 845 CD1 ILE A 59 -2.879 20.230 -8.133 1.00 0.00 C ATOM 0 H ILE A 59 -2.616 17.459 -5.191 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.152 19.802 -3.480 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.525 21.003 -5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.064 18.668 -6.930 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.815 18.752 -6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.127 21.279 -6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.440 21.258 -4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.767 19.818 -5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.919 19.602 -9.023 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.737 20.902 -8.124 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.960 20.816 -8.143 1.00 0.00 H new ATOM 857 N SER A 60 -5.633 19.791 -3.866 1.00 0.00 N ATOM 858 CA SER A 60 -7.083 19.638 -3.919 1.00 0.00 C ATOM 859 C SER A 60 -7.638 20.183 -5.232 1.00 0.00 C ATOM 860 O SER A 60 -7.493 21.366 -5.535 1.00 0.00 O ATOM 861 CB SER A 60 -7.737 20.357 -2.738 1.00 0.00 C ATOM 862 OG SER A 60 -7.361 21.723 -2.701 1.00 0.00 O ATOM 0 H SER A 60 -5.310 20.542 -3.256 1.00 0.00 H new ATOM 0 HA SER A 60 -7.314 18.574 -3.860 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.821 20.277 -2.815 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.447 19.871 -1.806 1.00 0.00 H new ATOM 0 HG SER A 60 -7.168 22.034 -3.610 1.00 0.00 H new ATOM 868 N GLU A 61 -8.274 19.309 -6.006 1.00 0.00 N ATOM 869 CA GLU A 61 -8.850 19.701 -7.287 1.00 0.00 C ATOM 870 C GLU A 61 -10.372 19.766 -7.202 1.00 0.00 C ATOM 871 O GLU A 61 -11.001 18.957 -6.521 1.00 0.00 O ATOM 872 CB GLU A 61 -8.431 18.719 -8.383 1.00 0.00 C ATOM 873 CG GLU A 61 -8.921 17.301 -8.149 1.00 0.00 C ATOM 874 CD GLU A 61 -8.826 16.438 -9.392 1.00 0.00 C ATOM 875 OE1 GLU A 61 -7.992 16.748 -10.268 1.00 0.00 O ATOM 876 OE2 GLU A 61 -9.587 15.452 -9.489 1.00 0.00 O ATOM 0 H GLU A 61 -8.403 18.326 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.474 20.693 -7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.812 19.073 -9.341 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.343 18.711 -8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.336 16.846 -7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.956 17.330 -7.810 1.00 0.00 H new ATOM 883 N GLY A 62 -10.958 20.735 -7.898 1.00 0.00 N ATOM 884 CA GLY A 62 -12.401 20.888 -7.888 1.00 0.00 C ATOM 885 C GLY A 62 -13.083 20.025 -8.931 1.00 0.00 C ATOM 886 O GLY A 62 -13.089 20.360 -10.115 1.00 0.00 O ATOM 0 H GLY A 62 -10.459 21.417 -8.469 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.784 20.630 -6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.654 21.934 -8.064 1.00 0.00 H new ATOM 890 N GLN A 63 -13.658 18.911 -8.490 1.00 0.00 N ATOM 891 CA GLN A 63 -14.344 17.996 -9.395 1.00 0.00 C ATOM 892 C GLN A 63 -15.665 18.591 -9.871 1.00 0.00 C ATOM 893 O GLN A 63 -16.319 19.340 -9.145 1.00 0.00 O ATOM 894 CB GLN A 63 -14.595 16.655 -8.704 1.00 0.00 C ATOM 895 CG GLN A 63 -15.548 16.746 -7.524 1.00 0.00 C ATOM 896 CD GLN A 63 -16.097 15.395 -7.111 1.00 0.00 C ATOM 897 OE1 GLN A 63 -15.658 14.356 -7.604 1.00 0.00 O ATOM 898 NE2 GLN A 63 -17.064 15.402 -6.200 1.00 0.00 N ATOM 0 H GLN A 63 -13.663 18.620 -7.512 1.00 0.00 H new ATOM 0 HA GLN A 63 -13.705 17.835 -10.263 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.998 