USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 680 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 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 86 SER OG : rot 18:sc= 0.791 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.316 K(o=-0.32,f=-4.5!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.48! C(o=-2.5!,f=-3.6!) USER MOD Single : A 25 CYS SG : rot -150:sc= -2.21! USER MOD Single : A 26 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.12) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.635 X(o=-0.63,f=-0.15) USER MOD Single : A 35 HIS : no HD1:sc= -0.737 K(o=-0.74,f=-1.8!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -39:sc= 0.498! USER MOD Single : A 47 SER OG : rot 180:sc= 0.42 USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 57 ASN : amide:sc= -0.0726 X(o=-0.073,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -2.46! C(o=-2.5!,f=-3.4!) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= -0.0813 (180deg=-0.586) USER MOD Single : A 67 ASN : amide:sc=-0.00655 K(o=-0.0066,f=-0.85) USER MOD Single : A 71 GLN : amide:sc=-0.00176 K(o=-0.0018,f=-1.6!) USER MOD Single : A 73 SER OG : rot -93:sc= 0.648 USER MOD Single : A 74 CYS SG : rot 170:sc= 0.0609 USER MOD Single : A 83 MET CE :methyl -151:sc= -0.151 (180deg=-2.13!) USER MOD Single : A 85 THR OG1 : rot -160:sc= -0.55 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 56.568 5.030 -2.063 1.00 0.00 N ATOM 28 CA LYS A 3 57.190 6.332 -1.878 1.00 0.00 C ATOM 29 C LYS A 3 58.654 6.167 -1.499 1.00 0.00 C ATOM 30 O LYS A 3 58.969 5.549 -0.483 1.00 0.00 O ATOM 31 CB LYS A 3 56.483 7.105 -0.762 1.00 0.00 C ATOM 32 CG LYS A 3 56.882 8.580 -0.847 1.00 0.00 C ATOM 33 CD LYS A 3 56.136 9.385 0.215 1.00 0.00 C ATOM 34 CE LYS A 3 56.534 10.858 0.100 1.00 0.00 C ATOM 35 NZ LYS A 3 55.825 11.655 1.139 1.00 0.00 N1+ ATOM 0 HA LYS A 3 57.110 6.881 -2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.402 7.001 -0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 3 56.757 6.696 0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 3 57.958 8.683 -0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 3 56.653 8.971 -1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 3 55.060 9.275 0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 3 56.375 9.008 1.209 1.00 0.00 H new ATOM 0 HE2 LYS A 3 57.612 10.963 0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 3 56.286 11.235 -0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 56.099 12.655 1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 54.798 11.565 1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 56.083 11.302 2.083 1.00 0.00 H new ATOM 49 N ASN A 4 59.551 6.749 -2.293 1.00 0.00 N ATOM 50 CA ASN A 4 60.979 6.689 -2.005 1.00 0.00 C ATOM 51 C ASN A 4 61.541 8.099 -2.087 1.00 0.00 C ATOM 52 O ASN A 4 61.471 8.728 -3.143 1.00 0.00 O ATOM 53 CB ASN A 4 61.694 5.789 -3.017 1.00 0.00 C ATOM 54 CG ASN A 4 60.878 4.524 -3.264 1.00 0.00 C ATOM 55 OD1 ASN A 4 60.598 3.775 -2.330 1.00 0.00 O ATOM 56 ND2 ASN A 4 60.478 4.243 -4.475 1.00 0.00 N ATOM 0 H ASN A 4 59.313 7.266 -3.139 1.00 0.00 H new ATOM 0 HA ASN A 4 61.135 6.273 -1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 4 61.839 6.326 -3.954 1.00 0.00 H new ATOM 0 HB3 ASN A 4 62.684 5.525 -2.645 1.00 0.00 H new ATOM 0 HD21 ASN A 4 59.931 3.400 -4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 