USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 759 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 37 TYR OH : rot 30:sc= 0.623 USER MOD Set 1.2: A 101 HIS : no HE2:sc= 0.603 K(o=1.2,f=-6.6!) USER MOD Single : A 1 ALA N :NH3+ -162:sc= 1.23 (180deg=0.981) USER MOD Single : A 5 ASN : amide:sc= -0.496 X(o=-0.5,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 12 SER OG : rot 180:sc= 0.14 USER MOD Single : A 17 ASN : amide:sc= 1.08 K(o=1.1,f=-0.089) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 19 TYR OH : rot -179:sc= 1.17 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -74:sc= 0.939 USER MOD Single : A 29 SER OG : rot 73:sc= 1.26 USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.18) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -116:sc= 1.56 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -146:sc= 1.11 (180deg=-0.345) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -47:sc= 1.2 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc=-0.00572 K(o=-0.0057,f=-1.2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0.0828 USER MOD Single : A 85 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.46) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0613 USER MOD Single : A 92 LYS NZ :NH3+ 151:sc= 1.27 (180deg=-0.0445) USER MOD Single : A 93 ASN : amide:sc= -1.36! K(o=-1.4!,f=-0.02) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc=-0.000969 X(o=-0.00097,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 29.872 -7.049 -16.474 1.00 0.00 N ATOM 2 CA ALA A 1 29.267 -8.170 -15.721 1.00 0.00 C ATOM 3 C ALA A 1 28.983 -7.739 -14.288 1.00 0.00 C ATOM 4 O ALA A 1 29.890 -7.654 -13.454 1.00 0.00 O ATOM 5 CB ALA A 1 30.181 -9.387 -15.747 1.00 0.00 C ATOM 0 H1 ALA A 1 29.785 -7.229 -17.495 1.00 0.00 H new ATOM 0 H2 ALA A 1 29.380 -6.165 -16.235 1.00 0.00 H new ATOM 0 H3 ALA A 1 30.878 -6.964 -16.222 1.00 0.00 H new ATOM 0 HA ALA A 1 28.325 -8.446 -16.196 1.00 0.00 H new ATOM 0 HB1 ALA A 1 29.719 -10.201 -15.188 1.00 0.00 H new ATOM 0 HB2 ALA A 1 30.341 -9.700 -16.779 1.00 0.00 H new ATOM 0 HB3 ALA A 1 31.139 -9.133 -15.293 1.00 0.00 H new ATOM 13 N GLU A 2 27.738 -7.371 -14.036 1.00 0.00 N ATOM 14 CA GLU A 2 27.343 -6.835 -12.746 1.00 0.00 C ATOM 15 C GLU A 2 26.639 -7.906 -11.921 1.00 0.00 C ATOM 16 O GLU A 2 25.802 -8.645 -12.437 1.00 0.00 O ATOM 17 CB GLU A 2 26.423 -5.624 -12.939 1.00 0.00 C ATOM 18 CG GLU A 2 27.109 -4.431 -13.596 1.00 0.00 C ATOM 19 CD GLU A 2 27.273 -4.594 -15.096 1.00 0.00 C ATOM 20 OE1 GLU A 2 26.269 -4.462 -15.830 1.00 0.00 O ATOM 21 OE2 GLU A 2 28.407 -4.862 -15.549 1.00 0.00 O ATOM 0 H GLU A 2 26.979 -7.435 -14.714 1.00 0.00 H new ATOM 0 HA GLU A 2 28.237 -6.516 -12.210 1.00 0.00 H new ATOM 0 HB2 GLU A 2 25.569 -5.921 -13.548 1.00 0.00 H new ATOM 0 HB3 GLU A 2 26.032 -5.318 -11.969 1.00 0.00 H new ATOM 0 HG2 GLU A 2 26.530 -3.530 -13.395 1.00 0.00 H new ATOM 0 HG3 GLU A 2 28.090 -4.287 -13.142 1.00 0.00 H new ATOM 28 N PHE A 3 27.017 -8.022 -10.654 1.00 0.00 N ATOM 29 CA PHE A 3 26.459 -9.047 -9.776 1.00 0.00 C ATOM 30 C PHE A 3 25.097 -8.633 -9.220 1.00 0.00 C ATOM 31 O PHE A 3 24.826 -8.813 -8.033 1.00 0.00 O ATOM 32 CB PHE A 3 27.427 -9.339 -8.629 1.00 0.00 C ATOM 33 CG PHE A 3 28.243 -10.583 -8.837 1.00 0.00 C ATOM 34 CD1 PHE A 3 29.184 -10.649 -9.852 1.00 0.00 C ATOM 35 CD2 PHE A 3 28.067 -11.688 -8.020 1.00 0.00 C ATOM 36 CE1 PHE A 3 29.935 -11.792 -10.048 1.00 0.00 C ATOM 37 CE2 PHE A 3 28.817 -12.835 -8.210 1.00 0.00 C ATOM 38 CZ PHE A 3 29.751 -12.886 -9.225 1.00 0.00 C ATOM 0 H PHE A 3 27.709 -7.419 -10.209 1.00 0.00 H new ATOM 0 HA PHE A 3 26.316 -9.951 -10.369 1.00 0.00 H new ATOM 0 HB2 PHE A 3 28.099 -8.490 -8.506 1.00 0.00 H new ATOM 0 HB3 PHE A 3 26.861 -9.435 -7.702 1.00 0.00 H new ATOM 0 HD1 PHE A 3 29.332 -9.796 -10.498 1.00 0.00 H new ATOM 0 HD2 PHE A 3 27.336 -11.654 -7.226 1.00 0.00 H new ATOM 0 HE1 PHE A 3 30.665 -11.830 -10.843 1.00 0.00 H new ATOM 0 HE2 PHE A 3 28.672 -13.689 -7.565 1.00 0.00 H new ATOM 0 HZ PHE A 3 30.337 -13.780 -9.376 1.00 0.00 H new ATOM 48 N GLY A 4 24.228 -8.138 -10.101 1.00 0.00 N ATOM 49 CA GLY A 4 22.877 -7.766 -9.716 1.00 0.00 C ATOM 50 C GLY A 4 22.841 -6.820 -8.533 1.00 0.00 C ATOM 51 O GLY A 4 22.084 -7.031 -7.585 1.00 0.00 O ATOM 0 H GLY A 4 24.441 -7.987 -11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.379 -7.298 -10.565 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.313 -8.666 -9.472 1.00 0.00 H new ATOM 55 N ASN A 5 23.676 -5.793 -8.577 1.00 0.00 N ATOM 56 CA ASN A 5 23.751 -4.832 -7.487 1.00 0.00 C ATOM 57 C ASN A 5 22.452 -4.047 -7.377 1.00 0.00 C ATOM 58 O ASN A 5 22.018 -3.407 -8.336 1.00 0.00 O ATOM 59 CB ASN A 5 24.929 -3.877 -7.684 1.00 0.00 C ATOM 60 CG ASN A 5 25.082 -2.898 -6.532 1.00 0.00 C ATOM 61 OD1 ASN A 5 25.322 -1.712 -6.740 1.00 0.00 O ATOM 62 ND2 ASN A 5 24.943 -3.386 -5.308 1.00 0.00 N ATOM 0 H ASN A 5 24.310 -5.604 -9.354 1.00 0.00 H new ATOM 0 HA ASN A 5 23.906 -5.384 -6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 5 25.847 -4.455 -7.790 1.00 0.00 H new ATOM 0 HB3 ASN A 5 24.792 -3.322 -8.612 1.00 0.00 H new ATOM 0 HD21 ASN A 5 25.035 -2.770 -4.500 1.00 0.00 H new ATOM 0 HD22 ASN A 5 24.744 -4.377 -5.174 1.00 0.00 H new ATOM 69 N THR A 6 21.811 -4.160 -6.221 1.00 0.00 N ATOM 70 CA THR A 6 20.525 -3.528 -5.976 1.00 0.00 C ATOM 71 C THR A 6 20.642 -2.005 -5.928 1.00 0.00 C ATOM 72 O THR A 6 20.751 -1.408 -4.855 1.00 0.00 O ATOM 73 CB THR A 6 19.925 -4.044 -4.660 1.00 0.00 C ATOM 74 OG1 THR A 6 20.595 -5.255 -4.272 1.00 0.00 O ATOM 75 CG2 THR A 6 18.434 -4.302 -4.807 1.00 0.00 C ATOM 0 H THR A 6 22.169 -4.693 -5.428 1.00 0.00 H new ATOM 0 HA THR A 6 19.868 -3.788 -6.806 1.00 0.00 H new ATOM 0 HB THR A 6 20.064 -3.284 -3.891 1.00 0.00 H new ATOM 0 HG1 THR A 6 20.214 -5.585 -3.431 1.00 0.00 H new ATOM 0 HG21 THR A 6 18.033 -4.667 -3.861 1.00 0.00 H new ATOM 0 HG22 THR A 6 17.930 -3.376 -5.082 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.269 -5.049 -5.583 1.00 0.00 H new ATOM 83 N LYS A 7 20.592 -1.392 -7.100 1.00 0.00 N ATOM 84 CA LYS A 7 20.659 0.057 -7.233 1.00 0.00 C ATOM 85 C LYS A 7 20.195 0.462 -8.625 1.00 0.00 C ATOM 86 O LYS A 7 19.043 0.847 -8.817 1.00 0.00 O ATOM 87 CB LYS A 7 22.084 0.564 -6.981 1.00 0.00 C ATOM 88 CG LYS A 7 22.144 1.765 -6.051 1.00 0.00 C ATOM 89 CD LYS A 7 21.869 3.064 -6.793 1.00 0.00 C ATOM 90 CE LYS A 7 20.661 3.790 -6.219 1.00 0.00 C ATOM 91 NZ LYS A 7 21.026 5.123 -5.677 1.00 0.00 N ATOM 0 H LYS A 7 20.504 -1.885 -7.988 1.00 0.00 H new ATOM 0 HA LYS A 7 20.004 0.508 -6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 7 22.679 -0.244 -6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 7 22.541 0.829 -7.934 1.00 0.00 H new ATOM 0 HG2 LYS A 7 21.415 1.642 -5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 7 23.127 1.814 -5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 7 22.745 3.710 -6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 7 21.700 2.852 -7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 7 19.905 3.908 -6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 7 20.215 3.186 -5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 20.177 5.587 -5.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.729 5.009 -4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.428 5.708 -6.437 1.00 0.00 H new ATOM 105 N ASN A 8 21.068 0.288 -9.606 1.00 0.00 N ATOM 106 CA ASN A 8 20.713 0.549 -10.996 1.00 0.00 C ATOM 107 C ASN A 8 20.649 -0.759 -11.768 1.00 0.00 C ATOM 108 O ASN A 8 20.298 -0.786 -12.947 1.00 0.00 O ATOM 109 CB ASN A 8 21.722 1.498 -11.648 1.00 0.00 C ATOM 110 CG ASN A 8 21.074 2.774 -12.155 1.00 0.00 C ATOM 111 OD1 ASN A 8 21.065 3.796 -11.468 1.00 0.00 O ATOM 112 ND2 ASN A 8 20.537 2.729 -13.364 1.00 0.00 N ATOM 0 H ASN A 8 22.026 -0.032 -9.467 1.00 0.00 H new ATOM 0 HA ASN A 8 19.733 1.027 -11.018 1.00 0.00 H new ATOM 0 HB2 ASN A 8 22.498 1.750 -10.926 1.00 0.00 H new ATOM 0 HB3 ASN A 8 22.212 0.988 -12.478 1.00 0.00 H new ATOM 0 HD21 ASN A 8 20.096 3.560 -13.757 1.00 0.00 H new ATOM 0 HD22 ASN A 8 20.565 1.863 -13.902 1.00 0.00 H new ATOM 119 N ASN A 9 20.949 -1.851 -11.074 1.00 0.00 N ATOM 120 CA ASN A 9 20.885 -3.182 -11.661 1.00 0.00 C ATOM 121 C ASN A 9 19.890 -4.041 -10.894 1.00 0.00 C ATOM 122 O ASN A 9 19.432 -3.661 -9.814 1.00 0.00 O ATOM 123 CB ASN A 9 22.262 -3.864 -11.645 1.00 0.00 C ATOM 124 CG ASN A 9 23.392 -2.951 -12.081 1.00 0.00 C ATOM 125 OD1 ASN A 9 24.360 -2.756 -11.348 1.00 0.00 O ATOM 126 ND2 ASN A 9 23.285 -2.392 -13.280 1.00 0.00 N ATOM 0 H ASN A 9 21.241 -1.839 -10.097 1.00 0.00 H new ATOM 0 HA ASN A 9 20.562 -3.076 -12.697 1.00 0.00 H new ATOM 0 HB2 ASN A 9 22.467 -4.228 -10.638 1.00 0.00 H new ATOM 0 HB3 ASN A 9 22.235 -4.735 -12.300 1.00 0.00 H new ATOM 0 HD21 ASN A 9 24.022 -1.776 -13.623 1.00 0.00 H new ATOM 0 HD22 ASN A 9 22.466 -2.579 -13.858 1.00 0.00 H new ATOM 133 N GLY A 10 19.562 -5.195 -11.452 1.00 0.00 N ATOM 134 CA GLY A 10 18.631 -6.094 -10.807 1.00 0.00 C ATOM 135 C GLY A 10 17.414 -6.365 -11.661 1.00 0.00 C ATOM 136 O GLY A 10 17.500 -7.070 -12.668 1.00 0.00 O ATOM 0 H GLY A 10 19.926 -5.526 -12.345 1.00 0.00 H new ATOM 0 HA2 GLY A 10 19.133 -7.035 -10.584 1.00 0.00 H new ATOM 0 HA3 GLY A 10 18.317 -5.667 -9.855 1.00 0.00 H new ATOM 140 N ALA A 11 16.289 -5.786 -11.277 1.00 0.00 N ATOM 141 CA ALA A 11 15.048 -5.942 -12.021 1.00 0.00 C ATOM 142 C ALA A 11 14.105 -4.790 -11.709 1.00 0.00 C ATOM 143 O ALA A 11 14.278 -4.102 -10.701 1.00 0.00 O ATOM 144 CB ALA A 11 14.388 -7.275 -11.687 1.00 0.00 C ATOM 0 H ALA A 11 16.209 -5.198 -10.447 1.00 0.00 H new ATOM 0 HA ALA A 11 15.276 -5.931 -13.087 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.461 -7.374 -12.253 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.062 -8.091 -11.949 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.168 -7.315 -10.620 1.00 0.00 H new ATOM 150 N SER A 12 13.113 -4.578 -12.566 1.00 0.00 N ATOM 151 CA SER A 12 12.147 -3.502 -12.379 1.00 0.00 C ATOM 152 C SER A 12 11.115 -3.871 -11.312 1.00 0.00 C ATOM 153 O SER A 12 9.915 -3.946 -11.582 1.00 0.00 O ATOM 154 CB SER A 12 11.453 -3.201 -13.706 1.00 0.00 C ATOM 155 OG SER A 12 11.714 -4.228 -14.653 1.00 0.00 O ATOM 0 H SER A 12 12.956 -5.141 -13.402 1.00 0.00 H new ATOM 0 HA SER A 12 12.677 -2.613 -12.039 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.378 -3.110 -13.548 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.800 -2.244 -14.095 1.00 0.00 H new ATOM 0 HG SER A 12 11.260 -4.019 -15.496 1.00 0.00 H new ATOM 161 N GLY A 13 11.596 -4.127 -10.106 1.00 0.00 N ATOM 162 CA GLY A 13 10.721 -4.512 -9.023 1.00 0.00 C ATOM 163 C GLY A 13 11.478 -4.724 -7.731 1.00 0.00 C ATOM 164 O GLY A 13 11.148 -5.610 -6.942 1.00 0.00 O ATOM 0 H GLY A 13 12.584 -4.074 -9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.964 -3.742 -8.877 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.196 -5.429 -9.290 1.00 0.00 H new ATOM 168 N ALA A 14 12.472 -3.886 -7.494 1.00 0.00 N ATOM 169 CA ALA A 14 13.249 -3.960 -6.268 1.00 0.00 C ATOM 170 C ALA A 14 12.798 -2.888 -5.286 1.00 0.00 C ATOM 171 O ALA A 14 12.498 -1.762 -5.689 1.00 0.00 O ATOM 172 CB ALA A 14 14.731 -3.820 -6.573 1.00 0.00 C ATOM 0 H ALA A 14 12.761 -3.146 -8.134 1.00 0.00 H new ATOM 0 HA ALA A 14 13.083 -4.935 -5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 14 15.300 -3.877 -5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.043 -4.624 -7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.915 -2.859 -7.053 1.00 0.00 H new ATOM 178 N ASP A 15 12.793 -3.244 -4.002 1.00 0.00 N ATOM 179 CA ASP A 15 12.432 -2.333 -2.908 1.00 0.00 C ATOM 180 C ASP A 15 10.965 -1.898 -2.972 1.00 0.00 C ATOM 181 O ASP A 15 10.158 -2.296 -2.131 1.00 0.00 O ATOM 182 CB ASP A 15 13.343 -1.103 -2.893 1.00 0.00 C ATOM 183 CG ASP A 15 14.085 -0.948 -1.581 1.00 0.00 C ATOM 184 OD1 ASP A 15 14.085 -1.909 -0.777 1.00 0.00 O ATOM 185 OD2 ASP A 15 14.675 0.129 -1.350 1.00 0.00 O ATOM 0 H ASP A 15 13.041 -4.181 -3.685 1.00 0.00 H new ATOM 0 HA ASP A 15 12.571 -2.890 -1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.063 -1.178 -3.708 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.746 -0.210 -3.077 1.00 0.00 H new ATOM 190 N ILE A 16 10.637 -1.061 -3.950 1.00 0.00 N ATOM 191 CA ILE A 16 9.282 -0.531 -4.112 1.00 0.00 C ATOM 192 C ILE A 16 8.250 -1.650 -4.217 1.00 0.00 C ATOM 193 O ILE A 16 7.241 -1.649 -3.509 1.00 0.00 O ATOM 194 CB ILE A 16 9.176 0.362 -5.372 1.00 0.00 C ATOM 195 CG1 ILE A 16 10.419 1.246 -5.515 1.00 0.00 C ATOM 196 CG2 ILE A 16 7.914 1.212 -5.321 1.00 0.00 C ATOM 197 CD1 ILE A 16 11.063 1.162 -6.884 1.00 0.00 C ATOM 0 H ILE A 16 11.298 -0.730 -4.652 1.00 0.00 H new ATOM 0 HA ILE A 16 9.074 0.066 -3.224 1.00 0.00 H new ATOM 0 HB ILE A 16 9.117 -0.286 -6.247 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.144 2.281 -5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.150 0.957 -4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.857 1.833 -6.215 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.040 0.563 -5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.940 1.850 -4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.937 1.813 -6.915 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.368 0.134 -7.080 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.347 1.479 -7.643 1.00 0.00 H new ATOM 209 N ASN A 17 8.509 -2.601 -5.106 1.00 0.00 N ATOM 210 CA ASN A 17 7.604 -3.731 -5.316 1.00 0.00 C ATOM 211 C ASN A 17 7.473 -4.570 -4.046 1.00 0.00 C ATOM 212 O ASN A 17 6.392 -5.074 -3.728 1.00 0.00 O ATOM 213 CB ASN A 17 8.105 -4.591 -6.485 1.00 0.00 C ATOM 214 CG ASN A 17 7.747 -6.064 -6.346 1.00 0.00 C ATOM 215 OD1 ASN A 17 6.573 -6.427 -6.285 1.00 0.00 O ATOM 216 ND2 ASN A 17 8.757 -6.922 -6.309 1.00 0.00 N ATOM 0 H ASN A 17 9.341 -2.615 -5.696 1.00 0.00 H new ATOM 0 HA ASN A 17 6.615 -3.343 -5.562 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.684 -4.208 -7.415 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.188 -4.493 -6.561 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.574 -7.922 -6.227 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.717 -6.582 -6.362 1.00 0.00 H new ATOM 223 N ASN A 18 8.564 -4.681 -3.304 1.00 0.00 N ATOM 224 CA ASN A 18 8.562 -5.419 -2.049 1.00 0.00 C ATOM 225 C ASN A 18 7.684 -4.722 -1.014 1.00 0.00 C ATOM 226 O ASN A 18 6.856 -5.359 -0.363 1.00 0.00 O ATOM 227 CB ASN A 18 9.990 -5.566 -1.520 1.00 0.00 C ATOM 228 CG ASN A 18 10.033 -6.104 -0.102 1.00 0.00 C ATOM 229 OD1 ASN A 18 10.062 -5.340 0.863 1.00 0.00 O ATOM 230 ND2 ASN A 18 10.035 -7.420 0.038 1.00 0.00 N ATOM 0 H ASN A 18 9.464 -4.269 -3.549 1.00 0.00 H new ATOM 0 HA ASN A 18 8.151 -6.411 -2.234 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.550 -6.233 -2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.487 -4.597 -1.552 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.061 -7.834 0.970 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.010 -8.021 -0.786 1.00 0.00 H new ATOM 237 N TYR A 19 7.877 -3.414 -0.863 1.00 0.00 N ATOM 238 CA TYR A 19 7.117 -2.627 0.105 1.00 0.00 C ATOM 239 C TYR A 19 5.616 -2.730 -0.153 1.00 0.00 C ATOM 240 O TYR A 19 4.826 -2.874 0.781 1.00 0.00 O ATOM 241 CB TYR A 19 7.552 -1.163 0.063 1.00 0.00 C ATOM 242 CG TYR A 19 7.746 -0.557 1.432 1.00 0.00 C ATOM 243 CD1 TYR A 19 8.920 -0.765 2.143 1.00 0.00 C ATOM 244 CD2 TYR A 19 6.754 0.221 2.016 1.00 0.00 C ATOM 245 CE1 TYR A 19 9.101 -0.214 3.396 1.00 0.00 C ATOM 246 CE2 TYR A 19 6.927 0.776 3.269 1.00 0.00 C ATOM 247 CZ TYR A 19 8.103 0.555 3.954 1.00 0.00 C ATOM 248 OH TYR A 19 8.279 1.104 5.201 1.00 0.00 O ATOM 0 H TYR A 19 8.556 -2.875 -1.401 1.00 0.00 H new ATOM 0 HA TYR A 19 7.323 -3.033 1.096 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.484 -1.084 -0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.804 -0.585 -0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.704 -1.367 1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.832 0.395 1.481 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.020 -0.385 3.936 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.146 1.379 3.709 1.00 0.00 H new ATOM 0 HH TYR A 19 7.476 1.605 5.454 1.00 0.00 H new ATOM 258 N ALA A 20 5.238 -2.704 -1.427 1.00 0.00 N ATOM 259 CA ALA A 20 3.840 -2.842 -1.813 1.00 0.00 C ATOM 260 C ALA A 20 3.284 -4.191 -1.361 1.00 0.00 C ATOM 261 O ALA A 20 2.133 -4.291 -0.933 1.00 0.00 O ATOM 262 CB ALA A 20 3.688 -2.677 -3.320 1.00 0.00 C ATOM 0 H ALA A 20 5.882 -2.588 -2.210 1.00 0.00 H new ATOM 0 HA ALA A 20 3.268 -2.057 -1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.638 -2.783 -3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.042 -1.689 -3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.275 -3.441 -3.831 1.00 0.00 H new ATOM 268 N GLY A 21 4.131 -5.213 -1.409 1.00 0.00 N ATOM 269 CA GLY A 21 3.739 -6.535 -0.961 1.00 0.00 C ATOM 270 C GLY A 21 3.511 -6.598 0.535 1.00 0.00 C ATOM 271 O GLY A 21 2.597 -7.281 1.002 1.00 0.00 O ATOM 0 H GLY A 21 5.089 -5.148 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.827 -6.834 -1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.511 -7.253 -1.238 1.00 0.00 H new ATOM 275 N GLN A 22 4.333 -5.872 1.286 1.00 0.00 N ATOM 276 CA GLN A 22 4.213 -5.831 2.741 1.00 0.00 C ATOM 277 C GLN A 22 2.897 -5.184 3.153 1.00 0.00 C ATOM 278 O GLN A 22 2.254 -5.614 4.110 1.00 0.00 O ATOM 279 CB GLN A 22 5.384 -5.065 3.363 1.00 0.00 C ATOM 280 CG GLN A 22 6.741 -5.452 2.799 1.00 0.00 C ATOM 281 CD GLN A 22 7.723 -5.888 3.871 1.00 0.00 C ATOM 282 OE1 GLN A 22 8.492 -5.081 4.392 1.00 0.00 O ATOM 283 NE2 GLN A 22 7.703 -7.169 4.204 1.00 0.00 N ATOM 0 H GLN A 22 5.091 -5.302 0.911 1.00 0.00 H new ATOM 0 HA GLN A 22 4.233 -6.858 3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.229 -3.997 3.210 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.387 -5.236 4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.613 -6.261 2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.158 -4.605 2.254 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.049 -7.805 3.747 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.341 -7.520 4.918 1.00 0.00 H new ATOM 292 N ILE A 23 2.484 -4.168 2.407 1.00 0.00 N ATOM 293 CA ILE A 23 1.227 -3.488 2.677 1.00 0.00 C ATOM 294 C ILE A 23 0.048 -4.365 2.264 1.00 0.00 C ATOM 295 O ILE A 23 -0.961 -4.437 2.965 1.00 0.00 O ATOM 296 CB ILE A 23 1.143 -2.136 1.941 1.00 0.00 C ATOM 297 CG1 ILE A 23 2.363 -1.277 2.266 1.00 0.00 C ATOM 298 CG2 ILE A 23 -0.137 -1.398 2.312 1.00 0.00 C ATOM 299 CD1 ILE A 23 2.578 -0.151 1.281 1.00 0.00 C ATOM 0 H ILE A 23 3.002 -3.798 1.610 1.00 0.00 H new ATOM 0 HA ILE A 23 1.184 -3.298 3.750 1.00 0.00 H new ATOM 0 HB ILE A 23 1.128 -2.331 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.249 -0.859 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.250 -1.910 2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.175 -0.447 1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.000 -2.004 2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.153 -1.215 3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.460 0.421 1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.723 -0.564 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.706 0.503 1.280 1.00 0.00 H new ATOM 311 N LYS A 24 0.196 -5.042 1.128 1.00 0.00 N ATOM 312 CA LYS A 24 -0.838 -5.935 0.609 1.00 0.00 C ATOM 313 C LYS A 24 -1.206 -7.015 1.627 1.00 0.00 C ATOM 314 O LYS A 24 -2.372 -7.383 1.762 1.00 0.00 O ATOM 315 CB LYS A 24 -0.366 -6.594 -0.691 1.00 0.00 C ATOM 316 CG LYS A 24 -0.888 -5.915 -1.948 1.00 0.00 C ATOM 317 CD LYS A 24 -1.373 -6.935 -2.968 1.00 0.00 C ATOM 318 CE LYS A 24 -1.207 -6.431 -4.392 1.00 0.00 C ATOM 319 NZ LYS A 24 -0.091 -7.112 -5.100 1.00 0.00 N ATOM 0 H LYS A 24 1.031 -4.988 0.544 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.725 -5.333 0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.724 -6.592 -0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.683 -7.637 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.705 -5.242 -1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.100 -5.304 -2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.818 -7.865 -2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.423 -7.163 -2.783 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.135 -6.589 -4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.024 -5.357 -4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.014 -6.738 -6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.799 -6.941 -4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.277 -8.135 -5.138 1.00 0.00 H new ATOM 333 N SER A 25 -0.210 -7.515 2.345 1.00 0.00 N ATOM 334 CA SER A 25 -0.442 -8.542 3.348 1.00 0.00 C ATOM 335 C SER A 25 -1.006 -7.929 4.628 1.00 0.00 C ATOM 336 O SER A 25 -1.926 -8.476 5.239 1.00 0.00 O ATOM 337 CB SER A 25 0.858 -9.293 3.644 1.00 0.00 C ATOM 338 OG SER A 25 1.993 -8.497 3.330 1.00 0.00 O ATOM 0 H SER A 25 0.764 -7.226 2.251 1.00 0.00 H new ATOM 0 HA SER A 25 -1.174 -9.248 2.957 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.887 -9.574 4.697 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.887 -10.217 3.066 1.00 0.00 H new ATOM 0 HG SER A 25 2.098 -8.446 2.357 1.00 0.00 H new ATOM 344 N ALA A 26 -0.440 -6.793 5.032 1.00 0.00 N ATOM 345 CA ALA A 26 -0.865 -6.104 6.245 1.00 0.00 C ATOM 346 C ALA A 26 -2.335 -5.713 6.176 1.00 0.00 C ATOM 347 O ALA A 26 -3.088 -5.918 7.127 1.00 0.00 O ATOM 348 CB ALA A 26 -0.008 -4.868 6.480 1.00 0.00 C ATOM 0 H ALA A 26 0.319 -6.329 4.532 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.737 -6.793 7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.337 -4.364 7.389 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.036 -5.164 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.108 -4.190 5.633 1.00 0.00 H new ATOM 354 N ILE A 27 -2.728 -5.125 5.056 1.00 0.00 N ATOM 355 CA ILE A 27 -4.095 -4.664 4.863 1.00 0.00 C ATOM 356 C ILE A 27 -5.081 -5.833 4.863 1.00 0.00 C ATOM 357 O ILE A 27 -6.161 -5.745 5.444 1.00 0.00 O ATOM 358 CB ILE A 27 -4.213 -3.854 3.550 1.00 0.00 C ATOM 359 CG1 ILE A 27 -3.523 -2.493 3.729 1.00 0.00 C ATOM 360 CG2 ILE A 27 -5.668 -3.685 3.136 1.00 0.00 C ATOM 361 CD1 ILE A 27 -3.929 -1.448 2.709 1.00 0.00 C ATOM 0 H ILE A 27 -2.113 -4.955 4.260 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.350 -4.013 5.699 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.716 -4.401 2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.745 -2.115 4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.444 -2.636 3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.719 -3.112 2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.118 -4.665 2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.210 -3.157 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.396 -0.519 2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.681 -1.801 