USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 717 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 39 TYR OH : rot -125:sc= 0.961 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -6.01! C(o=-5!,f=-18!) USER MOD Set 2.1: A 9 HIS : no HD1:sc= -0.0711 X(o=-3.1,f=-3.2) USER MOD Set 2.2: A 31 GLN : amide:sc= -3.08! C(o=-3.1!,f=-3.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 67:sc= 0.697 USER MOD Single : A 6 SER OG : rot 31:sc= 0.495 USER MOD Single : A 14 HIS : no HE2:sc= 0.112 K(o=0.11,f=-2.5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.897 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.00713 USER MOD Single : A 37 SER OG : rot 5:sc= 0.484! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.138 K(o=-0.14,f=-3.4!) USER MOD Single : A 55 THR OG1 : rot -43:sc= 0.906 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 2:sc= 0.984 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -57:sc= 0.0106 USER MOD Single : A 70 ASN : amide:sc= -1.95 K(o=-2,f=-0.55) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -70:sc= -1.19 USER MOD Single : A 86 SER OG : rot 180:sc= -0.612! USER MOD Single : A 89 SER OG : rot 8:sc= 0.0208 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.123 11.417 -12.020 1.00 0.00 N ATOM 2 CA GLY A 1 4.124 10.433 -12.389 1.00 0.00 C ATOM 3 C GLY A 1 5.511 11.033 -12.508 1.00 0.00 C ATOM 4 O GLY A 1 6.051 11.153 -13.607 1.00 0.00 O ATOM 0 H1 GLY A 1 2.193 10.957 -11.952 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.370 11.836 -11.101 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.088 12.164 -12.743 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.138 9.637 -11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.847 9.976 -13.339 1.00 0.00 H new ATOM 8 N SER A 2 6.088 11.414 -11.372 1.00 0.00 N ATOM 9 CA SER A 2 7.419 12.010 -11.354 1.00 0.00 C ATOM 10 C SER A 2 8.493 10.937 -11.212 1.00 0.00 C ATOM 11 O SER A 2 8.703 10.392 -10.129 1.00 0.00 O ATOM 12 CB SER A 2 7.534 13.018 -10.209 1.00 0.00 C ATOM 13 OG SER A 2 6.517 14.001 -10.291 1.00 0.00 O ATOM 0 H SER A 2 5.655 11.321 -10.453 1.00 0.00 H new ATOM 0 HA SER A 2 7.571 12.528 -12.301 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.465 12.498 -9.254 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.512 13.498 -10.240 1.00 0.00 H new ATOM 0 HG SER A 2 6.611 14.632 -9.547 1.00 0.00 H new ATOM 19 N SER A 3 9.172 10.638 -12.316 1.00 0.00 N ATOM 20 CA SER A 3 10.223 9.627 -12.317 1.00 0.00 C ATOM 21 C SER A 3 11.549 10.222 -11.854 1.00 0.00 C ATOM 22 O SER A 3 11.812 11.409 -12.048 1.00 0.00 O ATOM 23 CB SER A 3 10.381 9.027 -13.715 1.00 0.00 C ATOM 24 OG SER A 3 11.490 8.147 -13.770 1.00 0.00 O ATOM 0 H SER A 3 9.013 11.082 -13.221 1.00 0.00 H new ATOM 0 HA SER A 3 9.936 8.839 -11.621 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.473 8.490 -13.988 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.511 9.826 -14.445 1.00 0.00 H new ATOM 0 HG SER A 3 11.568 7.775 -14.673 1.00 0.00 H new ATOM 30 N GLY A 4 12.383 9.388 -11.240 1.00 0.00 N ATOM 31 CA GLY A 4 13.672 9.848 -10.758 1.00 0.00 C ATOM 32 C GLY A 4 14.467 8.747 -10.085 1.00 0.00 C ATOM 33 O GLY A 4 14.529 8.678 -8.858 1.00 0.00 O ATOM 0 H GLY A 4 12.189 8.402 -11.068 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.247 10.248 -11.593 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.522 10.666 -10.053 1.00 0.00 H new ATOM 37 N SER A 5 15.075 7.881 -10.890 1.00 0.00 N ATOM 38 CA SER A 5 15.865 6.774 -10.364 1.00 0.00 C ATOM 39 C SER A 5 15.213 6.186 -9.116 1.00 0.00 C ATOM 40 O SER A 5 15.890 5.886 -8.132 1.00 0.00 O ATOM 41 CB SER A 5 17.285 7.241 -10.040 1.00 0.00 C ATOM 42 OG SER A 5 17.321 7.948 -8.812 1.00 0.00 O ATOM 0 H SER A 5 15.036 7.925 -11.908 1.00 0.00 H new ATOM 0 HA SER A 5 15.911 5.998 -11.128 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.951 6.380 -9.987 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.653 7.880 -10.842 1.00 0.00 H new ATOM 0 HG SER A 5 17.124 7.333 -8.075 1.00 0.00 H new ATOM 48 N SER A 6 13.895 6.024 -9.165 1.00 0.00 N ATOM 49 CA SER A 6 13.150 5.476 -8.037 1.00 0.00 C ATOM 50 C SER A 6 12.848 3.996 -8.253 1.00 0.00 C ATOM 51 O SER A 6 12.709 3.539 -9.386 1.00 0.00 O ATOM 52 CB SER A 6 11.846 6.250 -7.836 1.00 0.00 C ATOM 53 OG SER A 6 12.101 7.608 -7.520 1.00 0.00 O ATOM 0 H SER A 6 13.321 6.264 -9.973 1.00 0.00 H new ATOM 0 HA SER A 6 13.766 5.577 -7.143 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.242 6.192 -8.741 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.266 5.790 -7.036 1.00 0.00 H new ATOM 0 HG SER A 6 12.936 7.892 -7.947 1.00 0.00 H new ATOM 59 N GLY A 7 12.749 3.253 -7.155 1.00 0.00 N ATOM 60 CA GLY A 7 12.465 1.832 -7.245 1.00 0.00 C ATOM 61 C GLY A 7 13.474 0.991 -6.490 1.00 0.00 C ATOM 62 O GLY A 7 14.006 0.019 -7.026 1.00 0.00 O ATOM 0 H GLY A 7 12.860 3.609 -6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.467 1.638 -6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.458 1.532 -8.293 1.00 0.00 H new ATOM 66 N GLU A 8 13.739 1.365 -5.242 1.00 0.00 N ATOM 67 CA GLU A 8 14.694 0.638 -4.414 1.00 0.00 C ATOM 68 C GLU A 8 14.038 0.156 -3.123 1.00 0.00 C ATOM 69 O GLU A 8 13.699 0.955 -2.249 1.00 0.00 O ATOM 70 CB GLU A 8 15.898 1.524 -4.087 1.00 0.00 C ATOM 71 CG GLU A 8 16.572 2.112 -5.315 1.00 0.00 C ATOM 72 CD GLU A 8 17.161 1.049 -6.223 1.00 0.00 C ATOM 73 OE1 GLU A 8 17.584 -0.005 -5.704 1.00 0.00 O ATOM 74 OE2 GLU A 8 17.198 1.271 -7.451 1.00 0.00 O ATOM 0 H GLU A 8 13.306 2.166 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 8 15.034 -0.232 -4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.575 2.336 -3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.628 0.939 -3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.847 2.702 -5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.362 2.794 -5.000 1.00 0.00 H new ATOM 81 N HIS A 9 13.862 -1.157 -3.010 1.00 0.00 N ATOM 82 CA HIS A 9 13.246 -1.746 -1.826 1.00 0.00 C ATOM 83 C HIS A 9 14.133 -1.554 -0.600 1.00 0.00 C ATOM 84 O HIS A 9 15.060 -2.328 -0.364 1.00 0.00 O ATOM 85 CB HIS A 9 12.983 -3.236 -2.051 1.00 0.00 C ATOM 86 CG HIS A 9 12.709 -3.993 -0.788 1.00 0.00 C ATOM 87 ND1 HIS A 9 13.547 -4.975 -0.303 1.00 0.00 N ATOM 88 CD2 HIS A 9 11.685 -3.906 0.093 1.00 0.00 C ATOM 89 CE1 HIS A 9 13.049 -5.461 0.820 1.00 0.00 C ATOM 90 NE2 HIS A 9 11.919 -4.828 1.083 1.00 0.00 N ATOM 0 H HIS A 9 14.137 -1.833 -3.723 1.00 0.00 H new ATOM 0 HA HIS A 9 12.297 -1.239 -1.649 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.133 -3.349 -2.724 1.00 0.00 H new ATOM 0 HB3 HIS A 9 13.846 -3.678 -2.550 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.841 -3.236 0.029 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.490 -6.243 1.421 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.319 -4.997 1.890 1.00 0.00 H new ATOM 99 N GLY A 10 13.843 -0.515 0.178 1.00 0.00 N ATOM 100 CA GLY A 10 14.623 -0.239 1.370 1.00 0.00 C ATOM 101 C GLY A 10 14.249 1.080 2.015 1.00 0.00 C ATOM 102 O GLY A 10 13.861 1.120 3.183 1.00 0.00 O ATOM 0 H GLY A 10 13.081 0.141 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.479 -1.045 2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.682 -0.227 1.113 1.00 0.00 H new ATOM 106 N LEU A 11 14.368 2.163 1.255 1.00 0.00 N ATOM 107 CA LEU A 11 14.041 3.492 1.761 1.00 0.00 C ATOM 108 C LEU A 11 12.568 3.580 2.147 1.00 0.00 C ATOM 109 O LEU A 11 12.137 4.547 2.779 1.00 0.00 O ATOM 110 CB LEU A 11 14.368 4.554 0.709 1.00 0.00 C ATOM 111 CG LEU A 11 13.414 4.635 -0.483 1.00 0.00 C ATOM 112 CD1 LEU A 11 13.277 3.275 -1.150 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.053 5.154 -0.043 1.00 0.00 C ATOM 0 H LEU A 11 14.688 2.147 0.287 1.00 0.00 H new ATOM 0 HA LEU A 11 14.643 3.673 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.389 5.527 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.373 4.366 0.332 1.00 0.00 H new ATOM 0 HG LEU A 11 13.830 5.333 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.594 3.352 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.254 2.942 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.885 2.555 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.387 5.205 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.631 4.481 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.165 6.149 0.388 1.00 0.00 H new ATOM 125 N LEU A 12 11.800 2.565 1.767 1.00 0.00 N ATOM 126 CA LEU A 12 10.375 2.526 2.076 1.00 0.00 C ATOM 127 C LEU A 12 10.141 2.614 3.581 1.00 0.00 C ATOM 128 O LEU A 12 9.435 3.502 4.059 1.00 0.00 O ATOM 129 CB LEU A 12 9.749 1.244 1.526 1.00 0.00 C ATOM 130 CG LEU A 12 9.187 1.327 0.106 1.00 0.00 C ATOM 131 CD1 LEU A 12 8.044 2.328 0.042 1.00 0.00 C ATOM 132 CD2 LEU A 12 10.284 1.703 -0.880 1.00 0.00 C ATOM 0 H LEU A 12 12.140 1.758 1.244 1.00 0.00 H new ATOM 0 HA LEU A 12 9.902 3.387 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.502 0.456 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.945 0.939 2.196 1.00 0.00 H new ATOM 0 HG LEU A 12 8.799 0.346 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.657 2.374 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.249 2.016 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.406 3.313 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.866 1.758 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.702 2.672 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.071 0.949 -0.854 1.00 0.00 H new ATOM 144 N VAL A 13 10.741 1.689 4.323 1.00 0.00 N ATOM 145 CA VAL A 13 10.602 1.664 5.774 1.00 0.00 C ATOM 146 C VAL A 13 11.304 2.856 6.414 1.00 0.00 C ATOM 147 O VAL A 13 11.060 3.184 7.576 1.00 0.00 O ATOM 148 CB VAL A 13 11.173 0.364 6.371 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.232 -0.802 6.110 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.556 0.081 5.804 1.00 0.00 C ATOM 0 H VAL A 13 11.328 0.947 3.943 1.00 0.00 H new ATOM 0 HA VAL A 13 9.535 1.716 5.990 1.00 0.00 H new ATOM 0 HB VAL A 13 11.266 0.490 7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.652 -1.712 6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.264 -0.598 6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.104 -0.933 5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.945 -0.841 6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.491 -0.025 4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.225 0.906 6.048 1.00 0.00 H new ATOM 160 N HIS A 14 12.179 3.501 5.649 1.00 0.00 N ATOM 161 CA HIS A 14 12.917 4.659 6.142 1.00 0.00 C ATOM 162 C HIS A 14 12.109 5.939 5.954 1.00 0.00 C ATOM 163 O HIS A 14 12.267 6.902 6.705 1.00 0.00 O ATOM 164 CB HIS A 14 14.259 4.779 5.419 1.00 0.00 C ATOM 165 CG HIS A 14 15.266 3.758 5.852 1.00 0.00 C ATOM 166 ND1 HIS A 14 15.196 2.430 5.487 1.00 0.00 N ATOM 167 CD2 HIS A 14 16.372 3.877 6.622 1.00 0.00 C ATOM 168 CE1 HIS A 14 16.214 1.776 6.015 1.00 0.00 C ATOM 169 NE2 HIS A 14 16.944 2.631 6.709 1.00 0.00 N ATOM 0 H HIS A 14 12.394 3.242 4.686 1.00 0.00 H new ATOM 0 HA HIS A 14 13.097 4.518 7.208 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.094 4.682 4.346 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.667 5.775 5.590 1.00 0.00 H new ATOM 0 HD1 HIS A 14 14.471 2.017 4.900 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.737 4.783 7.083 1.00 0.00 H new ATOM 0 HE1 HIS A 14 16.416 0.721 5.899 1.00 0.00 H new ATOM 178 N LYS A 15 11.242 5.944 4.947 1.00 0.00 N ATOM 179 CA LYS A 15 10.408 7.104 4.660 1.00 0.00 C ATOM 180 C LYS A 15 8.956 6.840 5.047 1.00 0.00 C ATOM 181 O LYS A 15 8.344 5.881 4.579 1.00 0.00 O ATOM 182 CB LYS A 15 10.493 7.465 3.175 1.00 0.00 C ATOM 183 CG LYS A 15 9.480 8.512 2.745 1.00 0.00 C ATOM 184 CD LYS A 15 9.269 8.497 1.240 1.00 0.00 C ATOM 185 CE LYS A 15 8.374 9.642 0.791 1.00 0.00 C ATOM 186 NZ LYS A 15 9.115 10.932 0.727 1.00 0.00 N ATOM 0 H LYS A 15 11.099 5.156 4.315 1.00 0.00 H new ATOM 0 HA LYS A 15 10.778 7.941 5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.496 7.830 2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.345 6.563 2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.531 8.330 3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.821 9.499 3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.233 8.568 0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.823 7.548 0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.957 9.414 -0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.535 9.739 1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.471 11.687 0.