USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 934 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 97 HIS : no HD1:sc= -0.104 K(o=-0.35,f=-2) USER MOD Set 1.2: A 99 SER OG : rot -80:sc= -0.247 USER MOD Set 2.1: A 50 ASN : amide:sc= 0.557 K(o=0.069,f=-2.4) USER MOD Set 2.2: A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 82 SER OG : rot 180:sc= 0.32 USER MOD Set 2.4: A 86 ASN : amide:sc= -0.808 K(o=0.069,f=-2) USER MOD Set 3.1: A 48 LYS NZ :NH3+ 156:sc= 0.151 (180deg=0.0322) USER MOD Set 3.2: A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00986 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00828 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 24:sc= 0.326 USER MOD Single : A 14 SER OG : rot 43:sc= 0.0319 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -170:sc= 0.776 (180deg=0.629) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= 1.31 (180deg=1.11) USER MOD Single : A 29 TYR OH : rot 111:sc= 0.00794 USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= 1.25 (180deg=0.563) USER MOD Single : A 31 MET CE :methyl 150:sc= -0.146 (180deg=-1.45) USER MOD Single : A 33 GLN : amide:sc= -0.0586 K(o=-0.059,f=-0.75) USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.139 F(o=-0.72,f=-0.14) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0.591 K(o=0.59,f=-3.7!) USER MOD Single : A 57 THR OG1 : rot 65:sc= 1.21 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0.794 K(o=0.79,f=-6.4!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 84:sc= 1.28 USER MOD Single : A 74 SER OG : rot -73:sc= 1.25 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.082) USER MOD Single : A 107 THR OG1 : rot -19:sc= 1.21 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.934 2.721 -13.664 1.00 0.00 N ATOM 2 CA GLY A 1 28.567 3.994 -14.032 1.00 0.00 C ATOM 3 C GLY A 1 27.557 5.121 -13.964 1.00 0.00 C ATOM 4 O GLY A 1 27.085 5.562 -15.013 1.00 0.00 O ATOM 0 H1 GLY A 1 28.637 1.956 -13.715 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.562 2.786 -12.695 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.154 2.518 -14.321 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.400 4.202 -13.360 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.979 3.926 -15.039 1.00 0.00 H new ATOM 8 N SER A 2 27.198 5.583 -12.760 1.00 0.00 N ATOM 9 CA SER A 2 26.263 6.692 -12.559 1.00 0.00 C ATOM 10 C SER A 2 26.160 7.075 -11.074 1.00 0.00 C ATOM 11 O SER A 2 26.708 6.394 -10.200 1.00 0.00 O ATOM 12 CB SER A 2 24.878 6.345 -13.141 1.00 0.00 C ATOM 13 OG SER A 2 24.603 4.945 -13.161 1.00 0.00 O ATOM 0 H SER A 2 27.554 5.191 -11.888 1.00 0.00 H new ATOM 0 HA SER A 2 26.650 7.560 -13.093 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.110 6.850 -12.555 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.812 6.735 -14.157 1.00 0.00 H new ATOM 0 HG SER A 2 23.712 4.792 -13.539 1.00 0.00 H new ATOM 19 N SER A 3 25.448 8.165 -10.792 1.00 0.00 N ATOM 20 CA SER A 3 24.901 8.557 -9.501 1.00 0.00 C ATOM 21 C SER A 3 23.626 9.374 -9.794 1.00 0.00 C ATOM 22 O SER A 3 23.142 9.368 -10.926 1.00 0.00 O ATOM 23 CB SER A 3 25.977 9.330 -8.721 1.00 0.00 C ATOM 24 OG SER A 3 25.636 9.491 -7.353 1.00 0.00 O ATOM 0 H SER A 3 25.224 8.846 -11.517 1.00 0.00 H new ATOM 0 HA SER A 3 24.625 7.712 -8.870 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.928 8.802 -8.797 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.119 10.310 -9.176 1.00 0.00 H new ATOM 0 HG SER A 3 26.347 9.986 -6.895 1.00 0.00 H new ATOM 30 N GLY A 4 23.072 10.075 -8.803 1.00 0.00 N ATOM 31 CA GLY A 4 21.956 10.995 -8.986 1.00 0.00 C ATOM 32 C GLY A 4 20.905 10.783 -7.910 1.00 0.00 C ATOM 33 O GLY A 4 19.909 10.100 -8.155 1.00 0.00 O ATOM 0 H GLY A 4 23.394 10.016 -7.837 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.316 12.023 -8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.512 10.845 -9.970 1.00 0.00 H new ATOM 37 N SER A 5 21.114 11.360 -6.726 1.00 0.00 N ATOM 38 CA SER A 5 20.116 11.373 -5.664 1.00 0.00 C ATOM 39 C SER A 5 20.372 12.585 -4.766 1.00 0.00 C ATOM 40 O SER A 5 21.330 12.579 -3.992 1.00 0.00 O ATOM 41 CB SER A 5 20.164 10.045 -4.885 1.00 0.00 C ATOM 42 OG SER A 5 18.867 9.717 -4.445 1.00 0.00 O ATOM 0 H SER A 5 21.984 11.832 -6.479 1.00 0.00 H new ATOM 0 HA SER A 5 19.112 11.463 -6.078 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.557 9.251 -5.521 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.838 10.134 -4.033 1.00 0.00 H new ATOM 0 HG SER A 5 18.893 8.871 -3.950 1.00 0.00 H new ATOM 48 N SER A 6 19.592 13.658 -4.906 1.00 0.00 N ATOM 49 CA SER A 6 19.573 14.765 -3.961 1.00 0.00 C ATOM 50 C SER A 6 18.224 15.485 -4.075 1.00 0.00 C ATOM 51 O SER A 6 17.921 16.103 -5.104 1.00 0.00 O ATOM 52 CB SER A 6 20.765 15.708 -4.200 1.00 0.00 C ATOM 53 OG SER A 6 20.972 16.569 -3.093 1.00 0.00 O ATOM 0 H SER A 6 18.950 13.780 -5.689 1.00 0.00 H new ATOM 0 HA SER A 6 19.680 14.392 -2.942 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.665 15.121 -4.380 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.587 16.302 -5.097 1.00 0.00 H new ATOM 0 HG SER A 6 21.737 17.155 -3.273 1.00 0.00 H new ATOM 59 N GLY A 7 17.400 15.410 -3.030 1.00 0.00 N ATOM 60 CA GLY A 7 16.168 16.173 -2.919 1.00 0.00 C ATOM 61 C GLY A 7 15.643 16.114 -1.492 1.00 0.00 C ATOM 62 O GLY A 7 15.918 15.162 -0.758 1.00 0.00 O ATOM 0 H GLY A 7 17.577 14.806 -2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.346 17.209 -3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.421 15.775 -3.606 1.00 0.00 H new ATOM 66 N THR A 8 14.860 17.112 -1.105 1.00 0.00 N ATOM 67 CA THR A 8 14.230 17.236 0.198 1.00 0.00 C ATOM 68 C THR A 8 12.911 17.952 -0.051 1.00 0.00 C ATOM 69 O THR A 8 12.895 18.997 -0.718 1.00 0.00 O ATOM 70 CB THR A 8 15.128 18.034 1.160 1.00 0.00 C ATOM 71 OG1 THR A 8 16.426 17.469 1.234 1.00 0.00 O ATOM 72 CG2 THR A 8 14.557 18.132 2.575 1.00 0.00 C ATOM 0 H THR A 8 14.638 17.893 -1.722 1.00 0.00 H new ATOM 0 HA THR A 8 14.069 16.265 0.666 1.00 0.00 H new ATOM 0 HB THR A 8 15.177 19.040 0.744 1.00 0.00 H new ATOM 0 HG1 THR A 8 16.977 17.995 1.850 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.238 18.707 3.203 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.587 18.628 2.542 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.439 17.131 2.990 1.00 0.00 H new ATOM 80 N VAL A 9 11.814 17.376 0.431 1.00 0.00 N ATOM 81 CA VAL A 9 10.486 17.923 0.239 1.00 0.00 C ATOM 82 C VAL A 9 9.654 17.547 1.467 1.00 0.00 C ATOM 83 O VAL A 9 9.137 16.431 1.569 1.00 0.00 O ATOM 84 CB VAL A 9 9.950 17.508 -1.153 1.00 0.00 C ATOM 85 CG1 VAL A 9 9.806 16.004 -1.397 1.00 0.00 C ATOM 86 CG2 VAL A 9 8.619 18.188 -1.464 1.00 0.00 C ATOM 0 H VAL A 9 11.828 16.510 0.969 1.00 0.00 H new ATOM 0 HA VAL A 9 10.454 19.012 0.195 1.00 0.00 H new ATOM 0 HB VAL A 9 10.733 17.848 -1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.423 15.834 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.779 15.524 -1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.113 15.582 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.271 17.874 -2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.882 17.906 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.752 19.270 -1.454 1.00 0.00 H new ATOM 96 N ALA A 10 9.594 18.454 2.447 1.00 0.00 N ATOM 97 CA ALA A 10 8.724 18.341 3.611 1.00 0.00 C ATOM 98 C ALA A 10 8.239 19.727 4.016 1.00 0.00 C ATOM 99 O ALA A 10 9.003 20.691 3.976 1.00 0.00 O ATOM 100 CB ALA A 10 9.462 17.677 4.773 1.00 0.00 C ATOM 0 H ALA A 10 10.161 19.302 2.449 1.00 0.00 H new ATOM 0 HA ALA A 10 7.867 17.718 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.795 17.602 5.632 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.785 16.679 4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.333 18.276 5.041 1.00 0.00 H new ATOM 106 N SER A 11 6.974 19.801 4.403 1.00 0.00 N ATOM 107 CA SER A 11 6.222 20.953 4.869 1.00 0.00 C ATOM 108 C SER A 11 4.975 20.389 5.562 1.00 0.00 C ATOM 109 O SER A 11 4.786 19.165 5.592 1.00 0.00 O ATOM 110 CB SER A 11 5.798 21.812 3.667 1.00 0.00 C ATOM 111 OG SER A 11 6.850 22.594 3.140 1.00 0.00 O ATOM 0 H SER A 11 6.389 18.965 4.397 1.00 0.00 H new ATOM 0 HA SER A 11 6.812 21.575 5.542 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.410 21.161 2.883 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.982 22.469 3.969 1.00 0.00 H new ATOM 0 HG SER A 11 7.710 22.187 3.375 1.00 0.00 H new ATOM 117 N ARG A 12 4.096 21.274 6.045 1.00 0.00 N ATOM 118 CA ARG A 12 2.771 20.946 6.576 1.00 0.00 C ATOM 119 C ARG A 12 2.864 19.996 7.775 1.00 0.00 C ATOM 120 O ARG A 12 3.951 19.644 8.240 1.00 0.00 O ATOM 121 CB ARG A 12 1.842 20.478 5.423 1.00 0.00 C ATOM 122 CG ARG A 12 1.395 21.670 4.553 1.00 0.00 C ATOM 123 CD ARG A 12 1.143 21.346 3.075 1.00 0.00 C ATOM 124 NE ARG A 12 0.009 20.429 2.843 1.00 0.00 N ATOM 125 CZ ARG A 12 0.061 19.264 2.183 1.00 0.00 C ATOM 126 NH1 ARG A 12 1.225 18.710 1.886 1.00 0.00 N ATOM 127 NH2 ARG A 12 -1.045 18.639 1.788 1.00 0.00 N ATOM 0 H ARG A 12 4.296 22.274 6.077 1.00 0.00 H new ATOM 0 HA ARG A 12 2.301 21.839 6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.364 19.748 4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.967 19.977 5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.481 22.086 4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.157 22.448 4.613 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.960 22.276 2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.045 20.905 2.652 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.897 20.708 3.220 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.093 19.170 2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.254 17.823 1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.959 19.046 1.986 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.979 17.753 1.287 1.00 0.00 H new ATOM 141 N LEU A 13 1.724 19.631 8.343 1.00 0.00 N ATOM 142 CA LEU A 13 1.633 18.767 9.509 1.00 0.00 C ATOM 143 C LEU A 13 0.452 17.836 9.280 1.00 0.00 C ATOM 144 O LEU A 13 -0.381 18.104 8.409 1.00 0.00 O ATOM 145 CB LEU A 13 1.441 19.650 10.760 1.00 0.00 C ATOM 146 CG LEU A 13 1.774 18.959 12.095 1.00 0.00 C ATOM 147 CD1 LEU A 13 3.268 18.624 12.180 1.00 0.00 C ATOM 148 CD2 LEU A 13 1.394 19.875 13.263 1.00 0.00 C ATOM 0 H LEU A 13 0.814 19.936 7.996 1.00 0.00 H new ATOM 0 HA LEU A 13 2.533 18.172 9.661 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.066 20.537 10.661 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.406 19.991 10.792 1.00 0.00 H new ATOM 0 HG LEU A 13 1.203 18.032 12.150 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.478 18.137 13.132 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.538 17.955 11.363 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.851 19.542 12.106 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.632 19.381 14.205 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.954 20.808 13.191 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.326 20.089 13.225 1.00 0.00 H new ATOM 160 N SER A 14 0.339 16.768 10.060 1.00 0.00 N ATOM 161 CA SER A 14 -0.912 16.058 10.224 1.00 0.00 C ATOM 162 C SER A 14 -1.001 15.496 11.635 1.00 0.00 C ATOM 163 O SER A 14 -0.029 15.492 12.395 1.00 0.00 O ATOM 164 CB SER A 14 -1.078 14.984 9.136 1.00 0.00 C ATOM 165 OG SER A 14 -1.980 15.418 8.132 1.00 0.00 O ATOM 0 H SER A 14 1.114 16.374 10.594 1.00 0.00 H new ATOM 0 HA SER A 14 -1.746 16.748 10.097 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.109 14.761 8.689 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.443 14.060 9.584 1.00 0.00 H new ATOM 0 HG SER A 14 -1.799 16.356 7.913 1.00 0.00 H new ATOM 171 N ASP A 15 -2.202 15.050 11.988 1.00 0.00 N ATOM 172 CA ASP A 15 -2.515 14.474 13.288 1.00 0.00 C ATOM 173 C ASP A 15 -1.772 13.158 13.474 1.00 0.00 C ATOM 174 O ASP A 15 -1.367 12.545 12.490 1.00 0.00 O ATOM 175 CB ASP A 15 -4.031 14.267 13.382 1.00 0.00 C ATOM 176 CG ASP A 15 -4.663 15.293 14.313 1.00 0.00 C ATOM 177 OD1 ASP A 15 -4.260 16.478 14.276 1.00 0.00 O ATOM 178 OD2 ASP A 15 -5.555 14.880 15.087 1.00 0.00 O ATOM 0 H ASP A 15 -3.005 15.081 11.360 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.195 15.149 14.082 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.475 14.348 12.390 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.243 13.261 13.745 1.00 0.00 H new ATOM 183 N THR A 16 -1.617 12.690 14.713 1.00 0.00 N ATOM 184 CA THR A 16 -0.731 11.576 15.040 1.00 0.00 C ATOM 185 C THR A 16 -1.041 10.343 14.181 1.00 0.00 C ATOM 186 O THR A 16 -0.123 9.727 13.625 1.00 0.00 O ATOM 187 CB THR A 16 -0.775 11.332 16.562 1.00 0.00 C ATOM 188 OG1 THR A 16 0.437 10.775 17.019 1.00 0.00 O ATOM 189 CG2 THR A 16 -1.935 10.476 17.083 1.00 0.00 C ATOM 0 H THR A 16 -2.106 13.076 15.521 1.00 0.00 H new ATOM 0 HA THR A 16 0.301 11.821 14.789 1.00 0.00 H new ATOM 0 HB THR A 16 -0.940 12.330 16.967 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.386 10.631 17.987 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.856 10.377 18.166 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.882 10.954 16.830 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.893 9.488 16.624 1.00 0.00 H new ATOM 197 N LYS A 17 -2.331 10.010 14.028 1.00 0.00 N ATOM 198 CA LYS A 17 -2.739 8.893 13.194 1.00 0.00 C ATOM 199 C LYS A 17 -2.516 9.257 11.727 1.00 0.00 C ATOM 200 O LYS A 17 -1.752 8.566 11.058 1.00 0.00 O ATOM 201 CB LYS A 17 -4.222 8.577 13.479 1.00 0.00 C ATOM 202 CG LYS A 17 -4.746 7.368 12.686 1.00 0.00 C ATOM 203 CD LYS A 17 -4.265 6.036 13.281 1.00 0.00 C ATOM 204 CE LYS A 17 -4.457 4.878 12.297 1.00 0.00 C ATOM 205 NZ LYS A 17 -3.455 4.900 11.211 1.00 0.00 N ATOM 0 H LYS A 17 -3.103 10.505 14.475 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.148 8.005 13.417 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.348 8.387 14.545 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.826 9.451 13.238 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.836 7.387 12.674 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.415 7.443 11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.212 6.116 13.549 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.813 5.828 14.200 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.389 3.932 12.834 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.458 4.930 11.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.720 4.209 10.