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.003 -1.272 2.776 1.00 0.00 H new ATOM 373 N GLU A 28 -4.685 -6.939 4.249 1.00 0.00 N ATOM 374 CA GLU A 28 -5.520 -8.133 4.217 1.00 0.00 C ATOM 375 C GLU A 28 -5.654 -8.759 5.605 1.00 0.00 C ATOM 376 O GLU A 28 -6.609 -9.480 5.878 1.00 0.00 O ATOM 377 CB GLU A 28 -4.955 -9.151 3.231 1.00 0.00 C ATOM 378 CG GLU A 28 -5.830 -9.342 2.007 1.00 0.00 C ATOM 379 CD GLU A 28 -6.783 -10.509 2.150 1.00 0.00 C ATOM 380 OE1 GLU A 28 -6.349 -11.660 1.954 1.00 0.00 O ATOM 381 OE2 GLU A 28 -7.974 -10.287 2.436 1.00 0.00 O ATOM 0 H GLU A 28 -3.792 -7.035 3.766 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.515 -7.834 3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.963 -8.829 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.833 -10.109 3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.401 -8.431 1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.197 -9.499 1.133 1.00 0.00 H new ATOM 388 N SER A 29 -4.717 -8.447 6.489 1.00 0.00 N ATOM 389 CA SER A 29 -4.761 -8.944 7.860 1.00 0.00 C ATOM 390 C SER A 29 -5.388 -7.906 8.791 1.00 0.00 C ATOM 391 O SER A 29 -5.262 -7.989 10.015 1.00 0.00 O ATOM 392 CB SER A 29 -3.352 -9.302 8.334 1.00 0.00 C ATOM 393 OG SER A 29 -2.643 -10.021 7.336 1.00 0.00 O ATOM 0 H SER A 29 -3.915 -7.851 6.282 1.00 0.00 H new ATOM 0 HA SER A 29 -5.380 -9.841 7.884 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.808 -8.392 8.586 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.412 -9.900 9.243 1.00 0.00 H new ATOM 0 HG SER A 29 -2.396 -9.413 6.608 1.00 0.00 H new ATOM 399 N LYS A 30 -6.095 -6.951 8.197 1.00 0.00 N ATOM 400 CA LYS A 30 -6.792 -5.907 8.936 1.00 0.00 C ATOM 401 C LYS A 30 -7.991 -5.494 8.113 1.00 0.00 C ATOM 402 O LYS A 30 -8.287 -4.311 7.956 1.00 0.00 O ATOM 403 CB LYS A 30 -5.878 -4.698 9.177 1.00 0.00 C ATOM 404 CG LYS A 30 -4.839 -4.915 10.262 1.00 0.00 C ATOM 405 CD LYS A 30 -5.270 -4.305 11.585 1.00 0.00 C ATOM 406 CE LYS A 30 -4.135 -4.316 12.597 1.00 0.00 C ATOM 407 NZ LYS A 30 -4.064 -3.052 13.377 1.00 0.00 N ATOM 0 H LYS A 30 -6.201 -6.880 7.185 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.099 -6.283 9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.369 -4.449 8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.493 -3.838 9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.668 -5.983 10.393 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.891 -4.476 9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.605 -3.281 11.423 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.120 -4.859 11.983 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.268 -5.155 13.280 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.190 -4.474 12.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.266 -3.099 14.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.928 -2.251 12.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.949 -2.921 13.908 1.00 0.00 H new ATOM 421 N PHE A 31 -8.506 -6.480 7.402 1.00 0.00 N ATOM 422 CA PHE A 31 -9.476 -6.267 6.365 1.00 0.00 C ATOM 423 C PHE A 31 -10.775 -5.652 6.880 1.00 0.00 C ATOM 424 O PHE A 31 -11.407 -4.880 6.160 1.00 0.00 O ATOM 425 CB PHE A 31 -9.755 -7.606 5.671 1.00 0.00 C ATOM 426 CG PHE A 31 -10.192 -8.717 6.595 1.00 0.00 C ATOM 427 CD1 PHE A 31 -9.258 -9.490 7.269 1.00 0.00 C ATOM 428 CD2 PHE A 31 -11.537 -8.993 6.783 1.00 0.00 C ATOM 429 CE1 PHE A 31 -9.656 -10.511 8.110 1.00 0.00 C ATOM 430 CE2 PHE A 31 -11.943 -10.013 7.623 1.00 0.00 C ATOM 431 CZ PHE A 31 -11.001 -10.774 8.286 1.00 0.00 C ATOM 0 H PHE A 31 -8.254 -7.459 7.536 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.061 -5.548 5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.527 -7.455 4.917 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.854 -7.922 5.146 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.205 -9.291 7.134 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -12.279 -8.403 6.266 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.917 -11.103 8.629 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.995 -10.214 7.760 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.315 -11.573 8.941 1.00 0.00 H new ATOM 441 N TYR A 32 -11.247 -6.133 8.035 1.00 0.00 N ATOM 442 CA TYR A 32 -12.575 -5.786 8.553 1.00 0.00 C ATOM 443 C TYR A 32 -13.653 -6.432 7.681 1.00 0.00 C ATOM 444 O TYR A 32 -14.263 -7.426 8.074 1.00 0.00 O ATOM 445 CB TYR A 32 -12.777 -4.267 8.633 1.00 0.00 C ATOM 446 CG TYR A 32 -12.590 -3.701 10.024 1.00 0.00 C ATOM 447 CD1 TYR A 32 -12.128 -4.499 11.065 1.00 0.00 C ATOM 448 CD2 TYR A 32 -12.874 -2.369 10.297 1.00 0.00 C ATOM 449 CE1 TYR A 32 -11.957 -3.986 12.335 1.00 0.00 C ATOM 450 CE2 TYR A 32 -12.704 -1.849 11.567 1.00 0.00 C ATOM 451 CZ TYR A 32 -12.245 -2.661 12.582 1.00 0.00 C ATOM 452 OH TYR A 32 -12.073 -2.148 13.849 1.00 0.00 O ATOM 0 H TYR A 32 -10.723 -6.770 8.634 1.00 0.00 H new ATOM 0 HA TYR A 32 -12.655 -6.172 9.569 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -12.076 -3.780 7.955 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -13.780 -4.024 8.283 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.899 -5.538 10.877 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -13.233 -1.729 9.505 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.599 -4.621 13.132 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.930 -0.811 11.763 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.320 -1.200 13.854 1.00 0.00 H new ATOM 462 N ASP A 33 -13.739 -5.981 6.436 1.00 0.00 N ATOM 463 CA ASP A 33 -14.572 -6.632 5.431 1.00 0.00 C ATOM 464 C ASP A 33 -13.964 -6.441 4.047 1.00 0.00 C ATOM 465 O ASP A 33 -14.647 -6.475 3.026 1.00 0.00 O ATOM 466 CB ASP A 33 -16.004 -6.094 5.469 1.00 0.00 C ATOM 467 CG ASP A 33 -17.007 -7.087 4.914 1.00 0.00 C ATOM 468 OD1 ASP A 33 -17.128 -8.198 5.475 1.00 0.00 O ATOM 469 OD2 ASP A 33 -17.680 -6.762 3.915 1.00 0.00 O ATOM 0 H ASP A 33 -13.238 -5.160 6.096 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.612 -7.698 5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -16.270 -5.848 6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -16.057 -5.168 4.896 1.00 0.00 H new ATOM 474 N ALA A 34 -12.658 -6.241 4.041 1.00 0.00 N ATOM 475 CA ALA A 34 -11.902 -6.033 2.807 1.00 0.00 C ATOM 476 C ALA A 34 -11.637 -7.349 2.091 1.00 0.00 C ATOM 477 O ALA A 34 -11.337 -7.365 0.898 1.00 0.00 O ATOM 478 CB ALA A 34 -10.591 -5.314 3.090 1.00 0.00 C ATOM 0 H ALA A 34 -12.088 -6.217 4.886 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.509 -5.407 2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.046 -5.170 2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -10.798 -4.344 3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.988 -5.912 3.774 1.00 0.00 H new ATOM 484 N SER A 35 -11.752 -8.454 2.820 1.00 0.00 N ATOM 485 CA SER A 35 -11.524 -9.773 2.249 1.00 0.00 C ATOM 486 C SER A 35 -12.589 -10.088 1.203 1.00 0.00 C ATOM 487 O SER A 35 -12.410 -10.951 0.340 1.00 0.00 O ATOM 488 CB SER A 35 -11.550 -10.827 3.348 1.00 0.00 C ATOM 489 OG SER A 35 -12.439 -10.452 4.384 1.00 0.00 O ATOM 0 H SER A 35 -12.002 -8.460 3.809 1.00 0.00 H new ATOM 0 HA SER A 35 -10.546 -9.782 1.768 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.855 -11.787 2.931 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.547 -10.960 3.754 1.00 0.00 H new ATOM 0 HG SER A 35 -11.935 -10.308 5.212 1.00 0.00 H new ATOM 495 N SER A 36 -13.683 -9.337 1.263 1.00 0.00 N ATOM 496 CA SER A 36 -14.773 -9.464 0.314 1.00 0.00 C ATOM 497 C SER A 36 -14.435 -8.747 -0.993 1.00 0.00 C ATOM 498 O SER A 36 -15.201 -7.911 -1.477 1.00 0.00 O ATOM 499 CB SER A 36 -16.044 -8.882 0.930 1.00 0.00 C ATOM 500 OG SER A 36 -16.665 -9.820 1.795 1.00 0.00 O ATOM 0 H SER A 36 -13.835 -8.622 1.975 1.00 0.00 H new ATOM 0 HA SER A 36 -14.931 -10.518 0.087 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.802 -7.975 1.485 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.738 -8.596 0.139 1.00 0.00 H new ATOM 0 HG SER A 36 -17.475 -9.424 2.179 1.00 0.00 H new ATOM 506 N TYR A 37 -13.280 -9.076 -1.551 1.00 0.00 N ATOM 507 CA TYR A 37 -12.829 -8.468 -2.789 1.00 0.00 C ATOM 508 C TYR A 37 -12.850 -9.478 -3.933 1.00 0.00 C ATOM 509 O TYR A 37 -13.621 -10.436 -3.896 1.00 0.00 O ATOM 510 CB TYR A 37 -11.432 -7.848 -2.616 1.00 0.00 C ATOM 511 CG TYR A 37 -10.345 -8.770 -2.078 1.00 0.00 C ATOM 512 CD1 TYR A 37 -10.402 -10.153 -2.236 1.00 0.00 C ATOM 513 CD2 TYR A 37 -9.236 -8.235 -1.432 1.00 0.00 C ATOM 514 CE1 TYR A 37 -9.389 -10.969 -1.771 1.00 0.00 C ATOM 515 CE2 TYR A 37 -8.224 -9.047 -0.959 1.00 0.00 C ATOM 516 CZ TYR A 37 -8.304 -10.411 -1.131 1.00 0.00 C ATOM 517 OH TYR A 37 -7.290 -11.220 -0.674 1.00 0.00 O ATOM 0 H TYR A 37 -12.636 -9.765 -1.162 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.520 -7.665 -3.045 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -11.107 -7.463 -3.583 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -11.518 -6.993 -1.945 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -11.254 -10.595 -2.731 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.165 -7.166 -1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -9.447 -12.039 -1.908 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -7.372 -8.614 -0.456 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.221 -12.013 -1.246 1.00 0.00 H new ATOM 527 N ALA A 38 -11.999 -9.243 -4.936 1.00 0.00 N ATOM 528 CA ALA A 38 -11.879 -10.100 -6.120 1.00 0.00 C ATOM 529 C ALA A 38 -13.074 -9.924 -7.046 1.00 0.00 C ATOM 530 O ALA A 38 -14.226 -10.035 -6.630 1.00 0.00 O ATOM 531 CB ALA A 38 -11.679 -11.558 -5.735 1.00 0.00 C ATOM 0 H ALA A 38 -11.366 -8.443 -4.949 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.989 -9.787 -6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.594 -12.164 -6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.768 -11.657 -5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.531 -11.899 -5.147 1.00 0.00 H new ATOM 537 N GLY A 39 -12.786 -9.473 -8.256 1.00 0.00 N ATOM 538 CA GLY A 39 -13.834 -9.085 -9.173 1.00 0.00 C ATOM 539 C GLY A 39 -13.935 -7.581 -9.255 1.00 0.00 C ATOM 540 O GLY A 39 -14.379 -7.023 -10.258 1.00 0.00 O ATOM 0 H GLY A 39 -11.839 -9.369 -8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.631 -9.496 -10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.786 -9.502 -8.844 1.00 0.00 H new ATOM 544 N LYS A 40 -13.450 -6.927 -8.209 1.00 0.00 N ATOM 545 CA LYS A 40 -13.407 -5.477 -8.153 1.00 0.00 C ATOM 546 C LYS A 40 -11.965 -4.992 -8.055 1.00 0.00 C ATOM 547 O LYS A 40 -11.112 -5.666 -7.475 1.00 0.00 O ATOM 548 CB LYS A 40 -14.199 -4.959 -6.949 1.00 0.00 C ATOM 549 CG LYS A 40 -15.496 -5.703 -6.683 1.00 0.00 C ATOM 550 CD LYS A 40 -16.203 -5.143 -5.459 1.00 0.00 C ATOM 551 CE LYS A 40 -17.671 -5.531 -5.437 1.00 0.00 C ATOM 552 NZ LYS A 40 -18.387 -5.082 -6.660 1.00 0.00 N ATOM 0 H LYS A 40 -13.077 -7.387 -7.379 1.00 0.00 H new ATOM 0 HA LYS A 40 -13.857 -5.091 -9.068 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.570 -5.022 -6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -14.425 -3.904 -7.105 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.149 -5.625 -7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -15.288 -6.763 -6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.715 -5.510 -4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -16.113 -4.057 -5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.758 -6.614 -5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.147 -5.096 -4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.365 -4.826 -6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.903 -4.254 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.395 -5.851 -7.360 1.00 0.00 H new ATOM 566 N THR A 41 -11.716 -3.803 -8.575 1.00 0.00 N ATOM 567 CA THR A 41 -10.403 -3.185 -8.505 1.00 0.00 C ATOM 568 C THR A 41 -10.558 -1.684 -8.279 1.00 0.00 C ATOM 569 O THR A 41 -11.558 -1.103 -8.694 1.00 0.00 O ATOM 570 CB THR A 41 -9.608 -3.432 -9.800 1.00 0.00 C ATOM 571 OG1 THR A 41 -10.188 -4.525 -10.530 1.00 0.00 O ATOM 572 CG2 THR A 41 -8.152 -3.737 -9.491 1.00 0.00 C ATOM 0 H THR A 41 -12.416 -3.239 -9.057 1.00 0.00 H new ATOM 0 HA THR A 41 -9.855 -3.631 -7.675 1.00 0.00 H new ATOM 0 HB THR A 41 -9.651 -2.527 -10.406 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.678 -4.676 -11.353 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.611 -3.908 -10.422 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.708 -2.894 -8.962 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.092 -4.629 -8.867 1.00 0.00 H new ATOM 580 N CYS A 42 -9.608 -1.062 -7.592 1.00 0.00 N ATOM 581 CA CYS A 42 -9.709 0.364 -7.302 1.00 0.00 C ATOM 582 C CYS A 42 -8.339 1.007 -7.142 1.00 0.00 C ATOM 583 O CYS A 42 -7.619 0.735 -6.183 1.00 0.00 O ATOM 584 CB CYS A 42 -10.536 0.604 -6.037 1.00 0.00 C ATOM 585 SG CYS A 42 -10.556 2.345 -5.487 1.00 0.00 S ATOM 0 H CYS A 42 -8.769 -1.515 -7.229 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.208 0.827 -8.154 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -11.560 0.278 -6.217 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -10.141 -0.017 -5.233 1.00 0.00 H new ATOM 590 N THR A 43 -8.029 1.935 -8.031 1.00 0.00 N ATOM 591 CA THR A 43 -6.804 2.704 -7.939 1.00 0.00 C ATOM 592 C THR A 43 -6.924 3.770 -6.850 1.00 0.00 C ATOM 593 O THR A 43 -7.805 4.629 -6.912 1.00 0.00 O ATOM 594 CB THR A 43 -6.491 3.382 -9.283 1.00 0.00 C ATOM 595 OG1 THR A 43 -6.754 2.475 -10.365 1.00 0.00 O ATOM 596 CG2 THR A 43 -5.047 3.840 -9.341 1.00 0.00 C ATOM 0 H THR A 43 -8.616 2.174 -8.830 1.00 0.00 H new ATOM 0 HA THR A 43 -5.994 2.020 -7.686 1.00 0.00 H new ATOM 0 HB THR A 43 -7.134 4.257 -9.377 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.353 1.603 -10.166 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.855 4.316 -10.303 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.859 4.554 -8.539 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.388 2.980 -9.223 1.00 0.00 H new ATOM 604 N LEU A 44 -6.037 3.723 -5.865 1.00 0.00 N ATOM 605 CA LEU A 44 -6.052 4.702 -4.790 1.00 0.00 C ATOM 606 C LEU A 44 -4.911 5.689 -4.962 1.00 0.00 C ATOM 607 O LEU A 44 -3.749 5.297 -5.074 1.00 0.00 O ATOM 608 CB LEU A 44 -5.950 4.021 -3.420 1.00 0.00 C ATOM 609 CG LEU A 44 -7.007 2.951 -3.142 1.00 0.00 C ATOM 610 CD1 LEU A 44 -6.514 1.987 -2.078 1.00 0.00 C ATOM 611 CD2 LEU A 44 -8.318 3.591 -2.714 1.00 0.00 C ATOM 0 H LEU A 44 -5.302 3.020 -5.789 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.000 5.237 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.964 3.566 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.019 4.786 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.183 2.393 -4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.277 1.231 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.600 1.503 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.311 2.534 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.057 2.813 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.159 4.174 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.679 4.246 -3.507 1.00 0.00 H new ATOM 623 N ARG A 45 -5.237 6.967 -4.902 1.00 0.00 N ATOM 624 CA ARG A 45 -4.233 8.012 -4.963 1.00 0.00 C ATOM 625 C ARG A 45 -3.709 8.280 -3.562 1.00 0.00 C ATOM 626 O ARG A 45 -4.341 8.989 -2.777 1.00 0.00 O ATOM 627 CB ARG A 45 -4.819 9.289 -5.568 1.00 0.00 C ATOM 628 CG ARG A 45 -3.799 10.140 -6.301 1.00 0.00 C ATOM 629 CD ARG A 45 -4.332 11.537 -6.560 1.00 0.00 C ATOM 630 NE ARG A 45 -3.673 12.176 -7.695 1.00 0.00 N ATOM 631 CZ ARG A 45 -2.931 13.279 -7.604 1.00 0.00 C ATOM 632 NH1 ARG A 45 -2.788 13.889 -6.433 1.00 0.00 N ATOM 633 NH2 ARG A 45 -2.351 13.780 -8.684 1.00 0.00 N ATOM 0 H ARG A 45 -6.194 7.307 -4.811 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.412 7.685 -5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.618 9.020 -6.259 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.271 9.883 -4.773 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.883 10.201 -5.713 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.539 9.666 -7.248 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.405 11.486 -6.746 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.192 12.149 -5.669 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.788 11.752 -8.615 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.246 13.513 -5.603 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.220 14.733 -6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.472 13.321 -9.587 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.783 14.624 -8.613 1.00 0.00 H new ATOM 647 N ILE A 46 -2.624 7.609 -3.215 1.00 0.00 N ATOM 648 CA ILE A 46 -2.095 7.672 -1.861 1.00 0.00 C ATOM 649 C ILE A 46 -0.938 8.659 -1.764 1.00 0.00 C ATOM 650 O ILE A 46 0.154 8.414 -2.281 1.00 0.00 O ATOM 651 CB ILE A 46 -1.622 6.289 -1.349 1.00 0.00 C ATOM 652 CG1 ILE A 46 -2.136 5.159 -2.247 1.00 0.00 C ATOM 653 CG2 ILE A 46 -2.089 6.076 0.082 1.00 0.00 C ATOM 654 CD1 ILE A 46 -1.597 3.790 -1.880 1.00 0.00 C ATOM 0 H ILE A 46 -2.092 7.015 -3.850 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.918 8.011 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.533 6.271 -1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.225 5.135 -2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.868 5.379 -3.280 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.752 5.101 0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.673 6.856 0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.178 6.119 0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.006 3.043 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.510 3.794 -1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.887 3.547 -0.858 1.00 0.00 H new ATOM 666 N LYS A 47 -1.160 9.731 -1.025 1.00 0.00 N ATOM 667 CA LYS A 47 -0.123 10.708 -0.756 1.00 0.00 C ATOM 668 C LYS A 47 0.434 10.473 0.642 1.00 0.00 C ATOM 669 O LYS A 47 -0.210 10.800 1.644 1.00 0.00 O ATOM 670 CB LYS A 47 -0.679 12.130 -0.877 1.00 0.00 C ATOM 671 CG LYS A 47 0.162 13.044 -1.753 1.00 0.00 C ATOM 672 CD LYS A 47 -0.303 14.487 -1.658 1.00 0.00 C ATOM 673 CE LYS A 47 -1.252 14.845 -2.790 1.00 0.00 C ATOM 674 NZ LYS A 47 -1.841 16.200 -2.619 1.00 0.00 N ATOM 0 H LYS A 47 -2.060 9.947 -0.597 1.00 0.00 H new ATOM 0 HA LYS A 47 0.676 10.596 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.690 12.082 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.756 12.566 0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.208 12.977 -1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.106 12.710 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.800 14.647 -0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.561 15.151 -1.683 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.717 14.800 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.052 14.106 -2.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.481 16.403 -3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.373 16.237 -1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.080 16.909 -2.598 1.00 0.00 H new ATOM 688 N LEU A 48 1.585 9.829 0.707 1.00 0.00 N ATOM 689 CA LEU A 48 2.182 9.464 1.979 1.00 0.00 C ATOM 690 C LEU A 48 3.155 10.531 2.448 1.00 0.00 C ATOM 691 O LEU A 48 4.102 10.875 1.741 1.00 0.00 O ATOM 692 CB LEU A 48 2.914 8.126 1.863 1.00 0.00 C ATOM 693 CG LEU A 48 2.026 6.882 1.903 1.00 0.00 C ATOM 694 CD1 LEU A 48 2.815 5.656 1.471 1.00 0.00 C ATOM 695 CD2 LEU A 48 1.455 6.678 3.297 1.00 0.00 C ATOM 0 H LEU A 48 2.127 9.547 -0.110 1.00 0.00 H new ATOM 0 HA LEU A 48 1.378 9.374 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.476 8.119 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.640 8.058 2.673 1.00 0.00 H new ATOM 0 HG LEU A 48 1.198 7.027 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.170 4.778 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.181 5.799 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.660 5.511 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.826 5.788 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.270 6.553 4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.859 7.547 3.577 1.00 0.00 H new ATOM 707 N ALA A 49 2.998 10.948 3.691 1.00 0.00 N ATOM 708 CA ALA A 49 3.956 11.849 4.299 1.00 0.00 C ATOM 709 C ALA A 49 5.203 11.065 4.682 1.00 0.00 C ATOM 710 O ALA A 49 5.103 9.911 5.104 1.00 0.00 O ATOM 711 CB ALA A 49 3.354 12.541 5.513 1.00 0.00 C ATOM 0 H ALA A 49 2.221 10.679 4.295 1.00 0.00 H new ATOM 0 HA ALA A 49 4.226 12.625 3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.092 13.212 5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.478 13.114 5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.060 11.793 6.249 1.00 0.00 H new ATOM 717 N PRO A 50 6.395 11.639 4.452 1.00 0.00 N ATOM 718 CA PRO A 50 7.679 10.956 4.678 1.00 0.00 C ATOM 719 C PRO A 50 7.840 10.423 6.105 1.00 0.00 C ATOM 720 O PRO A 50 8.666 9.548 6.357 1.00 0.00 O ATOM 721 CB PRO A 50 8.730 12.038 4.389 1.00 0.00 C ATOM 722 CG PRO A 50 7.978 13.324 4.316 1.00 0.00 C ATOM 723 CD PRO A 50 6.597 12.967 3.857 1.00 0.00 C ATOM 0 HA PRO A 50 7.768 10.074 4.044 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.485 12.070 5.175 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.252 11.836 3.454 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.951 13.817 5.288 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.454 14.016 3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.855 13.685 4.207 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.526 12.939 2.770 1.00 0.00 H new ATOM 731 N ASP A 51 7.030 10.932 7.027 1.00 0.00 N ATOM 732 CA ASP A 51 7.073 10.482 8.417 1.00 0.00 C ATOM 733 C ASP A 51 6.290 9.180 8.601 1.00 0.00 C ATOM 734 O ASP A 51 6.251 8.617 9.696 1.00 0.00 O ATOM 735 CB ASP A 51 6.518 11.562 9.347 1.00 0.00 C ATOM 736 CG ASP A 51 7.176 11.542 10.714 1.00 0.00 C ATOM 737 OD1 ASP A 51 8.390 11.258 10.792 1.00 0.00 O ATOM 738 OD2 ASP A 51 6.485 11.810 11.716 1.00 0.00 O ATOM 0 H ASP A 51 6.336 11.656 6.839 1.00 0.00 H new ATOM 0 HA ASP A 51 8.115 10.294 8.674 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.664 12.541 8.891 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.443 11.421 9.462 1.00 0.00 H new ATOM 743 N GLY A 52 5.708 8.683 7.517 1.00 0.00 N ATOM 744 CA GLY A 52 4.985 7.427 7.567 1.00 0.00 C ATOM 745 C GLY A 52 3.546 7.602 8.004 1.00 0.00 C ATOM 746 O GLY A 52 3.134 7.081 9.042 1.00 0.00 O ATOM 0 H GLY A 52 5.724 9.130 6.600 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.008 6.959 6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.490 6.748 8.254 1.00 0.00 H new ATOM 750 N MET A 53 2.771 8.315 7.197 1.00 0.00 N ATOM 751 CA MET A 53 1.358 8.533 7.482 1.00 0.00 C ATOM 752 C MET A 53 0.620 8.924 6.207 1.00 0.00 C ATOM 753 O MET A 53 1.103 9.751 5.431 1.00 0.00 O ATOM 754 