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.492 11.163 1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.901 10.848 0.051 1.00 0.00 H new ATOM 200 N ALA A 16 8.411 7.698 5.903 1.00 0.00 N ATOM 201 CA ALA A 16 7.030 7.559 6.349 1.00 0.00 C ATOM 202 C ALA A 16 6.100 7.272 5.176 1.00 0.00 C ATOM 203 O ALA A 16 6.203 7.899 4.121 1.00 0.00 O ATOM 204 CB ALA A 16 6.584 8.814 7.085 1.00 0.00 C ATOM 0 H ALA A 16 8.905 8.497 6.302 1.00 0.00 H new ATOM 0 HA ALA A 16 6.979 6.712 7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.551 8.696 7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.224 8.973 7.953 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.657 9.673 6.418 1.00 0.00 H new ATOM 210 N VAL A 17 5.192 6.320 5.365 1.00 0.00 N ATOM 211 CA VAL A 17 4.242 5.951 4.322 1.00 0.00 C ATOM 212 C VAL A 17 3.317 7.114 3.984 1.00 0.00 C ATOM 213 O VAL A 17 2.901 7.277 2.836 1.00 0.00 O ATOM 214 CB VAL A 17 3.391 4.738 4.741 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.389 4.386 3.653 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.283 3.547 5.061 1.00 0.00 C ATOM 0 H VAL A 17 5.094 5.790 6.231 1.00 0.00 H new ATOM 0 HA VAL A 17 4.827 5.688 3.441 1.00 0.00 H new ATOM 0 HB VAL A 17 2.835 5.000 5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.797 3.526 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.730 5.236 3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.921 4.143 2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.665 2.698 5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.867 3.282 4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.957 3.806 5.878 1.00 0.00 H new ATOM 226 N ASP A 18 2.999 7.922 4.990 1.00 0.00 N ATOM 227 CA ASP A 18 2.123 9.072 4.799 1.00 0.00 C ATOM 228 C ASP A 18 2.768 10.097 3.871 1.00 0.00 C ATOM 229 O ASP A 18 2.147 11.096 3.506 1.00 0.00 O ATOM 230 CB ASP A 18 1.796 9.719 6.146 1.00 0.00 C ATOM 231 CG ASP A 18 2.799 10.787 6.534 1.00 0.00 C ATOM 232 OD1 ASP A 18 3.953 10.430 6.849 1.00 0.00 O ATOM 233 OD2 ASP A 18 2.430 11.980 6.524 1.00 0.00 O ATOM 0 H ASP A 18 3.335 7.802 5.946 1.00 0.00 H new ATOM 0 HA ASP A 18 1.199 8.723 4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.800 10.159 6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.771 8.950 6.918 1.00 0.00 H new ATOM 238 N LYS A 19 4.016 9.844 3.494 1.00 0.00 N ATOM 239 CA LYS A 19 4.746 10.744 2.609 1.00 0.00 C ATOM 240 C LYS A 19 5.020 10.080 1.264 1.00 0.00 C ATOM 241 O LYS A 19 5.647 10.672 0.385 1.00 0.00 O ATOM 242 CB LYS A 19 6.065 11.172 3.257 1.00 0.00 C ATOM 243 CG LYS A 19 5.958 12.453 4.066 1.00 0.00 C ATOM 244 CD LYS A 19 5.347 12.199 5.434 1.00 0.00 C ATOM 245 CE LYS A 19 5.717 13.296 6.421 1.00 0.00 C ATOM 246 NZ LYS A 19 5.063 14.590 6.082 1.00 0.00 N ATOM 0 H LYS A 19 4.544 9.022 3.788 1.00 0.00 H new ATOM 0 HA LYS A 19 4.129 11.626 2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.418 10.371 3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.816 11.306 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.948 12.893 4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.350 13.177 3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.262 12.139 5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.689 11.236 5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.425 12.994 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.799 13.427 6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.340 15.312 6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.362 14.892 5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.030 14.472 6.099 1.00 0.00 H new ATOM 260 N TRP A 20 4.546 8.849 1.109 1.00 0.00 N ATOM 261 CA TRP A 20 4.739 8.105 -0.130 1.00 0.00 C ATOM 262 C TRP A 20 3.953 8.739 -1.273 1.00 0.00 C ATOM 263 O TRP A 20 3.017 9.506 -1.046 1.00 0.00 O ATOM 264 CB TRP A 20 4.312 6.648 0.053 1.00 0.00 C ATOM 265 CG TRP A 20 5.222 5.872 0.956 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.272 6.361 1.679 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.163 4.468 1.231 1.00 0.00 C ATOM 268 NE1 TRP A 20 6.870 5.346 2.387 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.208 4.175 2.130 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.329 3.430 0.807 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.438 2.888 2.609 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.559 2.154 1.283 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.606 1.891 2.177 1.00 0.00 C ATOM 0 H TRP A 20 4.025 8.345 1.826 1.00 0.00 H new ATOM 0 HA TRP A 20 5.799 8.136 -0.382 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.300 6.621 0.458 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.278 6.162 -0.922 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.587 7.394 1.693 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.676 5.448 3.004 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.519 3.622 0.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.245 2.684 3.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 3.921 1.345 0.961 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.759 0.882 2.532 1.00 0.00 H new ATOM 284 N THR A 21 4.339 8.412 -2.503 1.00 0.00 N ATOM 285 CA THR A 21 3.670 8.950 -3.681 1.00 0.00 C ATOM 286 C THR A 21 2.853 7.875 -4.389 1.00 0.00 C ATOM 287 O THR A 21 3.121 6.681 -4.245 1.00 0.00 O ATOM 288 CB THR A 21 4.681 9.548 -4.677 1.00 0.00 C ATOM 289 OG1 THR A 21 5.738 8.614 -4.924 1.00 0.00 O ATOM 290 CG2 THR A 21 5.263 10.848 -4.142 1.00 0.00 C ATOM 0 H THR A 21 5.111 7.778 -2.709 1.00 0.00 H new ATOM 0 HA THR A 21 3.003 9.739 -3.333 1.00 0.00 H new ATOM 0 HB THR A 21 4.157 9.758 -5.609 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.375 9.002 -5.560 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.974 11.252 -4.862 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.460 11.568 -3.982 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.772 10.657 -3.197 1.00 0.00 H new ATOM 298 N THR A 22 1.855 8.304 -5.154 1.00 0.00 N ATOM 299 CA THR A 22 0.999 7.378 -5.884 1.00 0.00 C ATOM 300 C THR A 22 1.809 6.232 -6.479 1.00 0.00 C ATOM 301 O THR A 22 1.306 5.120 -6.636 1.00 0.00 O ATOM 302 CB THR A 22 0.234 8.092 -7.015 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.362 9.295 -6.519 1.00 0.00 O ATOM 304 CG2 THR A 22 -0.843 7.187 -7.595 1.00 0.00 C ATOM 0 H THR A 22 1.619 9.288 -5.284 1.00 0.00 H new ATOM 0 HA THR A 22 0.282 6.978 -5.166 1.00 0.00 H new ATOM 0 HB THR A 22 0.943 8.338 -7.805 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.972 9.660 -7.193 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.370 7.713 -8.392 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.382 6.285 -7.998 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.550 6.914 -6.811 1.00 0.00 H new ATOM 312 N GLU A 23 3.067 6.510 -6.807 1.00 0.00 N ATOM 313 CA GLU A 23 3.947 5.501 -7.385 1.00 0.00 C ATOM 314 C GLU A 23 4.467 4.552 -6.309 1.00 0.00 C ATOM 315 O GLU A 23 4.248 3.343 -6.375 1.00 0.00 O ATOM 316 CB GLU A 23 5.122 6.168 -8.103 1.00 0.00 C ATOM 317 CG GLU A 23 5.662 5.356 -9.269 1.00 0.00 C ATOM 318 CD GLU A 23 7.109 5.680 -9.584 1.00 0.00 C ATOM 319 OE1 GLU A 23 7.837 6.107 -8.663 1.00 0.00 O ATOM 320 OE2 GLU A 23 7.515 5.506 -10.752 1.00 0.00 O ATOM 0 H GLU A 23 3.499 7.425 -6.682 1.00 0.00 H new ATOM 0 HA GLU A 23 3.370 4.923 -8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.807 7.146 -8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.926 6.338 -7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.573 4.294 -9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.051 5.544 -10.152 1.00 0.00 H new ATOM 327 N GLU A 24 5.156 5.110 -5.318 1.00 0.00 N ATOM 328 CA GLU A 24 5.708 4.314 -4.229 1.00 0.00 C ATOM 329 C GLU A 24 4.634 3.427 -3.605 1.00 0.00 C ATOM 330 O GLU A 24 4.879 2.261 -3.294 1.00 0.00 O ATOM 331 CB GLU A 24 6.319 5.224 -3.161 1.00 0.00 C ATOM 332 CG GLU A 24 7.406 6.142 -3.692 1.00 0.00 C ATOM 333 CD GLU A 24 8.041 6.985 -2.604 1.00 0.00 C ATOM 334 OE1 GLU A 24 8.077 6.525 -1.443 1.00 0.00 O ATOM 335 OE2 GLU A 24 8.502 8.104 -2.912 1.00 0.00 O ATOM 0 H GLU A 24 5.345 6.110 -5.247 1.00 0.00 H new ATOM 0 HA GLU A 24 6.489 3.674 -4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.529 5.830 -2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.734 4.607 -2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.176 5.543 -4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.983 6.797 -4.454 1.00 0.00 H new ATOM 342 N VAL A 25 3.444 3.989 -3.423 1.00 0.00 N ATOM 343 CA VAL A 25 2.331 3.251 -2.837 1.00 0.00 C ATOM 344 C VAL A 25 2.110 1.926 -3.558 1.00 0.00 C ATOM 345 O VAL A 25 1.984 0.877 -2.927 1.00 0.00 O ATOM 346 CB VAL A 25 1.028 4.071 -2.880 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.173 3.179 -2.607 1.00 0.00 C ATOM 348 CG2 VAL A 25 1.088 5.219 -1.884 1.00 0.00 C ATOM 0 H VAL A 25 3.225 4.953 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 25 2.593 3.056 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 25 0.917 4.493 -3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.085 3.776 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.223 2.395 -3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.073 2.726 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.159 5.788 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.223 4.821 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.925 5.872 -2.131 1.00 0.00 H new ATOM 358 N VAL A 26 2.064 1.982 -4.885 1.00 0.00 N ATOM 359 CA VAL A 26 1.859 0.786 -5.694 1.00 0.00 C ATOM 360 C VAL A 26 3.090 -0.113 -5.666 1.00 0.00 C ATOM 361 O VAL A 26 2.976 -1.340 -5.650 1.00 0.00 O ATOM 362 CB VAL A 26 1.532 1.146 -7.155 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.319 -0.114 -7.980 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.310 2.049 -7.220 1.00 0.00 C ATOM 0 H VAL A 26 2.166 2.843 -5.423 1.00 0.00 H new ATOM 0 HA VAL A 26 1.013 0.252 -5.262 1.00 0.00 H new ATOM 0 HB VAL A 26 2.379 1.688 -7.576 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.089 0.160 -9.010 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.225 -0.720 -7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.490 -0.686 -7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.093 2.294 -8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.546 1.535 -6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.506 2.966 -6.665 1.00 0.00 H new ATOM 374 N LEU A 27 4.266 0.504 -5.661 1.00 0.00 N ATOM 375 CA LEU A 27 5.520 -0.241 -5.635 1.00 0.00 C ATOM 376 C LEU A 27 5.603 -1.125 -4.395 1.00 0.00 C ATOM 377 O LEU A 27 5.885 -2.319 -4.490 1.00 0.00 O ATOM 378 CB LEU A 27 6.709 0.722 -5.669 1.00 0.00 C ATOM 379 CG LEU A 27 7.234 1.091 -7.057 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.471 1.968 -6.944 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.540 -0.164 -7.862 1.00 0.00 C ATOM 0 H LEU A 27 4.378 1.518 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 27 5.552 -0.880 -6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.423 1.640 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.526 0.279 -5.099 1.00 0.00 H new ATOM 0 HG LEU A 27 6.461 1.654 -7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.830 2.220 -7.942 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.221 2.882 -6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.250 1.431 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.913 0.117 -8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.296 -0.754 -7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.631 -0.756 -7.973 1.00 0.00 H new ATOM 393 N TRP A 28 5.353 -0.531 -3.234 1.00 0.00 N ATOM 394 CA TRP A 28 5.397 -1.266 -1.975 1.00 0.00 C ATOM 395 C TRP A 28 4.399 -2.418 -1.982 1.00 0.00 C ATOM 396 O TRP A 28 4.704 -3.520 -1.522 1.00 0.00 O ATOM 397 CB TRP A 28 5.104 -0.328 -0.803 1.00 0.00 C ATOM 398 CG TRP A 28 4.704 -1.048 0.449 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.538 -1.620 1.367 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.371 -1.275 0.919 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.803 -2.189 2.380 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.471 -1.990 2.129 1.00 0.00 C ATOM 403 CE3 TRP A 28 2.102 -0.942 0.437 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.351 -2.377 2.859 1.00 0.00 C ATOM 405 CZ3 TRP A 28 0.992 -1.327 1.164 1.00 0.00 C ATOM 406 CH2 TRP A 28 1.122 -2.038 2.364 1.00 0.00 C ATOM 0 H TRP A 28 5.118 0.457 -3.138 1.00 0.00 H new ATOM 0 HA TRP A 28 6.399 -1.679 -1.859 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.989 0.275 -0.600 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.308 0.360 -1.088 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.616 -1.625 1.306 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.187 -2.680 3.187 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.991 -0.394 -0.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.449 -2.926 3.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.007 -1.075 0.801 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.234 -2.324 2.909 1.00 0.00 H new ATOM 417 N LEU A 29 3.206 -2.158 -2.505 1.00 0.00 N ATOM 418 CA LEU A 29 2.162 -3.175 -2.572 1.00 0.00 C ATOM 419 C LEU A 29 2.475 -4.206 -3.651 1.00 0.00 C ATOM 420 O LEU A 29 2.070 -5.364 -3.553 1.00 0.00 O ATOM 421 CB LEU A 29 0.806 -2.525 -2.849 1.00 0.00 C ATOM 422 CG LEU A 29 -0.313 -3.468 -3.292 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.876 -4.225 -2.100 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.414 -2.693 -4.003 1.00 0.00 C ATOM 0 H LEU A 29 2.937 -1.252 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 29 2.123 -3.685 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.482 -2.008 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.940 -1.766 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 29 0.104 -4.192 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.671 -4.891 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.084 -4.811 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.277 -3.516 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.202 -3.380 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.828 -1.946 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.001 -2.197 -4.881 1.00 0.00 H new ATOM 436 N GLU A 30 3.199 -3.778 -4.680 1.00 0.00 N ATOM 437 CA GLU A 30 3.567 -4.665 -5.777 1.00 0.00 C ATOM 438 C GLU A 30 4.726 -5.573 -5.377 1.00 0.00 C ATOM 439 O GLU A 30 5.265 -6.309 -6.204 1.00 0.00 O ATOM 440 CB GLU A 30 3.947 -3.851 -7.016 1.00 0.00 C ATOM 441 CG GLU A 30 2.753 -3.413 -7.847 1.00 0.00 C ATOM 442 CD GLU A 30 3.142 -2.986 -9.249 1.00 0.00 C ATOM 443 OE1 GLU A 30 3.703 -1.880 -9.397 1.00 0.00 O ATOM 444 OE2 GLU A 30 2.886 -3.757 -10.197 1.00 0.00 O ATOM 0 H GLU A 30 3.542 -2.822 -4.777 1.00 0.00 H new ATOM 0 HA GLU A 30 2.704 -5.288 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.505 -2.968 -6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.615 -4.445 -7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.037 -4.232 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.250 -2.586 -7.346 1.00 0.00 H new ATOM 451 N GLN A 31 5.104 -5.515 -4.104 1.00 0.00 N ATOM 452 CA GLN A 31 6.200 -6.331 -3.595 1.00 0.00 C ATOM 453 C GLN A 31 5.679 -7.420 -2.662 1.00 0.00 C ATOM 454 O GLN A 31 6.308 -8.467 -2.501 1.00 0.00 O ATOM 455 CB GLN A 31 7.216 -5.456 -2.859 1.00 0.00 C ATOM 456 CG GLN A 31 8.078 -4.614 -3.786 1.00 0.00 C ATOM 457 CD GLN A 31 8.876 -3.561 -3.044 1.00 0.00 C ATOM 458 OE1 GLN A 31 9.980 -3.824 -2.567 1.00 0.00 O ATOM 459 NE2 GLN A 31 8.322 -2.358 -2.943 1.00 0.00 N ATOM 0 H GLN A 31 4.668 -4.912 -3.407 1.00 0.00 H new ATOM 0 HA GLN A 31 6.690 -6.808 -4.444 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.685 -4.797 -2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.862 -6.093 -2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.761 -5.265 -4.331 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.442 -4.128 -4.526 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.405 -2.183 -3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.814 -1.609 -2.455 1.00 0.00 H new ATOM 468 N LEU A 32 4.528 -7.167 -2.050 1.00 0.00 N ATOM 469 CA LEU A 32 3.922 -8.126 -1.132 1.00 0.00 C ATOM 470 C LEU A 32 3.487 -9.387 -1.871 1.00 0.00 C ATOM 471 O LEU A 32 3.451 -10.474 -1.297 1.00 0.00 O ATOM 472 CB LEU A 32 2.722 -7.496 -0.424 1.00 0.00 C ATOM 473 CG LEU A 32 2.849 -6.011 -0.079 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.655 -5.550 0.743 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.147 -5.747 0.669 1.00 0.00 C ATOM 0 H LEU A 32 3.995 -6.306 -2.172 1.00 0.00 H new ATOM 0 HA LEU A 32 4.670 -8.403 -0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.843 -7.628 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.538 -8.048 0.498 1.00 0.00 H new ATOM 0 HG LEU A 32 2.866 -5.442 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.763 -4.491 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.739 -5.703 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.606 -6.125 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.221 -4.686 0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.160 -6.327 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.992 -6.039 0.046 1.00 0.00 H new ATOM 487 N GLY A 33 3.160 -9.233 -3.151 1.00 0.00 N ATOM 488 CA GLY A 33 2.733 -10.368 -3.949 1.00 0.00 C ATOM 489 C GLY A 33 2.319 -9.968 -5.351 1.00 0.00 C ATOM 490 O GLY A 33 2.107 -8.792 -5.647 1.00 0.00 O ATOM 0 H GLY A 33 3.183 -8.343 -3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.544 -11.094 -4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.897 -10.862 -3.454 1.00 0.00 H new ATOM 494 N PRO A 34 2.200 -10.962 -6.244 1.00 0.00 N ATOM 495 CA PRO A 34 1.809 -10.732 -7.638 1.00 0.00 C ATOM 496 C PRO A 34 0.350 -10.309 -7.768 1.00 0.00 C ATOM 497 O PRO A 34 -0.037 -9.678 -8.752 1.00 0.00 O ATOM 498 CB PRO A 34 2.032 -12.095 -8.298 1.00 0.00 C ATOM 499 CG PRO A 34 1.909 -13.079 -7.186 1.00 0.00 C ATOM 500 CD PRO A 34 2.438 -12.388 -5.960 1.00 0.00 C ATOM 0 HA PRO A 34 2.381 -9.924 -8.094 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.293 -12.283 -9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.013 -12.151 -8.769 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.871 -13.382 -7.046 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.479 -13.983 -7.400 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.916 -12.711 -5.059 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.497 -12.596 -5.807 1.00 0.00 H new ATOM 508 N TRP A 35 -0.454 -10.659 -6.771 1.00 0.00 N ATOM 509 CA TRP A 35 -1.871 -10.314 -6.775 1.00 0.00 C ATOM 510 C TRP A 35 -2.065 -8.808 -6.646 1.00 0.00 C ATOM 511 O TRP A 35 -3.140 -8.284 -6.937 1.00 0.00 O ATOM 512 CB TRP A 35 -2.595 -11.034 -5.636 1.00 0.00 C ATOM 513 CG TRP A 35 -1.834 -11.019 -4.345 1.00 0.00 C ATOM 514 CD1 TRP A 35 -1.088 -12.037 -3.822 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.746 -9.935 -3.414 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.542 -11.650 -2.622 1.00 0.00 N ATOM 517 CE2 TRP A 35 -0.930 -10.365 -2.350 1.00 0.00 C ATOM 518 CE3 TRP A 35 -2.275 -8.642 -3.378 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.633 -9.547 -1.262 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -1.980 -7.832 -2.297 1.00 0.00 C ATOM 521 CH2 TRP A 35 -1.165 -8.286 -1.252 1.00 0.00 C ATOM 0 H TRP A 35 -0.149 -11.181 -5.950 1.00 0.00 H new ATOM 0 HA TRP A 35 -2.295 -10.635 -7.726 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.568 -10.568 -5.481 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.780 -12.068 -5.929 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.948 -13.003 -4.284 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.056 -12.226 -2.030 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.903 -8.282 -4.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.005 -9.896 -0.