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.419 5.851 10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.520 4.656 11.596 1.00 0.00 H new ATOM 219 N ALA A 18 -3.058 10.399 11.287 1.00 0.00 N ATOM 220 CA ALA A 18 -3.129 10.805 9.887 1.00 0.00 C ATOM 221 C ALA A 18 -1.745 10.947 9.262 1.00 0.00 C ATOM 222 O ALA A 18 -1.532 10.543 8.124 1.00 0.00 O ATOM 223 CB ALA A 18 -3.885 12.136 9.781 1.00 0.00 C ATOM 0 H ALA A 18 -3.471 11.084 11.919 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.658 10.026 9.338 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.939 12.441 8.736 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.893 12.014 10.176 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.360 12.899 10.355 1.00 0.00 H new ATOM 229 N ALA A 19 -0.791 11.513 9.995 1.00 0.00 N ATOM 230 CA ALA A 19 0.576 11.694 9.540 1.00 0.00 C ATOM 231 C ALA A 19 1.288 10.347 9.358 1.00 0.00 C ATOM 232 O ALA A 19 2.310 10.259 8.678 1.00 0.00 O ATOM 233 CB ALA A 19 1.317 12.573 10.542 1.00 0.00 C ATOM 0 H ALA A 19 -0.953 11.864 10.939 1.00 0.00 H new ATOM 0 HA ALA A 19 0.566 12.182 8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.345 12.716 10.210 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.821 13.541 10.613 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.315 12.091 11.520 1.00 0.00 H new ATOM 239 N GLY A 20 0.769 9.280 9.964 1.00 0.00 N ATOM 240 CA GLY A 20 1.194 7.920 9.717 1.00 0.00 C ATOM 241 C GLY A 20 0.848 7.499 8.295 1.00 0.00 C ATOM 242 O GLY A 20 1.712 6.998 7.572 1.00 0.00 O ATOM 0 H GLY A 20 0.023 9.349 10.656 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.269 7.835 9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.713 7.248 10.428 1.00 0.00 H new ATOM 246 N GLU A 21 -0.406 7.710 7.899 1.00 0.00 N ATOM 247 CA GLU A 21 -0.891 7.497 6.545 1.00 0.00 C ATOM 248 C GLU A 21 -0.140 8.392 5.553 1.00 0.00 C ATOM 249 O GLU A 21 0.404 7.867 4.585 1.00 0.00 O ATOM 250 CB GLU A 21 -2.410 7.718 6.490 1.00 0.00 C ATOM 251 CG GLU A 21 -3.206 6.469 6.888 1.00 0.00 C ATOM 252 CD GLU A 21 -3.011 5.967 8.318 1.00 0.00 C ATOM 253 OE1 GLU A 21 -3.160 6.761 9.268 1.00 0.00 O ATOM 254 OE2 GLU A 21 -2.728 4.756 8.502 1.00 0.00 O ATOM 0 H GLU A 21 -1.131 8.044 8.534 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.696 6.465 6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.677 8.541 7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.693 8.018 5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.266 6.678 6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.942 5.663 6.204 1.00 0.00 H new ATOM 261 N VAL A 22 -0.038 9.703 5.807 1.00 0.00 N ATOM 262 CA VAL A 22 0.669 10.660 4.943 1.00 0.00 C ATOM 263 C VAL A 22 2.091 10.177 4.666 1.00 0.00 C ATOM 264 O VAL A 22 2.486 10.102 3.508 1.00 0.00 O ATOM 265 CB VAL A 22 0.668 12.071 5.569 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.553 13.085 4.826 1.00 0.00 C ATOM 267 CG2 VAL A 22 -0.750 12.646 5.614 1.00 0.00 C ATOM 0 H VAL A 22 -0.451 10.137 6.633 1.00 0.00 H new ATOM 0 HA VAL A 22 0.142 10.722 3.991 1.00 0.00 H new ATOM 0 HB VAL A 22 1.076 11.930 6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.499 14.051 5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.585 12.735 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.204 13.189 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.725 13.641 6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.148 12.711 4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.387 11.996 6.213 1.00 0.00 H new ATOM 277 N LYS A 23 2.850 9.806 5.703 1.00 0.00 N ATOM 278 CA LYS A 23 4.214 9.303 5.553 1.00 0.00 C ATOM 279 C LYS A 23 4.258 8.141 4.573 1.00 0.00 C ATOM 280 O LYS A 23 5.109 8.090 3.694 1.00 0.00 O ATOM 281 CB LYS A 23 4.729 8.895 6.937 1.00 0.00 C ATOM 282 CG LYS A 23 6.202 8.451 6.948 1.00 0.00 C ATOM 283 CD LYS A 23 6.388 6.921 6.882 1.00 0.00 C ATOM 284 CE LYS A 23 7.135 6.486 5.620 1.00 0.00 C ATOM 285 NZ LYS A 23 7.301 5.020 5.535 1.00 0.00 N ATOM 0 H LYS A 23 2.532 9.847 6.671 1.00 0.00 H new ATOM 0 HA LYS A 23 4.858 10.081 5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.608 9.735 7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.112 8.082 7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.716 8.908 6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.679 8.828 7.853 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.937 6.585 7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.412 6.436 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.593 6.838 4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.116 6.961 5.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.459 4.745 4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.118 4.729 6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.443 4.552 5.891 1.00 0.00 H new ATOM 299 N ALA A 24 3.373 7.174 4.765 1.00 0.00 N ATOM 300 CA ALA A 24 3.258 6.019 3.902 1.00 0.00 C ATOM 301 C ALA A 24 2.874 6.401 2.466 1.00 0.00 C ATOM 302 O ALA A 24 3.469 5.852 1.544 1.00 0.00 O ATOM 303 CB ALA A 24 2.293 5.018 4.528 1.00 0.00 C ATOM 0 H ALA A 24 2.707 7.174 5.538 1.00 0.00 H new ATOM 0 HA ALA A 24 4.235 5.544 3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.203 4.146 3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.671 4.709 5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.314 5.483 4.649 1.00 0.00 H new ATOM 309 N LEU A 25 1.940 7.336 2.240 1.00 0.00 N ATOM 310 CA LEU A 25 1.651 7.818 0.880 1.00 0.00 C ATOM 311 C LEU A 25 2.915 8.428 0.269 1.00 0.00 C ATOM 312 O LEU A 25 3.245 8.162 -0.882 1.00 0.00 O ATOM 313 CB LEU A 25 0.556 8.900 0.879 1.00 0.00 C ATOM 314 CG LEU A 25 0.134 9.320 -0.544 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.051 8.525 -1.100 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.210 10.806 -0.505 1.00 0.00 C ATOM 0 H LEU A 25 1.377 7.770 2.972 1.00 0.00 H new ATOM 0 HA LEU A 25 1.307 6.962 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.316 8.529 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.916 9.775 1.420 1.00 0.00 H new ATOM 0 HG LEU A 25 0.967 9.111 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.288 8.879 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.793 7.467 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.917 8.663 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.513 11.135 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.027 10.972 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.664 11.374 -0.186 1.00 0.00 H new ATOM 328 N ASP A 26 3.614 9.250 1.051 1.00 0.00 N ATOM 329 CA ASP A 26 4.762 10.023 0.604 1.00 0.00 C ATOM 330 C ASP A 26 5.878 9.130 0.143 1.00 0.00 C ATOM 331 O ASP A 26 6.580 9.440 -0.814 1.00 0.00 O ATOM 332 CB ASP A 26 5.336 10.829 1.770 1.00 0.00 C ATOM 333 CG ASP A 26 6.299 11.901 1.296 1.00 0.00 C ATOM 334 OD1 ASP A 26 5.941 12.687 0.388 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.430 11.947 1.834 1.00 0.00 O ATOM 0 H ASP A 26 3.389 9.397 2.035 1.00 0.00 H new ATOM 0 HA ASP A 26 4.412 10.661 -0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.522 11.293 2.327 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.850 10.157 2.458 1.00 0.00 H new ATOM 340 N ASP A 27 6.083 8.065 0.908 1.00 0.00 N ATOM 341 CA ASP A 27 7.161 7.130 0.724 1.00 0.00 C ATOM 342 C ASP A 27 6.842 6.265 -0.496 1.00 0.00 C ATOM 343 O ASP A 27 7.665 6.108 -1.397 1.00 0.00 O ATOM 344 CB ASP A 27 7.260 6.285 2.003 1.00 0.00 C ATOM 345 CG ASP A 27 8.342 5.207 2.069 1.00 0.00 C ATOM 346 OD1 ASP A 27 9.268 5.123 1.235 1.00 0.00 O ATOM 347 OD2 ASP A 27 8.261 4.416 3.038 1.00 0.00 O ATOM 0 H ASP A 27 5.479 7.830 1.695 1.00 0.00 H new ATOM 0 HA ASP A 27 8.115 7.628 0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.414 6.965 2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.296 5.801 2.159 1.00 0.00 H new ATOM 352 N PHE A 28 5.590 5.785 -0.555 1.00 0.00 N ATOM 353 CA PHE A 28 5.034 5.049 -1.677 1.00 0.00 C ATOM 354 C PHE A 28 5.236 5.824 -2.966 1.00 0.00 C ATOM 355 O PHE A 28 5.855 5.305 -3.891 1.00 0.00 O ATOM 356 CB PHE A 28 3.545 4.740 -1.445 1.00 0.00 C ATOM 357 CG PHE A 28 2.901 4.071 -2.641 1.00 0.00 C ATOM 358 CD1 PHE A 28 2.999 2.678 -2.797 1.00 0.00 C ATOM 359 CD2 PHE A 28 2.293 4.847 -3.648 1.00 0.00 C ATOM 360 CE1 PHE A 28 2.524 2.072 -3.969 1.00 0.00 C ATOM 361 CE2 PHE A 28 1.835 4.233 -4.825 1.00 0.00 C ATOM 362 CZ PHE A 28 1.950 2.844 -4.988 1.00 0.00 C ATOM 0 H PHE A 28 4.923 5.908 0.207 1.00 0.00 H new ATOM 0 HA PHE A 28 5.560 4.098 -1.763 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.442 4.095 -0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.015 5.666 -1.221 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.439 2.075 -2.016 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.179 5.913 -3.515 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.601 1.001 -4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.393 4.832 -5.607 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.598 2.373 -5.894 1.00 0.00 H new ATOM 372 N TYR A 29 4.718 7.051 -3.042 1.00 0.00 N ATOM 373 CA TYR A 29 4.792 7.821 -4.268 1.00 0.00 C ATOM 374 C TYR A 29 6.204 8.145 -4.670 1.00 0.00 C ATOM 375 O TYR A 29 6.483 8.151 -5.862 1.00 0.00 O ATOM 376 CB TYR A 29 4.095 9.156 -4.110 1.00 0.00 C ATOM 377 CG TYR A 29 2.642 9.117 -4.444 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.187 8.412 -5.573 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.775 9.902 -3.684 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.851 8.503 -5.955 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.435 10.017 -4.083 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.038 9.323 -5.223 1.00 0.00 C ATOM 383 OH TYR A 29 -1.326 9.478 -5.624 1.00 0.00 O ATOM 0 H TYR A 29 4.247 7.524 -2.270 1.00 0.00 H new ATOM 0 HA TYR A 29 4.318 7.194 -5.024 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.213 9.498 -3.082 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.586 9.890 -4.749 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.872 7.802 -6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.130 10.414 -2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.494 7.948 -6.810 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.241 10.640 -3.516 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.923 9.040 -4.982 1.00 0.00 H new ATOM 393 N LYS A 30 7.070 8.438 -3.703 1.00 0.00 N ATOM 394 CA LYS A 30 8.482 8.631 -3.981 1.00 0.00 C ATOM 395 C LYS A 30 8.968 7.452 -4.805 1.00 0.00 C ATOM 396 O LYS A 30 9.445 7.630 -5.920 1.00 0.00 O ATOM 397 CB LYS A 30 9.277 8.775 -2.675 1.00 0.00 C ATOM 398 CG LYS A 30 10.198 9.986 -2.783 1.00 0.00 C ATOM 399 CD LYS A 30 10.986 10.321 -1.513 1.00 0.00 C ATOM 400 CE LYS A 30 10.186 11.210 -0.554 1.00 0.00 C ATOM 401 NZ LYS A 30 9.142 10.479 0.190 1.00 0.00 N ATOM 0 H LYS A 30 6.814 8.546 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 30 8.634 9.552 -4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.597 8.894 -1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.861 7.874 -2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.905 9.814 -3.595 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.600 10.854 -3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.262 9.397 -1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.913 10.825 -1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.871 11.674 0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.721 12.016 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.875 11.021 1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.308 10.352 -0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.507 9.548 0.476 1.00 0.00 H new ATOM 415 N MET A 31 8.782 6.240 -4.296 1.00 0.00 N ATOM 416 CA MET A 31 9.248 5.087 -5.026 1.00 0.00 C ATOM 417 C MET A 31 8.439 4.859 -6.313 1.00 0.00 C ATOM 418 O MET A 31 9.019 4.421 -7.296 1.00 0.00 O ATOM 419 CB MET A 31 9.313 3.889 -4.083 1.00 0.00 C ATOM 420 CG MET A 31 10.274 2.851 -4.656 1.00 0.00 C ATOM 421 SD MET A 31 11.332 2.014 -3.436 1.00 0.00 S ATOM 422 CE MET A 31 10.108 1.444 -2.235 1.00 0.00 C ATOM 0 H MET A 31 8.325 6.041 -3.406 1.00 0.00 H new ATOM 0 HA MET A 31 10.263 5.255 -5.387 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.648 4.206 -3.095 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.321 3.454 -3.959 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.693 2.097 -5.187 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.913 3.339 -5.392 1.00 0.00 H new ATOM 0 HE1 MET A 31 10.461 0.527 -1.763 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.960 2.211 -1.474 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.163 1.250 -2.743 1.00 0.00 H new ATOM 432 N LEU A 32 7.154 5.221 -6.379 1.00 0.00 N ATOM 433 CA LEU A 32 6.352 5.175 -7.607 1.00 0.00 C ATOM 434 C LEU A 32 6.963 6.056 -8.709 1.00 0.00 C ATOM 435 O LEU A 32 7.079 5.633 -9.860 1.00 0.00 O ATOM 436 CB LEU A 32 4.886 5.571 -7.318 1.00 0.00 C ATOM 437 CG LEU A 32 3.943 5.155 -8.457 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.531 3.698 -8.285 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.672 6.007 -8.452 1.00 0.00 C ATOM 0 H LEU A 32 6.634 5.559 -5.570 1.00 0.00 H new ATOM 0 HA LEU A 32 6.357 4.148 -7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.561 5.103 -6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.824 6.649 -7.171 1.00 0.00 H new ATOM 0 HG LEU A 32 4.477 5.296 -9.397 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.862 3.411 -9.097 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.418 3.064 -8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.018 3.575 -7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.020 5.693 -9.268 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.152 5.879 -7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.937 7.056 -8.582 1.00 0.00 H new ATOM 451 N GLN A 33 7.381 7.272 -8.355 1.00 0.00 N ATOM 452 CA GLN A 33 7.994 8.255 -9.243 1.00 0.00 C ATOM 453 C GLN A 33 9.350 7.779 -9.773 1.00 0.00 C ATOM 454 O GLN A 33 9.798 8.272 -10.809 1.00 0.00 O ATOM 455 CB GLN A 33 8.213 9.568 -8.467 1.00 0.00 C ATOM 456 CG GLN A 33 6.920 10.312 -8.071 1.00 0.00 C ATOM 457 CD GLN A 33 6.573 11.485 -8.988 1.00 0.00 C ATOM 458 OE1 GLN A 33 7.441 12.215 -9.459 1.00 0.00 O ATOM 459 NE2 GLN A 33 5.307 11.710 -9.288 1.00 0.00 N ATOM 0 H GLN A 33 7.297 7.612 -7.397 1.00 0.00 H new ATOM 0 HA GLN A 33 7.323 8.401 -10.089 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.780 9.348 -7.562 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.827 10.234 -9.074 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.091 9.605 -8.073 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.023 