4 60.712 4.867 -5.247 1.00 0.00 H new ATOM 63 N THR A 5 62.120 8.603 -0.996 1.00 0.00 N ATOM 64 CA THR A 5 62.703 9.949 -1.022 1.00 0.00 C ATOM 65 C THR A 5 64.029 9.936 -0.279 1.00 0.00 C ATOM 66 O THR A 5 64.073 9.829 0.944 1.00 0.00 O ATOM 67 CB THR A 5 61.732 10.956 -0.385 1.00 0.00 C ATOM 68 OG1 THR A 5 60.624 11.149 -1.255 1.00 0.00 O ATOM 69 CG2 THR A 5 62.434 12.299 -0.152 1.00 0.00 C ATOM 0 H THR A 5 62.198 8.116 -0.103 1.00 0.00 H new ATOM 0 HA THR A 5 62.879 10.253 -2.054 1.00 0.00 H new ATOM 0 HB THR A 5 61.392 10.565 0.574 1.00 0.00 H new ATOM 0 HG1 THR A 5 60.000 11.789 -0.853 1.00 0.00 H new ATOM 0 HG21 THR A 5 61.734 13.002 0.300 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.284 12.154 0.515 1.00 0.00 H new ATOM 0 HG23 THR A 5 62.784 12.697 -1.105 1.00 0.00 H new ATOM 77 N VAL A 6 65.106 10.020 -1.041 1.00 0.00 N ATOM 78 CA VAL A 6 66.434 9.977 -0.460 1.00 0.00 C ATOM 79 C VAL A 6 66.717 11.227 0.351 1.00 0.00 C ATOM 80 O VAL A 6 66.600 12.348 -0.143 1.00 0.00 O ATOM 81 CB VAL A 6 67.494 9.817 -1.559 1.00 0.00 C ATOM 82 CG1 VAL A 6 67.619 11.122 -2.356 1.00 0.00 C ATOM 83 CG2 VAL A 6 68.844 9.477 -0.917 1.00 0.00 C ATOM 0 H VAL A 6 65.087 10.118 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 6 66.478 9.117 0.208 1.00 0.00 H new ATOM 0 HB VAL A 6 67.196 9.014 -2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.373 11.002 -3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 6 66.659 11.362 -2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 6 67.914 11.930 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 6 69.599 9.363 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 6 69.138 10.280 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.756 8.546 -0.357 1.00 0.00 H new ATOM 93 N VAL A 7 67.122 11.017 1.597 1.00 0.00 N ATOM 94 CA VAL A 7 67.462 12.115 2.486 1.00 0.00 C ATOM 95 C VAL A 7 68.951 12.385 2.384 1.00 0.00 C ATOM 96 O VAL A 7 69.400 13.528 2.446 1.00 0.00 O ATOM 97 CB VAL A 7 67.107 11.758 3.927 1.00 0.00 C ATOM 98 CG1 VAL A 7 67.306 12.989 4.815 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.647 11.296 3.994 1.00 0.00 C ATOM 0 H VAL A 7 67.223 10.092 2.014 1.00 0.00 H new ATOM 0 HA VAL A 7 66.899 13.002 2.196 1.00 0.00 H new ATOM 0 HB VAL A 7 67.752 10.952 4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.054 12.739 5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.346 13.310 4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.660 13.796 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.393 11.041 5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.995 12.098 3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.513 10.420 3.359 1.00 0.00 H new ATOM 109 N ARG A 8 69.713 11.305 2.229 1.00 0.00 N ATOM 110 CA ARG A 8 71.161 11.401 2.117 1.00 0.00 C ATOM 111 C ARG A 8 71.721 10.329 1.197 1.00 0.00 C ATOM 112 O ARG A 8 71.419 9.143 1.338 1.00 0.00 O ATOM 113 CB ARG A 8 71.799 11.272 3.510 1.00 0.00 C ATOM 114 CG ARG A 8 73.279 10.858 3.397 1.00 0.00 C ATOM 115 CD ARG A 8 73.945 11.032 4.757 1.00 0.00 C ATOM 116 NE ARG A 8 73.321 10.149 5.734 1.00 0.00 N ATOM 117 CZ ARG A 8 73.534 10.308 7.033 1.00 0.00 C ATOM 118 NH1 ARG A 8 72.806 11.152 7.708 1.00 0.00 N1+ ATOM 119 NH2 ARG A 8 74.468 9.624 7.633 1.00 0.00 N ATOM 0 H ARG A 8 69.349 10.354 2.178 1.00 0.00 H new ATOM 0 HA ARG A 8 71.401 12.374 1.688 