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.385 -6.832 -2.258 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.952 -7.628 -0.422 1.00 0.00 H new ATOM 532 N ALA A 36 -1.018 -8.116 -6.209 1.00 0.00 N ATOM 533 CA ALA A 36 -1.073 -6.668 -6.044 1.00 0.00 C ATOM 534 C ALA A 36 -1.404 -5.978 -7.363 1.00 0.00 C ATOM 535 O ALA A 36 -1.967 -4.883 -7.377 1.00 0.00 O ATOM 536 CB ALA A 36 0.245 -6.149 -5.490 1.00 0.00 C ATOM 0 H ALA A 36 -0.121 -8.535 -5.963 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.868 -6.438 -5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.189 -5.067 -5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.439 -6.610 -4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.052 -6.398 -6.179 1.00 0.00 H new ATOM 542 N SER A 37 -1.050 -6.624 -8.469 1.00 0.00 N ATOM 543 CA SER A 37 -1.306 -6.070 -9.793 1.00 0.00 C ATOM 544 C SER A 37 -2.798 -6.091 -10.112 1.00 0.00 C ATOM 545 O SER A 37 -3.242 -5.501 -11.098 1.00 0.00 O ATOM 546 CB SER A 37 -0.534 -6.854 -10.856 1.00 0.00 C ATOM 547 OG SER A 37 -1.049 -6.601 -12.151 1.00 0.00 O ATOM 0 H SER A 37 -0.585 -7.532 -8.474 1.00 0.00 H new ATOM 0 HA SER A 37 -0.966 -5.034 -9.798 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.520 -6.579 -10.821 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.593 -7.921 -10.640 1.00 0.00 H new ATOM 0 HG SER A 37 -1.748 -5.916 -12.097 1.00 0.00 H new ATOM 553 N LEU A 38 -3.566 -6.776 -9.272 1.00 0.00 N ATOM 554 CA LEU A 38 -5.009 -6.875 -9.464 1.00 0.00 C ATOM 555 C LEU A 38 -5.724 -5.679 -8.845 1.00 0.00 C ATOM 556 O LEU A 38 -6.914 -5.464 -9.079 1.00 0.00 O ATOM 557 CB LEU A 38 -5.536 -8.173 -8.849 1.00 0.00 C ATOM 558 CG LEU A 38 -4.917 -9.467 -9.379 1.00 0.00 C ATOM 559 CD1 LEU A 38 -5.372 -10.656 -8.547 1.00 0.00 C ATOM 560 CD2 LEU A 38 -5.278 -9.669 -10.843 1.00 0.00 C ATOM 0 H LEU A 38 -3.214 -7.271 -8.452 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.209 -6.879 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.376 -8.132 -7.772 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.613 -8.217 -9.010 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.833 -9.388 -9.300 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.922 -11.568 -8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.063 -10.515 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.458 -10.739 -8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.829 -10.594 -11.204 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.362 -9.727 -10.946 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.902 -8.831 -11.429 1.00 0.00 H new ATOM 572 N TYR A 39 -4.991 -4.901 -8.056 1.00 0.00 N ATOM 573 CA TYR A 39 -5.555 -3.726 -7.403 1.00 0.00 C ATOM 574 C TYR A 39 -4.757 -2.473 -7.751 1.00 0.00 C ATOM 575 O TYR A 39 -5.306 -1.374 -7.824 1.00 0.00 O ATOM 576 CB TYR A 39 -5.581 -3.922 -5.886 1.00 0.00 C ATOM 577 CG TYR A 39 -6.285 -5.188 -5.452 1.00 0.00 C ATOM 578 CD1 TYR A 39 -7.653 -5.197 -5.208 1.00 0.00 C ATOM 579 CD2 TYR A 39 -5.582 -6.375 -5.286 1.00 0.00 C ATOM 580 CE1 TYR A 39 -8.300 -6.351 -4.809 1.00 0.00 C ATOM 581 CE2 TYR A 39 -6.221 -7.534 -4.889 1.00 0.00 C ATOM 582 CZ TYR A 39 -7.580 -7.517 -4.652 1.00 0.00 C ATOM 583 OH TYR A 39 -8.220 -8.668 -4.257 1.00 0.00 O ATOM 0 H TYR A 39 -4.005 -5.063 -7.853 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.575 -3.597 -7.764 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.557 -3.939 -5.512 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.074 -3.066 -5.426 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.220 -4.286 -5.332 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.518 -6.392 -5.470 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.363 -6.340 -4.621 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.660 -8.448 -4.765 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.783 -9.027 -3.456 1.00 0.00 H new ATOM 593 N ARG A 40 -3.457 -2.649 -7.966 1.00 0.00 N ATOM 594 CA ARG A 40 -2.582 -1.534 -8.306 1.00 0.00 C ATOM 595 C ARG A 40 -3.303 -0.529 -9.199 1.00 0.00 C ATOM 596 O ARG A 40 -3.322 0.669 -8.914 1.00 0.00 O ATOM 597 CB ARG A 40 -1.321 -2.043 -9.009 1.00 0.00 C ATOM 598 CG ARG A 40 -1.557 -2.469 -10.449 1.00 0.00 C ATOM 599 CD ARG A 40 -0.302 -3.069 -11.064 1.00 0.00 C ATOM 600 NE ARG A 40 0.530 -2.055 -11.707 1.00 0.00 N ATOM 601 CZ ARG A 40 0.205 -1.450 -12.844 1.00 0.00 C ATOM 602 NH1 ARG A 40 -0.929 -1.754 -13.460 1.00 0.00 N ATOM 603 NH2 ARG A 40 1.015 -0.538 -13.366 1.00 0.00 N ATOM 0 H ARG A 40 -2.987 -3.553 -7.911 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.298 -1.033 -7.380 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.563 -1.260 -8.990 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.920 -2.888 -8.450 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.366 -3.198 -10.486 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.876 -1.608 -11.037 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.275 -3.574 -10.290 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.583 -3.825 -11.797 1.00 0.00 H new ATOM 0 HE ARG A 40 1.409 -1.797 -11.258 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.554 -2.454 -13.061 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.176 -1.288 -14.333 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.888 -0.301 -12.894 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.765 -0.074 -14.239 1.00 0.00 H new ATOM 617 N ASP A 41 -3.895 -1.024 -10.280 1.00 0.00 N ATOM 618 CA ASP A 41 -4.619 -0.169 -11.215 1.00 0.00 C ATOM 619 C ASP A 41 -5.539 0.793 -10.471 1.00 0.00 C ATOM 620 O ASP A 41 -5.600 1.980 -10.790 1.00 0.00 O ATOM 621 CB ASP A 41 -5.432 -1.020 -12.191 1.00 0.00 C ATOM 622 CG ASP A 41 -4.554 -1.850 -13.107 1.00 0.00 C ATOM 623 OD1 ASP A 41 -4.176 -1.344 -14.185 1.00 0.00 O ATOM 624 OD2 ASP A 41 -4.244 -3.004 -12.746 1.00 0.00 O ATOM 0 H ASP A 41 -3.888 -2.013 -10.531 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.889 0.416 -11.775 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.092 -1.681 -11.629 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.068 -0.370 -12.793 1.00 0.00 H new ATOM 629 N ARG A 42 -6.254 0.272 -9.478 1.00 0.00 N ATOM 630 CA ARG A 42 -7.172 1.085 -8.690 1.00 0.00 C ATOM 631 C ARG A 42 -6.428 2.207 -7.973 1.00 0.00 C ATOM 632 O ARG A 42 -6.931 3.325 -7.856 1.00 0.00 O ATOM 633 CB ARG A 42 -7.910 0.215 -7.670 1.00 0.00 C ATOM 634 CG ARG A 42 -8.470 -1.070 -8.258 1.00 0.00 C ATOM 635 CD ARG A 42 -9.695 -1.545 -7.492 1.00 0.00 C ATOM 636 NE ARG A 42 -10.912 -0.867 -7.931 1.00 0.00 N ATOM 637 CZ ARG A 42 -11.504 -1.103 -9.096 1.00 0.00 C ATOM 638 NH1 ARG A 42 -10.995 -1.995 -9.935 1.00 0.00 N ATOM 639 NH2 ARG A 42 -12.609 -0.446 -9.425 1.00 0.00 N ATOM 0 H ARG A 42 -6.215 -0.709 -9.201 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.897 1.531 -9.370 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.228 -0.034 -6.857 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.726 0.792 -7.236 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.733 -0.909 -9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.704 -1.845 -8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.811 -2.621 -7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.547 -1.370 -6.426 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.330 -0.175 -7.309 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.146 -2.503 -9.686 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.453 -2.174 -10.829 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.004 0.241 -8.783 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.063 -0.628 -10.320 1.00 0.00 H new ATOM 653 N PHE A 43 -5.226 1.902 -7.496 1.00 0.00 N ATOM 654 CA PHE A 43 -4.412 2.884 -6.789 1.00 0.00 C ATOM 655 C PHE A 43 -4.065 4.059 -7.699 1.00 0.00 C ATOM 656 O PHE A 43 -4.377 5.210 -7.392 1.00 0.00 O ATOM 657 CB PHE A 43 -3.129 2.234 -6.266 1.00 0.00 C ATOM 658 CG PHE A 43 -3.360 1.290 -5.121 1.00 0.00 C ATOM 659 CD1 PHE A 43 -3.850 0.014 -5.346 1.00 0.00 C ATOM 660 CD2 PHE A 43 -3.087 1.679 -3.819 1.00 0.00 C ATOM 661 CE1 PHE A 43 -4.064 -0.857 -4.294 1.00 0.00 C ATOM 662 CE2 PHE A 43 -3.298 0.813 -2.763 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.786 -0.457 -3.001 1.00 0.00 C ATOM 0 H PHE A 43 -4.794 0.982 -7.586 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.991 3.259 -5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.647 1.694 -7.081 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.438 3.015 -5.949 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.067 -0.304 -6.355 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.705 2.671 -3.627 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.448 -1.849 -4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.082 1.129 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.950 -1.136 -2.178 1.00 0.00 H new ATOM 673 N LEU A 44 -3.417 3.760 -8.820 1.00 0.00 N ATOM 674 CA LEU A 44 -3.026 4.791 -9.775 1.00 0.00 C ATOM 675 C LEU A 44 -4.233 5.616 -10.211 1.00 0.00 C ATOM 676 O LEU A 44 -4.265 6.832 -10.027 1.00 0.00 O ATOM 677 CB LEU A 44 -2.361 4.155 -10.997 1.00 0.00 C ATOM 678 CG LEU A 44 -1.001 3.499 -10.756 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.259 4.206 -9.633 1.00 0.00 C ATOM 680 CD2 LEU A 44 -1.172 2.020 -10.437 1.00 0.00 C ATOM 0 H LEU A 44 -3.152 2.813 -9.090 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.314 5.455 -9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.038 3.403 -11.404 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.241 4.923 -11.761 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.409 3.588 -11.667 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.707 3.725 -9.476 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.105 5.251 -9.900 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.846 4.149 -8.716 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.194 1.569 -10.268 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.782 1.909 -9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.662 1.522 -11.273 1.00 0.00 H new ATOM 692 N SER A 45 -5.226 4.944 -10.787 1.00 0.00 N ATOM 693 CA SER A 45 -6.435 5.615 -11.250 1.00 0.00 C ATOM 694 C SER A 45 -7.004 6.521 -10.162 1.00 0.00 C ATOM 695 O SER A 45 -7.239 7.707 -10.388 1.00 0.00 O ATOM 696 CB SER A 45 -7.484 4.585 -11.673 1.00 0.00 C ATOM 697 OG SER A 45 -8.372 5.128 -12.635 1.00 0.00 O ATOM 0 H SER A 45 -5.216 3.936 -10.944 1.00 0.00 H new ATOM 0 HA SER A 45 -6.173 6.231 -12.110 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.989 3.706 -12.085 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.046 4.254 -10.800 1.00 0.00 H new ATOM 0 HG SER A 45 -9.032 4.450 -12.891 1.00 0.00 H new ATOM 703 N GLU A 46 -7.223 5.951 -8.981 1.00 0.00 N ATOM 704 CA GLU A 46 -7.765 6.706 -7.858 1.00 0.00 C ATOM 705 C GLU A 46 -6.683 7.560 -7.203 1.00 0.00 C ATOM 706 O GLU A 46 -6.923 8.213 -6.187 1.00 0.00 O ATOM 707 CB GLU A 46 -8.377 5.758 -6.824 1.00 0.00 C ATOM 708 CG GLU A 46 -9.623 5.042 -7.318 1.00 0.00 C ATOM 709 CD GLU A 46 -10.834 5.954 -7.381 1.00 0.00 C ATOM 710 OE1 GLU A 46 -11.485 6.149 -6.333 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.129 6.473 -8.478 1.00 0.00 O ATOM 0 H GLU A 46 -7.033 4.970 -8.778 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.543 7.366 -8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.631 5.016 -6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.625 6.324 -5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.432 4.629 -8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.840 4.201 -6.659 1.00 0.00 H new ATOM 718 N ARG A 47 -5.492 7.549 -7.792 1.00 0.00 N ATOM 719 CA ARG A 47 -4.372 8.320 -7.266 1.00 0.00 C ATOM 720 C ARG A 47 -4.267 