10.680 -7.050 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.577 11.110 -8.903 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.059 12.483 -9.905 1.00 0.00 H new ATOM 468 N HIS A 34 10.021 6.874 -9.057 1.00 0.00 N ATOM 469 CA HIS A 34 11.442 6.621 -9.237 1.00 0.00 C ATOM 470 C HIS A 34 11.744 5.194 -9.687 1.00 0.00 C ATOM 471 O HIS A 34 12.601 5.019 -10.552 1.00 0.00 O ATOM 472 CB HIS A 34 12.171 6.969 -7.938 1.00 0.00 C ATOM 473 CG HIS A 34 12.092 8.435 -7.560 1.00 0.00 C ATOM 474 ND1 HIS A 34 11.943 8.937 -6.296 1.00 0.00 N flip ATOM 475 CD2 HIS A 34 12.085 9.511 -8.420 1.00 0.00 C flip ATOM 476 CE1 HIS A 34 11.864 10.330 -6.387 1.00 0.00 C flip ATOM 477 NE2 HIS A 34 11.963 10.630 -7.689 1.00 0.00 N flip ATOM 0 H HIS A 34 9.588 6.297 -8.336 1.00 0.00 H new ATOM 0 HA HIS A 34 11.803 7.257 -10.045 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.752 6.372 -7.128 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.219 6.685 -8.034 1.00 0.00 H new ATOM 0 HD2 HIS A 34 12.164 9.463 -9.496 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.746 11.026 -5.570 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.948 11.576 -8.071 1.00 0.00 H new ATOM 485 N GLU A 35 11.076 4.183 -9.133 1.00 0.00 N ATOM 486 CA GLU A 35 11.132 2.783 -9.541 1.00 0.00 C ATOM 487 C GLU A 35 9.828 2.078 -9.101 1.00 0.00 C ATOM 488 O GLU A 35 9.780 1.444 -8.041 1.00 0.00 O ATOM 489 CB GLU A 35 12.416 2.092 -9.037 1.00 0.00 C ATOM 490 CG GLU A 35 12.728 2.211 -7.533 1.00 0.00 C ATOM 491 CD GLU A 35 14.062 1.574 -7.135 1.00 0.00 C ATOM 492 OE1 GLU A 35 14.755 0.951 -7.975 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.453 1.698 -5.953 1.00 0.00 O ATOM 0 H GLU A 35 10.447 4.329 -8.344 1.00 0.00 H new ATOM 0 HA GLU A 35 11.192 2.715 -10.627 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.352 1.033 -9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.261 2.500 -9.592 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.740 3.265 -7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.926 1.740 -6.965 1.00 0.00 H new ATOM 500 N PRO A 36 8.741 2.172 -9.891 1.00 0.00 N ATOM 501 CA PRO A 36 7.432 1.655 -9.504 1.00 0.00 C ATOM 502 C PRO A 36 7.401 0.130 -9.327 1.00 0.00 C ATOM 503 O PRO A 36 6.426 -0.394 -8.790 1.00 0.00 O ATOM 504 CB PRO A 36 6.441 2.158 -10.560 1.00 0.00 C ATOM 505 CG PRO A 36 7.311 2.460 -11.777 1.00 0.00 C ATOM 506 CD PRO A 36 8.658 2.848 -11.174 1.00 0.00 C ATOM 0 HA PRO A 36 7.160 2.022 -8.514 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.686 1.406 -10.787 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.912 3.048 -10.218 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.400 1.592 -12.430 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.893 3.269 -12.377 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.477 2.546 -11.826 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.731 3.928 -11.050 1.00 0.00 H new ATOM 514 N ASP A 37 8.466 -0.597 -9.673 1.00 0.00 N ATOM 515 CA ASP A 37 8.631 -2.008 -9.334 1.00 0.00 C ATOM 516 C ASP A 37 8.588 -2.232 -7.821 1.00 0.00 C ATOM 517 O ASP A 37 8.286 -3.345 -7.392 1.00 0.00 O ATOM 518 CB ASP A 37 9.939 -2.594 -9.895 1.00 0.00 C ATOM 519 CG ASP A 37 9.972 -2.602 -11.421 1.00 0.00 C ATOM 520 OD1 ASP A 37 9.889 -1.519 -12.032 1.00 0.00 O ATOM 521 OD2 ASP A 37 9.998 -3.701 -12.022 1.00 0.00 O ATOM 0 H ASP A 37 9.248 -0.214 -10.204 1.00 0.00 H new ATOM 0 HA ASP A 37 7.793 -2.527 -9.798 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.783 -2.014 -9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.064 -3.613 -9.527 1.00 0.00 H new ATOM 526 N ARG A 38 8.846 -1.217 -6.986 1.00 0.00 N ATOM 527 CA ARG A 38 8.689 -1.337 -5.533 1.00 0.00 C ATOM 528 C ARG A 38 7.417 -0.655 -5.017 1.00 0.00 C ATOM 529 O ARG A 38 7.244 -0.553 -3.799 1.00 0.00 O ATOM 530 CB ARG A 38 9.945 -0.853 -4.800 1.00 0.00 C ATOM 531 CG ARG A 38 11.174 -1.730 -5.085 1.00 0.00 C ATOM 532 CD ARG A 38 12.388 -1.400 -4.209 1.00 0.00 C ATOM 533 NE ARG A 38 12.103 -1.453 -2.762 1.00 0.00 N ATOM 534 CZ ARG A 38 12.897 -0.973 -1.795 1.00 0.00 C ATOM 535 NH1 ARG A 38 14.119 -0.523 -2.059 1.00 0.00 N ATOM 536 NH2 ARG A 38 12.445 -0.953 -0.548 1.00 0.00 N ATOM 0 H ARG A 38 9.166 -0.299 -7.295 1.00 0.00 H new ATOM 0 HA ARG A 38 8.567 -2.397 -5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.160 0.174 -5.096 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.753 -0.842 -3.727 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.904 -2.776 -4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.453 -1.618 -6.133 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.192 -2.099 -4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.749 -0.404 -4.464 1.00 0.00 H new ATOM 0 HE ARG A 38 11.228 -1.892 -2.474 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.472 -0.538 -3.016 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.704 -0.163 -1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.508 -1.299 -0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.034 -0.592 0.202 1.00 0.00 H new ATOM 550 N ALA A 39 6.517 -0.209 -5.895 1.00 0.00 N ATOM 551 CA ALA A 39 5.296 0.494 -5.535 1.00 0.00 C ATOM 552 C ALA A 39 4.130 -0.055 -6.361 1.00 0.00 C ATOM 553 O ALA A 39 3.860 0.385 -7.479 1.00 0.00 O ATOM 554 CB ALA A 39 5.529 2.002 -5.706 1.00 0.00 C ATOM 0 H ALA A 39 6.625 -0.333 -6.902 1.00 0.00 H new ATOM 0 HA ALA A 39 5.029 0.331 -4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.621 2.543 -5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.345 2.320 -5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.787 2.215 -6.743 1.00 0.00 H new ATOM 560 N PHE A 40 3.438 -1.042 -5.791 1.00 0.00 N ATOM 561 CA PHE A 40 2.363 -1.790 -6.432 1.00 0.00 C ATOM 562 C PHE A 40 1.051 -1.111 -6.073 1.00 0.00 C ATOM 563 O PHE A 40 0.901 -0.630 -4.940 1.00 0.00 O ATOM 564 CB PHE A 40 2.350 -3.212 -5.843 1.00 0.00 C ATOM 565 CG PHE A 40 3.143 -4.263 -6.576 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.229 -3.885 -7.379 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.756 -5.617 -6.487 1.00 0.00 C ATOM 568 CE1 PHE A 40 4.826 -4.843 -8.205 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.411 -6.599 -7.257 1.00 0.00 C ATOM 570 CZ PHE A 40 4.426 -6.194 -8.145 1.00 0.00 C ATOM 0 H PHE A 40 3.619 -1.351 -4.836 1.00 0.00 H new ATOM 0 HA PHE A 40 2.500 -1.827 -7.513 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.723 -3.158 -4.820 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.314 -3.546 -5.788 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.598 -2.870 -7.360 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.952 -5.903 -5.824 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.601 -4.545 -8.896 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.140 -7.641 -7.168 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.901 -6.923 -8.785 1.00 0.00 H new ATOM 580 N TYR A 41 0.072 -1.099 -6.975 1.00 0.00 N ATOM 581 CA TYR A 41 -1.270 -0.677 -6.613 1.00 0.00 C ATOM 582 C TYR A 41 -2.361 -1.516 -7.271 1.00 0.00 C ATOM 583 O TYR A 41 -2.130 -2.190 -8.275 1.00 0.00 O ATOM 584 CB TYR A 41 -1.413 0.811 -6.900 1.00 0.00 C ATOM 585 CG TYR A 41 -1.831 1.106 -8.319 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.930 1.013 -9.394 1.00 0.00 C ATOM 587 CD2 TYR A 41 -3.181 1.377 -8.558 1.00 0.00 C ATOM 588 CE1 TYR A 41 -1.395 1.194 -10.710 1.00 0.00 C ATOM 589 CE2 TYR A 41 -3.643 1.609 -9.856 1.00 0.00 C ATOM 590 CZ TYR A 41 -2.758 1.499 -10.943 1.00 0.00 C ATOM 591 OH TYR A 41 -3.260 1.665 -12.195 1.00 0.00 O ATOM 0 H TYR A 41 0.185 -1.374 -7.951 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.411 -0.845 -5.545 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.147 1.237 -6.216 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.463 1.306 -6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.114 0.804 -9.211 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.874 1.407 -7.731 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.713 1.100 -11.542 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.677 1.872 -10.024 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.217 1.868 -12.139 1.00 0.00 H new ATOM 601 N GLY A 42 -3.576 -1.414 -6.733 1.00 0.00 N ATOM 602 CA GLY A 42 -4.708 -2.212 -7.172 1.00 0.00 C ATOM 603 C GLY A 42 -4.596 -3.625 -6.607 1.00 0.00 C ATOM 604 O GLY A 42 -3.516 -4.221 -6.575 1.00 0.00 O ATOM 0 H GLY A 42 -3.798 -0.769 -5.975 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.639 -1.751 -6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.739 -2.248 -8.261 1.00 0.00 H new ATOM 608 N LEU A 43 -5.734 -4.168 -6.175 1.00 0.00 N ATOM 609 CA LEU A 43 -5.894 -5.435 -5.464 1.00 0.00 C ATOM 610 C LEU A 43 -5.039 -6.549 -6.069 1.00 0.00 C ATOM 611 O LEU A 43 -4.273 -7.188 -5.360 1.00 0.00 O ATOM 612 CB LEU A 43 -7.393 -5.792 -5.461 1.00 0.00 C ATOM 613 CG LEU A 43 -7.737 -7.175 -4.876 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.391 -7.270 -3.390 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.235 -7.435 -5.055 1.00 0.00 C ATOM 0 H LEU A 43 -6.629 -3.702 -6.323 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.540 -5.326 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.930 -5.032 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.763 -5.746 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.145 -7.920 -5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.650 -8.262 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.323 -7.099 -3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.953 -6.517 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.486 -8.412 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.803 -6.665 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.484 -7.413 -6.116 1.00 0.00 H new ATOM 627 N LYS A 44 -5.131 -6.747 -7.384 1.00 0.00 N ATOM 628 CA LYS A 44 -4.381 -7.702 -8.178 1.00 0.00 C ATOM 629 C LYS A 44 -2.889 -7.641 -7.865 1.00 0.00 C ATOM 630 O LYS A 44 -2.293 -8.690 -7.617 1.00 0.00 O ATOM 631 CB LYS A 44 -4.756 -7.403 -9.624 1.00 0.00 C ATOM 632 CG LYS A 44 -3.711 -7.749 -10.664 1.00 0.00 C ATOM 633 CD LYS A 44 -3.473 -9.206 -11.081 1.00 0.00 C ATOM 634 CE LYS A 44 -2.371 -9.864 -10.261 1.00 0.00 C ATOM 635 NZ LYS A 44 -1.811 -11.063 -10.905 1.00 0.00 N ATOM 0 H LYS A 44 -5.778 -6.204 -7.956 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.630 -8.738 -7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.671 -7.946 -9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.986 -6.341 -9.707 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.962 -7.194 -11.568 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.759 -7.359 -10.304 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.398 -9.772 -10.965 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.208 -9.242 -12.138 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.572 -9.142 -10.092 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.767 -10.136 -9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.067 -11.466 -10.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.564 -11.767 -11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.406 -10.804 -11.827 1.00 0.00 H new ATOM 649 N GLN A 45 -2.270 -6.463 -7.926 1.00 0.00 N ATOM 650 CA GLN A 45 -0.830 -6.371 -7.773 1.00 0.00 C ATOM 651 C GLN A 45 -0.481 -6.718 -6.334 1.00 0.00 C ATOM 652 O GLN A 45 0.330 -7.597 -6.077 1.00 0.00 O ATOM 653 CB GLN A 45 -0.310 -4.982 -8.151 1.00 0.00 C ATOM 654 CG GLN A 45 -0.608 -4.653 -9.614 1.00 0.00 C ATOM 655 CD GLN A 45 0.181 -3.447 -10.119 1.00 0.00 C ATOM 656 OE1 GLN A 45 0.696 -2.632 -9.355 1.00 0.00 O ATOM 657 NE2 GLN A 45 0.342 -3.355 -11.425 1.00 0.00 N ATOM 0 H GLN A 45 -2.742 -5.572 -8.079 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.347 -7.074 -8.451 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.770 -4.232 -7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.765 -4.935 -7.978 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.374 -5.520 -10.232 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.674 -4.458 -9.729 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.093 -4.041 -12.042 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.902 -2.598 -11.818 1.00 0.00 H new ATOM 666 N VAL A 46 -1.114 -6.045 -5.387 1.00 0.00 N ATOM 667 CA VAL A 46 -0.937 -6.253 -3.961 1.00 0.00 C ATOM 668 C VAL A 46 -1.073 -7.748 -3.597 1.00 0.00 C ATOM 669 O VAL A 46 -0.224 -8.284 -2.892 1.00 0.00 O ATOM 670 CB VAL A 46 -1.922 -5.349 -3.189 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.469 -5.272 -1.731 1.00 0.00 C ATOM 672 CG2 VAL A 46 -2.102 -3.916 -3.745 1.00 0.00 C ATOM 0 H VAL A 46 -1.790 -5.312 -5.599 1.00 0.00 H new ATOM 0 HA VAL A 46 0.073 -5.968 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.900 -5.816 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.154 -4.637 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.465 -6.272 -1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.464 -4.852 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.815 -3.372 -3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.143 -3.398 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.475 -3.967 -4.768 1.00 0.00 H new ATOM 682 N GLU A 47 -2.073 -8.457 -4.131 1.00 0.00 N ATOM 683 CA GLU A 47 -2.256 -9.899 -3.957 1.00 0.00 C ATOM 684 C GLU A 47 -0.983 -10.685 -4.339 1.00 0.00 C ATOM 685 O GLU A 47 -0.631 -11.664 -3.678 1.00 0.00 O ATOM 686 CB GLU A 47 -3.450 -10.358 -4.823 1.00 0.00 C ATOM 687 CG GLU A 47 -4.847 -10.194 -4.192 1.00 0.00 C ATOM 688 CD GLU A 47 -5.980 -10.793 -5.048 1.00 0.00 C ATOM 689 OE1 GLU A 47 -5.699 -11.441 -6.080 1.00 0.00 O ATOM 690 OE2 GLU A 47 -7.173 -10.696 -4.679 1.00 0.00 O ATOM 0 H GLU A 47 -2.796 -8.031 -4.711 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.456 -10.102 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.429 -9.801 -5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.308 -11.409 -5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.853 -10.670 -3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.043 -9.134 -4.033 1.00 0.00 H new ATOM 697 N LYS A 48 -0.282 -10.260 -5.396 1.00 0.00 N ATOM 698 CA LYS A 48 0.913 -10.897 -5.949 1.00 0.00 C ATOM 699 C LYS A 48 2.135 -10.558 -5.114 1.00 0.00 C ATOM 700 O LYS A 48 2.961 -11.426 -4.848 1.00 0.00 O ATOM 701 CB LYS A 48 1.068 -10.407 -7.405 1.00 0.00 C ATOM 702 CG LYS A 48 2.447 -10.565 -8.042 1.00 0.00 C ATOM 703 CD LYS A 48 2.923 -12.012 -8.106 1.00 0.00 C ATOM 704 CE LYS A 48 4.264 -12.117 -8.833 1.00 0.00 C ATOM 705 NZ LYS A 48 4.103 -12.382 -10.280 1.00 0.00 N ATOM 0 H LYS A 48 -0.548 -9.421 -5.912 1.00 0.00 H new ATOM 0 HA LYS A 48 0.815 -11.982 -5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.346 -10.942 -8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.797 -9.352 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.422 -10.154 -9.051 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.170 -9.977 -7.476 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.021 -12.411 -7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.179 -12.621 -8.619 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.822 -11.191 -8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.856 -12.915 -8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.948 -12.052 -10.