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.722 12.221 4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 8 71.254 10.534 4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 8 73.357 9.821 3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.785 11.468 2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 8 75.009 10.810 4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 8 73.858 12.068 5.084 1.00 0.00 H new ATOM 0 HE ARG A 8 72.711 9.397 5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 8 72.076 11.687 7.237 1.00 0.00 H new ATOM 0 HH12 ARG A 8 72.966 11.278 8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 8 75.037 8.964 7.103 1.00 0.00 H new ATOM 0 HH22 ARG A 8 74.629 9.749 8.632 1.00 0.00 H new ATOM 133 N GLY A 9 72.572 10.761 0.284 1.00 0.00 N ATOM 134 CA GLY A 9 73.229 9.860 -0.637 1.00 0.00 C ATOM 135 C GLY A 9 74.581 9.457 -0.060 1.00 0.00 C ATOM 136 O GLY A 9 74.868 9.726 1.105 1.00 0.00 O ATOM 0 H GLY A 9 72.824 11.742 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.613 8.977 -0.803 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.362 10.343 -1.605 1.00 0.00 H new ATOM 140 N LEU A 10 75.413 8.827 -0.873 1.00 0.00 N ATOM 141 CA LEU A 10 76.733 8.417 -0.419 1.00 0.00 C ATOM 142 C LEU A 10 77.653 9.628 -0.389 1.00 0.00 C ATOM 143 O LEU A 10 77.394 10.625 -1.063 1.00 0.00 O ATOM 144 CB LEU A 10 77.283 7.339 -1.356 1.00 0.00 C ATOM 145 CG LEU A 10 76.403 6.075 -1.255 1.00 0.00 C ATOM 146 CD1 LEU A 10 76.580 5.220 -2.511 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.810 5.236 -0.036 1.00 0.00 C ATOM 0 H LEU A 10 75.201 8.590 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 10 76.670 8.002 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.296 7.706 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.313 7.101 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 10 75.364 6.388 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 10 75.957 4.329 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.284 5.796 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.625 4.925 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 10 76.180 4.348 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.853 4.935 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.686 5.828 0.871 1.00 0.00 H new ATOM 159 N GLU A 11 78.724 9.554 0.397 1.00 0.00 N ATOM 160 CA GLU A 11 79.664 10.667 0.505 1.00 0.00 C ATOM 161 C GLU A 11 81.094 10.147 0.474 1.00 0.00 C ATOM 162 O GLU A 11 81.335 8.954 0.655 1.00 0.00 O ATOM 163 CB GLU A 11 79.420 11.441 1.807 1.00 0.00 C ATOM 164 CG GLU A 11 79.402 10.479 3.001 1.00 0.00 C ATOM 165 CD GLU A 11 78.144 9.615 2.971 1.00 0.00 C ATOM 166 OE1 GLU A 11 77.142 10.076 2.449 1.00 0.00 O ATOM 167 OE2 GLU A 11 78.200 8.506 3.480 1.00 0.00 O1- ATOM 0 H GLU A 11 78.962 8.741 0.965 1.00 0.00 H new ATOM 0 HA GLU A 11 79.510 11.338 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.201 12.189 1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.472 11.976 1.748 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.287 9.844 2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.440 11.044 3.932 1.00 0.00 H new ATOM 174 N ASN A 12 82.041 11.045 0.240 1.00 0.00 N ATOM 175 CA ASN A 12 83.439 10.648 0.182 1.00 0.00 C ATOM 176 C ASN A 12 83.865 10.013 1.503 1.00 0.00 C ATOM 177 O ASN A 12 83.417 10.418 2.575 1.00 0.00 O ATOM 178 CB ASN