8.162 -5.752 1.00 0.00 C ATOM 721 O ARG A 47 -4.049 9.135 -5.029 1.00 0.00 O ATOM 722 CB ARG A 47 -4.530 9.799 -7.625 1.00 0.00 C ATOM 723 CG ARG A 47 -4.507 10.068 -9.121 1.00 0.00 C ATOM 724 CD ARG A 47 -3.112 9.887 -9.698 1.00 0.00 C ATOM 725 NE ARG A 47 -2.236 11.010 -9.374 1.00 0.00 N ATOM 726 CZ ARG A 47 -2.378 12.226 -9.889 1.00 0.00 C ATOM 727 NH1 ARG A 47 -3.357 12.475 -10.748 1.00 0.00 N ATOM 728 NH2 ARG A 47 -1.541 13.196 -9.545 1.00 0.00 N ATOM 0 H ARG A 47 -5.278 7.015 -8.634 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.457 7.939 -7.719 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.470 10.166 -7.213 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.730 10.367 -7.150 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.200 9.394 -9.624 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.853 11.083 -9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.677 8.965 -9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.179 9.780 -10.781 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.473 10.852 -8.716 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.003 11.732 -11.014 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.464 13.410 -11.142 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.787 13.008 -8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.651 14.129 -9.941 1.00 0.00 H new ATOM 742 N VAL A 48 -4.425 6.930 -5.278 1.00 0.00 N ATOM 743 CA VAL A 48 -4.347 6.644 -3.851 1.00 0.00 C ATOM 744 C VAL A 48 -2.906 6.697 -3.357 1.00 0.00 C ATOM 745 O VAL A 48 -2.184 5.702 -3.408 1.00 0.00 O ATOM 746 CB VAL A 48 -4.940 5.261 -3.522 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.786 4.952 -2.041 1.00 0.00 C ATOM 748 CG2 VAL A 48 -6.401 5.195 -3.940 1.00 0.00 C ATOM 0 H VAL A 48 -4.608 6.114 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.931 7.412 -3.343 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.390 4.506 -4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.211 3.971 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.729 4.955 -1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.308 5.708 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.804 4.211 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.967 5.959 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.481 5.368 -5.013 1.00 0.00 H new ATOM 758 N ASN A 49 -2.493 7.867 -2.879 1.00 0.00 N ATOM 759 CA ASN A 49 -1.136 8.050 -2.375 1.00 0.00 C ATOM 760 C ASN A 49 -0.989 7.455 -0.978 1.00 0.00 C ATOM 761 O ASN A 49 -1.962 6.993 -0.383 1.00 0.00 O ATOM 762 CB ASN A 49 -0.777 9.537 -2.348 1.00 0.00 C ATOM 763 CG ASN A 49 -1.614 10.317 -1.352 1.00 0.00 C ATOM 764 OD1 ASN A 49 -2.843 10.240 -1.363 1.00 0.00 O ATOM 765 ND2 ASN A 49 -0.950 11.072 -0.485 1.00 0.00 N ATOM 0 H ASN A 49 -3.078 8.701 -2.830 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.453 7.529 -3.046 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.278 9.649 -2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.915 9.959 -3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.459 11.619 0.209 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.069 11.105 -0.513 1.00 0.00 H new ATOM 772 N GLY A 50 0.235 7.471 -0.460 1.00 0.00 N ATOM 773 CA GLY A 50 0.487 6.931 0.864 1.00 0.00 C ATOM 774 C GLY A 50 -0.440 7.511 1.913 1.00 0.00 C ATOM 775 O GLY A 50 -1.158 6.776 2.591 1.00 0.00 O ATOM 0 H GLY A 50 1.056 7.848 -0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.370 5.848 0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.520 7.134 1.145 1.00 0.00 H new ATOM 779 N ARG A 51 -0.423 8.833 2.049 1.00 0.00 N ATOM 780 CA ARG A 51 -1.266 9.511 3.026 1.00 0.00 C ATOM 781 C ARG A 51 -2.675 8.925 3.028 1.00 0.00 C ATOM 782 O ARG A 51 -3.304 8.796 4.079 1.00 0.00 O ATOM 783 CB ARG A 51 -1.326 11.010 2.727 1.00 0.00 C ATOM 784 CG ARG A 51 -1.521 11.871 3.964 1.00 0.00 C ATOM 785 CD ARG A 51 -2.787 11.489 4.715 1.00 0.00 C ATOM 786 NE ARG A 51 -3.369 12.626 5.422 1.00 0.00 N ATOM 787 CZ ARG A 51 -3.968 13.642 4.811 1.00 0.00 C ATOM 788 NH1 ARG A 51 -4.064 13.662 3.489 1.00 0.00 N ATOM 789 NH2 ARG A 51 -4.474 14.641 5.524 1.00 0.00 N ATOM 0 H ARG A 51 0.165 9.455 1.495 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.827 9.362 4.013 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.404 11.309 2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.142 11.200 2.030 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.659 11.763 4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.571 12.920 3.674 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.517 11.087 4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.560 10.697 5.428 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.313 12.641 6.440 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.677 12.896 2.938 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.525 14.444 3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.403 14.629 6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.934 15.421 5.054 1.00 0.00 H new ATOM 803 N LEU A 52 -3.165 8.573 1.845 1.00 0.00 N ATOM 804 CA LEU A 52 -4.500 8.001 1.709 1.00 0.00 C ATOM 805 C LEU A 52 -4.488 6.508 2.023 1.00 0.00 C ATOM 806 O LEU A 52 -5.431 5.979 2.612 1.00 0.00 O ATOM 807 CB LEU A 52 -5.034 8.232 0.294 1.00 0.00 C ATOM 808 CG LEU A 52 -6.435 7.689 0.008 1.00 0.00 C ATOM 809 CD1 LEU A 52 -7.448 8.292 0.968 1.00 0.00 C ATOM 810 CD2 LEU A 52 -6.831 7.968 -1.434 1.00 0.00 C ATOM 0 H LEU A 52 -2.658 8.674 0.966 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.156 8.498 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.035 9.304 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.339 7.779 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.423 6.609 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.439 7.894 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.174 8.040 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.459 9.376 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.831 7.575 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.826 9.043 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.121 7.486 -2.106 1.00 0.00 H new ATOM 822 N LEU A 53 -3.413 5.836 1.628 1.00 0.00 N ATOM 823 CA LEU A 53 -3.275 4.403 1.868 1.00 0.00 C ATOM 824 C LEU A 53 -3.304 4.097 3.363 1.00 0.00 C ATOM 825 O LEU A 53 -3.787 3.045 3.783 1.00 0.00 O ATOM 826 CB LEU A 53 -1.973 3.885 1.255 1.00 0.00 C ATOM 827 CG LEU A 53 -1.967 2.415 0.836 1.00 0.00 C ATOM 828 CD1 LEU A 53 -0.570 1.986 0.413 1.00 0.00 C ATOM 829 CD2 LEU A 53 -2.476 1.536 1.969 1.00 0.00 C ATOM 0 H LEU A 53 -2.624 6.260 1.140 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.117 3.898 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.740 4.492 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.169 4.040 1.974 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.635 2.297 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.585 0.937 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.242 2.595 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.119 2.119 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.465 0.493 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.833 1.658 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.495 1.827 2.225 1.00 0.00 H new ATOM 841 N LEU A 54 -2.785 5.023 4.161 1.00 0.00 N ATOM 842 CA LEU A 54 -2.753 4.854 5.609 1.00 0.00 C ATOM 843 C LEU A 54 -4.148 5.005 6.206 1.00 0.00 C ATOM 844 O LEU A 54 -4.600 4.159 6.979 1.00 0.00 O ATOM 845 CB LEU A 54 -1.803 5.874 6.241 1.00 0.00 C ATOM 846 CG LEU A 54 -0.311 5.550 6.145 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.523 6.774 6.489 1.00 0.00 C ATOM 848 CD2 LEU A 54 0.042 4.387 7.061 1.00 0.00 C ATOM 0 H LEU A 54 -2.380 5.899 3.830 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.392 3.848 5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.975 6.842 5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.064 5.981 7.294 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.087 5.259 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.582 6.525 6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.290 7.580 5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.295 7.095 7.505 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.107 4.170 6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.197 4.650 8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.531 3.507 6.769 1.00 0.00 H new ATOM 860 N THR A 55 -4.829 6.087 5.842 1.00 0.00 N ATOM 861 CA THR A 55 -6.173 6.348 6.340 1.00 0.00 C ATOM 862 C THR A 55 -7.098 5.166 6.072 1.00 0.00 C ATOM 863 O THR A 55 -7.948 4.830 6.897 1.00 0.00 O ATOM 864 CB THR A 55 -6.775 7.612 5.698 1.00 0.00 C ATOM 865 OG1 THR A 55 -7.076 7.366 4.320 1.00 0.00 O ATOM 866 CG2 THR A 55 -5.813 8.786 5.810 1.00 0.00 C ATOM 0 H THR A 55 -4.471 6.797 5.203 1.00 0.00 H new ATOM 0 HA THR A 55 -6.087 6.502 7.416 1.00 0.00 H new ATOM 0 HB THR A 55 -7.693 7.862 6.231 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.339 6.869 3.908 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.260 9.667 5.350 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.608 8.990 6.861 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.881 8.543 5.299 1.00 0.00 H new ATOM 874 N LEU A 56 -6.928 4.539 4.913 1.00 0.00 N ATOM 875 CA LEU A 56 -7.747 3.393 4.536 1.00 0.00 C ATOM 876 C LEU A 56 -7.665 2.293 5.590 1.00 0.00 C ATOM 877 O LEU A 56 -6.578 1.933 6.044 1.00 0.00 O ATOM 878 CB LEU A 56 -7.303 2.847 3.178 1.00 0.00 C ATOM 879 CG LEU A 56 -7.568 3.750 1.973 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.719 3.321 0.787 1.00 0.00 C ATOM 881 CD2 LEU A 56 -9.045 3.731 1.607 1.00 0.00 C ATOM 0 H LEU A 56 -6.230 4.805 4.218 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.782 3.727 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.234 2.640 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.805 1.894 3.010 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.293 4.770 2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.921 3.975 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.664 3.387 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.962 2.293 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.215 4.379 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.345 2.713 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.634 4.087 2.452 1.00 0.00 H new ATOM 893 N THR A 57 -8.820 1.761 5.975 1.00 0.00 N ATOM 894 CA THR A 57 -8.879 0.702 6.974 1.00 0.00 C ATOM 895 C THR A 57 -9.352 -0.610 6.359 1.00 0.00 C ATOM 896 O THR A 57 -9.934 -0.622 5.275 1.00 0.00 O ATOM 897 CB THR A 57 -9.817 1.078 8.137 1.00 0.00 C ATOM 898 OG1 THR A 57 -11.162 1.196 7.662 1.00 0.00 O ATOM 899 CG2 THR A 57 -9.384 2.386 8.780 1.00 0.00 C ATOM 0 H THR A 57 -9.728 2.047 5.610 1.00 0.00 H new ATOM 0 HA THR A 57 -7.867 0.575 7.359 1.00 0.00 H new ATOM 0 HB THR A 57 -9.765 0.289 8.887 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.752 1.433 8.407 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.061 2.631 9.598 