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.982 -13.403 -10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.266 -11.877 -10.634 1.00 0.00 H new ATOM 719 N ALA A 49 2.300 -9.307 -4.700 1.00 0.00 N ATOM 720 CA ALA A 49 3.413 -9.011 -3.816 1.00 0.00 C ATOM 721 C ALA A 49 3.230 -9.706 -2.470 1.00 0.00 C ATOM 722 O ALA A 49 4.216 -10.023 -1.803 1.00 0.00 O ATOM 723 CB ALA A 49 3.470 -7.529 -3.528 1.00 0.00 C ATOM 0 H ALA A 49 1.706 -8.516 -4.949 1.00 0.00 H new ATOM 0 HA ALA A 49 4.321 -9.355 -4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.309 -7.319 -2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.601 -6.982 -4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.542 -7.215 -3.050 1.00 0.00 H new ATOM 729 N ASN A 50 1.983 -9.903 -2.034 1.00 0.00 N ATOM 730 CA ASN A 50 1.750 -10.517 -0.743 1.00 0.00 C ATOM 731 C ASN A 50 2.198 -11.975 -0.757 1.00 0.00 C ATOM 732 O ASN A 50 2.813 -12.415 0.212 1.00 0.00 O ATOM 733 CB ASN A 50 0.302 -10.375 -0.288 1.00 0.00 C ATOM 734 CG ASN A 50 0.194 -10.790 1.176 1.00 0.00 C ATOM 735 OD1 ASN A 50 0.979 -10.354 2.011 1.00 0.00 O ATOM 736 ND2 ASN A 50 -0.741 -11.646 1.521 1.00 0.00 N ATOM 0 H ASN A 50 1.141 -9.649 -2.550 1.00 0.00 H new ATOM 0 HA ASN A 50 2.353 -9.982 -0.009 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.031 -9.345 -0.412 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.348 -10.997 -0.904 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.818 -11.953 2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.389 -12.003 0.819 1.00 0.00 H new ATOM 743 N GLU A 51 2.000 -12.677 -1.885 1.00 0.00 N ATOM 744 CA GLU A 51 2.582 -13.997 -2.143 1.00 0.00 C ATOM 745 C GLU A 51 4.097 -13.993 -1.931 1.00 0.00 C ATOM 746 O GLU A 51 4.651 -14.997 -1.483 1.00 0.00 O ATOM 747 CB GLU A 51 2.314 -14.458 -3.595 1.00 0.00 C ATOM 748 CG GLU A 51 0.902 -14.967 -3.837 1.00 0.00 C ATOM 749 CD GLU A 51 0.803 -15.895 -5.056 1.00 0.00 C ATOM 750 OE1 GLU A 51 1.262 -15.518 -6.159 1.00 0.00 O ATOM 751 OE2 GLU A 51 0.235 -17.011 -4.957 1.00 0.00 O ATOM 0 H GLU A 51 1.422 -12.335 -2.652 1.00 0.00 H new ATOM 0 HA GLU A 51 2.108 -14.680 -1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.509 -13.625 -4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.021 -15.247 -3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.557 -15.500 -2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.234 -14.117 -3.978 1.00 0.00 H new ATOM 758 N ALA A 52 4.746 -12.878 -2.273 1.00 0.00 N ATOM 759 CA ALA A 52 6.196 -12.717 -2.291 1.00 0.00 C ATOM 760 C ALA A 52 6.761 -12.379 -0.923 1.00 0.00 C ATOM 761 O ALA A 52 7.979 -12.357 -0.778 1.00 0.00 O ATOM 762 CB ALA A 52 6.625 -11.594 -3.260 1.00 0.00 C ATOM 0 H ALA A 52 4.254 -12.031 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 52 6.590 -13.679 -2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.711 -11.500 -3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.291 -11.837 -4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.176 -10.652 -2.946 1.00 0.00 H new ATOM 768 N MET A 53 5.917 -12.098 0.070 1.00 0.00 N ATOM 769 CA MET A 53 6.344 -11.651 1.392 1.00 0.00 C ATOM 770 C MET A 53 7.218 -10.388 1.289 1.00 0.00 C ATOM 771 O MET A 53 8.241 -10.272 1.964 1.00 0.00 O ATOM 772 CB MET A 53 7.057 -12.771 2.173 1.00 0.00 C ATOM 773 CG MET A 53 6.409 -14.153 2.075 1.00 0.00 C ATOM 774 SD MET A 53 5.245 -14.471 3.394 1.00 0.00 S ATOM 775 CE MET A 53 4.053 -15.450 2.462 1.00 0.00 C ATOM 0 H MET A 53 4.904 -12.176 -0.025 1.00 0.00 H new ATOM 0 HA MET A 53 5.448 -11.393 1.957 1.00 0.00 H new ATOM 0 HB2 MET A 53 8.084 -12.844 1.815 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.105 -12.484 3.224 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.897 -14.242 1.117 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.187 -14.916 2.093 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.236 -15.750 3.118 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.657 -14.855 1.639 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.544 -16.338 2.064 1.00 0.00 H new ATOM 785 N ALA A 54 6.860 -9.474 0.382 1.00 0.00 N ATOM 786 CA ALA A 54 7.632 -8.270 0.083 1.00 0.00 C ATOM 787 C ALA A 54 6.924 -7.001 0.548 1.00 0.00 C ATOM 788 O ALA A 54 7.479 -5.917 0.389 1.00 0.00 O ATOM 789 CB ALA A 54 7.828 -8.200 -1.437 1.00 0.00 C ATOM 0 H ALA A 54 6.009 -9.554 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 54 8.583 -8.329 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.403 -7.309 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.365 -9.086 -1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.856 -8.156 -1.928 1.00 0.00 H new ATOM 795 N ILE A 55 5.681 -7.091 1.015 1.00 0.00 N ATOM 796 CA ILE A 55 4.876 -5.940 1.381 1.00 0.00 C ATOM 797 C ILE A 55 5.334 -5.454 2.756 1.00 0.00 C ATOM 798 O ILE A 55 5.003 -6.062 3.774 1.00 0.00 O ATOM 799 CB ILE A 55 3.375 -6.289 1.314 1.00 0.00 C ATOM 800 CG1 ILE A 55 3.019 -6.703 -0.124 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.538 -5.109 1.856 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.529 -6.676 -0.429 1.00 0.00 C ATOM 0 H ILE A 55 5.202 -7.981 1.150 1.00 0.00 H new ATOM 0 HA ILE A 55 5.015 -5.121 0.676 1.00 0.00 H new ATOM 0 HB ILE A 55 3.139 -7.140 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.533 -6.039 -0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.397 -7.709 -0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.479 -5.361 1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.816 -4.911 2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.728 -4.221 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.364 -6.981 -1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.008 -7.362 0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.146 -5.666 -0.283 1.00 0.00 H new ATOM 814 N ASP A 56 6.065 -4.340 2.765 1.00 0.00 N ATOM 815 CA ASP A 56 6.469 -3.659 3.994 1.00 0.00 C ATOM 816 C ASP A 56 5.284 -2.895 4.573 1.00 0.00 C ATOM 817 O ASP A 56 4.955 -3.072 5.738 1.00 0.00 O ATOM 818 CB ASP A 56 7.618 -2.668 3.757 1.00 0.00 C ATOM 819 CG ASP A 56 7.768 -1.727 4.963 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.250 -2.149 6.041 1.00 0.00 O ATOM 821 OD2 ASP A 56 7.357 -0.552 4.848 1.00 0.00 O ATOM 0 H ASP A 56 6.395 -3.882 1.915 1.00 0.00 H new ATOM 0 HA ASP A 56 6.813 -4.426 4.687 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.548 -3.212 3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.426 -2.087 2.855 1.00 0.00 H new ATOM 826 N THR A 57 4.657 -2.017 3.788 1.00 0.00 N ATOM 827 CA THR A 57 3.638 -1.088 4.265 1.00 0.00 C ATOM 828 C THR A 57 2.489 -1.095 3.258 1.00 0.00 C ATOM 829 O THR A 57 2.713 -0.804 2.088 1.00 0.00 O ATOM 830 CB THR A 57 4.287 0.306 4.450 1.00 0.00 C ATOM 831 OG1 THR A 57 5.082 0.356 5.619 1.00 0.00 O ATOM 832 CG2 THR A 57 3.298 1.461 4.583 1.00 0.00 C ATOM 0 H THR A 57 4.847 -1.932 2.790 1.00 0.00 H new ATOM 0 HA THR A 57 3.230 -1.377 5.233 1.00 0.00 H new ATOM 0 HB THR A 57 4.868 0.430 3.536 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.837 -0.262 5.528 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.845 2.396 4.709 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.683 1.518 3.685 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.659 1.295 5.451 1.00 0.00 H new ATOM 840 N LEU A 58 1.261 -1.368 3.707 1.00 0.00 N ATOM 841 CA LEU A 58 0.049 -1.457 2.890 1.00 0.00 C ATOM 842 C LEU A 58 -0.816 -0.248 3.209 1.00 0.00 C ATOM 843 O LEU A 58 -1.028 0.048 4.381 1.00 0.00 O ATOM 844 CB LEU A 58 -0.708 -2.745 3.268 1.00 0.00 C ATOM 845 CG LEU A 58 -2.159 -2.841 2.746 1.00 0.00 C ATOM 846 CD1 LEU A 58 -2.218 -3.130 1.247 1.00 0.00 C ATOM 847 CD2 LEU A 58 -2.903 -3.940 3.499 1.00 0.00 C ATOM 0 H LEU A 58 1.077 -1.541 4.695 1.00 0.00 H new ATOM 0 HA LEU A 58 0.293 -1.478 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.147 -3.600 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.725 -2.830 4.355 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.631 -1.873 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.259 -3.188 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.716 -2.331 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.722 -4.078 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.926 -4.006 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.399 -4.894 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.916 -3.707 4.564 1.00 0.00 H new ATOM 859 N LEU A 59 -1.316 0.435 2.177 1.00 0.00 N ATOM 860 CA LEU A 59 -2.180 1.607 2.268 1.00 0.00 C ATOM 861 C LEU A 59 -3.517 1.243 1.647 1.00 0.00 C ATOM 862 O LEU A 59 -3.550 0.914 0.463 1.00 0.00 O ATOM 863 CB LEU A 59 -1.608 2.881 1.600 1.00 0.00 C ATOM 864 CG LEU A 59 -0.214 2.846 0.963 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.048 4.137 0.177 1.00 0.00 C ATOM 866 CD2 LEU A 59 0.900 2.722 2.001 1.00 0.00 C ATOM 0 H LEU A 59 -1.119 0.171 1.212 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.275 1.864 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.312 3.186 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.602 3.669 2.354 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.204 1.971 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.042 4.096 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.699 4.242 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.013 4.992 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.866 2.702 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.862 3.575 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.767 1.801 2.569 1.00 0.00 H new ATOM 878 N ILE A 60 -4.610 1.303 2.409 1.00 0.00 N ATOM 879 CA ILE A 60 -5.930 1.073 1.847 1.00 0.00 C ATOM 880 C ILE A 60 -6.886 2.135 2.379 1.00 0.00 C ATOM 881 O ILE A 60 -6.803 2.516 3.552 1.00 0.00 O ATOM 882 CB ILE A 60 -6.341 -0.398 2.090 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.590 -0.723 1.263 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.546 -0.820 3.557 1.00 0.00 C ATOM 885 CD1 ILE A 60 -7.916 -2.213 1.254 1.00 0.00 C ATOM 0 H ILE A 60 -4.602 1.508 3.408 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.949 1.190 0.763 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.481 -0.985 1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.440 -0.171 1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.442 -0.381 0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.831 -1.871 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.618 -0.675 4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.334 -0.213 4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.809 -2.386 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.079 -2.766 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.093 -2.553 2.274 1.00 0.00 H new ATOM 897 N SER A 61 -7.786 2.618 1.523 1.00 0.00 N ATOM 898 CA SER A 61 -8.887 3.485 1.912 1.00 0.00 C ATOM 899 C SER A 61 -9.805 2.702 2.851 1.00 0.00 C ATOM 900 O SER A 61 -10.050 1.507 2.647 1.00 0.00 O ATOM 901 CB SER A 61 -9.597 4.001 0.647 1.00 0.00 C ATOM 902 OG SER A 61 -9.952 5.366 0.764 1.00 0.00 O ATOM 0 H SER A 61 -7.766 2.412 0.524 1.00 0.00 H new ATOM 0 HA SER A 61 -8.540 4.365 2.453 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.945 3.868 -0.216 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.492 3.407 0.465 1.00 0.00 H new ATOM 0 HG SER A 61 -10.399 5.659 -0.057 1.00 0.00 H new ATOM 908 N ASP A 62 -10.268 3.332 3.927 1.00 0.00 N ATOM 909 CA ASP A 62 -11.179 2.723 4.888 1.00 0.00 C ATOM 910 C ASP A 62 -12.446 2.304 4.170 1.00 0.00 C ATOM 911 O ASP A 62 -12.905 1.197 4.383 1.00 0.00 O ATOM 912 CB ASP A 62 -11.446 3.592 6.125 1.00 0.00 C ATOM 913 CG ASP A 62 -12.301 4.843 5.904 1.00 0.00 C ATOM 914 OD1 ASP A 62 -12.228 5.491 4.842 1.00 0.00 O ATOM 915 OD2 ASP A 62 -13.055 5.206 6.835 1.00 0.00 O ATOM 0 H ASP A 62 -10.017 4.293 4.158 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.696 1.836 5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.933 2.974 6.879 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.486 3.902 6.539 1.00 0.00 H new ATOM 920 N GLU A 63 -12.926 3.079 3.208 1.00 0.00 N ATOM 921 CA GLU A 63 -14.068 2.754 2.382 1.00 0.00 C ATOM 922 C GLU A 63 -13.913 1.407 1.655 1.00 0.00 C ATOM 923 O GLU A 63 -14.914 0.730 1.446 1.00 0.00 O ATOM 924 CB GLU A 63 -14.195 3.958 1.432 1.00 0.00 C ATOM 925 CG GLU A 63 -14.782 3.717 0.050 1.00 0.00 C ATOM 926 CD GLU A 63 -16.267 3.348 0.010 1.00 0.00 C ATOM 927 OE1 GLU A 63 -16.999 3.558 1.007 1.00 0.00 O ATOM 928 OE2 GLU A 63 -16.739 2.958 -1.083 1.00 0.00 O ATOM 0 H GLU A 63 -12.512 3.982 2.977 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.977 2.606 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.807 4.712 1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.202 4.388 1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.635 4.616 -0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.216 2.919 -0.430 1.00 0.00 H new ATOM 935 N LEU A 64 -12.693 0.983 1.300 1.00 0.00 N ATOM 936 CA LEU A 64 -12.471 -0.326 0.687 1.00 0.00 C ATOM 937 C LEU A 64 -12.392 -1.393 1.773 1.00 0.00 C ATOM 938 O LEU A 64 -12.976 -2.470 1.646 1.00 0.00 O ATOM 939 CB LEU A 64 -11.194 -0.343 -0.158 1.00 0.00 C ATOM 940 CG LEU A 64 -11.145 0.685 -1.299 1.00 0.00 C ATOM 941 CD1 LEU A 64 -9.889 0.409 -2.117 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.385 0.663 -2.197 1.00 0.00 C ATOM 0 H LEU A 64 -11.844 1.533 1.429 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.310 -0.537 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.341 -0.172 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.074 -1.339 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.125 1.682 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.825 1.124 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.010 