A 12 84.322 11.856 -0.140 1.00 0.00 C ATOM 179 CG ASN A 12 84.145 12.941 0.914 1.00 0.00 C ATOM 180 OD1 ASN A 12 84.023 12.642 2.101 1.00 0.00 O ATOM 181 ND2 ASN A 12 84.119 14.194 0.549 1.00 0.00 N ATOM 0 H ASN A 12 81.870 12.039 0.089 1.00 0.00 H new ATOM 0 HA ASN A 12 83.559 9.910 -0.611 1.00 0.00 H new ATOM 0 HB2 ASN A 12 85.367 11.549 -0.183 1.00 0.00 H new ATOM 0 HB3 ASN A 12 84.065 12.250 -1.123 1.00 0.00 H new ATOM 0 HD21 ASN A 12 83.997 14.926 1.248 1.00 0.00 H new ATOM 0 HD22 ASN A 12 84.220 14.441 -0.436 1.00 0.00 H new ATOM 188 N VAL A 13 84.743 9.015 1.412 1.00 0.00 N ATOM 189 CA VAL A 13 85.245 8.318 2.603 1.00 0.00 C ATOM 190 C VAL A 13 86.762 8.172 2.516 1.00 0.00 C ATOM 191 O VAL A 13 87.298 7.773 1.482 1.00 0.00 O ATOM 192 CB VAL A 13 84.582 6.939 2.714 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.257 6.113 3.811 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.102 7.117 3.063 1.00 0.00 C ATOM 0 H VAL A 13 85.122 8.669 0.531 1.00 0.00 H new ATOM 0 HA VAL A 13 84.999 8.899 3.492 1.00 0.00 H new ATOM 0 HB VAL A 13 84.684 6.420 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.777 5.137 3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.312 5.982 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.164 6.631 4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.627 6.139 3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.013 7.642 4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.611 7.696 2.281 1.00 0.00 H new ATOM 204 N GLU A 14 87.455 8.499 3.608 1.00 0.00 N ATOM 205 CA GLU A 14 88.918 8.405 3.646 1.00 0.00 C ATOM 206 C GLU A 14 89.379 7.701 4.918 1.00 0.00 C ATOM 207 O GLU A 14 89.059 8.130 6.028 1.00 0.00 O ATOM 208 CB GLU A 14 89.528 9.808 3.583 1.00 0.00 C ATOM 209 CG GLU A 14 91.056 9.707 3.573 1.00 0.00 C ATOM 210 CD GLU A 14 91.666 11.093 3.396 1.00 0.00 C ATOM 211 OE1 GLU A 14 90.937 12.062 3.529 1.00 0.00 O ATOM 212 OE2 GLU A 14 92.854 11.166 3.125 1.00 0.00 O1- ATOM 0 H GLU A 14 87.031 8.830 4.475 1.00 0.00 H new ATOM 0 HA GLU A 14 89.251 7.823 2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 14 89.182 10.325 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 14 89.199 10.397 4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 14 91.406 9.262 4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 14 91.381 9.051 2.765 1.00 0.00 H new ATOM 219 N ALA A 15 90.142 6.622 4.750 1.00 0.00 N ATOM 220 CA ALA A 15 90.656 5.864 5.892 1.00 0.00 C ATOM 221 C ALA A 15 92.045 5.303 5.584 1.00 0.00 C ATOM 222 O ALA A 15 92.346 4.948 4.444 1.00 0.00 O ATOM 223 CB ALA A 15 89.700 4.718 6.230 1.00 0.00 C ATOM 0 H ALA A 15 90.417 6.254 3.840 1.00 0.00 H new ATOM 0 HA ALA A 15 90.732 6.536 6.747 1.00 0.00 H new ATOM 0 HB1 ALA A 15 90.089 4.158 7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 15 88.720 5.124 6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 15 89.609 4.054 5.370 1.00 0.00 H new ATOM 229 N LEU A 16 92.888 5.248 6.613 1.00 0.00 N ATOM 230 CA LEU A 16 94.254 4.752 6.462 1.00 0.00 C ATOM 231 C LEU A 16 94.261 3.252 6.152 1.00 0.00 C ATOM 232 O LEU A 16 93.313 2.536 6.472 1.00 0.00 O ATOM 233 CB LEU A 16 95.038 5.017 7.757 1.00 0.00 C ATOM 234 CG LEU A 16 95.486 6.483 7.821 1.00 0.00 C ATOM 235 CD1 LEU A 16 94.269 7.411 7.772 1.00 0.00 C ATOM 236 CD2 LEU A 16 96.245 6.718 9.129 1.00 0.00 C ATOM 0 H LEU A 16 92.649 5.541 7.560 