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.370 2.283 9.166 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.410 3.183 8.037 1.00 0.00 H new ATOM 907 N GLU A 58 -9.098 -1.712 7.057 1.00 0.00 N ATOM 908 CA GLU A 58 -9.499 -3.029 6.577 1.00 0.00 C ATOM 909 C GLU A 58 -10.821 -2.953 5.819 1.00 0.00 C ATOM 910 O GLU A 58 -10.969 -3.543 4.749 1.00 0.00 O ATOM 911 CB GLU A 58 -9.626 -4.006 7.748 1.00 0.00 C ATOM 912 CG GLU A 58 -10.328 -5.304 7.384 1.00 0.00 C ATOM 913 CD GLU A 58 -10.810 -6.068 8.603 1.00 0.00 C ATOM 914 OE1 GLU A 58 -11.843 -5.670 9.181 1.00 0.00 O ATOM 915 OE2 GLU A 58 -10.155 -7.062 8.978 1.00 0.00 O ATOM 0 H GLU A 58 -8.617 -1.719 7.956 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.729 -3.388 5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.631 -4.235 8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.173 -3.521 8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.178 -5.084 6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.647 -5.933 6.811 1.00 0.00 H new ATOM 922 N GLU A 59 -11.779 -2.222 6.382 1.00 0.00 N ATOM 923 CA GLU A 59 -13.088 -2.070 5.760 1.00 0.00 C ATOM 924 C GLU A 59 -12.965 -1.420 4.385 1.00 0.00 C ATOM 925 O GLU A 59 -13.162 -2.071 3.360 1.00 0.00 O ATOM 926 CB GLU A 59 -14.007 -1.233 6.652 1.00 0.00 C ATOM 927 CG GLU A 59 -14.814 -2.059 7.640 1.00 0.00 C ATOM 928 CD GLU A 59 -13.987 -3.141 8.307 1.00 0.00 C ATOM 929 OE1 GLU A 59 -13.179 -2.804 9.199 1.00 0.00 O ATOM 930 OE2 GLU A 59 -14.148 -4.323 7.939 1.00 0.00 O ATOM 0 H GLU A 59 -11.672 -1.727 7.267 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.520 -3.063 5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.405 -0.510 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.691 -0.665 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.229 -1.402 8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.656 -2.518 7.122 1.00 0.00 H new ATOM 937 N GLU A 60 -12.639 -0.131 4.374 1.00 0.00 N ATOM 938 CA GLU A 60 -12.491 0.608 3.125 1.00 0.00 C ATOM 939 C GLU A 60 -11.849 -0.264 2.050 1.00 0.00 C ATOM 940 O GLU A 60 -12.246 -0.224 0.885 1.00 0.00 O ATOM 941 CB GLU A 60 -11.649 1.866 3.348 1.00 0.00 C ATOM 942 CG GLU A 60 -12.433 3.027 3.935 1.00 0.00 C ATOM 943 CD GLU A 60 -13.197 3.807 2.883 1.00 0.00 C ATOM 944 OE1 GLU A 60 -12.697 3.916 1.745 1.00 0.00 O ATOM 945 OE2 GLU A 60 -14.297 4.307 3.199 1.00 0.00 O ATOM 0 H GLU A 60 -12.473 0.422 5.214 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.485 0.900 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.820 1.625 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.215 2.176 2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.133 2.648 4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.748 3.698 4.453 1.00 0.00 H new ATOM 952 N PHE A 61 -10.855 -1.049 2.449 1.00 0.00 N ATOM 953 CA PHE A 61 -10.156 -1.930 1.520 1.00 0.00 C ATOM 954 C PHE A 61 -11.114 -2.954 0.917 1.00 0.00 C ATOM 955 O PHE A 61 -11.066 -3.233 -0.281 1.00 0.00 O ATOM 956 CB PHE A 61 -9.007 -2.647 2.231 1.00 0.00 C ATOM 957 CG PHE A 61 -7.821 -1.764 2.494 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.052 -1.284 1.447 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.474 -1.415 3.790 1.00 0.00 C ATOM 960 CE1 PHE A 61 -5.960 -0.471 1.685 1.00 0.00 C ATOM 961 CE2 PHE A 61 -6.384 -0.602 4.034 1.00 0.00 C ATOM 962 CZ PHE A 61 -5.625 -0.130 2.981 1.00 0.00 C ATOM 0 H PHE A 61 -10.515 -1.094 3.410 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.750 -1.319 0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.369 -3.047 3.178 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.690 -3.497 1.627 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.309 -1.548 0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.062 -1.783 4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.370 -0.103 0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.125 -0.336 5.048 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.772 0.504 3.170 1.00 0.00 H new ATOM 972 N SER A 62 -11.981 -3.510 1.756 1.00 0.00 N ATOM 973 CA SER A 62 -12.947 -4.506 1.307 1.00 0.00 C ATOM 974 C SER A 62 -14.199 -3.836 0.749 1.00 0.00 C ATOM 975 O SER A 62 -15.143 -4.508 0.333 1.00 0.00 O ATOM 976 CB SER A 62 -13.325 -5.437 2.461 1.00 0.00 C ATOM 977 OG SER A 62 -14.485 -6.190 2.150 1.00 0.00 O ATOM 0 H SER A 62 -12.035 -3.288 2.750 1.00 0.00 H new ATOM 0 HA SER A 62 -12.485 -5.092 0.513 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.496 -6.112 2.674 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.499 -4.851 3.363 1.00 0.00 H new ATOM 0 HG SER A 62 -14.781 -5.974 1.241 1.00 0.00 H new ATOM 983 N ARG A 63 -14.199 -2.507 0.744 1.00 0.00 N ATOM 984 CA ARG A 63 -15.334 -1.745 0.238 1.00 0.00 C ATOM 985 C ARG A 63 -14.995 -1.084 -1.095 1.00 0.00 C ATOM 986 O ARG A 63 -13.858 -0.671 -1.323 1.00 0.00 O ATOM 987 CB ARG A 63 -15.755 -0.682 1.255 1.00 0.00 C ATOM 988 CG ARG A 63 -16.088 -1.248 2.625 1.00 0.00 C ATOM 989 CD ARG A 63 -17.420 -1.980 2.617 1.00 0.00 C ATOM 990 NE ARG A 63 -18.529 -1.097 2.264 1.00 0.00 N ATOM 991 CZ ARG A 63 -19.771 -1.521 2.061 1.00 0.00 C ATOM 992 NH1 ARG A 63 -20.062 -2.810 2.175 1.00 0.00 N ATOM 993 NH2 ARG A 63 -20.725 -0.656 1.743 1.00 0.00 N ATOM 0 H ARG A 63 -13.426 -1.936 1.085 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.162 -2.436 0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.952 0.048 1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.624 -0.148 0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.299 -1.931 2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.120 -0.440 3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.375 -2.806 1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -17.601 -2.414 3.601 1.00 0.00 H new ATOM 0 HE ARG A 63 -18.339 -0.099 2.168 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -19.331 -3.478 2.419 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -21.017 -3.133 2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -20.505 0.336 1.654 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -21.679 -0.983 1.587 1.00 0.00 H new ATOM 1007 N ALA A 64 -15.989 -0.987 -1.971 1.00 0.00 N ATOM 1008 CA ALA A 64 -15.797 -0.375 -3.280 1.00 0.00 C ATOM 1009 C ALA A 64 -15.142 0.996 -3.154 1.00 0.00 C ATOM 1010 O ALA A 64 -15.298 1.696 -2.153 1.00 0.00 O ATOM 1011 CB ALA A 64 -17.127 -0.262 -4.010 1.00 0.00 C ATOM 0 H ALA A 64 -16.936 -1.324 -1.798 1.00 0.00 H new ATOM 0 HA ALA A 64 -15.131 -1.015 -3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.969 0.197 -4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.556 -1.256 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.811 0.354 -3.426 1.00 0.00 H new ATOM 1017 N PRO A 65 -14.390 1.391 -4.192 1.00 0.00 N ATOM 1018 CA PRO A 65 -14.196 0.567 -5.388 1.00 0.00 C ATOM 1019 C PRO A 65 -13.341 -0.665 -5.111 1.00 0.00 C ATOM 1020 O PRO A 65 -13.646 -1.763 -5.578 1.00 0.00 O ATOM 1021 CB PRO A 65 -13.478 1.510 -6.357 1.00 0.00 C ATOM 1022 CG PRO A 65 -12.786 2.497 -5.481 1.00 0.00 C ATOM 1023 CD PRO A 65 -13.670 2.673 -4.277 1.00 0.00 C ATOM 0 HA PRO A 65 -15.139 0.178 -5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.768 0.969 -6.983 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.183 2.001 -7.027 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.799 2.137 -5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.640 3.444 -6.000 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.088 2.867 -3.376 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.355 3.511 -4.401 1.00 0.00 H new ATOM 1031 N TYR A 66 -12.269 -0.476 -4.350 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.368 -1.572 -4.012 1.00 0.00 C ATOM 1033 C TYR A 66 -12.146 -2.862 -3.773 1.00 0.00 C ATOM 1034 O TYR A 66 -11.749 -3.935 -4.229 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.547 -1.220 -2.771 1.00 0.00 C ATOM 1036 CG TYR A 66 -10.224 0.252 -2.655 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -9.292 0.847 -3.497 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -10.849 1.049 -1.704 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -8.993 2.192 -3.395 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -10.557 2.394 -1.596 1.00 0.00 C ATOM 1041 CZ TYR A 66 -9.628 2.961 -2.443 1.00 0.00 C ATOM 1042 OH TYR A 66 -9.334 4.301 -2.337 1.00 0.00 O ATOM 0 H TYR A 66 -12.002 0.426 -3.955 1.00 0.00 H new ATOM 0 HA TYR A 66 -10.693 -1.727 -4.854 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.095 -1.534 -1.882 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.616 -1.787 -2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.793 0.248 -4.244 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -11.576 0.609 -1.038 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.266 2.638 -4.057 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -11.054 2.999 -0.852 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.869 4.697 -1.618 1.00 0.00 H new ATOM 1052 N THR A 67 -13.258 -2.750 -3.054 1.00 0.00 N ATOM 1053 CA THR A 67 -14.093 -3.906 -2.752 1.00 0.00 C ATOM 1054 C THR A 67 -13.257 -5.177 -2.653 1.00 0.00 C ATOM 1055 O THR A 67 -13.686 -6.248 -3.085 1.00 0.00 O ATOM 1056 CB THR A 67 -15.185 -4.105 -3.820 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.281 -4.844 -3.269 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.630 -4.839 -5.031 1.00 0.00 C ATOM 0 H THR A 67 -13.602 -1.870 -2.670 1.00 0.00 H new ATOM 0 HA THR A 67 -14.567 -3.711 -1.790 1.00 0.00 H new ATOM 0 HB THR A 67 -15.534 -3.123 -4.139 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.957 -5.703 -2.925 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.419 -4.968 -5.772 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.816 -4.260 -5.466 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.257 -5.816 -4.725 1.00 0.00 H new ATOM 1066 N ILE A 68 -12.064 -5.052 -2.083 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.169 -6.192 -1.927 1.00 0.00 C ATOM 1068 C ILE A 68 -11.917 -7.408 -1.390 1.00 0.00 C ATOM 1069 O ILE A 68 -12.049 -7.581 -0.179 1.00 0.00 O ATOM 1070 CB ILE A 68 -9.999 -5.864 -0.981 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -9.012 -4.916 -1.665 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.298 -7.141 -0.543 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -7.995 -4.317 -0.720 1.00 0.00 C ATOM 0 H ILE A 68 -11.694 -4.173 -1.721 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.772 -6.420 -2.916 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.396 -5.368 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.489 -5.457 -2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.568 -4.111 -2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.473 -6.893 0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -10.007 -7.784 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.911 -7.662 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.329 -3.656 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.509 -3.748 0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.413 -5.115 -0.258 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.401 -8.247 -2.300 1.00 0.00 N ATOM 1086 CA GLU A 69 -13.135 -9.448 -1.916 1.00 0.00 C ATOM 1087 C GLU A 69 -12.178 -10.599 -1.620 1.00 0.00 C ATOM 1088 O GLU A 69 -12.433 -11.743 -1.991 1.00 0.00 O ATOM 1089 CB GLU A 69 -14.109 -9.853 -3.024 1.00 0.00 C ATOM 1090 CG GLU A 69 -14.958 -8.702 -3.539 1.00 0.00 C ATOM 1091 CD GLU A 69 -16.268 -9.169 -4.142 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -16.289 -10.261 -4.747 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -17.274 -8.440 -4.009 1.00 0.00 O ATOM 0 H GLU A 69 -12.299 -8.118 -3.307 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.699 -9.224 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.545 -10.277 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.765 -10.639 -2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.164 -8.013 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.395 -8.147 -4.289 1.00 0.00 H new ATOM 1100 N ASN A 70 -11.074 -10.285 -0.949 1.00 0.00 N ATOM 1101 CA ASN A 70 -10.077 -11.292 -0.603 1.00 0.00 C ATOM 1102 C ASN A 70 -9.386 -10.944 0.712 1.00 0.00 C ATOM 1103 O ASN A 70 -8.580 -10.016 0.775 1.00 0.00 O ATOM 1104 CB ASN A 70 -9.039 -11.416 -1.721 1.00 0.00 C ATOM 1105 CG ASN A 70 -8.460 -12.815 -1.818 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -8.827 -13.590 -2.701 1.00 0.00 O ATOM 1107 ND2 ASN A 70 -7.551 -13.143 -0.908 1.00 0.00 N ATOM 0 H ASN A 70 -10.847 -9.342 -0.634 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.588 -12.247 -0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.500 -11.149 -2.672 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.233 -10.703 -1.546 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.126 -14.070 -0.923 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.277 -12.468 -0.194 1.00 0.00 H new ATOM 1114 N SER A 71 -9.707 -11.696 1.759 1.00 0.00 N ATOM 1115 CA SER A 71 -9.119 -11.466 3.074 1.00 0.00 C ATOM 1116 C SER A 71 -7.596 -11.518 3.005 1.00 0.00 C ATOM 1117 O SER A 71 -6.916 -10.542 3.320 1.00 0.00 O ATOM 1118 CB SER A 71 -9.632 -12.504 4.074 1.00 0.00 C ATOM 1119 OG SER A 71 -11.040 -12.424 4.215 1.00 0.00 O ATOM 0 H SER A 71 -10.371 -12.470 1.723 1.00 0.00 H new ATOM 0 HA SER A 71 -9.416 -10.472 3.409 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.353 -13.504 3.741 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.157 -12.347 5.042 1.00 0.00 H new ATOM 0 HG SER A 71 -11.343 -13.099 4.858 1.00 0.00 H new ATOM 1125 N SER A 72 -7.068 -12.666 2.591 1.00 0.00 N ATOM 1126 CA SER A 72 -5.625 -12.849 2.484 1.00 0.00 C ATOM 1127 C SER A 72 -4.943 -11.551 2.063 1.00 0.00 C ATOM 1128 O SER A 72 -3.924 -11.158 2.631 1.00 0.00 O ATOM 1129 CB SER A 72 -5.303 -13.957 1.480 1.00 0.00 C ATOM 1130 OG SER A 72 -5.571 -15.236 2.028 1.00 0.00 O ATOM 0 H SER A 72 -7.618 -13.483 2.324 1.00 0.00 H new ATOM 0 HA SER A 72 -5.246 -13.137 3.465 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.894 -13.815 0.575 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.254 -13.895 1.189 1.00 0.00 H new ATOM 0 HG SER A 72 -5.359 -15.927 1.366 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.513 -10.888 1.061 1.00 0.00 N ATOM 1137 CA HIS A 73 -4.961 -9.634 0.562 1.00 0.00 C ATOM 1138 C HIS A 73 -4.921 -8.581 1.666 1.00 0.00 C ATOM 1139 O HIS A 73 -3.866 -8.023 1.966 1.00 0.00 O ATOM 1140 CB HIS A 73 -5.788 -9.122 -0.618 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.578 -9.901 -1.879 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -6.523 -9.981 -2.880 1.00 0.00 N ATOM 1143 CD2 HIS A 73 -4.522 -10.636 -2.301 1.00 0.00 C ATOM 1144 CE1 HIS A 73 -6.058 -10.734 -3.862 1.00 0.00 C ATOM 1145 NE2 HIS A 73 -4.846 -11.143 -3.535 1.00 0.00 N ATOM 0 H HIS A 73 -6.357 -11.199 0.579 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.941 -9.822 0.226 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.845 -9.155 -0.352 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.538 -8.077 -0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.597 -10.794 -1.766 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.581 -10.974 -4.776 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.247 -11.739 -4.107 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.077 -8.314 2.265 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.174 -7.327 3.333 1.00 0.00 C ATOM 1156 C ARG A 74 -5.148 -7.608 4.427 1.00 0.00 C ATOM 1157 O ARG A 74 -4.475 -6.696 4.909 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.583 -7.326 3.929 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.573 -6.476 3.150 1.00 0.00 C ATOM 1160 CD ARG A 74 -9.747 -6.051 4.018 1.00 0.00 C ATOM 1161 NE ARG A 74 -10.382 -7.190 4.676 1.00 0.00 N ATOM 1162 CZ ARG A 74 -11.084 -8.114 4.029 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -11.239 -8.034 2.715 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -11.631 -9.121 4.698 1.00 0.00 N ATOM 0 H ARG A 74 -6.959 -8.768 2.029 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.966 -6.345 2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.951 -8.351 3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.534 -6.963 4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.068 -5.592 2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.939 -7.038 2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.403 -5.343 4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.482 -5.531 3.404 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.281 -7.281 5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.819 -7.262 2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.778 -8.745 2.221 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.513 -9.186 5.709 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.170 -9.830 4.201 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.035 -8.874 4.815 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.093 -9.274 5.853 1.00 0.00 C ATOM 1180 C ARG A 75 -2.677 -8.821 5.506 1.00 0.00 C ATOM 1181 O ARG A 75 -2.044 -8.090 6.268 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.122 -10.792 6.041 1.00 0.00 C ATOM 1183 CG ARG A 75 -2.782 -11.381 6.448 1.00 0.00 C ATOM 1184 CD ARG A 75 -2.231 -10.705 7.694 1.00 0.00 C ATOM 1185 NE ARG A 75 -1.465 -11.629 8.525 1.00 0.00 N ATOM 1186 CZ ARG A 75 -1.302 -11.478 9.835 1.00 0.00 C ATOM 1187 NH1 ARG A 75 -1.851 -10.445 10.459 1.00 0.00 N ATOM 1188 NH2 ARG A 75 -0.591 -12.361 10.523 1.00 0.00 N ATOM 0 H ARG A 75 -5.584 -9.640 4.426 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.392 -8.794 6.785 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.864 -11.042 6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.447 -11.259 5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.894 -12.450 6.632 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.071 -11.271 5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.596 -9.869 7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.055 -10.292 8.276 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.031 -12.435 8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.400 -9.764 9.933 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.725 -10.331 11.465 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.168 -13.158 10.047 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.467 -12.243 11.529 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.187 -9.260 4.352 1.00 0.00 N ATOM 1203 CA VAL A 76 -0.847 -8.900 3.903 1.00 0.00 C ATOM 1204 C VAL A 76 -0.665 -7.387 3.876 1.00 0.00 C ATOM 1205 O VAL A 76 0.246 -6.850 4.507 1.00 0.00 O ATOM 1206 CB VAL A 76 -0.553 -9.467 2.502 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.868 -9.129 2.076 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -0.782 -10.971 2.477 1.00 0.00 C ATOM 0 H VAL A 76 -2.698 -9.866 3.710 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.147 -9.335 4.616 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.239 -9.006 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.057 -9.538 1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.993 -8.046 2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.573 -9.560 2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.570 -11.355 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.122 -11.452 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.819 -11.185 2.735 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.538 -6.705 3.142 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.474 -5.252 3.034 1.00 0.00 C ATOM 1220 C ILE A 77 -1.406 -4.601 4.411 1.00 0.00 C ATOM 1221 O ILE A 77 -0.354 -4.112 4.827 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.690 -4.691 2.273 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.546 -4.955 0.773 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.841 -3.201 2.542 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -3.819 -4.712 -0.008 1.00 0.00 C ATOM 0 H ILE A 77 -2.297 -7.135 2.614 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.567 -5.016 2.478 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.588 -5.197 2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.757 -4.317 0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.228 -5.987 0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.704 -2.819 1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.984 -3.037 3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.943 -2.679 2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.643 -4.919 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.605 -5.369 0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.127 -3.673 0.112 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.532 -4.599 5.115 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.600 -4.010 6.448 1.00 0.00 C ATOM 1239 C LEU A 78 -1.360 -4.362 7.263 1.00 0.00 C ATOM 1240 O LEU A 78 -0.601 -3.483 7.672 1.00 0.00 O ATOM 1241 CB LEU A 78 -3.857 -4.490 7.176 1.00 0.00 C ATOM 1242 CG LEU A 78 -5.111 -3.636 6.986 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -4.836 -2.191 7.375 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -5.600 -3.719 5.547 1.00 0.00 C ATOM 0 H LEU A 78 -3.411 -4.999 4.785 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.643 -2.926 6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.079 -5.504 6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.637 -4.544 8.242 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.894 -4.024 7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.739 -1.598 7.233 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.533 -2.147 8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.038 -1.791 6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.493 -3.105 5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.821 -3.357 4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.837 -4.754 5.302 1.00 0.00 H new ATOM 1256 N THR A 79 -1.159 -5.656 7.495 1.00 0.00 N ATOM 1257 CA THR A 79 -0.011 -6.125 8.260 1.00 0.00 C ATOM 1258 C