15.951 -9.432 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.643 16.249 -8.361 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.030 17.197 -6.678 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.376 17.407 -7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -17.398 16.287 -5.818 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.472 14.523 -5.883 1.00 0.00 H new ATOM 907 N LYS A 64 -16.053 18.253 -11.097 1.00 0.00 N ATOM 908 CA LYS A 64 -17.296 18.752 -11.671 1.00 0.00 C ATOM 909 C LYS A 64 -18.381 17.681 -11.634 1.00 0.00 C ATOM 910 O LYS A 64 -19.442 17.878 -11.042 1.00 0.00 O ATOM 911 CB LYS A 64 -17.067 19.212 -13.113 1.00 0.00 C ATOM 912 CG LYS A 64 -16.005 20.288 -13.247 1.00 0.00 C ATOM 913 CD LYS A 64 -16.123 21.028 -14.569 1.00 0.00 C ATOM 914 CE LYS A 64 -15.112 22.160 -14.667 1.00 0.00 C ATOM 915 NZ LYS A 64 -13.725 21.650 -14.851 1.00 0.00 N ATOM 0 H LYS A 64 -15.523 17.635 -11.712 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.628 19.601 -11.073 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -16.779 18.352 -13.718 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -18.006 19.588 -13.519 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.097 20.996 -12.423 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.016 19.836 -13.169 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.970 20.330 -15.392 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.131 21.429 -14.674 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.374 22.810 -15.502 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.159 22.768 -13.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.068 22.452 -14.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.459 21.064 -14.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.678 21.077 -15.718 1.00 0.00 H new ATOM 929 N TYR A 65 -18.107 16.546 -12.268 1.00 0.00 N ATOM 930 CA TYR A 65 -19.061 15.444 -12.309 1.00 0.00 C ATOM 931 C TYR A 65 -18.656 14.337 -11.339 1.00 0.00 C ATOM 932 O TYR A 65 -17.494 14.234 -10.948 1.00 0.00 O ATOM 933 CB TYR A 65 -19.163 14.881 -13.727 1.00 0.00 C ATOM 934 CG TYR A 65 -19.883 13.554 -13.802 1.00 0.00 C ATOM 935 CD1 TYR A 65 -21.271 13.493 -13.809 1.00 0.00 C ATOM 936 CD2 TYR A 65 -19.174 12.360 -13.867 1.00 0.00 C ATOM 937 CE1 TYR A 65 -21.932 12.282 -13.876 1.00 0.00 C ATOM 938 CE2 TYR A 65 -19.827 11.145 -13.937 1.00 0.00 C ATOM 939 CZ TYR A 65 -21.206 11.111 -13.940 1.00 0.00 C ATOM 940 OH TYR A 65 -21.861 9.902 -14.009 1.00 0.00 O ATOM 0 H TYR A 65 -17.232 16.365 -12.760 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.035 15.830 -12.008 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -19.682 15.602 -14.359 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -18.159 14.764 -14.135 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -21.843 14.408 -13.761 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -18.094 12.383 -13.863 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -23.012 12.252 -13.878 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -19.261 10.227 -13.989 1.00 0.00 H new ATOM 0 HH TYR A 65 -21.204 9.176 -14.049 1.00 0.00 H new ATOM 950 N GLY A 66 -19.624 13.511 -10.956 1.00 0.00 N ATOM 951 CA GLY A 66 -19.350 12.423 -10.036 1.00 0.00 C ATOM 952 C GLY A 66 -19.999 11.122 -10.467 1.00 0.00 C ATOM 953 O GLY A 66 -21.039 11.127 -11.124 1.00 0.00 O ATOM 0 H GLY A 66 -20.593 13.576 -11.266 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.272 12.280 -9.958 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -19.708 12.692 -9.042 1.00 0.00 H new ATOM 957 N GLY A 67 -19.383 10.004 -10.097 1.00 0.00 N ATOM 958 CA GLY A 67 -19.920 8.705 -10.460 1.00 0.00 C ATOM 959 C GLY A 67 -21.084 8.294 -9.580 1.00 0.00 C ATOM 960 O GLY A 67 -21.482 9.031 -8.678 1.00 0.00 O ATOM 0 H GLY A 67 -18.521 9.974 -9.552 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.245 8.727 -11.500 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -19.131 7.956 -10.388 1.00 0.00 H new ATOM 964 N LYS A 68 -21.633 7.112 -9.842 1.00 0.00 N ATOM 965 CA LYS A 68 -22.759 6.602 -9.069 1.00 0.00 C ATOM 966 C LYS A 68 -22.304 6.135 -7.690 1.00 0.00 C ATOM 967 O LYS A 68 -21.401 5.308 -7.570 1.00 0.00 O ATOM 968 CB LYS A 68 -23.434 5.448 -9.813 1.00 0.00 C ATOM 969 CG LYS A 68 -24.894 5.257 -9.441 1.00 0.00 C ATOM 970 CD LYS A 68 -25.045 4.400 -8.195 1.00 0.00 C ATOM 971 CE LYS A 68 -24.800 2.930 -8.496 1.00 0.00 C ATOM 972 NZ LYS A 68 -25.974 2.295 -9.157 1.00 0.00 N ATOM 0 H LYS A 68 -21.316 6.489 -10.585 1.00 0.00 H new ATOM 0 HA LYS A 68 -23.477 7.412 -8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.361 5.626 -10.886 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -22.891 4.526 -9.606 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -25.358 6.229 -9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -25.424 4.790 -10.271 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -24.343 4.738 -7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -26.047 4.526 -7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -23.925 2.832 -9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -24.576 2.402 -7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -25.767 1.293 -9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -26.804 2.366 -8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -26.173 2.782 -10.054 1.00 0.00 H new ATOM 986 N GLY A 69 -22.937 6.670 -6.650 1.00 0.00 N ATOM 987 CA GLY A 69 -22.584 6.295 -5.293 1.00 0.00 C ATOM 988 C GLY A 69 -22.651 7.464 -4.332 1.00 0.00 C ATOM 989 O GLY A 69 -22.218 8.570 -4.657 1.00 0.00 O ATOM 0 H GLY A 69 -23.688 7.356 -6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -23.256 5.508 -4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -21.576 5.879 -5.285 1.00 0.00 H new ATOM 993 N TYR A 70 -23.197 7.222 -3.145 1.00 0.00 N ATOM 994 CA TYR A 70 -23.323 8.266 -2.135 1.00 0.00 C ATOM 995 C TYR A 70 -23.308 7.669 -0.731 1.00 0.00 C ATOM 996 O TYR A 70 -24.112 6.795 -0.407 1.00 0.00 O ATOM 997 CB TYR A 70 -24.613 9.059 -2.349 1.00 0.00 C ATOM 998 CG TYR A 70 -24.639 9.834 -3.648 1.00 0.00 C ATOM 999 CD1 TYR A 70 -23.732 10.859 -3.886 1.00 0.00 C ATOM 1000 CD2 TYR A 70 -25.570 9.539 -4.636 1.00 0.00 C ATOM 1001 CE1 TYR A 70 -23.752 11.569 -5.070 1.00 0.00 C ATOM 1002 CE2 TYR A 70 -25.597 10.244 -5.825 1.00 0.00 C ATOM 1003 CZ TYR A 70 -24.686 11.258 -6.037 1.00 0.00 C ATOM 1004 OH TYR A 70 -24.709 11.963 -7.218 1.00 0.00 O ATOM 0 H TYR A 70 -23.559 6.312 -2.859 1.00 0.00 H new ATOM 0 HA TYR A 70 -22.470 8.938 -2.235 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -25.459 8.372 -2.328 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -24.745 9.753 -1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -22.999 11.105 -3.132 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -26.285 