1.00 0.00 H new ATOM 0 HA LEU A 16 94.724 5.275 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 16 94.416 4.782 8.621 1.00 0.00 H new ATOM 0 HB3 LEU A 16 95.908 4.362 7.803 1.00 0.00 H new ATOM 0 HG LEU A 16 96.131 6.697 6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 16 94.600 8.448 7.818 1.00 0.00 H new ATOM 0 HD12 LEU A 16 93.722 7.246 6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 16 93.617 7.200 8.619 1.00 0.00 H new ATOM 0 HD21 LEU A 16 96.567 7.758 9.181 1.00 0.00 H new ATOM 0 HD22 LEU A 16 95.592 6.497 9.973 1.00 0.00 H new ATOM 0 HD23 LEU A 16 97.118 6.066 9.165 1.00 0.00 H new ATOM 248 N GLU A 17 95.338 2.791 5.518 1.00 0.00 N ATOM 249 CA GLU A 17 95.469 1.375 5.155 1.00 0.00 C ATOM 250 C GLU A 17 95.198 0.462 6.348 1.00 0.00 C ATOM 251 O GLU A 17 95.546 0.778 7.486 1.00 0.00 O ATOM 252 CB GLU A 17 96.878 1.104 4.606 1.00 0.00 C ATOM 253 CG GLU A 17 97.091 -0.397 4.355 1.00 0.00 C ATOM 254 CD GLU A 17 96.055 -0.925 3.370 1.00 0.00 C ATOM 255 OE1 GLU A 17 95.546 -0.134 2.595 1.00 0.00 O1- ATOM 256 OE2 GLU A 17 95.791 -2.115 3.406 1.00 0.00 O ATOM 0 H GLU A 17 96.131 3.372 5.245 1.00 0.00 H new ATOM 0 HA GLU A 17 94.726 1.158 4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 17 97.023 1.656 3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.624 1.468 5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 17 98.094 -0.568 3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 17 97.019 -0.943 5.296 1.00 0.00 H new ATOM 263 N GLY A 18 94.588 -0.685 6.058 1.00 0.00 N ATOM 264 CA GLY A 18 94.273 -1.672 7.081 1.00 0.00 C ATOM 265 C GLY A 18 93.169 -1.176 7.998 1.00 0.00 C ATOM 266 O GLY A 18 93.062 -1.604 9.146 1.00 0.00 O ATOM 0 H GLY A 18 94.302 -0.952 5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.966 -2.605 6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 18 95.166 -1.891 7.667 1.00 0.00 H new ATOM 270 N GLY A 19 92.345 -0.272 7.479 1.00 0.00 N ATOM 271 CA GLY A 19 91.235 0.286 8.247 1.00 0.00 C ATOM 272 C GLY A 19 89.906 -0.216 7.700 1.00 0.00 C ATOM 273 O GLY A 19 89.863 -1.159 6.909 1.00 0.00 O ATOM 0 H GLY A 19 92.424 0.091 6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.333 0.006 9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.265 1.375 8.204 1.00 0.00 H new ATOM 277 N GLU A 20 88.824 0.430 8.122 1.00 0.00 N ATOM 278 CA GLU A 20 87.480 0.067 7.674 1.00 0.00 C ATOM 279 C GLU A 20 86.794 1.290 7.079 1.00 0.00 C ATOM 280 O GLU A 20 87.327 2.399 7.144 1.00 0.00 O ATOM 281 CB GLU A 20 86.656 -0.463 8.857 1.00 0.00 C ATOM 282 CG GLU A 20 86.843 0.446 10.089 1.00 0.00 C ATOM 283 CD GLU A 20 88.025 -0.026 10.938 1.00 0.00 C ATOM 284 OE1 GLU A 20 89.011 -0.457 10.362 1.00 0.00 O ATOM 285 OE2 GLU A 20 87.925 0.049 12.151 1.00 0.00 O1- ATOM 0 H GLU A 20 88.850 1.212 8.777 1.00 0.00 H new ATOM 0 HA GLU A 20 87.555 -0.713 6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 20 85.601 -0.505 8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 20 86.964 -1.481 9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 20 87.009 1.474 9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 20 85.934 0.443 10.690 1.00 0.00 H new ATOM 292 N ALA A 21 85.604 1.095 6.512 1.00 0.00 N ATOM 293 CA ALA A 21 84.860 2.223 5.923 1.00 0.00 C ATOM 294 C ALA A 21 83.370 2.071 6.180 1.00 0.00 C ATOM 295 O ALA A 21 82.838 0.960 6.170 1.00 0.00 O ATOM 296 CB ALA