0.508 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.932 -0.603 -2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.281 1.414 -2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.488 -0.322 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.270 0.882 -1.600 1.00 0.00 H new ATOM 954 N PHE A 65 -11.699 -1.090 2.873 1.00 0.00 N ATOM 955 CA PHE A 65 -11.719 -1.902 4.082 1.00 0.00 C ATOM 956 C PHE A 65 -13.144 -2.101 4.639 1.00 0.00 C ATOM 957 O PHE A 65 -13.387 -3.039 5.401 1.00 0.00 O ATOM 958 CB PHE A 65 -10.800 -1.214 5.103 1.00 0.00 C ATOM 959 CG PHE A 65 -10.463 -2.013 6.336 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.834 -3.263 6.204 1.00 0.00 C ATOM 961 CD2 PHE A 65 -10.781 -1.504 7.609 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.640 -4.073 7.336 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.584 -2.316 8.741 1.00 0.00 C ATOM 964 CZ PHE A 65 -10.046 -3.610 8.601 1.00 0.00 C ATOM 0 H PHE A 65 -11.104 -0.265 2.946 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.362 -2.907 3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.869 -0.947 4.602 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.272 -0.283 5.416 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.500 -3.601 5.234 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.171 -0.503 7.716 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.182 -5.046 7.235 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.846 -1.946 9.721 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.945 -4.248 9.466 1.00 0.00 H new ATOM 974 N ARG A 66 -14.098 -1.255 4.243 1.00 0.00 N ATOM 975 CA ARG A 66 -15.498 -1.202 4.649 1.00 0.00 C ATOM 976 C ARG A 66 -16.405 -1.318 3.414 1.00 0.00 C ATOM 977 O ARG A 66 -17.532 -0.823 3.450 1.00 0.00 O ATOM 978 CB ARG A 66 -15.749 0.120 5.412 1.00 0.00 C ATOM 979 CG ARG A 66 -14.761 0.407 6.565 1.00 0.00 C ATOM 980 CD ARG A 66 -15.426 0.677 7.907 1.00 0.00 C ATOM 981 NE ARG A 66 -16.005 -0.536 8.498 1.00 0.00 N ATOM 982 CZ ARG A 66 -17.298 -0.858 8.598 1.00 0.00 C ATOM 983 NH1 ARG A 66 -18.264 -0.065 8.140 1.00 0.00 N ATOM 984 NH2 ARG A 66 -17.630 -2.005 9.174 1.00 0.00 N ATOM 0 H ARG A 66 -13.886 -0.522 3.566 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.731 -2.036 5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.705 0.946 4.702 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.761 0.102 5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.088 -0.444 6.671 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.148 1.267 6.297 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.693 1.099 8.595 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.209 1.424 7.778 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.342 -1.212 8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.028 0.822 7.695 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -19.241 -0.344 8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.903 -2.625 9.532 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.612 -2.267 9.259 1.00 0.00 H new ATOM 998 N HIS A 67 -15.920 -1.913 2.311 1.00 0.00 N ATOM 999 CA HIS A 67 -16.640 -1.895 1.037 1.00 0.00 C ATOM 1000 C HIS A 67 -18.039 -2.482 1.219 1.00 0.00 C ATOM 1001 O HIS A 67 -18.234 -3.448 1.960 1.00 0.00 O ATOM 1002 CB HIS A 67 -15.860 -2.614 -0.077 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.454 -2.380 -1.444 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.627 -2.960 -1.918 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -15.981 -1.518 -2.388 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.863 -2.414 -3.118 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.900 -1.528 -3.417 1.00 0.00 N ATOM 0 H HIS A 67 -15.031 -2.412 2.281 1.00 0.00 H new ATOM 0 HA HIS A 67 -16.740 -0.857 0.718 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -14.825 -2.271 -0.071 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -15.842 -3.684 0.129 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.069 -0.942 -2.340 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.704 -2.652 -3.752 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.855 -0.958 -4.262 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.022 -1.876 0.561 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.428 -2.224 0.679 1.00 0.00 C ATOM 1017 C GLN A 68 -20.712 -3.678 0.280 1.00 0.00 C ATOM 1018 O GLN A 68 -21.573 -4.317 0.885 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.256 -1.218 -0.135 1.00 0.00 C ATOM 1020 CG GLN A 68 -20.859 -1.090 -1.616 1.00 0.00 C ATOM 1021 CD GLN A 68 -21.625 0.048 -2.277 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -21.071 1.121 -2.520 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -22.905 -0.150 -2.533 1.00 0.00 N ATOM 0 H GLN A 68 -18.854 -1.107 -0.088 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.721 -2.160 1.727 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.306 -1.507 -0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.170 -0.238 0.334 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -19.787 -0.910 -1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -21.065 -2.025 -2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -23.334 -1.050 -2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -23.465 0.597 -2.944 1.00 0.00 H new ATOM 1032 N ASP A 69 -20.013 -4.213 -0.719 1.00 0.00 N ATOM 1033 CA ASP A 69 -20.089 -5.611 -1.122 1.00 0.00 C ATOM 1034 C ASP A 69 -19.242 -6.437 -0.169 1.00 0.00 C ATOM 1035 O ASP A 69 -18.039 -6.198 -0.052 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.473 -5.811 -2.504 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.419 -7.282 -2.925 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -20.165 -8.133 -2.383 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -18.507 -7.602 -3.716 1.00 0.00 O ATOM 0 H ASP A 69 -19.361 -3.669 -1.284 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.138 -5.906 -1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.050 -5.249 -3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.464 -5.399 -2.509 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.819 -7.459 0.453 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.058 -8.369 1.285 1.00 0.00 C ATOM 1046 C VAL A 70 -17.956 -9.059 0.483 1.00 0.00 C ATOM 1047 O VAL A 70 -16.882 -9.212 1.041 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.002 -9.357 1.990 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.261 -10.382 2.855 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -20.940 -8.552 2.894 1.00 0.00 C ATOM 0 H VAL A 70 -20.814 -7.674 0.393 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.550 -7.802 2.065 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.539 -9.910 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -19.982 -11.050 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.582 -10.963 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.691 -9.863 3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.622 -9.230 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.353 -8.002 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.514 -7.850 2.289 1.00 0.00 H new ATOM 1060 N ALA A 71 -18.143 -9.454 -0.783 1.00 0.00 N ATOM 1061 CA ALA A 71 -17.097 -10.181 -1.519 1.00 0.00 C ATOM 1062 C ALA A 71 -15.876 -9.291 -1.801 1.00 0.00 C ATOM 1063 O ALA A 71 -14.747 -9.647 -1.463 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.646 -10.789 -2.815 1.00 0.00 C ATOM 0 H ALA A 71 -18.997 -9.286 -1.315 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.765 -10.999 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.848 -11.319 -3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.450 -11.486 -2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.031 -9.995 -3.455 1.00 0.00 H new ATOM 1070 N THR A 72 -16.097 -8.119 -2.380 1.00 0.00 N ATOM 1071 CA THR A 72 -15.099 -7.078 -2.647 1.00 0.00 C ATOM 1072 C THR A 72 -14.439 -6.701 -1.329 1.00 0.00 C ATOM 1073 O THR A 72 -13.217 -6.795 -1.216 1.00 0.00 O ATOM 1074 CB THR A 72 -15.797 -5.875 -3.305 1.00 0.00 C ATOM 1075 OG1 THR A 72 -16.433 -6.274 -4.504 1.00 0.00 O ATOM 1076 CG2 THR A 72 -14.938 -4.660 -3.629 1.00 0.00 C ATOM 0 H THR A 72 -17.028 -7.848 -2.696 1.00 0.00 H new ATOM 0 HA THR A 72 -14.327 -7.431 -3.331 1.00 0.00 H new ATOM 0 HB THR A 72 -16.492 -5.550 -2.531 1.00 0.00 H new ATOM 0 HG1 THR A 72 -17.314 -6.649 -4.298 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.557 -3.889 -4.088 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.496 -4.272 -2.711 1.00 0.00 H new ATOM 0 HG23 THR A 72 -14.146 -4.948 -4.320 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.228 -6.365 -0.300 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.662 -6.145 1.028 1.00 0.00 C ATOM 1086 C ARG A 73 -13.796 -7.322 1.476 1.00 0.00 C ATOM 1087 O ARG A 73 -12.696 -7.095 1.971 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.775 -5.864 2.042 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.163 -5.302 3.321 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.231 -4.985 4.360 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.612 -4.715 5.666 1.00 0.00 N ATOM 1092 CZ ARG A 73 -15.924 -5.269 6.839 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -16.834 -6.235 6.910 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -15.316 -4.857 7.943 1.00 0.00 N ATOM 0 H ARG A 73 -16.239 -6.243 -0.362 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.013 -5.271 0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.491 -5.155 1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.324 -6.780 2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.455 -6.021 3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.600 -4.398 3.089 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.813 -4.120 4.041 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.924 -5.822 4.445 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.859 -4.027 5.676 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.301 -6.559 6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.066 -6.652 7.811 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.613 -4.120 7.893 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.551 -5.278 8.842 1.00 0.00 H new ATOM 1108 N SER A 74 -14.269 -8.561 1.319 1.00 0.00 N ATOM 1109 CA SER A 74 -13.611 -9.754 1.835 1.00 0.00 C ATOM 1110 C SER A 74 -12.167 -9.810 1.359 1.00 0.00 C ATOM 1111 O SER A 74 -11.280 -10.057 2.163 1.00 0.00 O ATOM 1112 CB SER A 74 -14.380 -11.046 1.484 1.00 0.00 C ATOM 1113 OG SER A 74 -14.119 -11.551 0.191 1.00 0.00 O ATOM 0 H SER A 74 -15.136 -8.762 0.820 1.00 0.00 H new ATOM 0 HA SER A 74 -13.610 -9.687 2.923 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.130 -11.813 2.217 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.449 -10.854 1.576 1.00 0.00 H new ATOM 0 HG SER A 74 -14.555 -10.981 -0.477 1.00 0.00 H new ATOM 1119 N ARG A 75 -11.946 -9.520 0.076 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.647 -9.534 -0.576 1.00 0.00 C ATOM 1121 C ARG A 75 -9.724 -8.581 0.159 1.00 0.00 C ATOM 1122 O ARG A 75 -8.660 -8.975 0.627 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.827 -9.108 -2.039 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.446 -10.197 -2.925 1.00 0.00 C ATOM 1125 CD ARG A 75 -12.215 -9.532 -4.062 1.00 0.00 C ATOM 1126 NE ARG A 75 -12.234 -10.351 -5.283 1.00 0.00 N ATOM 1127 CZ ARG A 75 -12.812 -9.989 -6.434 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -13.360 -8.792 -6.580 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -12.850 -10.842 -7.450 1.00 0.00 N ATOM 0 H ARG A 75 -12.701 -9.259 -0.558 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.208 -10.532 -0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.458 -8.220 -2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.857 -8.826 -2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.666 -10.845 -3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.113 -10.827 -2.337 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.239 -9.341 -3.741 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.764 -8.565 -4.284 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.773 -11.260 -5.250 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.346 -8.127 -5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.796 -8.535 -7.466 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.439 -11.771 -7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.290 -10.569 -8.329 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.147 -7.324 0.290 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.368 -6.324 0.983 1.00 0.00 C ATOM 1145 C TYR A 76 -9.055 -6.717 2.417 1.00 0.00 C ATOM 1146 O TYR A 76 -7.887 -6.627 2.790 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.102 -4.987 0.948 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.246 -4.423 -0.447 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.114 -4.245 -1.264 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.519 -4.094 -0.935 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.247 -3.726 -2.560 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -11.658 -3.579 -2.233 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.524 -3.379 -3.051 1.00 0.00 C ATOM 1154 OH TYR A 76 -10.677 -2.847 -4.295 1.00 0.00 O ATOM 0 H TYR A 76 -11.033 -6.982 -0.081 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.413 -6.237 0.466 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.092 -5.112 1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.566 -4.269 1.570 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.136 -4.510 -0.890 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.390 -4.237 -0.313 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.374 -3.592 -3.181 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.640 -3.334 -2.610 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.627 -2.672 -4.462 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.044 -7.107 3.230 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.791 -7.406 4.646 1.00 0.00 C ATOM 1166 C VAL A 77 -8.900 -8.638 4.793 1.00 0.00 C ATOM 1167 O VAL A 77 -8.023 -8.653 5.655 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.080 -7.532 5.487 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -12.001 -6.341 5.242 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -11.909 -8.786 5.210 1.00 0.00 C ATOM 0 H VAL A 77 -11.014 -7.222 2.938 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.259 -6.546 5.052 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.719 -7.581 6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.903 -6.449 5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.487 -5.421 5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.271 -6.301 4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.793 -8.786 5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.216 -8.796 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.310 -9.672 5.421 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.091 -9.643 3.934 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.282 -10.850 3.900 1.00 0.00 C ATOM 1182 C ARG A 78 -6.832 -10.502 3.625 1.00 0.00 C ATOM 1183 O ARG A 78 -5.931 -10.902 4.351 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.804 -11.795 2.832 1.00 0.00 C ATOM 1185 CG ARG A 78 -9.875 -12.719 3.423 1.00 0.00 C ATOM 1186 CD ARG A 78 -10.101 -13.809 2.397 1.00 0.00 C ATOM 1187 NE ARG A 78 -10.840 -14.964 2.937 1.00 0.00 N ATOM 1188 CZ ARG A 78 -10.300 -16.153 3.241 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -8.985 -16.326 3.271 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -11.112 -17.175 3.485 1.00 0.00 N ATOM 0 H ARG A 78 -9.830 -9.634 3.231 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.345 -11.343 4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.223 -11.224 2.003 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.984 -12.388 2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.546 -13.140 4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.797 -12.172 3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.651 -13.396 1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.137 -14.147 2.016 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.842 -14.850 3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.363 -15.546 3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.596 -17.239 3.505 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.123 -17.046 3.439 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.725 -18.089 3.718 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.607 -9.720 2.578 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.283 -9.288 2.191 1.00 0.00 C ATOM 1206 C LEU A 79 -4.657 -8.392 3.263 1.00 0.00 C ATOM 1207 O LEU A 79 -3.488 -8.560 3.579 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.427 -8.590 0.845 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.103 -8.086 0.259 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -2.996 -9.135 0.149 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.445 -7.595 -1.140 1.00 0.00 C ATOM 0 H LEU A 79 -7.348 -9.368 1.972 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.601 -10.133 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.887 -9.280 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.108 -7.746 0.956 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.702 -7.325 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.103 -8.678 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.766 -9.527 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.329 -9.949 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.544 -7.218 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.853 -8.419 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.183 -6.796 -1.075 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.418 -7.455 3.838 1.00 0.00 N ATOM 1224 CA VAL A 80 -4.996 -6.646 4.987 1.00 0.00 C ATOM 1225 C VAL A 80 -4.506 -7.559 6.120 1.00 0.00 C ATOM 1226 O VAL A 80 -3.442 -7.312 6.683 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.141 -5.708 5.445 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.929 -5.119 6.845 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.318 -4.510 4.505 1.00 0.00 C ATOM 0 H VAL A 80 -6.359 -7.234 3.513 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.162 -6.009 4.692 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.019 -6.354 5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.769 -4.473 7.099 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.860 -5.927 7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.007 -4.538 6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.132 -3.881 4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.396 -3.930 4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.553 -4.866 3.502 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.277 -8.591 6.464 1.00 0.00 N ATOM 1240 CA ASP A 81 -4.925 -9.576 7.482 1.00 0.00 C ATOM 1241 C ASP A 81 -3.634 -10.301 7.107 1.00 0.00 C ATOM 1242 O ASP A 81 -2.721 -10.376 7.928 1.00 0.00 O ATOM 1243 CB ASP A 81 -6.090 -10.556 7.682 1.00 0.00 C ATOM 1244 CG ASP A 81 -5.663 -11.797 8.460 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -5.750 -11.769 9.709 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -5.269 -12.809 7.847 1.00 0.00 O ATOM 0 H ASP A 81 -6.184 -8.768 6.032 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.745 -9.066 8.428 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.899 -10.055 8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.484 -10.854 6.711 1.00 0.00 H new ATOM 1251 N SER A 82 -3.527 -10.799 5.875 1.00 0.00 N ATOM 1252 CA SER A 82 -2.394 -11.604 5.455 1.00 0.00 C ATOM 1253 C SER A 82 -1.114 -10.782 5.293 1.00 0.00 C ATOM 1254 O SER A 82 -0.036 -11.360 5.400 1.00 0.00 O ATOM 1255 CB SER A 82 -2.740 -12.356 4.172 1.00 0.00 C ATOM 1256 OG SER A 82 -1.701 -13.264 3.836 1.00 0.00 O ATOM 0 H SER A 82 -4.225 -10.653 5.146 1.00 0.00 H new ATOM 0 HA SER A 82 -2.189 -12.325 6.246 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.677 -12.897 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.891 -11.648 3.357 1.00 0.00 H new ATOM 0 HG SER A 82 -1.936 -13.740 3.012 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.187 -9.470 5.066 1.00 0.00 N ATOM 1263 CA VAL A 83 -0.002 -8.625 5.129 1.00 0.00 C ATOM 1264 C VAL A 83 0.551 -8.670 6.558 1.00 0.00 C ATOM 1265 O VAL A 83 1.760 -8.820 6.714 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.344 -7.210 4.612 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.692 -6.144 4.986 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.443 -7.241 3.078 1.00 0.00 C ATOM 0 H VAL A 83 -2.050 -8.975 4.839 1.00 0.00 H new ATOM 0 HA VAL A 83 0.792 -8.986 4.476 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.287 -6.938 5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.381 -5.178 4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.772 -6.080 6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.661 -6.415 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.684 -6.244 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.510 -7.563 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.225 -7.938 2.778 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.291 -8.624 7.600 1.00 0.00 N ATOM 1279 CA LYS A 84 0.194 -8.739 8.979 1.00 0.00 C ATOM 1280 C LYS A 84 0.791 -10.122 9.217 1.00 0.00 C ATOM 1281 O LYS A 84 1.816 -10.210 9.889 1.00 0.00 O ATOM 1282 CB LYS A 84 -0.906 -8.476 10.017 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.679 -7.175 9.782 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.836 -7.047 10.776 1.00 0.00 C ATOM 1285 CE LYS A 84 -3.807 -5.987 10.255 1.00 0.00 C ATOM 1286 NZ LYS A 84 -4.946 -5.797 11.168 1.00 0.00 N ATOM 0 H LYS A 84 -1.301 -8.509 7.514 1.00 0.00 H new ATOM 0 HA LYS A 84 0.959 -7.973 9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.607 -9.311 10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.456 -8.446 11.010 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.007 -6.323 9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.065 -7.154 8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.345 -8.004 10.890 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.461 -6.766 11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.280 -5.041 10.129 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.174 -6.281 9.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.583 -5.071 10.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.463 -6.694 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.597 -5.492 12.099 1.00 0.00 H new ATOM 1300 N GLU A 85 0.197 -11.181 8.652 1.00 0.00 N ATOM 1301 CA GLU A 85 0.747 -12.539 8.735 1.00 0.00 C ATOM 1302 C GLU A 85 2.176 -12.580 8.196 1.00 0.00 C ATOM 1303 O GLU A 85 3.005 -13.344 8.696 1.00 0.00 O ATOM 1304 CB GLU A 85 -0.099 -13.561 7.972 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.524 -13.705 8.506 1.00 0.00 C ATOM 1306 CD GLU A 85 -1.632 -14.604 9.734 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -1.007 -14.308 10.773 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -2.402 -15.596 9.648 1.00 0.00 O ATOM 0 H GLU A 85 -0.675 -11.121 8.126 1.00 0.00 H new ATOM 0 HA GLU A 85 0.738 -12.808 9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.142 -13.271 6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.395 -14.532 8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.910 -12.717 8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.159 -14.106 7.716 1.00 0.00 H new ATOM 1315 N ASN A 86 2.450 -11.733 7.199 1.00 0.00 N ATOM 1316 CA ASN A 86 3.700 -11.607 6.463 1.00 0.00 C ATOM 1317 C ASN A 86 4.540 -10.442 7.000 1.00 0.00 C ATOM 1318 O ASN A 86 5.396 -9.912 6.291 1.00 0.00 O ATOM 1319 CB ASN A 86 3.400 -11.522 4.951 1.00 0.00 C ATOM 1320 CG ASN A 86 2.722 -12.790 4.428 1.00 0.00 C ATOM 1321 OD1 ASN A 86 2.729 -13.835 5.075 1.00 0.00 O ATOM 1322 ND2 ASN A 86 2.172 -12.769 3.228 1.00 0.00 N ATOM 0 H ASN A 86 1.749 -11.072 6.865 1.00 0.00 H new ATOM 0 HA ASN A 86 4.315 -12.494 6.614 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.759 -10.662 4.757 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.329 -11.357 4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.756 -13.617 2.843 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.163 -11.905 2.686 1.00 0.00 H new ATOM 1329 N ALA A 87 4.323 -10.063 8.265 1.00 0.00 N ATOM 1330 CA ALA A 87 5.063 -9.053 9.015 1.00 0.00 C ATOM 1331 C ALA A 87 4.987 -7.644 8.415 1.00 0.00 C ATOM 1332 O ALA A 87 5.849 -6.811 8.703 1.00 0.00 O ATOM 1333 CB ALA A 87 6.512 -9.502 9.241 1.00 0.00 C ATOM 0 H ALA A 87 3.579 -10.482 8.823 1.00 0.00 H new ATOM 0 HA ALA A 87 4.568 -8.969 9.982 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.047 -8.736 9.802 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.520 -10.436 9.804 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.000 -9.654 8.278 1.00 0.00 H new ATOM 1339 N GLY A 88 4.004 -7.363 7.564 1.00 0.00 N ATOM 1340 CA GLY A 88 3.831 -6.066 6.942 1.00 0.00 C ATOM 1341 C GLY A 88 2.953 -5.165 7.804 1.00 0.00 C ATOM 1342 O GLY A 88 2.000 -5.602 8.457 1.00 0.00 O ATOM 0 H GLY A 88 3.298 -8.045 7.287 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.803 -5.597 6.791 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.379 -6.187 5.957 1.00 0.00 H new ATOM 1346 N THR A 89 3.257 -3.876 7.758 1.00 0.00 N ATOM 1347 CA THR A 89 2.494 -2.777 8.309 1.00 0.00 C ATOM 1348 C THR A 89 1.199 -2.595 7.502 1.00 0.00 C ATOM 1349 O THR A 89 1.173 -2.757 6.280 1.00 0.00 O ATOM 1350 CB THR A 89 3.416 -1.537 8.237 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.141 -1.381 9.444 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.697 -0.221 7.956 1.00 0.00 C ATOM 0 H THR A 89 4.108 -3.552 7.299 1.00 0.00 H new ATOM 0 HA THR A 89 2.190 -2.951 9.341 1.00 0.00 H new ATOM 0 HB THR A 89 4.073 -1.739 7.392 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.720 -0.593 9.379 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.424 0.591 7.924 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.182 -0.285 6.998 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.971 -0.027 8.746 1.00 0.00 H new ATOM 1360 N VAL A 90 0.147 -2.121 8.173 1.00 0.00 N ATOM 1361 CA VAL A 90 -1.107 -1.681 7.568 1.00 0.00 C ATOM 1362 C VAL A 90 -1.302 -0.183 7.861 1.00 0.00 C ATOM 1363 O VAL A 90 -0.827 0.340 8.880 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.245 -2.584 8.097 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.637 -2.151 7.613 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -2.005 -4.046 7.674 1.00 0.00 C ATOM 0 H VAL A 90 0.147 -2.031 9.189 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.102 -1.782 6.483 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.228 -2.487 9.183 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.390 -2.826 8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.840 -1.135 7.951 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.670 -2.185 6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.813 -4.672 8.053 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.976 -4.110 6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.056 -4.392 8.083 1.00 0.00 H new ATOM 1376 N ARG A 91 -1.980 0.523 6.956 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.307 1.945 7.025 1.00 0.00 C ATOM 1378 C ARG A 91 -3.742 2.087 6.535 1.00 0.00 C ATOM 1379 O ARG A 91 -4.116 1.438 5.553 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.359 2.765 6.128 1.00 0.00 C ATOM 1381 CG ARG A 91 0.125 2.683 6.502 1.00 0.00 C ATOM 1382 CD ARG A 91 0.444 3.628 7.660 1.00 0.00 C ATOM 1383 NE ARG A 91 1.790 3.381 8.200 1.00 0.00 N ATOM 1384 CZ ARG A 91 2.098 2.683 9.299 1.00 0.00 C ATOM 1385 NH1 ARG A 91 1.167 2.081 10.030 1.00 0.00 N ATOM 1386 NH2 ARG A 91 3.369 2.564 9.653 1.00 0.00 N ATOM 0 H ARG A 91 -2.337 0.090 6.104 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.196 2.318 8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.477 2.428 5.098 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.668 3.810 6.159 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.379 1.660 6.780 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.738 2.939 5.638 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.371 4.661 7.319 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.296 3.500 8.450 1.00 0.00 H new ATOM 0 HE ARG A 91 2.571 3.784 7.682 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.186 2.144 9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.433 1.556 10.863 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.098 3.002 9.090 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.618 2.035 10.489 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.533 2.916 7.207 1.00 0.00 N ATOM 1401 CA ILE A 92 -5.970 3.034 7.010 1.00 0.00 C ATOM 1402 C ILE A 92 -6.240 4.493 6.662 1.00 0.00 C ATOM 1403 O ILE A 92 -6.190 5.358 7.535 1.00 0.00 O ATOM 1404 CB ILE A 92 -6.738 2.573 8.268 