CB MET A 53 1.168 9.618 8.553 1.00 0.00 C ATOM 755 CG MET A 53 2.065 10.834 8.377 1.00 0.00 C ATOM 756 SD MET A 53 1.260 12.372 8.873 1.00 0.00 S ATOM 757 CE MET A 53 1.131 12.127 10.646 1.00 0.00 C ATOM 0 H MET A 53 3.098 8.754 6.336 1.00 0.00 H new ATOM 0 HA MET A 53 0.944 7.601 7.866 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.128 9.944 8.543 1.00 0.00 H new ATOM 0 HB3 MET A 53 1.356 9.181 9.534 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.973 10.698 8.964 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.369 10.908 7.333 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.653 12.995 11.099 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.535 11.237 10.848 1.00 0.00 H new ATOM 0 HE3 MET A 53 2.127 12.000 11.069 1.00 0.00 H new ATOM 767 N LEU A 54 -0.545 8.330 5.995 1.00 0.00 N ATOM 768 CA LEU A 54 -1.344 8.624 4.814 1.00 0.00 C ATOM 769 C LEU A 54 -2.314 9.755 5.110 1.00 0.00 C ATOM 770 O LEU A 54 -3.445 9.528 5.537 1.00 0.00 O ATOM 771 CB LEU A 54 -2.110 7.381 4.339 1.00 0.00 C ATOM 772 CG LEU A 54 -2.130 6.202 5.316 1.00 0.00 C ATOM 773 CD1 LEU A 54 -3.528 5.998 5.877 1.00 0.00 C ATOM 774 CD2 LEU A 54 -1.643 4.936 4.631 1.00 0.00 C ATOM 0 H LEU A 54 -0.958 7.642 6.625 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.669 8.930 4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.139 7.670 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.672 7.044 3.399 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.457 6.429 6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.523 5.156 6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.844 6.899 6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.221 5.793 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.664 4.108 5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.292 4.707 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.623 5.084 4.275 1.00 0.00 H new ATOM 786 N LEU A 55 -1.853 10.978 4.911 1.00 0.00 N ATOM 787 CA LEU A 55 -2.668 12.150 5.183 1.00 0.00 C ATOM 788 C LEU A 55 -3.695 12.351 4.075 1.00 0.00 C ATOM 789 O LEU A 55 -4.774 12.902 4.303 1.00 0.00 O ATOM 790 CB LEU A 55 -1.780 13.393 5.318 1.00 0.00 C ATOM 791 CG LEU A 55 -1.266 13.985 4.001 1.00 0.00 C ATOM 792 CD1 LEU A 55 -1.438 15.496 3.990 1.00 0.00 C ATOM 793 CD2 LEU A 55 0.193 13.613 3.780 1.00 0.00 C ATOM 0 H LEU A 55 -0.917 11.186 4.562 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.198 11.995 6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.341 14.163 5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.922 13.139 5.941 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.855 13.566 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.067 15.898 3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.494 15.743 4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.876 15.932 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.540 14.042 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.796 14.002 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.290 12.528 3.741 1.00 0.00 H new ATOM 805 N ASP A 56 -3.341 11.918 2.873 1.00 0.00 N ATOM 806 CA ASP A 56 -4.209 12.070 1.717 1.00 0.00 C ATOM 807 C ASP A 56 -4.343 10.748 0.978 1.00 0.00 C ATOM 808 O ASP A 56 -3.539 10.424 0.107 1.00 0.00 O ATOM 809 CB ASP A 56 -3.657 13.144 0.778 1.00 0.00 C ATOM 810 CG ASP A 56 -4.668 13.590 -0.262 1.00 0.00 C ATOM 811 OD1 ASP A 56 -5.771 14.029 0.121 1.00 0.00 O ATOM 812 OD2 ASP A 56 -4.352 13.536 -1.467 1.00 0.00 O ATOM 0 H ASP A 56 -2.453 11.456 2.674 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.196 12.378 2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.342 14.007 1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.770 12.759 0.275 1.00 0.00 H new ATOM 817 N ILE A 57 -5.365 9.988 1.330 1.00 0.00 N ATOM 818 CA ILE A 57 -5.618 8.707 0.692 1.00 0.00 C ATOM 819 C ILE A 57 -7.035 8.690 0.132 1.00 0.00 C ATOM 820 O ILE A 57 -8.014 8.729 0.882 1.00 0.00 O ATOM 821 CB ILE A 57 -5.407 7.522 1.671 1.00 0.00 C ATOM 822 CG1 ILE A 57 -5.990 6.228 1.092 1.00 0.00 C ATOM 823 CG2 ILE A 57 -6.013 7.826 3.035 1.00 0.00 C ATOM 824 CD1 ILE A 57 -5.333 4.975 1.629 1.00 0.00 C ATOM 0 H ILE A 57 -6.036 10.237 2.057 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.901 8.584 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.334 7.382 1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.057 6.191 1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.887 6.246 0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.851 6.979 3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.539 8.714 3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.083 8.003 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.796 4.099 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.270 4.990 1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.459 4.933 2.711 1.00 0.00 H new ATOM 836 N LYS A 58 -7.140 8.781 -1.183 1.00 0.00 N ATOM 837 CA LYS A 58 -8.437 8.924 -1.824 1.00 0.00 C ATOM 838 C LYS A 58 -8.574 7.990 -3.020 1.00 0.00 C ATOM 839 O LYS A 58 -7.626 7.796 -3.785 1.00 0.00 O ATOM 840 CB LYS A 58 -8.654 10.375 -2.267 1.00 0.00 C ATOM 841 CG LYS A 58 -7.408 11.040 -2.827 1.00 0.00 C ATOM 842 CD LYS A 58 -7.539 11.298 -4.317 1.00 0.00 C ATOM 843 CE LYS A 58 -7.540 12.784 -4.625 1.00 0.00 C ATOM 844 NZ LYS A 58 -8.919 13.316 -4.799 1.00 0.00 N ATOM 0 H LYS A 58 -6.348 8.759 -1.825 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.199 8.652 -1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.439 10.400 -3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.012 10.955 -1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.232 11.982 -2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.541 10.406 -2.641 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.716 10.816 -4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.461 10.848 -4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.043 13.322 -3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.964 12.967 -5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.875 14.334 -5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.385 12.821 -5.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.462 13.165 -3.925 1.00 0.00 H new ATOM 858 N PRO A 59 -9.777 7.432 -3.219 1.00 0.00 N ATOM 859 CA PRO A 59 -10.073 6.559 -4.353 1.00 0.00 C ATOM 860 C PRO A 59 -10.099 7.335 -5.663 1.00 0.00 C ATOM 861 O PRO A 59 -10.728 8.392 -5.753 1.00 0.00 O ATOM 862 CB PRO A 59 -11.473 6.005 -4.046 1.00 0.00 C ATOM 863 CG PRO A 59 -11.776 6.414 -2.641 1.00 0.00 C ATOM 864 CD PRO A 59 -10.964 7.647 -2.380 1.00 0.00 C ATOM 0 HA PRO A 59 -9.318 5.782 -4.473 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.213 6.407 -4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.495 4.920 -4.151 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.840 6.615 -2.515 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.516 5.621 -1.940 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.501 8.553 -2.661 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.703 7.745 -1.326 1.00 0.00 H new ATOM 872 N GLU A 60 -9.423 6.817 -6.674 1.00 0.00 N ATOM 873 CA GLU A 60 -9.389 7.471 -7.969 1.00 0.00 C ATOM 874 C GLU A 60 -10.391 6.825 -8.917 1.00 0.00 C ATOM 875 O GLU A 60 -11.472 7.371 -9.154 1.00 0.00 O ATOM 876 CB GLU A 60 -7.981 7.417 -8.567 1.00 0.00 C ATOM 877 CG GLU A 60 -7.172 8.682 -8.333 1.00 0.00 C ATOM 878 CD GLU A 60 -7.564 9.816 -9.260 1.00 0.00 C ATOM 879 OE1 GLU A 60 -8.709 9.823 -9.758 1.00 0.00 O ATOM 880 OE2 GLU A 60 -6.726 10.710 -9.498 1.00 0.00 O ATOM 0 H GLU A 60 -8.892 5.948 -6.623 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.663 8.517 -7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.446 6.569 -8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.057 7.238 -9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.302 9.004 -7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.113 8.460 -8.467 1.00 0.00 H new ATOM 887 N GLY A 61 -10.042 5.656 -9.440 1.00 0.00 N ATOM 888 CA GLY A 61 -10.936 4.956 -10.339 1.00 0.00 C ATOM 889 C GLY A 61 -11.075 3.491 -9.991 1.00 0.00 C ATOM 890 O GLY A 61 -10.121 2.866 -9.531 1.00 0.00 O ATOM 0 H GLY A 61 -9.157 5.182 -9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.918 5.428 -10.310 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.567 5.050 -11.360 1.00 0.00 H new ATOM 894 N GLY A 62 -12.264 2.949 -10.208 1.00 0.00 N ATOM 895 CA GLY A 62 -12.515 1.553 -9.911 1.00 0.00 C ATOM 896 C GLY A 62 -13.837 1.348 -9.202 1.00 0.00 C ATOM 897 O GLY A 62 -14.750 2.168 -9.327 1.00 0.00 O ATOM 0 H GLY A 62 -13.065 3.455 -10.587 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.509 0.979 -10.838 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.708 1.164 -9.290 1.00 0.00 H new ATOM 901 N ASP A 63 -13.934 0.268 -8.438 1.00 0.00 N ATOM 902 CA ASP A 63 -15.145 -0.034 -7.681 1.00 0.00 C ATOM 903 C ASP A 63 -15.092 0.624 -6.313 1.00 0.00 C ATOM 904 O ASP A 63 -14.192 0.339 -5.525 1.00 0.00 O ATOM 905 CB ASP A 63 -15.320 -1.545 -7.499 1.00 0.00 C ATOM 906 CG ASP A 63 -16.750 -1.934 -7.166 1.00 0.00 C ATOM 907 OD1 ASP A 63 -17.324 -1.367 -6.212 1.00 0.00 O ATOM 908 OD2 ASP A 63 -17.305 -2.821 -7.855 1.00 0.00 O ATOM 0 H ASP A 63 -13.186 -0.417 -8.325 1.00 0.00 H new ATOM 0 HA ASP A 63 -15.991 0.357 -8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.012 -2.055 -8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.659 -1.890 -6.703 1.00 0.00 H new ATOM 913 N PRO A 64 -16.062 1.499 -6.010 1.00 0.00 N ATOM 914 CA PRO A 64 -16.136 2.195 -4.720 1.00 0.00 C ATOM 915 C PRO A 64 -16.162 1.237 -3.529 1.00 0.00 C ATOM 916 O PRO A 64 -15.670 1.568 -2.453 1.00 0.00 O ATOM 917 CB PRO A 64 -17.448 2.982 -4.808 1.00 0.00 C ATOM 918 CG PRO A 64 -17.699 3.133 -6.266 1.00 0.00 C ATOM 919 CD PRO A 64 -17.175 1.877 -6.899 1.00 0.00 C ATOM 0 HA PRO A 64 -15.259 2.821 -4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.263 2.449 -4.319 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.362 3.952 -4.318 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -18.762 3.260 -6.469 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.191 4.013 -6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -17.937 1.099 -6.945 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.835 2.051 -7.920 1.00 0.00 H new ATOM 927 N ALA A 65 -16.665 0.024 -3.743 1.00 0.00 N ATOM 928 CA ALA A 65 -16.663 -0.992 -2.696 1.00 0.00 C ATOM 929 C ALA A 65 -15.238 -1.462 -2.412 1.00 0.00 C ATOM 930 O ALA A 65 -14.819 -1.537 -1.256 1.00 0.00 O ATOM 931 CB ALA A 65 -17.548 -2.166 -3.086 1.00 0.00 C ATOM 0 H ALA A 65 -17.077 -0.277 -4.626 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.067 -0.549 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.533 -2.913 -2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.570 -1.817 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.177 -2.611 -4.009 1.00 0.00 H new ATOM 937 N LEU A 66 -14.472 -1.666 -3.480 1.00 0.00 N ATOM 938 CA LEU A 66 -13.056 -2.007 -3.368 1.00 0.00 C ATOM 939 C LEU A 66 -12.308 -0.876 -2.669 1.00 0.00 C ATOM 940 O LEU A 66 -11.478 -1.113 -1.791 1.00 0.00 O ATOM 941 CB LEU A 66 -12.465 -2.249 -4.769 1.00 0.00 C ATOM 942 CG LEU A 66 -11.430 -3.381 -4.905 1.00 0.00 C ATOM 943 CD1 LEU A 66 -10.074 -2.958 -4.374 1.00 0.00 C ATOM 944 CD2 LEU A 66 -11.886 -4.644 -4.201 1.00 0.00 C ATOM 0 H LEU A 66 -14.811 -1.601 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.950 -2.918 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.288 -2.459 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.000 -1.322 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.337 -3.595 -5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.367 -3.780 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.717 -2.094 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.162 -2.695 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.130 -5.420 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.031 -4.437 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.826 -4.984 -4.636 1.00 0.00 H new ATOM 956 N CYS A 67 -12.626 0.352 -3.055 1.00 0.00 N ATOM 957 CA CYS A 67 -12.005 1.529 -2.464 1.00 0.00 C ATOM 958 C CYS A 67 -12.325 1.643 -0.978 1.00 0.00 C ATOM 959 O CYS A 67 -11.424 1.793 -0.159 1.00 0.00 O ATOM 960 CB CYS A 67 -12.472 2.798 -3.181 1.00 0.00 C ATOM 961 SG CYS A 67 -12.494 2.678 -4.999 1.00 0.00 S ATOM 0 H CYS A 67 -13.314 0.559 -3.779 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.927 1.420 -2.579 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.475 3.047 -2.834 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -11.821 3.623 -2.892 1.00 0.00 H new ATOM 966 N GLN A 68 -13.612 1.665 -0.647 1.00 0.00 N ATOM 967 CA GLN A 68 -14.051 1.882 0.728 1.00 0.00 C ATOM 968 C GLN A 68 -13.534 0.794 1.660 1.00 0.00 C ATOM 969 O GLN A 68 -13.134 1.080 2.794 1.00 0.00 O ATOM 970 CB GLN A 68 -15.579 1.949 0.794 1.00 0.00 C ATOM 971 CG GLN A 68 -16.122 3.366 0.893 1.00 0.00 C ATOM 972 CD GLN A 68 -15.847 4.194 -0.349 1.00 0.00 C ATOM 973 OE1 GLN A 68 -14.705 4.548 -0.638 1.00 0.00 O ATOM 974 NE2 GLN A 68 -16.896 4.509 -1.090 1.00 0.00 N ATOM 0 H GLN A 68 -14.372 1.535 -1.315 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.636 2.833 1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -15.994 1.471 -0.093 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -15.923 1.376 1.655 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.198 3.326 1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -15.679 3.860 1.758 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.827 4.196 -0.815 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.774 5.065 -1.936 1.00 0.00 H new ATOM 983 N ALA A 69 -13.507 -0.439 1.174 1.00 0.00 N ATOM 984 CA ALA A 69 -12.991 -1.549 1.960 1.00 0.00 C ATOM 985 C ALA A 69 -11.501 -1.366 2.214 1.00 0.00 C ATOM 986 O ALA A 69 -11.017 -1.567 3.329 1.00 0.00 O ATOM 987 CB ALA A 69 -13.256 -2.871 1.257 1.00 0.00 C ATOM 0 H ALA A 69 -13.835 -0.695 0.243 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.507 -1.565 2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.863 -3.689 1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -14.330 -3.003 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.766 -2.870 0.283 1.00 0.00 H new ATOM 993 N ALA A 70 -10.786 -0.931 1.182 1.00 0.00 N ATOM 994 CA ALA A 70 -9.360 -0.666 1.295 1.00 0.00 C ATOM 995 C ALA A 70 -9.095 0.518 2.220 1.00 0.00 C ATOM 996 O ALA A 70 -8.143 0.501 2.992 1.00 0.00 O ATOM 997 CB ALA A 70 -8.759 -0.408 -0.077 1.00 0.00 C ATOM 0 H ALA A 70 -11.174 -0.755 0.255 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.886 -1.547 1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.692 -0.211 0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.908 -1.283 -0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.245 0.455 -0.531 1.00 0.00 H new ATOM 1003 N LEU A 71 -9.943 1.540 2.133 1.00 0.00 N ATOM 1004 CA LEU A 71 -9.800 2.735 2.962 1.00 0.00 C ATOM 1005 C LEU A 71 -9.808 2.372 4.445 1.00 0.00 C ATOM 1006 O LEU A 71 -8.922 2.776 5.201 1.00 0.00 O ATOM 1007 CB LEU A 71 -10.933 3.731 2.682 1.00 0.00 C ATOM 1008 CG LEU A 71 -10.927 4.386 1.296 1.00 0.00 C ATOM 1009 CD1 LEU A 71 -11.870 5.581 1.268 1.00 0.00 C ATOM 1010 CD2 LEU A 71 -9.520 4.807 0.906 1.00 0.00 C ATOM 0 H LEU A 71 -10.739 1.565 1.495 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.845 3.196 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.884 3.215 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.891 4.519 3.434 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.277 3.653 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.854 6.034 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.883 5.251 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.550 6.315 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.539 5.269 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.139 5.523 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.871 3.931 0.884 1.00 0.00 H new ATOM 1022 N ALA A 72 -10.820 1.611 4.848 1.00 0.00 N ATOM 1023 CA ALA A 72 -10.964 1.194 6.237 1.00 0.00 C ATOM 1024 C ALA A 72 -9.812 0.291 6.659 1.00 0.00 C ATOM 1025 O ALA A 72 -9.261 0.439 7.748 1.00 0.00 O ATOM 1026 CB ALA A 72 -12.295 0.484 6.440 1.00 0.00 C ATOM 0 H ALA A 72 -11.555 1.270 4.229 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.942 2.086 6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.389 0.178 7.482 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.111 1.161 6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.340 -0.396 5.798 1.00 0.00 H new ATOM 1032 N ALA A 73 -9.465 -0.649 5.791 1.00 0.00 N ATOM 1033 CA ALA A 73 -8.394 -1.594 6.073 1.00 0.00 C ATOM 1034 C ALA A 73 -7.045 -0.890 6.189 1.00 0.00 C ATOM 1035 O ALA A 73 -6.236 -1.231 7.046 1.00 0.00 O ATOM 1036 CB ALA A 73 -8.343 -2.665 4.996 1.00 0.00 C ATOM 0 H ALA A 73 -9.911 -0.778 4.883 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.605 -2.065 7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.538 -3.366 5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.293 -3.200 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.162 -2.199 4.028 1.00 0.00 H new ATOM 1042 N ALA A 74 -6.805 0.083 5.318 1.00 0.00 N ATOM 1043 CA ALA A 74 -5.546 0.822 5.315 1.00 0.00 C ATOM 1044 C ALA A 74 -5.386 1.648 6.586 1.00 0.00 C ATOM 1045 O ALA A 74 -4.277 1.820 7.088 1.00 0.00 O ATOM 1046 CB ALA A 74 -5.464 1.722 4.090 1.00 0.00 C ATOM 0 H ALA A 74 -7.468 0.380 4.602 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.733 0.097 5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.520 2.267 4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.521 1.114 3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.292 2.431 4.103 1.00 0.00 H new ATOM 1052 N LYS A 75 -6.500 2.149 7.105 1.00 0.00 N ATOM 1053 CA LYS A 75 -6.480 2.950 8.322 1.00 0.00 C ATOM 1054 C LYS A 75 -6.254 2.067 9.542 1.00 0.00 C ATOM 1055 O LYS A 75 -5.723 2.515 10.561 1.00 0.00 O ATOM 1056 CB LYS A 75 -7.789 3.724 8.469 1.00 0.00 C ATOM 1057 CG LYS A 75 -7.752 5.100 7.816 1.00 0.00 C ATOM 1058 CD LYS A 75 -9.084 5.459 7.179 1.00 0.00 C ATOM 1059 CE LYS A 75 -10.069 5.991 8.205 1.00 0.00 C ATOM 1060 NZ LYS A 75 -10.868 7.131 7.679 1.00 0.00 N ATOM 0 H LYS A 75 -7.428 2.015 6.703 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.656 3.660 8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.599 3.142 8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.018 3.838 9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.493 5.850 8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.969 5.122 7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.927 6.208 6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.504 4.579 6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.741 5.189 8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.527 6.310 9.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.526 7.461 8.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.230 7.908 7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.407 6.822 6.845 1.00 0.00 H new ATOM 1074 N LEU A 76 -6.645 0.807 9.428 1.00 0.00 N ATOM 1075 CA LEU A 76 -6.470 -0.145 10.513 1.00 0.00 C ATOM 1076 C LEU A 76 -5.104 -0.813 10.428 1.00 0.00 C ATOM 1077 O LEU A 76 -4.537 -1.216 11.442 1.00 0.00 O ATOM 1078 CB LEU A 76 -7.566 -1.215 10.480 1.00 0.00 C ATOM 1079 CG LEU A 76 -8.703 -1.022 11.490 1.00 0.00 C ATOM 1080 CD1 LEU A 76 -8.148 -0.804 12.890 1.00 0.00 C ATOM 1081 CD2 LEU A 76 -9.596 0.140 11.082 1.00 0.00 C ATOM 0 H LEU A 76 -7.086 0.420 8.594 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.540 0.405 11.452 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.994 -1.242 9.478 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.106 -2.187 10.657 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.306 -1.930 11.498 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.972 -0.669 13.591 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.557 -1.671 13.186 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.517 0.085 12.897 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.396 0.258 11.813 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.005 1.055 11.039 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.028 -0.060 10.101 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.611 -0.985 9.208 1.00 0.00 N ATOM 1094 CA ALA A 77 -3.347 -1.670 8.977 1.00 0.00 C ATOM 1095 C ALA A 77 -2.158 -0.836 9.439 1.00 0.00 C ATOM 1096 O ALA A 77 -2.294 0.338 9.782 1.00 0.00 O ATOM 1097 CB ALA A 77 -3.199 -2.020 7.504 1.00 0.00 C ATOM 0 H ALA A 77 -5.071 -0.657 8.359 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.358 -2.587 9.567 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.250 -2.532 7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.018 -2.672 7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.223 -1.107 6.909 1.00 0.00 H new ATOM 1103 N LYS A 78 -0.990 -1.457 9.445 1.00 0.00 N ATOM 1104 CA LYS A 78 0.227 -0.788 9.863 1.00 0.00 C ATOM 1105 C LYS A 78 1.196 -0.662 8.695 1.00 0.00 C ATOM 1106 O LYS A 78 1.848 -1.632 8.307 1.00 0.00 O ATOM 1107 CB LYS A 78 0.886 -1.561 11.008 1.00 0.00 C ATOM 1108 CG LYS A 78 2.084 -0.849 11.612 1.00 0.00 C ATOM 1109 CD LYS A 78 2.931 -1.795 12.445 1.00 0.00 C ATOM 1110 CE LYS A 78 2.188 -2.253 13.688 1.00 0.00 C ATOM 1111 NZ LYS A 78 2.727 -3.528 14.229 1.00 0.00 N ATOM 0 H LYS A 78 -0.861 -2.429 9.163 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.031 0.212 10.211 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.147 -1.737 11.789 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.201 -2.538 10.642 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.692 -0.419 10.816 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.742 -0.022 12.234 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.209 -2.662 11.845 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.857 -1.298 12.735 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.253 -1.480 14.453 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.131 -2.379 13.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.189 -3.801 15.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.641 -4.274 13.