THR A 79 1.268 -5.419 7.823 1.00 0.00 C ATOM 1259 O THR A 79 1.899 -4.717 8.612 1.00 0.00 O ATOM 1260 CB THR A 79 0.181 -7.647 8.110 1.00 0.00 C ATOM 1261 OG1 THR A 79 -0.837 -8.342 8.839 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.552 -8.072 8.613 1.00 0.00 C ATOM 0 H THR A 79 -1.777 -6.397 7.164 1.00 0.00 H new ATOM 0 HA THR A 79 -0.213 -5.892 9.306 1.00 0.00 H new ATOM 0 HB THR A 79 0.107 -7.898 7.052 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.684 -8.231 9.801 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.664 -9.150 8.497 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.325 -7.563 8.037 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.651 -7.808 9.666 1.00 0.00 H new ATOM 1270 N GLU A 80 1.642 -5.608 6.562 1.00 0.00 N ATOM 1271 CA GLU A 80 2.846 -4.988 6.022 1.00 0.00 C ATOM 1272 C GLU A 80 2.870 -3.492 6.325 1.00 0.00 C ATOM 1273 O GLU A 80 3.910 -2.937 6.681 1.00 0.00 O ATOM 1274 CB GLU A 80 2.929 -5.215 4.511 1.00 0.00 C ATOM 1275 CG GLU A 80 3.275 -6.644 4.128 1.00 0.00 C ATOM 1276 CD GLU A 80 4.770 -6.872 4.018 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.521 -6.278 4.819 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.189 -7.644 3.130 1.00 0.00 O ATOM 0 H GLU A 80 1.129 -6.185 5.895 1.00 0.00 H new ATOM 0 HA GLU A 80 3.709 -5.452 6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.974 -4.948 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.679 -4.544 4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.861 -7.326 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.803 -6.885 3.176 1.00 0.00 H new ATOM 1285 N LEU A 81 1.718 -2.847 6.180 1.00 0.00 N ATOM 1286 CA LEU A 81 1.606 -1.415 6.438 1.00 0.00 C ATOM 1287 C LEU A 81 1.934 -1.097 7.893 1.00 0.00 C ATOM 1288 O LEU A 81 2.597 -0.102 8.186 1.00 0.00 O ATOM 1289 CB LEU A 81 0.196 -0.926 6.102 1.00 0.00 C ATOM 1290 CG LEU A 81 0.084 0.524 5.627 1.00 0.00 C ATOM 1291 CD1 LEU A 81 0.507 0.643 4.172 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -1.335 1.039 5.816 1.00 0.00 C ATOM 0 H LEU A 81 0.849 -3.292 5.885 1.00 0.00 H new ATOM 0 HA LEU A 81 2.325 -0.898 5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.217 -1.574 5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.429 -1.047 6.987 1.00 0.00 H new ATOM 0 HG LEU A 81 0.754 1.136 6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.421 1.681 3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.541 0.315 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.137 0.018 3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.396 2.072 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.025 0.424 5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.602 0.991 6.872 1.00 0.00 H new ATOM 1304 N GLU A 82 1.466 -1.948 8.800 1.00 0.00 N ATOM 1305 CA GLU A 82 1.711 -1.757 10.225 1.00 0.00 C ATOM 1306 C GLU A 82 3.207 -1.761 10.525 1.00 0.00 C ATOM 1307 O GLU A 82 3.640 -1.306 11.584 1.00 0.00 O ATOM 1308 CB GLU A 82 1.014 -2.851 11.036 1.00 0.00 C ATOM 1309 CG GLU A 82 1.371 -2.834 12.513 1.00 0.00 C ATOM 1310 CD GLU A 82 0.258 -3.377 13.388 1.00 0.00 C ATOM 1311 OE1 GLU A 82 -0.357 -4.393 13.004 1.00 0.00 O ATOM 1312 OE2 GLU A 82 0.004 -2.786 14.458 1.00 0.00 O ATOM 0 H GLU A 82 0.915 -2.776 8.574 1.00 0.00 H new ATOM 0 HA GLU A 82 1.303 -0.787 10.511 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.065 -2.738 10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.275 -3.823 10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.274 -3.424 12.672 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.601 -1.812 12.816 1.00 0.00 H new ATOM 1319 N ARG A 83 3.992 -2.278 9.585 1.00 0.00 N ATOM 1320 CA ARG A 83 5.439 -2.343 9.748 1.00 0.00 C ATOM 1321 C ARG A 83 6.111 -1.119 9.133 1.00 0.00 C ATOM 1322 O ARG A 83 6.818 -0.377 9.815 1.00 0.00 O ATOM 1323 CB ARG A 83 5.989 -3.617 9.106 1.00 0.00 C ATOM 1324 CG ARG A 83 5.228 -4.873 9.496 1.00 0.00 C ATOM 1325 CD ARG A 83 6.000 -6.130 9.125 1.00 0.00 C ATOM 1326 NE ARG A 83 5.472 -7.315 9.798 1.00 0.00 N ATOM 1327 CZ ARG A 83 5.537 -7.505 11.111 1.00 0.00 C ATOM 1328 NH1 ARG A 83 6.103 -6.592 11.888 1.00 0.00 N ATOM 1329 NH2 ARG A 83 5.034 -8.608 11.648 1.00 0.00 N ATOM 0 H ARG A 83 3.650 -2.658 8.702 1.00 0.00 H new ATOM 0 HA ARG A 83 5.659 -2.358 10.815 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.962 -3.508 8.022 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.035 -3.734 9.389 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.037 -4.865 10.569 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.258 -4.881 8.999 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.957 -6.277 8.046 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.050 -6.001 9.388 1.00 0.00 H new ATOM 0 HE ARG A 83 5.029 -8.036 9.228 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.489 -5.742 11.478 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.152 -6.740 12.896 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.597 -9.311 11.053 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.084 -8.753 12.656 1.00 0.00 H new ATOM 1343 N VAL A 84 5.886 -0.914 7.839 1.00 0.00 N ATOM 1344 CA VAL A 84 6.469 0.219 7.131 1.00 0.00 C ATOM 1345 C VAL A 84 6.149 1.532 7.837 1.00 0.00 C ATOM 1346 O VAL A 84 6.990 2.427 7.915 1.00 0.00 O ATOM 1347 CB VAL A 84 5.962 0.294 5.678 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.605 -0.794 4.832 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.446 0.188 5.637 1.00 0.00 C ATOM 0 H VAL A 84 5.304 -1.519 7.260 1.00 0.00 H new ATOM 0 HA VAL A 84 7.548 0.067 7.124 1.00 0.00 H new ATOM 0 HB VAL A 84 6.246 1.260 5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.235 -0.726 3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.687 -0.666 4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.354 -1.771 5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.105 0.243 4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.136 -0.762 6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.008 1.007 6.207 1.00 0.00 H new ATOM 1359 N ARG A 85 4.928 1.638 8.351 1.00 0.00 N ATOM 1360 CA ARG A 85 4.496 2.842 9.052 1.00 0.00 C ATOM 1361 C ARG A 85 5.119 2.915 10.443 1.00 0.00 C ATOM 1362 O ARG A 85 5.622 3.960 10.855 1.00 0.00 O ATOM 1363 CB ARG A 85 2.971 2.874 9.161 1.00 0.00 C ATOM 1364 CG ARG A 85 2.427 2.065 10.328 1.00 0.00 C ATOM 1365 CD ARG A 85 0.914 2.184 10.431 1.00 0.00 C ATOM 1366 NE ARG A 85 0.506 3.411 11.109 1.00 0.00 N ATOM 1367 CZ ARG A 85 -0.761 3.747 11.322 1.00 0.00 C ATOM 1368 NH1 ARG A 85 -1.739 2.951 10.912 1.00 0.00 N ATOM 1369 NH2 ARG A 85 -1.053 4.880 11.947 1.00 0.00 N ATOM 0 H ARG A 85 4.221 0.905 8.295 1.00 0.00 H new ATOM 0 HA ARG A 85 4.830 3.706 8.478 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.644 3.909 9.263 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.541 2.494 8.234 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.703 1.018 10.206 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.884 2.410 11.256 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.480 2.161 9.431 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.519 1.323 10.970 1.00 0.00 H new ATOM 0 HE ARG A 85 1.234 4.045 11.437 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.519 2.078 10.432 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.711 3.211 11.077 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.304 5.495 12.265 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.027 5.136 12.110 1.00 0.00 H new ATOM 1383 N SER A 86 5.080 1.797 11.162 1.00 0.00 N ATOM 1384 CA SER A 86 5.637 1.735 12.508 1.00 0.00 C ATOM 1385 C SER A 86 7.152 1.908 12.478 1.00 0.00 C ATOM 1386 O SER A 86 7.755 2.019 11.411 1.00 0.00 O ATOM 1387 CB SER A 86 5.277 0.404 13.171 1.00 0.00 C ATOM 1388 OG SER A 86 6.055 0.187 14.335 1.00 0.00 O ATOM 0 H SER A 86 4.669 0.923 10.835 1.00 0.00 H new ATOM 0 HA SER A 86 5.208 2.550 13.090 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.218 0.398 13.431 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.436 -0.412 12.466 1.00 0.00 H new ATOM 0 HG SER A 86 5.805 -0.669 14.741 1.00 0.00 H new ATOM 1394 N GLY A 87 7.763 1.931 13.659 1.00 0.00 N ATOM 1395 CA GLY A 87 9.202 2.091 13.747 1.00 0.00 C ATOM 1396 C GLY A 87 9.938 0.767 13.686 1.00 0.00 C ATOM 1397 O GLY A 87 9.384 -0.257 13.284 1.00 0.00 O ATOM 0 H GLY A 87 7.286 1.842 14.556 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.544 2.731 12.933 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.452 2.599 14.678 1.00 0.00 H new ATOM 1401 N PRO A 88 11.217 0.776 14.089 1.00 0.00 N ATOM 1402 CA PRO A 88 12.057 -0.425 14.086 1.00 0.00 C ATOM 1403 C PRO A 88 11.628 -1.435 15.145 1.00 0.00 C ATOM 1404 O PRO A 88 10.798 -1.135 16.003 1.00 0.00 O ATOM 1405 CB PRO A 88 13.453 0.118 14.400 1.00 0.00 C ATOM 1406 CG PRO A 88 13.209 1.383 15.147 1.00 0.00 C ATOM 1407 CD PRO A 88 11.941 1.960 14.580 1.00 0.00 C ATOM 0 HA PRO A 88 11.996 -0.962 13.140 1.00 0.00 H new ATOM 0 HB2 PRO A 88 14.028 -0.590 14.997 1.00 0.00 H new ATOM 0 HB3 PRO A 88 14.021 0.300 13.488 1.00 0.00 H new ATOM 0 HG2 PRO A 88 13.107 1.192 16.215 1.00 0.00 H new ATOM 0 HG3 PRO A 88 14.042 2.075 15.025 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.369 2.495 15.338 1.00 0.00 H new ATOM 0 HD3 PRO A 88 12.146 2.668 13.777 1.00 0.00 H new ATOM 1415 N SER A 89 12.199 -2.634 15.079 1.00 0.00 N ATOM 1416 CA SER A 89 11.873 -3.689 16.030 1.00 0.00 C ATOM 1417 C SER A 89 13.121 -4.477 16.417 1.00 0.00 C ATOM 1418 O SER A 89 13.693 -5.197 15.599 1.00 0.00 O ATOM 1419 CB SER A 89 10.824 -4.633 15.438 1.00 0.00 C ATOM 1420 OG SER A 89 9.535 -4.046 15.466 1.00 0.00 O ATOM 0 H SER A 89 12.890 -2.898 14.376 1.00 0.00 H new ATOM 0 HA SER A 89 11.466 -3.222 16.927 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.092 -4.881 14.411 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.814 -5.568 15.999 1.00 0.00 H new ATOM 0 HG SER A 89 9.609 -3.107 15.738 1.00 0.00 H new ATOM 1426 N SER A 90 13.538 -4.333 17.671 1.00 0.00 N ATOM 1427 CA SER A 90 14.721 -5.027 18.167 1.00 0.00 C ATOM 1428 C SER A 90 14.722 -6.486 17.721 1.00 0.00 C ATOM 1429 O SER A 90 13.743 -7.206 17.913 1.00 0.00 O ATOM 1430 CB SER A 90 14.781 -4.949 19.694 1.00 0.00 C ATOM 1431 OG SER A 90 16.122 -4.971 20.153 1.00 0.00 O ATOM 0 H SER A 90 13.075 -3.742 18.362 1.00 0.00 H new ATOM 0 HA SER A 90 15.601 -4.537 17.750 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.292 -4.036 20.034 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.232 -5.785 20.126 1.00 0.00 H new ATOM 0 HG SER A 90 16.134 -4.918 21.132 1.00 0.00 H new ATOM 1437 N GLY A 91 15.830 -6.916 17.125 1.00 0.00 N ATOM 1438 CA GLY A 91 15.939 -8.286 16.660 1.00 0.00 C ATOM 1439 C GLY A 91 15.054 -8.564 15.461 1.00 0.00 C ATOM 1440 O GLY A 91 15.488 -9.188 14.493 1.00 0.00 O ATOM 0 H GLY A 91 16.654 -6.339 16.956 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.976 -8.496 16.399 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.671 -8.964 17.470 1.00 0.00 H new TER 1444 GLY A 91