A 21 85.115 2.302 4.417 1.00 0.00 C ATOM 0 H ALA A 21 85.137 0.191 6.445 1.00 0.00 H new ATOM 0 HA ALA A 21 85.209 3.142 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.559 3.140 3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.180 2.446 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 21 84.788 1.376 3.944 1.00 0.00 H new ATOM 302 N LEU A 22 82.700 3.196 6.440 1.00 0.00 N ATOM 303 CA LEU A 22 81.267 3.174 6.732 1.00 0.00 C ATOM 304 C LEU A 22 80.497 4.169 5.871 1.00 0.00 C ATOM 305 O LEU A 22 80.736 5.374 5.940 1.00 0.00 O ATOM 306 CB LEU A 22 81.038 3.536 8.205 1.00 0.00 C ATOM 307 CG LEU A 22 81.960 2.725 9.124 1.00 0.00 C ATOM 308 CD1 LEU A 22 81.916 3.320 10.532 1.00 0.00 C ATOM 309 CD2 LEU A 22 81.481 1.278 9.192 1.00 0.00 C ATOM 0 H LEU A 22 83.122 4.124 6.454 1.00 0.00 H new ATOM 0 HA LEU A 22 80.905 2.169 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 22 81.218 4.601 8.353 1.00 0.00 H new ATOM 0 HB3 LEU A 22 79.998 3.348 8.471 1.00 0.00 H new ATOM 0 HG LEU A 22 82.976 2.758 8.730 1.00 0.00 H new ATOM 0 HD11 LEU A 22 82.570 2.747 11.190 1.00 0.00 H new ATOM 0 HD12 LEU A 22 82.252 4.357 10.500 1.00 0.00 H new ATOM 0 HD13 LEU A 22 80.895 3.281 10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 22 82.140 0.707 9.846 1.00 0.00 H new ATOM 0 HD22 LEU A 22 80.465 1.249 9.586 1.00 0.00 H new ATOM 0 HD23 LEU A 22 81.496 0.843 8.193 1.00 0.00 H new ATOM 321 N PHE A 23 79.556 3.660 5.072 1.00 0.00 N ATOM 322 CA PHE A 23 78.734 4.519 4.213 1.00 0.00 C ATOM 323 C PHE A 23 77.281 4.501 4.692 1.00 0.00 C ATOM 324 O PHE A 23 76.576 3.507 4.499 1.00 0.00 O ATOM 325 CB PHE A 23 78.765 3.991 2.780 1.00 0.00 C ATOM 326 CG PHE A 23 80.112 4.239 2.154 1.00 0.00 C ATOM 327 CD1 PHE A 23 81.131 3.290 2.289 1.00 0.00 C ATOM 328 CD2 PHE A 23 80.335 5.410 1.423 1.00 0.00 C ATOM 329 CE1 PHE A 23 82.374 3.512 1.688 1.00 0.00 C ATOM 330 CE2 PHE A 23 81.579 5.633 0.826 1.00 0.00 C ATOM 331 CZ PHE A 23 82.597 4.685 0.958 1.00 0.00 C ATOM 0 H PHE A 23 79.344 2.665 5.001 1.00 0.00 H new ATOM 0 HA PHE A 23 79.131 5.533 4.255 1.00 0.00 H new ATOM 0 HB2 PHE A 23 78.547 2.923 2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 23 77.988 4.478 2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 23 80.958 2.387 2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 23 79.547 6.141 1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 23 83.161 2.779 1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 23 81.753 6.538 0.263 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.558 4.858 0.496 1.00 0.00 H new ATOM 341 N GLU A 24 76.843 5.579 5.351 1.00 0.00 N ATOM 342 CA GLU A 24 75.473 5.640 5.881 1.00 0.00 C ATOM 343 C GLU A 24 74.557 6.506 5.020 1.00 0.00 C ATOM 344 O GLU A 24 74.785 7.705 4.855 1.00 0.00 O ATOM 345 CB GLU A 24 75.488 6.227 7.295 1.00 0.00 C ATOM 346 CG GLU A 24 76.174 5.262 8.271 1.00 0.00 C ATOM 347 CD GLU A 24 77.688 5.417 8.191 1.00 0.00 C ATOM 348 OE1 GLU A 24 78.147 6.141 7.322 1.00 0.00 O ATOM 349 OE2 GLU A 24 78.365 4.827 9.014 1.00 0.00 O1- ATOM 0 H GLU A 24 77.406 6.411 5.529 1.00 0.00 H new ATOM 0 HA GLU A 24 75.090 4.620 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 24 76.011 7.183 7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 24 74.468 6.422 7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 24 75.835 5.460 9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 