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.728 -3.403 14.480 1.00 0.00 H new ATOM 1125 N ILE A 79 1.323 0.548 8.177 1.00 0.00 N ATOM 1126 CA ILE A 79 2.258 0.830 7.103 1.00 0.00 C ATOM 1127 C ILE A 79 3.474 1.554 7.667 1.00 0.00 C ATOM 1128 O ILE A 79 3.364 2.675 8.168 1.00 0.00 O ATOM 1129 CB ILE A 79 1.610 1.683 5.988 1.00 0.00 C ATOM 1130 CG1 ILE A 79 0.387 0.965 5.411 1.00 0.00 C ATOM 1131 CG2 ILE A 79 2.614 1.977 4.883 1.00 0.00 C ATOM 1132 CD1 ILE A 79 -0.936 1.528 5.881 1.00 0.00 C ATOM 0 H ILE A 79 0.785 1.357 8.487 1.00 0.00 H new ATOM 0 HA ILE A 79 2.560 -0.119 6.660 1.00 0.00 H new ATOM 0 HB ILE A 79 1.290 2.629 6.425 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.427 1.019 4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.437 -0.090 5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.137 2.578 4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.461 2.524 5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.964 1.040 4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.752 0.966 5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.000 1.450 6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.010 2.575 5.588 1.00 0.00 H new ATOM 1144 N PRO A 80 4.624 0.877 7.690 1.00 0.00 N ATOM 1145 CA PRO A 80 5.845 1.408 8.295 1.00 0.00 C ATOM 1146 C PRO A 80 6.435 2.570 7.500 1.00 0.00 C ATOM 1147 O PRO A 80 6.299 2.633 6.275 1.00 0.00 O ATOM 1148 CB PRO A 80 6.811 0.215 8.284 1.00 0.00 C ATOM 1149 CG PRO A 80 5.967 -0.986 8.021 1.00 0.00 C ATOM 1150 CD PRO A 80 4.799 -0.503 7.216 1.00 0.00 C ATOM 0 HA PRO A 80 5.654 1.809 9.290 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.572 0.335 7.513 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.333 0.125 9.237 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.528 -1.746 7.477 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.636 -1.442 8.954 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.003 -0.540 6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.909 -1.107 7.392 1.00 0.00 H new ATOM 1158 N LYS A 81 7.158 3.439 8.194 1.00 0.00 N ATOM 1159 CA LYS A 81 7.855 4.544 7.556 1.00 0.00 C ATOM 1160 C LYS A 81 9.028 4.006 6.747 1.00 0.00 C ATOM 1161 O LYS A 81 9.809 3.201 7.250 1.00 0.00 O ATOM 1162 CB LYS A 81 8.345 5.541 8.611 1.00 0.00 C ATOM 1163 CG LYS A 81 9.219 6.653 8.050 1.00 0.00 C ATOM 1164 CD LYS A 81 10.399 6.952 8.961 1.00 0.00 C ATOM 1165 CE LYS A 81 11.668 6.272 8.474 1.00 0.00 C ATOM 1166 NZ LYS A 81 12.870 6.794 9.167 1.00 0.00 N ATOM 0 H LYS A 81 7.276 3.398 9.206 1.00 0.00 H new ATOM 0 HA LYS A 81 7.169 5.063 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.481 5.986 9.105 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.906 5.001 9.374 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.584 6.367 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.622 7.555 7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.558 8.029 9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.172 6.618 9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.591 5.197 8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.773 6.423 7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.716 6.307 8.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.957 7.815 8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.781 6.627 10.190 1.00 0.00 H new ATOM 1180 N PRO A 82 9.106 4.373 5.459 1.00 0.00 N ATOM 1181 CA PRO A 82 10.126 3.854 4.542 1.00 0.00 C ATOM 1182 C PRO A 82 11.549 3.992 5.083 1.00 0.00 C ATOM 1183 O PRO A 82 12.078 5.100 5.194 1.00 0.00 O ATOM 1184 CB PRO A 82 9.949 4.721 3.298 1.00 0.00 C ATOM 1185 CG PRO A 82 8.519 5.129 3.319 1.00 0.00 C ATOM 1186 CD PRO A 82 8.142 5.254 4.770 1.00 0.00 C ATOM 0 HA PRO A 82 10.000 2.785 4.368 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.608 5.589 3.324 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.188 4.165 2.391 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.376 6.075 2.796 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.895 4.390 2.817 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.222 6.284 5.117 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.114 4.937 4.945 1.00 0.00 H new ATOM 1194 N PRO A 83 12.199 2.858 5.394 1.00 0.00 N ATOM 1195 CA PRO A 83 13.577 2.848 5.882 1.00 0.00 C ATOM 1196 C PRO A 83 14.569 3.057 4.745 1.00 0.00 C ATOM 1197 O PRO A 83 15.713 3.463 4.958 1.00 0.00 O ATOM 1198 CB PRO A 83 13.722 1.448 6.474 1.00 0.00 C ATOM 1199 CG PRO A 83 12.794 0.602 5.672 1.00 0.00 C ATOM 1200 CD PRO A 83 11.649 1.493 5.261 1.00 0.00 C ATOM 0 HA PRO A 83 13.780 3.646 6.597 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.749 1.090 6.399 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.456 1.435 7.531 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.300 0.193 4.798 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.436 -0.244 6.258 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.330 1.288 4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.779 1.348 5.902 1.00 0.00 H new ATOM 1208 N SER A 84 14.111 2.772 3.538 1.00 0.00 N ATOM 1209 CA SER A 84 14.913 2.913 2.342 1.00 0.00 C ATOM 1210 C SER A 84 14.606 4.237 1.661 1.00 0.00 C ATOM 1211 O SER A 84 13.460 4.686 1.652 1.00 0.00 O ATOM 1212 CB SER A 84 14.593 1.755 1.404 1.00 0.00 C ATOM 1213 OG SER A 84 13.383 1.127 1.800 1.00 0.00 O ATOM 0 H SER A 84 13.165 2.434 3.363 1.00 0.00 H new ATOM 0 HA SER A 84 15.972 2.898 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.505 2.119 0.381 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.408 1.031 1.415 1.00 0.00 H new ATOM 0 HG SER A 84 13.185 0.386 1.191 1.00 0.00 H new ATOM 1219 N GLN A 85 15.628 4.862 1.095 1.00 0.00 N ATOM 1220 CA GLN A 85 15.461 6.141 0.420 1.00 0.00 C ATOM 1221 C GLN A 85 14.725 5.965 -0.900 1.00 0.00 C ATOM 1222 O GLN A 85 14.001 6.859 -1.342 1.00 0.00 O ATOM 1223 CB GLN A 85 16.820 6.799 0.184 1.00 0.00 C ATOM 1224 CG GLN A 85 17.423 7.405 1.439 1.00 0.00 C ATOM 1225 CD GLN A 85 16.425 8.244 2.212 1.00 0.00 C ATOM 1226 OE1 GLN A 85 15.790 9.143 1.659 1.00 0.00 O ATOM 1227 NE2 GLN A 85 16.281 7.956 3.492 1.00 0.00 N ATOM 0 H GLN A 85 16.583 4.504 1.090 1.00 0.00 H new ATOM 0 HA GLN A 85 14.863 6.789 1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 85 17.509 6.057 -0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.712 7.578 -0.571 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.797 6.607 2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 85 18.279 8.023 1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 85 16.827 7.203 3.910 1.00 0.00 H new ATOM 0 HE22 GLN A 85 15.623 8.487 4.063 1.00 0.00 H new ATOM 1236 N ALA A 86 14.861 4.783 -1.490 1.00 0.00 N ATOM 1237 CA ALA A 86 14.158 4.459 -2.721 1.00 0.00 C ATOM 1238 C ALA A 86 12.652 4.490 -2.493 1.00 0.00 C ATOM 1239 O ALA A 86 11.921 5.189 -3.192 1.00 0.00 O ATOM 1240 CB ALA A 86 14.594 3.095 -3.235 1.00 0.00 C ATOM 0 H ALA A 86 15.453 4.033 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 86 14.408 5.206 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.060 2.866 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.666 3.105 -3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.369 2.335 -2.487 1.00 0.00 H new ATOM 1246 N VAL A 87 12.202 3.771 -1.473 1.00 0.00 N ATOM 1247 CA VAL A 87 10.792 3.755 -1.111 1.00 0.00 C ATOM 1248 C VAL A 87 10.358 5.118 -0.579 1.00 0.00 C ATOM 1249 O VAL A 87 9.260 5.588 -0.867 1.00 0.00 O ATOM 1250 CB VAL A 87 10.497 2.667 -0.053 1.00 0.00 C ATOM 1251 CG1 VAL A 87 9.014 2.620 0.281 1.00 0.00 C ATOM 1252 CG2 VAL A 87 10.976 1.308 -0.540 1.00 0.00 C ATOM 0 H VAL A 87 12.795 3.190 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 87 10.225 3.525 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 87 11.041 2.923 0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.833 1.846 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.699 3.586 0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.445 2.394 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.761 0.554 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 87 10.461 1.051 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 87 12.050 1.344 -0.721 1.00 0.00 H new ATOM 1262 N TYR A 88 11.253 5.759 0.164 1.00 0.00 N ATOM 1263 CA TYR A 88 11.014 7.089 0.724 1.00 0.00 C ATOM 1264 C TYR A 88 10.601 8.083 -0.360 1.00 0.00 C ATOM 1265 O TYR A 88 9.650 8.843 -0.188 1.00 0.00 O ATOM 1266 CB TYR A 88 12.296 7.581 1.398 1.00 0.00 C ATOM 1267 CG TYR A 88 12.098 8.520 2.567 1.00 0.00 C ATOM 1268 CD1 TYR A 88 12.006 9.892 2.373 1.00 0.00 C ATOM 1269 CD2 TYR A 88 12.046 8.037 3.868 1.00 0.00 C ATOM 1270 CE1 TYR A 88 11.870 10.755 3.443 1.00 0.00 C ATOM 1271 CE2 TYR A 88 11.901 8.894 4.942 1.00 0.00 C ATOM 1272 CZ TYR A 88 11.816 10.252 4.724 1.00 0.00 C ATOM 1273 OH TYR A 88 11.696 11.115 5.791 1.00 0.00 O ATOM 0 H TYR A 88 12.168 5.372 0.397 1.00 0.00 H new ATOM 0 HA TYR A 88 10.202 7.019 1.448 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.860 6.714 1.742 1.00 0.00 H new ATOM 0 HB3 TYR A 88 12.909 8.084 0.650 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.041 10.291 1.370 1.00 0.00 H new ATOM 0 HD2 TYR A 88 12.120 6.974 4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 88 11.806 11.820 3.276 1.00 0.00 H new ATOM 0 HE2 TYR A 88 11.855 8.502 5.947 1.00 0.00 H new ATOM 0 HH TYR A 88 11.671 10.602 6.626 1.00 0.00 H new ATOM 1283 N GLU A 89 11.383 8.137 -1.429 1.00 0.00 N ATOM 1284 CA GLU A 89 11.168 9.118 -2.482 1.00 0.00 C ATOM 1285 C GLU A 89 10.021 8.722 -3.411 1.00 0.00 C ATOM 1286 O GLU A 89 9.426 9.574 -4.070 1.00 0.00 O ATOM 1287 CB GLU A 89 12.450 9.299 -3.293 1.00 0.00 C ATOM 1288 CG GLU A 89 13.099 10.655 -3.096 1.00 0.00 C ATOM 1289 CD GLU A 89 12.495 11.719 -3.987 1.00 0.00 C ATOM 1290 OE1 GLU A 89 11.258 11.884 -3.976 1.00 0.00 O ATOM 1291 OE2 GLU A 89 13.256 12.400 -4.699 1.00 0.00 O ATOM 0 H GLU A 89 12.173 7.512 -1.590 1.00 0.00 H new ATOM 0 HA GLU A 89 10.895 10.058 -2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.160 8.520 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 89 12.225 9.162 -4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.995 10.956 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.167 10.577 -3.301 1.00 0.00 H new ATOM 1298 N VAL A 90 9.767 7.431 -3.529 1.00 0.00 N ATOM 1299 CA VAL A 90 8.753 6.949 -4.461 1.00 0.00 C ATOM 1300 C VAL A 90 7.363 6.930 -3.818 1.00 0.00 C ATOM 1301 O VAL A 90 6.368 7.254 -4.468 1.00 0.00 O ATOM 1302 CB VAL A 90 9.107 5.540 -4.997 1.00 0.00 C ATOM 1303 CG1 VAL A 90 7.953 4.945 -5.794 1.00 0.00 C ATOM 1304 CG2 VAL A 90 10.364 5.598 -5.853 1.00 0.00 C ATOM 0 H VAL A 90 10.242 6.700 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 90 8.734 7.646 -5.299 1.00 0.00 H new ATOM 0 HB VAL A 90 9.293 4.893 -4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.233 3.956 -6.157 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.074 4.862 -5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.725 5.591 -6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 90 10.599 4.600 -6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.199 6.267 -6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.196 5.969 -5.254 1.00 0.00 H new ATOM 1314 N PHE A 91 7.290 6.469 -2.578 1.00 0.00 N ATOM 1315 CA PHE A 91 6.009 6.298 -1.898 1.00 0.00 C ATOM 1316 C PHE A 91 5.436 7.614 -1.383 1.00 0.00 C ATOM 1317 O PHE A 91 4.327 7.635 -0.854 1.00 0.00 O ATOM 1318 CB PHE A 91 6.151 5.299 -0.747 1.00 0.00 C ATOM 1319 CG PHE A 91 5.744 3.903 -1.115 1.00 0.00 C ATOM 1320 CD1 PHE A 91 6.245 3.297 -2.256 1.00 0.00 C ATOM 1321 CD2 PHE A 91 4.860 3.195 -0.320 1.00 0.00 C ATOM 1322 CE1 PHE A 91 5.870 2.011 -2.596 1.00 0.00 C ATOM 1323 CE2 PHE A 91 4.483 1.911 -0.656 1.00 0.00 C ATOM 1324 CZ PHE A 91 4.987 1.318 -1.795 1.00 0.00 C ATOM 0 H PHE A 91 8.102 6.206 -2.020 1.00 0.00 H new ATOM 0 HA PHE A 91 5.306 5.911 -2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.187 5.290 -0.409 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.545 5.636 0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.936 