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.375 1.146 8.743 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.253 2.714 8.044 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.727 -0.002 7.786 1.00 0.00 C ATOM 0 H ILE A 92 -4.178 3.545 7.928 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.320 2.389 6.204 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.424 3.232 9.077 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.303 1.113 8.937 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.876 0.964 9.694 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.785 2.386 8.937 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.495 3.757 7.840 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.554 2.099 7.196 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.424 -0.951 8.229 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.802 -0.011 7.609 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.204 0.140 6.840 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.498 4.764 5.388 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.671 6.107 4.858 1.00 0.00 C ATOM 1421 C PHE A 93 -8.151 6.442 4.968 1.00 0.00 C ATOM 1422 O PHE A 93 -8.974 5.689 4.465 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.251 6.114 3.378 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.767 6.224 3.090 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.799 5.490 3.801 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.352 7.067 2.052 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.430 5.696 3.552 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -2.991 7.231 1.767 1.00 0.00 C ATOM 1429 CZ PHE A 93 -2.023 6.566 2.531 1.00 0.00 C ATOM 0 H PHE A 93 -6.595 4.037 4.679 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.068 6.833 5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.620 5.198 2.916 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.755 6.945 2.886 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.108 4.766 4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.089 7.596 1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.691 5.183 4.149 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.686 7.873 0.954 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.972 6.722 2.335 1.00 0.00 H new ATOM 1439 N SER A 94 -8.507 7.545 5.618 1.00 0.00 N ATOM 1440 CA SER A 94 -9.897 7.986 5.657 1.00 0.00 C ATOM 1441 C SER A 94 -10.278 8.474 4.255 1.00 0.00 C ATOM 1442 O SER A 94 -9.570 9.324 3.707 1.00 0.00 O ATOM 1443 CB SER A 94 -10.086 9.093 6.703 1.00 0.00 C ATOM 1444 OG SER A 94 -9.361 8.821 7.900 1.00 0.00 O ATOM 0 H SER A 94 -7.856 8.147 6.122 1.00 0.00 H new ATOM 0 HA SER A 94 -10.547 7.161 5.948 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.757 10.045 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.146 9.196 6.936 1.00 0.00 H new ATOM 0 HG SER A 94 -9.504 9.548 8.541 1.00 0.00 H new ATOM 1450 N SER A 95 -11.384 7.981 3.697 1.00 0.00 N ATOM 1451 CA SER A 95 -11.890 8.218 2.340 1.00 0.00 C ATOM 1452 C SER A 95 -12.221 9.685 1.983 1.00 0.00 C ATOM 1453 O SER A 95 -12.889 9.929 0.980 1.00 0.00 O ATOM 1454 CB SER A 95 -13.111 7.308 2.147 1.00 0.00 C ATOM 1455 OG SER A 95 -14.172 7.669 3.016 1.00 0.00 O ATOM 0 H SER A 95 -11.998 7.357 4.220 1.00 0.00 H new ATOM 0 HA SER A 95 -11.081 7.981 1.649 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.450 7.367 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.826 6.272 2.330 1.00 0.00 H new ATOM 0 HG SER A 95 -14.935 7.072 2.867 1.00 0.00 H new ATOM 1461 N LEU A 96 -11.845 10.648 2.826 1.00 0.00 N ATOM 1462 CA LEU A 96 -12.146 12.075 2.721 1.00 0.00 C ATOM 1463 C LEU A 96 -10.877 12.926 2.857 1.00 0.00 C ATOM 1464 O LEU A 96 -10.885 14.099 2.485 1.00 0.00 O ATOM 1465 CB LEU A 96 -13.137 12.465 3.834 1.00 0.00 C ATOM 1466 CG LEU A 96 -14.515 11.783 3.741 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -15.279 11.981 5.052 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -15.340 12.334 2.576 1.00 0.00 C ATOM 0 H LEU A 96 -11.286 10.438 3.653 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.580 12.262 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.692 12.222 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -13.280 13.545 3.812 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.351 10.720 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.253 11.497 4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -14.713 11.541 5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.416 13.047 5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.305 11.829 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.495 13.404 2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.808 12.162 1.640 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.800 12.367 3.415 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.526 13.021 3.602 1.00 0.00 C ATOM 1482 C HIS A 97 -7.833 13.244 2.253 1.00 0.00 C ATOM 1483 O HIS A 97 -8.044 12.454 1.330 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.695 12.079 4.486 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.460 12.729 5.016 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -5.167 12.286 4.891 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -6.448 13.891 5.726 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -4.378 13.181 5.497 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -5.111 14.178 6.023 1.00 0.00 N ATOM 0 H HIS A 97 -9.804 11.407 3.759 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.644 14.001 4.064 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.307 11.736 5.320 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.418 11.196 3.910 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.308 14.480 6.007 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.302 13.112 5.555 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.761 14.986 6.538 1.00 0.00 H new ATOM 1497 N VAL A 98 -6.901 14.208 2.163 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.139 14.412 0.928 1.00 0.00 C ATOM 1499 C VAL A 98 -5.397 13.132 0.539 1.00 0.00 C ATOM 1500 O VAL A 98 -5.360 12.768 -0.630 1.00 0.00 O ATOM 1501 CB VAL A 98 -5.212 15.647 0.985 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -3.850 15.371 1.640 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -4.944 16.166 -0.435 1.00 0.00 C ATOM 0 H VAL A 98 -6.662 14.848 2.921 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.854 14.636 0.136 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.739 16.379 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.256 16.285 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.001 15.033 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.325 14.599 1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.290 17.037 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.464 15.384 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.887 16.446 -0.904 1.00 0.00 H new ATOM 1513 N SER A 99 -4.835 12.405 1.508 1.00 0.00 N ATOM 1514 CA SER A 99 -4.136 11.165 1.215 1.00 0.00 C ATOM 1515 C SER A 99 -5.107 10.124 0.636 1.00 0.00 C ATOM 1516 O SER A 99 -4.704 9.330 -0.210 1.00 0.00 O ATOM 1517 CB SER A 99 -3.418 10.667 2.476 1.00 0.00 C ATOM 1518 OG SER A 99 -2.823 11.745 3.171 1.00 0.00 O ATOM 0 H SER A 99 -4.854 12.658 2.496 1.00 0.00 H new ATOM 0 HA SER A 99 -3.376 11.340 0.453 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.128 10.156 3.127 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.655 9.939 2.202 1.00 0.00 H new ATOM 0 HG SER A 99 -1.975 11.982 2.742 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.378 10.145 1.055 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.436 9.284 0.550 1.00 0.00 C ATOM 1526 C GLY A 100 -7.728 9.605 -0.908 1.00 0.00 C ATOM 1527 O GLY A 100 -7.724 8.690 -1.736 1.00 0.00 O ATOM 0 H GLY A 100 -6.701 10.786 1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.141 8.239 0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.338 9.417 1.147 1.00 0.00 H new ATOM 1531 N GLU A 101 -7.941 10.882 -1.246 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.175 11.237 -2.641 1.00 0.00 C ATOM 1533 C GLU A 101 -6.920 11.060 -3.496 1.00 0.00 C ATOM 1534 O GLU A 101 -7.027 10.855 -4.700 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.759 12.636 -2.842 1.00 0.00 C ATOM 1536 CG GLU A 101 -7.877 13.778 -2.346 1.00 0.00 C ATOM 1537 CD GLU A 101 -8.066 15.046 -3.168 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -7.712 15.013 -4.372 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -8.559 16.062 -2.635 1.00 0.00 O ATOM 0 H GLU A 101 -7.955 11.663 -0.590 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.935 10.532 -2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.955 12.783 -3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.720 12.690 -2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.107 13.986 -1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.832 13.472 -2.387 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.724 11.158 -2.918 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.488 10.815 -3.612 1.00 0.00 C ATOM 1548 C GLN A 102 -4.521 9.327 -3.975 1.00 0.00 C ATOM 1549 O GLN A 102 -4.273 8.962 -5.125 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.242 11.218 -2.816 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.004 12.736 -2.898 1.00 0.00 C ATOM 1552 CD GLN A 102 -1.617 13.122 -3.419 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -1.312 12.938 -4.598 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -0.753 13.683 -2.587 1.00 0.00 N ATOM 0 H GLN A 102 -5.587 11.476 -1.959 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.420 11.391 -4.535 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.359 10.920 -1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.372 10.688 -3.203 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.760 13.177 -3.547 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.142 13.169 -1.907 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.009 13.834 -1.611 1.00 0.00 H new ATOM 0 HE22 GLN A 102 0.168 13.964 -2.922 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.908 8.469 -3.022 1.00 0.00 N ATOM 1564 CA LEU A 103 -5.019 7.034 -3.237 1.00 0.00 C ATOM 1565 C LEU A 103 -6.030 6.683 -4.327 1.00 0.00 C ATOM 1566 O LEU A 103 -5.888 5.636 -4.946 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.376 6.311 -1.921 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.740 4.918 -1.773 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.217 4.924 -1.870 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.124 4.317 -0.415 1.00 0.00 C ATOM 0 H LEU A 103 -5.153 8.761 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.043 6.690 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.062 6.932 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.460 6.212 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.123 4.325 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.841 3.907 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.916 5.316 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.805 5.553 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.672 3.330 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.765 4.965 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.208 4.228 -0.350 1.00 0.00 H new ATOM 1582 N SER A 104 -7.025 7.533 -4.581 1.00 0.00 N ATOM 1583 CA SER A 104 -8.023 7.386 -5.644 1.00 0.00 C ATOM 1584 C SER A 104 -7.372 7.115 -7.002 1.00 0.00 C ATOM 1585 O SER A 104 -7.788 6.193 -7.707 1.00 0.00 O ATOM 1586 CB SER A 104 -8.884 8.648 -5.749 1.00 0.00 C ATOM 1587 OG SER A 104 -10.184 8.329 -6.213 1.00 0.00 O ATOM 0 H SER A 104 -7.165 8.379 -4.029 1.00 0.00 H new ATOM 0 HA SER A 104 -8.646 6.531 -5.380 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.949 9.132 -4.775 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.414 9.359 -6.428 1.00 0.00 H new ATOM 0 HG SER A 104 -10.720 9.147 -6.272 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.301 7.841 -7.349 1.00 0.00 N ATOM 1594 CA GLN A 105 -5.517 7.630 -8.568 1.00 0.00 C ATOM 1595 C GLN A 105 -4.810 6.268 -8.610 1.00 0.00 C ATOM 1596 O GLN A 105 -4.081 5.961 -9.551 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.507 8.767 -8.717 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.180 10.093 -9.094 1.00 0.00 C ATOM 1599 CD GLN A 105 -5.576 10.910 -7.879 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -6.748 11.056 -7.549 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -4.606 11.463 -7.177 1.00 0.00 N ATOM 0 H GLN A 105 -5.950 8.608 -6.776 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.212 7.629 -9.407 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.962 8.891 -7.782 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.775 8.503 -9.480 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.501 10.677 -9.715 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.066 9.889 -9.695 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.635 11.335 -7.460 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.827 12.019 -6.351 1.00 0.00 H new ATOM 1610 N LEU A 106 -4.993 5.457 -7.575 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.454 4.132 -7.385 1.00 0.00 C ATOM 1612 C LEU A 106 -5.584 3.214 -6.879 1.00 0.00 C ATOM 1613 O LEU A 106 -5.361 2.306 -6.080 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.270 4.196 -6.408 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.134 5.179 -6.769 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.307 5.431 -5.516 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.211 4.659 -7.878 1.00 0.00 C ATOM 0 H LEU A 106 -5.572 5.741 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.076 3.722 -8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.654 4.464 -5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.843 3.197 -6.323 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.596 6.092 -7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.498 6.123 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.942 5.861 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.888 4.489 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.436 5.398 -8.082 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.748 3.726 -7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -1.793 4.484 -8.783 1.00 0.00 H new ATOM 1629 N THR A 107 -6.829 3.451 -7.301 1.00 0.00 N ATOM 1630 CA THR A 107 -8.056 2.719 -6.947 1.00 0.00 C ATOM 1631 C THR A 107 -8.454 2.835 -5.463 1.00 0.00 C ATOM 1632 O THR A 107 -9.510 2.342 -5.073 1.00 0.00 O ATOM 1633 CB THR A 107 -8.017 1.257 -7.459 1.00 0.00 C ATOM 1634 OG1 THR A 107 -7.158 0.422 -6.704 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.555 1.159 -8.918 1.00 0.00 C ATOM 0 H THR A 107 -7.024 4.216 -7.947 1.00 0.00 H new ATOM 0 HA THR A 107 -8.867 3.220 -7.476 1.00 0.00 H new ATOM 0 HB THR A 107 -9.048 0.918 -7.356 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.522 0.974 -6.203 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.545 0.114 -9.227 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.239 1.720 -9.555 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.551 1.574 -9.010 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.639 3.505 -4.648 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.710 3.590 -3.202 1.00 0.00 C ATOM 1645 C GLY A 108 -7.047 2.395 -2.500 1.00 0.00 C ATOM 1646 O GLY A 108 -7.287 2.201 -1.307 1.00 0.00 O ATOM 0 H GLY A 108 -6.854 4.041 -5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.229 4.511 -2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.755 3.650 -2.897 1.00 0.00 H new ATOM 1650 N VAL A 109 -6.175 1.627 -3.176 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.313 0.652 -2.507 1.00 0.00 C ATOM 1652 C VAL A 109 -3.928 0.611 -3.161 1.00 0.00 C ATOM 1653 O VAL A 109 -3.805 0.464 -4.381 1.00 0.00 O ATOM 1654 CB VAL A 109 -5.993 -0.733 -2.441 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.045 -1.476 -3.780 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.294 -1.612 -1.402 1.00 0.00 C ATOM 0 H VAL A 109 -6.053 1.667 -4.188 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.159 0.968 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.027 -0.538 -2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.538 -2.438 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.603 -0.882 -4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.031 -1.637 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.781 -2.586 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.247 -1.740 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.355 -1.137 -0.423 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.873 0.710 -2.352 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.490 0.596 -2.786 1.00 0.00 C ATOM 1668 C ALA A 110 -0.642 -0.007 -1.662 1.00 0.00 C ATOM 1669 O ALA A 110 -1.142 -0.221 -0.565 1.00 0.00 O ATOM 1670 CB ALA A 110 -0.995 1.979 -3.207 1.00 0.00 C ATOM 0 H ALA A 110 -2.965 0.876 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.407 -0.072 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.042 1.910 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.611 2.352 -4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.063 2.663 -2.361 1.00 0.00 H new ATOM 1676 N ALA A 111 0.634 -0.317 -1.904 1.00 0.00 N ATOM 1677 CA ALA A 111 1.556 -0.782 -0.870 1.00 0.00 C ATOM 1678 C ALA A 111 3.008 -0.651 -1.349 1.00 0.00 C ATOM 1679 O ALA A 111 3.273 -0.700 -2.551 1.00 0.00 O ATOM 1680 CB ALA A 111 1.259 -2.233 -0.464 1.00 0.00 C ATOM 0 H ALA A 111 1.057 -0.251 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 111 1.414 -0.152 0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.963 -2.547 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.243 -2.302 -0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.360 -2.882 -1.334 1.00 0.00 H new ATOM 1686 N ILE A 112 3.936 -0.496 -0.405 1.00 0.00 N ATOM 1687 CA ILE A 112 5.362 -0.303 -0.615 1.00 0.00 C ATOM 1688 C ILE A 112 6.052 -1.650 -0.437 1.00 0.00 C ATOM 1689 O ILE A 112 5.688 -2.419 0.465 1.00 0.00 O ATOM 1690 CB ILE A 112 5.920 0.707 0.410 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.148 2.041 0.384 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.409 0.914 0.096 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.559 3.040 1.485 1.00 0.00 C ATOM 0 H ILE A 112 3.692 -0.503 0.585 1.00 0.00 H new ATOM 0 HA ILE A 112 5.542 0.089 -1.616 1.00 0.00 H new ATOM 0 HB ILE A 112 5.798 0.313 1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.294 2.511 -0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.083 1.832 0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.835 1.625 0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.934 -0.038 0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.517 1.303 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.966 3.949 1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.386 2.594 2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.616 3.284 1.379 1.00 0.00 H new ATOM 1705 N LEU A 113 7.047 -1.939 -1.275 1.00 0.00 N ATOM 1706 CA LEU A 113 7.736 -3.219 -1.289 1.00 0.00 C ATOM 1707 C LEU A 113 9.138 -3.097 -0.713 1.00 0.00 C ATOM 1708 O LEU A 113 9.822 -2.091 -0.932 1.00 0.00 O ATOM 1709 CB LEU A 113 7.822 -3.758 -2.720 1.00 0.00 C ATOM 1710 CG LEU A 113 6.449 -4.047 -3.343 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.476 -4.163 -4.861 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.889 -5.356 -2.811 1.00 0.00 C ATOM 0 H LEU A 113 7.398 -1.280 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 113 7.164 -3.910 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.351 -3.036 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.414 -4.673 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 113 5.829 -3.193 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.470 -4.368 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.836 -3.228 -5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.141 -4.976 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.915 -5.546 -3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.569 -6.171 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.780 -5.292 -1.728 1.00 0.00 H new ATOM 1724 N ARG A 114 9.588 -4.145 -0.026 1.00 0.00 N ATOM 1725 CA ARG A 114 10.975 -4.345 0.379 1.00 0.00 C ATOM 1726 C ARG A 114 11.867 -4.554 -0.835 1.00 0.00 C ATOM 1727 O ARG A 114 12.972 -4.021 -0.880 1.00 0.00 O ATOM 1728 CB ARG A 114 11.078 -5.540 1.344 1.00 0.00 C ATOM 1729 CG ARG A 114 10.518 -5.183 2.731 1.00 0.00 C ATOM 1730 CD ARG A 114 11.098 -6.073 3.834 1.00 0.00 C ATOM 1731 NE ARG A 114 10.948 -5.465 5.168 1.00 0.00 N ATOM 1732 CZ ARG A 114 11.184 -6.062 6.343 1.00 0.00 C ATOM 1733 NH1 ARG A 114 11.537 -7.343 6.411 1.00 0.00 N ATOM 1734 NH2 ARG A 114 11.077 -5.350 7.456 1.00 0.00 N ATOM 0 H ARG A 114 8.975 -4.903 0.273 1.00 0.00 H new ATOM 0 HA ARG A 114 11.318 -3.449 0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.531 -6.389 0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 114 12.120 -5.847 1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.741 -4.139 2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.433 -5.282 2.719 1.00 0.00 H new ATOM 0 HD2 ARG A 114 10.599 -7.042 3.819 1.00 0.00 H new ATOM 0 HD3 ARG A 114 12.154 -6.256 3.635 1.00 0.00 H new ATOM 0 HE ARG A 114 10.634 -4.495 5.199 1.00 0.00 H new ATOM 0 HH11 ARG A 114 11.633 -7.892 5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 114 11.712 -7.776 7.318 1.00 0.00 H new ATOM 0 HH21 ARG A 114 10.819 -4.364 7.408 1.00 0.00 H new ATOM 0 HH22 ARG A 114 11.253 -5.788 8.360 1.00 0.00 H new ATOM 1748 N PHE A 115 11.392 -5.297 -1.831 1.00 0.00 N ATOM 1749 CA PHE A 115 12.162 -5.653 -3.011 1.00 0.00 C ATOM 1750 C PHE A 115 11.240 -5.684 -4.231 1.00 0.00 C ATOM 1751 O PHE A 115 10.032 -5.873 -4.072 1.00 0.00 O ATOM 1752 CB PHE A 115 12.838 -7.010 -2.775 1.00 0.00 C ATOM 1753 CG PHE A 115 11.944 -8.124 -2.255 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.223 -8.943 -3.143 1.00 0.00 C ATOM 1755 CD2 PHE A 115 11.896 -8.391 -0.874 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.563 -10.089 -2.665 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.227 -9.525 -0.391 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.593 -10.392 -1.292 1.00 0.00 C ATOM 0 H PHE A 115 10.444 -5.673 -1.837 1.00 0.00 H new ATOM 0 HA PHE A 115 12.939 -4.912 -3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.284 -7.339 -3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.655 -6.867 -2.067 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.176 -8.691 -4.192 1.00 0.00 H new ATOM 0 HD2 PHE A 115 12.378 -7.717 -0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 115 10.034 -10.735 -3.351 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.200 -9.729 0.669 1.00 0.00 H new ATOM 0 HZ PHE A 115 10.126 -11.296 -0.930 1.00 0.00 H new ATOM 1768 N PRO A 116 11.773 -5.487 -5.446 1.00 0.00 N ATOM 1769 CA PRO A 116 10.990 -5.557 -6.665 1.00 0.00 C ATOM 1770 C PRO A 116 10.563 -7.009 -6.920 1.00 0.00 C ATOM 1771 O PRO A 116 11.276 -7.965 -6.591 1.00 0.00 O ATOM 1772 CB PRO A 116 11.884 -4.965 -7.757 1.00 0.00 C ATOM 1773 CG PRO A 116 13.308 -5.181 -7.248 1.00 0.00 C ATOM 1774 CD PRO A 116 13.176 -5.250 -5.731 1.00 0.00 C ATOM 0 HA PRO A 116 10.058 -4.994 -6.622 1.00 0.00 H new ATOM 0 HB2 PRO A 116 11.725 -5.464 -8.713 1.00 0.00 H new ATOM 0 HB3 PRO A 116 11.674 -3.906 -7.911 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.736 -6.100 -7.650 1.00 0.00 H new ATOM 0 HG3 PRO A 116 13.964 -4.365 -7.551 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.794 -6.050 -5.325 1.00 0.00 H new ATOM 0 HD3 PRO A 116 13.513 -4.321 -5.270 1.00 0.00 H new ATOM 1782 N VAL A 117 9.378 -7.170 -7.496 1.00 0.00 N ATOM 1783 CA VAL A 117 8.670 -8.435 -7.656 1.00 0.00 C ATOM 1784 C VAL A 117 8.731 -8.791 -9.152 1.00 0.00 C ATOM 1785 O VAL A 117 8.406 -7.929 -9.970 1.00 0.00 O ATOM 1786 CB VAL A 117 7.212 -8.250 -7.173 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.388 -9.535 -7.283 1.00 0.00 C ATOM 1788 CG2 VAL A 117 7.061 -7.723 -5.736 1.00 0.00 C ATOM 0 H VAL A 117 8.858 -6.383 -7.884 1.00 0.00 H new ATOM 0 HA VAL A 117 9.114 -9.240 -7.070 1.00 0.00 H new ATOM 0 HB VAL A 117 6.834 -7.487 -7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.374 -9.348 -6.931 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.357 -9.859 -8.323 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.846 -10.314 -6.673 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.003 -7.628 -5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.532 -8.419 -5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.541 -6.748 -5.654 1.00 0.00 H new ATOM 1798 N PRO A 118 9.087 -10.027 -9.542 1.00 0.00 N ATOM 1799 CA PRO A 118 9.169 -10.424 -10.941 1.00 0.00 C ATOM 1800 C PRO A 118 7.770 -10.380 -11.559 1.00 0.00 C ATOM 1801 O PRO A 118 6.922 -11.237 -11.276 1.00 0.00 O ATOM 1802 CB PRO A 118 9.796 -11.821 -10.939 1.00 0.00 C ATOM 1803 CG PRO A 118 9.384 -12.395 -9.586 1.00 0.00 C ATOM 1804 CD PRO A 118 9.335 -11.168 -8.677 1.00 0.00 C ATOM 0 HA PRO A 118 9.781 -9.758 -11.549 1.00 0.00 H new ATOM 0 HB2 PRO A 118 9.423 -12.429 -11.763 1.00 0.00 H new ATOM 0 HB3 PRO A 118 10.880 -11.774 -11.042 1.00 0.00 H new ATOM 0 HG2 PRO A 118 8.416 -12.894 -9.640 1.00 0.00 H new ATOM 0 HG3 PRO A 118 10.103 -13.132 -9.227 1.00 0.00 H new ATOM 0 HD2 PRO A 118 8.547 -11.268 -7.931 1.00 0.00 H new ATOM 0 HD3 PRO A 118 10.273 -11.048 -8.135 1.00 0.00 H new ATOM 1812 N SER A 119 7.485 -9.337 -12.335 1.00 0.00 N ATOM 1813 CA SER A 119 6.206 -9.074 -12.975 1.00 0.00 C ATOM 1814 C SER A 119 6.392 -7.907 -13.954 1.00 0.00 C ATOM 1815 O SER A 119 7.506 -7.403 -14.131 1.00 0.00 O ATOM 1816 CB SER A 119 5.154 -8.738 -11.902 1.00 0.00 C ATOM 1817 OG SER A 119 3.865 -9.111 -12.348 1.00 0.00 O ATOM 0 H SER A 119 8.178 -8.618 -12.543 1.00 0.00 H new ATOM 0 HA SER A 119 5.858 -9.950 -13.523 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.391 -9.259 -10.974 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.176 -7.671 -11.682 1.00 0.00 H new ATOM 0 HG SER A 119 3.204 -8.894 -11.657 1.00 0.00 H new ATOM 1823 N GLY A 120 5.311 -7.451 -14.584 1.00 0.00 N ATOM 1824 CA GLY A 120 5.238 -6.142 -15.223 1.00 0.00 C ATOM 1825 C GLY A 120 4.046 -5.366 -14.655 1.00 0.00 C ATOM 1826 O GLY A 120 3.162 -5.981 -14.046 1.00 0.00 O ATOM 0 H GLY A 120 4.449 -7.990 -14.665 1.00 0.00 H new ATOM 0 HA2 GLY A 120 6.161 -5.589 -15.051 1.00 0.00 H new ATOM 0 HA3 GLY A 120 5.131 -6.257 -16.302 1.00 0.00 H new ATOM 1830 N PRO A 121 3.975 -4.041 -14.862 1.00 0.00 N ATOM 1831 CA PRO A 121 2.831 -3.222 -14.468 1.00 0.00 C ATOM 1832 C PRO A 121 1.597 -3.576 -15.314 1.00 0.00 C ATOM 1833 O PRO A 121 1.698 -4.361 -16.265 1.00 0.00 O ATOM 1834 CB PRO A 121 3.294 -1.777 -14.688 1.00 0.00 C ATOM 1835 CG PRO A 121 4.302 -1.889 -15.829 1.00 0.00 C ATOM 1836 CD PRO A 121 4.963 -3.240 -15.569 1.00 0.00 C ATOM 0 HA PRO A 121 2.528 -3.385 -13.434 1.00 0.00 H new ATOM 0 HB2 PRO A 121 2.461 -1.126 -14.952 1.00 0.00 H new ATOM 0 HB3 PRO A 121 3.751 -1.362 -13.790 1.00 0.00 H new ATOM 0 HG2 PRO A 121 3.814 -1.859 -16.803 1.00 0.00 H new ATOM 0 HG3 PRO A 121 5.026 -1.075 -15.810 1.00 0.00 H new ATOM 0 HD2 PRO A 121 5.256 -3.718 -16.504 1.00 0.00 H new ATOM 0 HD3 PRO A 121 5.869 -3.123 -14.974 1.00 0.00 H new ATOM 1844 N SER A 122 0.437 -2.985 -15.020 1.00 0.00 N ATOM 1845 CA SER A 122 -0.783 -3.159 -15.802 1.00 0.00 C ATOM 1846 C SER A 122 -1.296 -1.779 -16.181 1.00 0.00 C ATOM 1847 O SER A 122 -1.519 -0.938 -15.312 1.00 0.00 O ATOM 1848 CB SER A 122 -1.804 -4.005 -15.035 1.00 0.00 C ATOM 1849 OG SER A 122 -2.964 -4.237 -15.811 1.00 0.00 O ATOM 0 H SER A 122 0.320 -2.364 -14.220 1.00 0.00 H new ATOM 0 HA SER A 122 -0.587 -3.713 -16.720 1.00 0.00 H new ATOM 0 HB2 SER A 122 -1.354 -4.958 -14.756 1.00 0.00 H new ATOM 0 HB3 SER A 122 -2.078 -3.498 -14.110 1.00 0.00 H new ATOM 0 HG SER A 122 -3.598 -4.781 -15.298 1.00 0.00 H new ATOM 1855 N SER A 123 -1.469 -1.559 -17.484 1.00 0.00 N ATOM 1856 CA SER A 123 -1.498 -0.253 -18.112 1.00 0.00 C ATOM 1857 C SER A 123 -0.251 0.522 -17.668 1.00 0.00 C ATOM 1858 O SER A 123 0.836 0.212 -18.171 1.00 0.00 O ATOM 1859 CB SER A 123 -2.866 0.410 -17.901 1.00 0.00 C ATOM 1860 OG SER A 123 -2.937 1.652 -18.572 1.00 0.00 O ATOM 0 H SER A 123 -1.597 -2.320 -18.151 1.00 0.00 H new ATOM 0 HA SER A 123 -1.424 -0.299 -19.199 1.00 0.00 H new ATOM 0 HB2 SER A 123 -3.654 -0.250 -18.265 1.00 0.00 H new ATOM 0 HB3 SER A 123 -3.042 0.558 -16.835 1.00 0.00 H new ATOM 0 HG SER A 123 -3.818 2.054 -18.424 1.00 0.00 H new ATOM 1866 N GLY A 124 -0.361 1.477 -16.747 1.00 0.00 N ATOM 1867 CA GLY A 124 0.747 2.295 -16.285 1.00 0.00 C ATOM 1868 C GLY A 124 1.573 1.549 -15.260 1.00 0.00 C ATOM 1869 O GLY A 124 0.951 0.951 -14.359 1.00 0.00 O ATOM 0 H GLY A 124 -1.246 1.705 -16.294 1.00 0.00 H new ATOM 0 HA2 GLY A 124 1.375 2.576 -17.130 1.00 0.00 H new ATOM 0 HA3 GLY A 124 0.366 3.219 -15.850 1.00 0.00 H new TER 1873 GLY A 124