24 75.894 4.235 8.035 1.00 0.00 H new ATOM 356 N CYS A 25 73.502 5.880 4.493 1.00 0.00 N ATOM 357 CA CYS A 25 72.513 6.572 3.664 1.00 0.00 C ATOM 358 C CYS A 25 71.124 6.404 4.285 1.00 0.00 C ATOM 359 O CYS A 25 70.809 5.353 4.843 1.00 0.00 O ATOM 360 CB CYS A 25 72.527 5.990 2.245 1.00 0.00 C ATOM 361 SG CYS A 25 73.844 6.779 1.286 1.00 0.00 S ATOM 0 H CYS A 25 73.310 4.887 4.627 1.00 0.00 H new ATOM 0 HA CYS A 25 72.759 7.633 3.613 1.00 0.00 H new ATOM 0 HB2 CYS A 25 72.685 4.912 2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 25 71.563 6.153 1.763 1.00 0.00 H new ATOM 0 HG CYS A 25 73.507 6.811 0.031 1.00 0.00 H new ATOM 367 N GLN A 26 70.298 7.446 4.190 1.00 0.00 N ATOM 368 CA GLN A 26 68.943 7.408 4.752 1.00 0.00 C ATOM 369 C GLN A 26 67.909 7.739 3.686 1.00 0.00 C ATOM 370 O GLN A 26 67.937 8.814 3.088 1.00 0.00 O ATOM 371 CB GLN A 26 68.838 8.416 5.897 1.00 0.00 C ATOM 372 CG GLN A 26 69.660 7.914 7.082 1.00 0.00 C ATOM 373 CD GLN A 26 69.683 8.964 8.187 1.00 0.00 C ATOM 374 OE1 GLN A 26 68.641 9.499 8.561 1.00 0.00 O ATOM 375 NE2 GLN A 26 70.822 9.295 8.732 1.00 0.00 N ATOM 0 H GLN A 26 70.540 8.325 3.732 1.00 0.00 H new ATOM 0 HA GLN A 26 68.748 6.403 5.125 1.00 0.00 H new ATOM 0 HB2 GLN A 26 69.201 9.391 5.574 1.00 0.00 H new ATOM 0 HB3 GLN A 26 67.796 8.545 6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 26 69.235 6.985 7.462 1.00 0.00 H new ATOM 0 HG3 GLN A 26 70.677 7.691 6.760 1.00 0.00 H new ATOM 0 HE21 GLN A 26 71.685 8.850 8.420 1.00 0.00 H new ATOM 0 HE22 GLN A 26 70.849 9.999 9.470 1.00 0.00 H new ATOM 384 N LEU A 27 66.994 6.799 3.454 1.00 0.00 N ATOM 385 CA LEU A 27 65.937 6.976 2.459 1.00 0.00 C ATOM 386 C LEU A 27 64.578 6.673 3.087 1.00 0.00 C ATOM 387 O LEU A 27 64.490 5.919 4.056 1.00 0.00 O ATOM 388 CB LEU A 27 66.186 6.079 1.222 1.00 0.00 C ATOM 389 CG LEU A 27 66.831 4.729 1.606 1.00 0.00 C ATOM 390 CD1 LEU A 27 68.285 4.912 2.110 1.00 0.00 C ATOM 391 CD2 LEU A 27 65.981 4.022 2.672 1.00 0.00 C ATOM 0 H LEU A 27 66.963 5.904 3.943 1.00 0.00 H new ATOM 0 HA LEU A 27 65.944 8.012 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 27 65.241 5.897 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 27 66.833 6.603 0.519 1.00 0.00 H new ATOM 0 HG LEU A 27 66.869 4.110 0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 27 68.705 3.940 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 27 68.887 5.369 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 27 68.287 5.556 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 27 66.445 3.071 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 27 65.913 4.651 3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 27 64.981 3.841 2.279 1.00 0.00 H new ATOM 403 N SER A 28 63.519 7.275 2.541 1.00 0.00 N ATOM 404 CA SER A 28 62.166 7.074 3.069 1.00 0.00 C ATOM 405 C SER A 28 61.402 6.037 2.251 1.00 0.00 C ATOM 406 O SER A 28 60.899 6.336 1.180 1.00 0.00 O ATOM 407 CB SER A 28 61.393 8.393 3.056 1.00 0.00 C ATOM 408 OG SER A 28 60.225 8.260 3.855 1.00 0.00 O ATOM 0 H SER A 28 63.570 7.902 1.738 1.00 0.00 H new ATOM 0 HA SER A 28 62.261 6.712 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 28 62.019 9.199 3.438 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.121 8.658 2.034 1.00 0.00 H new ATOM 0 HG SER A 28 59.728 9.104 3.850 1.00 0.00 H new ATOM 414 N GLN A 29 61.300 4.827 2.784 