3.836 -2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.461 3.652 0.573 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.268 1.550 -3.488 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.792 1.370 -0.026 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.691 0.313 -2.059 1.00 0.00 H new ATOM 1334 N LYS A 92 6.155 8.714 -1.592 1.00 0.00 N ATOM 1335 CA LYS A 92 5.663 10.035 -1.197 1.00 0.00 C ATOM 1336 C LYS A 92 4.320 10.326 -1.863 1.00 0.00 C ATOM 1337 O LYS A 92 3.431 10.932 -1.267 1.00 0.00 O ATOM 1338 CB LYS A 92 6.674 11.118 -1.565 1.00 0.00 C ATOM 1339 CG LYS A 92 7.730 11.345 -0.499 1.00 0.00 C ATOM 1340 CD LYS A 92 8.457 12.662 -0.708 1.00 0.00 C ATOM 1341 CE LYS A 92 9.963 12.470 -0.759 1.00 0.00 C ATOM 1342 NZ LYS A 92 10.585 13.296 -1.829 1.00 0.00 N ATOM 0 H LYS A 92 7.076 8.719 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 92 5.527 10.038 -0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.164 10.844 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.144 12.053 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.262 11.339 0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.448 10.525 -0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.117 13.122 -1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.205 13.349 0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.397 12.736 0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.191 11.418 -0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.558 13.541 -1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.599 12.758 -2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.033 14.167 -1.960 1.00 0.00 H new ATOM 1356 N ASN A 93 4.139 9.763 -3.043 1.00 0.00 N ATOM 1357 CA ASN A 93 2.863 9.818 -3.735 1.00 0.00 C ATOM 1358 C ASN A 93 2.786 8.686 -4.746 1.00 0.00 C ATOM 1359 O ASN A 93 2.953 8.894 -5.948 1.00 0.00 O ATOM 1360 CB ASN A 93 2.655 11.166 -4.431 1.00 0.00 C ATOM 1361 CG ASN A 93 1.256 11.308 -5.013 1.00 0.00 C ATOM 1362 OD1 ASN A 93 1.064 11.970 -6.034 1.00 0.00 O ATOM 1363 ND2 ASN A 93 0.267 10.697 -4.371 1.00 0.00 N ATOM 0 H ASN A 93 4.867 9.257 -3.547 1.00 0.00 H new ATOM 0 HA ASN A 93 2.069 9.706 -2.997 1.00 0.00 H new ATOM 0 HB2 ASN A 93 2.833 11.971 -3.718 1.00 0.00 H new ATOM 0 HB3 ASN A 93 3.390 11.278 -5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -0.689 10.768 -4.721 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.463 10.157 -3.528 1.00 0.00 H new ATOM 1370 N ALA A 94 2.553 7.487 -4.245 1.00 0.00 N ATOM 1371 CA ALA A 94 2.469 6.312 -5.091 1.00 0.00 C ATOM 1372 C ALA A 94 1.027 5.837 -5.195 1.00 0.00 C ATOM 1373 O ALA A 94 0.545 5.094 -4.338 1.00 0.00 O ATOM 1374 CB ALA A 94 3.362 5.204 -4.552 1.00 0.00 C ATOM 0 H ALA A 94 2.418 7.301 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 94 2.817 6.576 -6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.287 4.330 -5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.396 5.549 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.044 4.938 -3.544 1.00 0.00 H new ATOM 1380 N PRO A 95 0.314 6.255 -6.251 1.00 0.00 N ATOM 1381 CA PRO A 95 -1.072 5.862 -6.469 1.00 0.00 C ATOM 1382 C PRO A 95 -1.148 4.413 -6.925 1.00 0.00 C ATOM 1383 O PRO A 95 -0.735 4.071 -8.033 1.00 0.00 O ATOM 1384 CB PRO A 95 -1.562 6.822 -7.571 1.00 0.00 C ATOM 1385 CG PRO A 95 -0.471 7.834 -7.726 1.00 0.00 C ATOM 1386 CD PRO A 95 0.790 7.132 -7.322 1.00 0.00 C ATOM 0 HA PRO A 95 -1.680 5.925 -5.567 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.741 6.290 -8.505 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.502 7.297 -7.290 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.409 8.190 -8.755 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.653 8.706 -7.098 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.227 6.570 -8.147 1.00 0.00 H new ATOM 0 HD3 PRO A 95 1.552 7.829 -6.972 1.00 0.00 H new ATOM 1394 N LEU A 96 -1.549 3.549 -6.013 1.00 0.00 N ATOM 1395 CA LEU A 96 -1.536 2.125 -6.268 1.00 0.00 C ATOM 1396 C LEU A 96 -2.926 1.628 -6.617 1.00 0.00 C ATOM 1397 O LEU A 96 -3.880 1.841 -5.866 1.00 0.00 O ATOM 1398 CB LEU A 96 -1.007 1.374 -5.046 1.00 0.00 C ATOM 1399 CG LEU A 96 -0.052 0.222 -5.354 1.00 0.00 C ATOM 1400 CD1 LEU A 96 1.374 0.601 -4.987 1.00 0.00 C ATOM 1401 CD2 LEU A 96 -0.480 -1.034 -4.611 1.00 0.00 C ATOM 0 H LEU A 96 -1.888 3.811 -5.087 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.877 1.937 -7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.496 2.084 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.855 0.982 -4.485 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.088 0.018 -6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.041 -0.231 -5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.677 1.476 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.427 0.830 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.210 -1.846 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.471 -0.843 -3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.487 -1.315 -4.921 1.00 0.00 H new ATOM 1413 N ASP A 97 -3.013 0.880 -7.705 1.00 0.00 N ATOM 1414 CA ASP A 97 -4.260 0.243 -8.091 1.00 0.00 C ATOM 1415 C ASP A 97 -4.506 -0.949 -7.183 1.00 0.00 C ATOM 1416 O ASP A 97 -3.843 -1.981 -7.311 1.00 0.00 O ATOM 1417 CB ASP A 97 -4.203 -0.210 -9.552 1.00 0.00 C ATOM 1418 CG ASP A 97 -5.523 -0.780 -10.039 1.00 0.00 C ATOM 1419 OD1 ASP A 97 -6.564 -0.110 -9.877 1.00 0.00 O ATOM 1420 OD2 ASP A 97 -5.516 -1.888 -10.619 1.00 0.00 O ATOM 0 H ASP A 97 -2.233 0.699 -8.337 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.077 0.958 -7.990 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -3.923 0.636 -10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -3.423 -0.963 -9.665 1.00 0.00 H new ATOM 1425 N PHE A 98 -5.390 -0.774 -6.215 1.00 0.00 N ATOM 1426 CA PHE A 98 -5.643 -1.809 -5.234 1.00 0.00 C ATOM 1427 C PHE A 98 -6.369 -2.972 -5.868 1.00 0.00 C ATOM 1428 O PHE A 98 -7.494 -2.838 -6.355 1.00 0.00 O ATOM 1429 CB PHE A 98 -6.444 -1.282 -4.047 1.00 0.00 C ATOM 1430 CG PHE A 98 -5.938 -1.808 -2.736 1.00 0.00 C ATOM 1431 CD1 PHE A 98 -4.735 -1.360 -2.216 1.00 0.00 C ATOM 1432 CD2 PHE A 98 -6.655 -2.763 -2.032 1.00 0.00 C ATOM 1433 CE1 PHE A 98 -4.256 -1.854 -1.019 1.00 0.00 C ATOM 1434 CE2 PHE A 98 -6.181 -3.258 -0.833 1.00 0.00 C ATOM 1435 CZ PHE A 98 -4.980 -2.802 -0.327 1.00 0.00 C ATOM 0 H PHE A 98 -5.942 0.074 -6.090 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.676 -2.147 -4.862 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -6.402 -0.193 -4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -7.491 -1.560 -4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -4.165 -0.616 -2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -7.594 -3.124 -2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.315 -1.498 -0.625 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -6.749 -4.001 -0.292 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.608 -3.188 0.611 1.00 0.00 H new ATOM 1445 N LYS A 99 -5.711 -4.107 -5.863 1.00 0.00 N ATOM 1446 CA LYS A 99 -6.262 -5.306 -6.436 1.00 0.00 C ATOM 1447 C LYS A 99 -6.109 -6.455 -5.459 1.00 0.00 C ATOM 1448 O LYS A 99 -5.001 -6.716 -4.985 1.00 0.00 O ATOM 1449 CB LYS A 99 -5.554 -5.634 -7.753 1.00 0.00 C ATOM 1450 CG LYS A 99 -6.024 -6.928 -8.395 1.00 0.00 C ATOM 1451 CD LYS A 99 -5.388 -7.133 -9.759 1.00 0.00 C ATOM 1452 CE LYS A 99 -6.438 -7.394 -10.825 1.00 0.00 C ATOM 1453 NZ LYS A 99 -6.076 -6.775 -12.126 1.00 0.00 N ATOM 0 H LYS A 99 -4.780 -4.222 -5.462 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.321 -5.151 -6.640 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.711 -4.814 -8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.481 -5.698 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.777 -7.768 -7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.109 -6.912 -8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.806 -6.251 -10.027 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.694 -7.972 -9.716 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.561 -8.469 -10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.399 -7.001 -10.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.819 -6.977 -12.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.983 -5.746 -12.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.172 -7.168 -12.458 1.00 0.00 H new ATOM 1467 N PRO A 100 -7.225 -7.160 -5.179 1.00 0.00 N ATOM 1468 CA PRO A 100 -7.276 -8.335 -4.306 1.00 0.00 C ATOM 1469 C PRO A 100 -5.991 -9.159 -4.386 1.00 0.00 C ATOM 1470 O PRO A 100 -5.519 -9.474 -5.482 1.00 0.00 O ATOM 1471 CB PRO A 100 -8.481 -9.122 -4.859 1.00 0.00 C ATOM 1472 CG PRO A 100 -9.092 -8.258 -5.925 1.00 0.00 C ATOM 1473 CD PRO A 100 -8.546 -6.884 -5.728 1.00 0.00 C ATOM 0 HA PRO A 100 -7.374 -8.076 -3.252 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -8.165 -10.081 -5.269 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.202 -9.335 -4.070 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.844 -8.634 -6.917 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -10.179 -8.257 -5.847 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.491 -6.329 -6.664 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -9.158 -6.296 -5.044 1.00 0.00 H new ATOM 1481 N HIS A 101 -5.315 -9.274 -3.245 1.00 0.00 N ATOM 1482 CA HIS A 101 -3.958 -9.774 -3.207 1.00 0.00 C ATOM 1483 C HIS A 101 -3.851 -11.213 -3.715 1.00 0.00 C ATOM 1484 O HIS A 101 -4.719 -12.052 -3.456 1.00 0.00 O ATOM 1485 CB HIS A 101 -3.405 -9.631 -1.777 1.00 0.00 C ATOM 1486 CG HIS A 101 -3.391 -10.900 -0.989 1.00 0.00 C ATOM 1487 ND1 HIS A 101 -4.519 -11.456 -0.428 1.00 0.00 N ATOM 1488 CD2 HIS A 101 -2.381 -11.744 -0.708 1.00 0.00 C ATOM 1489 CE1 HIS A 101 -4.196 -12.588 0.155 1.00 0.00 C ATOM 1490 NE2 HIS A 101 -2.906 -12.789 -0.001 1.00 0.00 N ATOM 0 H HIS A 101 -5.695 -9.024 -2.332 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.351 -9.176 -3.887 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.389 -9.241 -1.831 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.002 -8.892 -1.242 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -5.456 -11.053 -0.460 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -1.346 -11.618 -0.990 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -4.877 -13.245 0.676 1.00 0.00 H new ATOM 1499 N HIS A 102 -2.731 -11.490 -4.364 1.00 0.00 N ATOM 1500 CA HIS A 102 -2.411 -12.822 -4.842 1.00 0.00 C ATOM 1501 C HIS A 102 -0.904 -13.000 -4.812 1.00 0.00 C ATOM 1502 O HIS A 102 -0.422 -14.129 -5.010 1.00 0.00 O ATOM 1503 CB HIS A 102 -2.943 -13.031 -6.264 1.00 0.00 C ATOM 1504 CG HIS A 102 -3.124 -14.472 -6.627 1.00 0.00 C ATOM 1505 ND1 HIS A 102 -2.109 -15.250 -7.140 1.00 0.00 N ATOM 1506 CD2 HIS A 102 -4.204 -15.280 -6.536 1.00 0.00 C ATOM 1507 CE1 HIS A 102 -2.559 -16.470 -7.348 1.00 0.00 C ATOM 1508 NE2 HIS A 102 -3.826 -16.517 -6.990 1.00 0.00 N ATOM 0 H HIS A 102 -2.017 -10.793 -4.574 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.885 -13.562 -4.197 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.898 -12.516 -6.366 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.255 -12.569 -6.972 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -5.183 -15.003 -6.173 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -1.985 -17.294 -7.746 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.427 -17.339 -7.042 1.00 0.00 H new TER 1517 HIS A 102