8.746 -4.473 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -23.040 12.364 -5.238 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -26.327 10.002 -6.583 1.00 0.00 H new ATOM 0 HH TYR A 70 -25.426 11.618 -7.791 1.00 0.00 H new ATOM 1014 N GLU A 71 -22.386 8.149 0.099 1.00 0.00 N ATOM 1015 CA GLU A 71 -22.265 7.663 1.469 1.00 0.00 C ATOM 1016 C GLU A 71 -22.987 8.592 2.441 1.00 0.00 C ATOM 1017 O GLU A 71 -23.475 9.654 2.055 1.00 0.00 O ATOM 1018 CB GLU A 71 -20.792 7.541 1.862 1.00 0.00 C ATOM 1019 CG GLU A 71 -20.046 8.865 1.846 1.00 0.00 C ATOM 1020 CD GLU A 71 -18.563 8.696 1.580 1.00 0.00 C ATOM 1021 OE1 GLU A 71 -18.203 8.298 0.453 1.00 0.00 O ATOM 1022 OE2 GLU A 71 -17.762 8.963 2.500 1.00 0.00 O ATOM 0 H GLU A 71 -21.713 8.873 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 71 -22.730 6.678 1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -20.726 7.108 2.860 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -20.299 6.848 1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -20.477 9.511 1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -20.185 9.367 2.803 1.00 0.00 H new ATOM 1029 N ALA A 72 -23.052 8.182 3.704 1.00 0.00 N ATOM 1030 CA ALA A 72 -23.712 8.977 4.732 1.00 0.00 C ATOM 1031 C ALA A 72 -23.168 10.401 4.759 1.00 0.00 C ATOM 1032 O ALA A 72 -22.054 10.643 5.226 1.00 0.00 O ATOM 1033 CB ALA A 72 -23.546 8.320 6.094 1.00 0.00 C ATOM 0 H ALA A 72 -22.656 7.304 4.039 1.00 0.00 H new ATOM 0 HA ALA A 72 -24.774 9.027 4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -24.044 8.924 6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -23.990 7.325 6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -22.485 8.240 6.332 1.00 0.00 H new ATOM 1039 N LYS A 73 -23.959 11.342 4.255 1.00 0.00 N ATOM 1040 CA LYS A 73 -23.558 12.743 4.222 1.00 0.00 C ATOM 1041 C LYS A 73 -24.590 13.622 4.921 1.00 0.00 C ATOM 1042 O LYS A 73 -25.780 13.309 4.931 1.00 0.00 O ATOM 1043 CB LYS A 73 -23.373 13.208 2.775 1.00 0.00 C ATOM 1044 CG LYS A 73 -23.012 14.678 2.650 1.00 0.00 C ATOM 1045 CD LYS A 73 -24.252 15.548 2.524 1.00 0.00 C ATOM 1046 CE LYS A 73 -24.695 15.679 1.075 1.00 0.00 C ATOM 1047 NZ LYS A 73 -26.135 16.044 0.966 1.00 0.00 N ATOM 0 H LYS A 73 -24.883 11.159 3.863 1.00 0.00 H new ATOM 0 HA LYS A 73 -22.610 12.836 4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -22.591 12.610 2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -24.293 13.020 2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -22.436 14.988 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -22.374 14.824 1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -25.061 15.119 3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -24.047 16.537 2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -24.090 16.437 0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -24.519 14.738 0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -26.398 16.124 -0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -26.715 15.309 1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -26.299 16.955 1.440 1.00 0.00 H new ATOM 1061 N SER A 74 -24.126 14.723 5.503 1.00 0.00 N ATOM 1062 CA SER A 74 -25.009 15.646 6.207 1.00 0.00 C ATOM 1063 C SER A 74 -26.344 15.780 5.481 1.00 0.00 C ATOM 1064 O SER A 74 -26.416 16.341 4.388 1.00 0.00 O ATOM 1065 CB SER A 74 -24.347 17.018 6.339 1.00 0.00 C ATOM 1066 OG SER A 74 -23.246 16.970 7.229 1.00 0.00 O ATOM 0 H SER A 74 -23.144 14.998 5.501 1.00 0.00 H new ATOM 0 HA SER A 74 -25.195 15.244 7.203 1.00 0.00 H new ATOM 0 HB2 SER A 74 -24.012 17.359 5.359 1.00 0.00 H new ATOM 0 HB3 SER A 74 -25.077 17.744 6.697 1.00 0.00 H new ATOM 0 HG SER A 74 -22.839 17.859 7.294 1.00 0.00 H new ATOM 1072 N GLY A 75 -27.401 15.260 6.097 1.00 0.00 N ATOM 1073 CA GLY A 75 -28.720 15.332 5.496 1.00 0.00 C ATOM 1074 C GLY A 75 -29.780 15.794 6.477 1.00 0.00 C ATOM 1075 O GLY A 75 -29.482 16.394 7.509 1.00 0.00 O ATOM 0 H GLY A 75 -27.367 14.790 7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -28.692 16.015 4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -28.993 14.351 5.107 1.00 0.00 H new ATOM 1079 N PRO A 76 -31.052 15.513 6.155 1.00 0.00 N ATOM 1080 CA PRO A 76 -32.185 15.896 7.002 1.00 0.00 C ATOM 1081 C PRO A 76 -32.235 15.098 8.300 1.00 0.00 C ATOM 1082 O PRO A 76 -31.336 14.308 8.589 1.00 0.00 O ATOM 1083 CB PRO A 76 -33.403 15.576 6.131 1.00 0.00 C ATOM 1084 CG PRO A 76 -32.933 14.512 5.200 1.00 0.00 C ATOM 1085 CD PRO A 76 -31.481 14.800 4.940 1.00 0.00 C ATOM 0 HA PRO A 76 -32.127 16.939 7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -34.242 15.231 6.735 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -33.743 16.457 5.586 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -33.062 13.523 5.641 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -33.505 14.525 4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -30.910 13.884 4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -31.346 15.410 4.047 1.00 0.00 H new ATOM 1093 N SER A 77 -33.290 15.309 9.080 1.00 0.00 N ATOM 1094 CA SER A 77 -33.455 14.611 10.350 1.00 0.00 C ATOM 1095 C SER A 77 -34.840 13.979 10.446 1.00 0.00 C ATOM 1096 O SER A 77 -35.756 14.349 9.712 1.00 0.00 O ATOM 1097 CB SER A 77 -33.240 15.576 11.518 1.00 0.00 C ATOM 1098 OG SER A 77 -31.981 16.220 11.422 1.00 0.00 O ATOM 0 H SER A 77 -34.044 15.958 8.855 1.00 0.00 H new ATOM 0 HA SER A 77 -32.709 13.818 10.401 1.00 0.00 H new ATOM 0 HB2 SER A 77 -34.034 16.323 11.528 1.00 0.00 H new ATOM 0 HB3 SER A 77 -33.303 15.031 12.460 1.00 0.00 H new ATOM 0 HG SER A 77 -31.868 16.832 12.179 1.00 0.00 H new ATOM 1104 N SER A 78 -34.984 13.022 11.358 1.00 0.00 N ATOM 1105 CA SER A 78 -36.255 12.334 11.549 1.00 0.00 C ATOM 1106 C SER A 78 -36.190 11.398 12.752 1.00 0.00 C ATOM 1107 O SER A 78 -35.140 11.237 13.372 1.00 0.00 O ATOM 1108 CB SER A 78 -36.626 11.544 10.293 1.00 0.00 C ATOM 1109 OG SER A 78 -38.031 11.398 10.178 1.00 0.00 O ATOM 0 H SER A 78 -34.236 12.706 11.976 1.00 0.00 H new ATOM 0 HA SER A 78 -37.022 13.085 11.736 1.00 0.00 H new ATOM 0 HB2 SER A 78 -36.237 12.053 9.411 1.00 0.00 H new ATOM 0 HB3 SER A 78 -36.157 10.561 10.326 1.00 0.00 H new ATOM 0 HG SER A 78 -38.242 10.891 9.366 1.00 0.00 H new ATOM 1115 N GLY A 79 -37.323 10.782 13.076 1.00 0.00 N ATOM 1116 CA GLY A 79 -37.375 9.869 14.203 1.00 0.00 C ATOM 1117 C GLY A 79 -38.738 9.843 14.866 1.00 0.00 C ATOM 1118 O GLY A 79 -39.545 10.736 14.612 1.00 0.00 O ATOM 0 H GLY A 79 -38.206 10.899 12.578 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -37.120 8.865 13.865 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -36.623 10.159 14.937 1.00 0.00 H new TER 1122 GLY A 79 HETATM 1123 ZN ZN A 201 3.942 -4.873 1.658 1.00 0.00 ZN HETATM 1124 ZN ZN A 401 -1.619 12.379 -2.153 1.00 0.00 ZN