1.00 0.00 N ATOM 415 CA GLN A 29 60.590 3.737 2.120 1.00 0.00 C ATOM 416 C GLN A 29 60.686 2.455 2.972 1.00 0.00 C ATOM 417 O GLN A 29 61.685 1.741 2.899 1.00 0.00 O ATOM 418 CB GLN A 29 61.206 3.476 0.733 1.00 0.00 C ATOM 419 CG GLN A 29 62.736 3.581 0.804 1.00 0.00 C ATOM 420 CD GLN A 29 63.366 2.968 -0.441 1.00 0.00 C ATOM 421 OE1 GLN A 29 64.330 3.512 -0.978 1.00 0.00 O ATOM 422 NE2 GLN A 29 62.882 1.861 -0.935 1.00 0.00 N ATOM 0 H GLN A 29 61.704 4.572 3.685 1.00 0.00 H new ATOM 0 HA GLN A 29 59.543 4.018 2.003 1.00 0.00 H new ATOM 0 HB2 GLN A 29 60.918 2.486 0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 29 60.818 4.197 0.013 1.00 0.00 H new ATOM 0 HG2 GLN A 29 63.032 4.626 0.893 1.00 0.00 H new ATOM 0 HG3 GLN A 29 63.102 3.070 1.694 1.00 0.00 H new ATOM 0 HE21 GLN A 29 62.083 1.410 -0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 29 63.303 1.447 -1.767 1.00 0.00 H new ATOM 431 N PRO A 30 59.693 2.130 3.774 1.00 0.00 N ATOM 432 CA PRO A 30 59.752 0.899 4.611 1.00 0.00 C ATOM 433 C PRO A 30 59.704 -0.364 3.747 1.00 0.00 C ATOM 434 O PRO A 30 59.931 -1.471 4.233 1.00 0.00 O ATOM 435 CB PRO A 30 58.536 0.991 5.565 1.00 0.00 C ATOM 436 CG PRO A 30 57.810 2.275 5.238 1.00 0.00 C ATOM 437 CD PRO A 30 58.440 2.876 3.968 1.00 0.00 C ATOM 0 HA PRO A 30 60.687 0.833 5.168 1.00 0.00 H new ATOM 0 HB2 PRO A 30 57.878 0.132 5.434 1.00 0.00 H new ATOM 0 HB3 PRO A 30 58.862 0.987 6.605 1.00 0.00 H new ATOM 0 HG2 PRO A 30 56.749 2.082 5.081 1.00 0.00 H new ATOM 0 HG3 PRO A 30 57.887 2.977 6.069 1.00 0.00 H new ATOM 0 HD2 PRO A 30 57.778 2.766 3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 30 58.630 3.942 4.089 1.00 0.00 H new ATOM 445 N GLU A 31 59.415 -0.180 2.459 1.00 0.00 N ATOM 446 CA GLU A 31 59.346 -1.295 1.513 1.00 0.00 C ATOM 447 C GLU A 31 60.592 -1.292 0.634 1.00 0.00 C ATOM 448 O GLU A 31 61.256 -0.266 0.524 1.00 0.00 O ATOM 449 CB GLU A 31 58.083 -1.157 0.655 1.00 0.00 C ATOM 450 CG GLU A 31 57.939 -2.368 -0.272 1.00 0.00 C ATOM 451 CD GLU A 31 56.584 -2.331 -0.969 1.00 0.00 C ATOM 452 OE1 GLU A 31 55.729 -1.587 -0.519 1.00 0.00 O ATOM 453 OE2 GLU A 31 56.422 -3.046 -1.943 1.00 0.00 O1- ATOM 0 H GLU A 31 59.224 0.733 2.045 1.00 0.00 H new ATOM 0 HA GLU A 31 59.301 -2.240 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.206 -1.075 1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.133 -0.242 0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 31 58.739 -2.367 -1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 31 58.037 -3.290 0.302 1.00 0.00 H new ATOM 496 N HIS A 35 67.049 -4.154 -5.337 1.00 0.00 N ATOM 497 CA HIS A 35 67.933 -2.991 -5.353 1.00 0.00 C ATOM 498 C HIS A 35 69.274 -3.383 -5.980 1.00 0.00 C ATOM 499 O HIS A 35 69.610 -4.566 -6.039 1.00 0.00 O ATOM 500 CB HIS A 35 68.134 -2.464 -3.911 1.00 0.00 C ATOM 501 CG HIS A 35 67.824 -3.560 -2.922 1.00 0.00 C ATOM 502 ND1 HIS A 35 66.524 -3.959 -2.656 1.00 0.00 N ATOM 503 CD2 HIS A 35 68.627 -4.356 -2.144 1.00 0.00 C ATOM 504 CE1 HIS A 35 66.580 -4.952 -1.752 1.00 0.00 C ATOM 505 NE2 HIS A 35 67.840 -5.235 -1.405 1.00 0.00 N ATOM 0 HA HIS A 35 67.485 -2.195 -5.949 1.00 0.00 H new ATOM 0 HB2 HIS A 35 69.160 -2.121 -3.779 1.00 0.00 H new ATOM 0 HB3 HIS A 35 67.485 -1.606 -3.733 1.00 0.00 H new ATOM 0 HD2 HIS A 35 69.705 -4.308 -2.110 1.00 0.00 H new ATOM 0 HE1 HIS A 35 65.713 -5.459 -1.354 1.00 0.00 H new ATOM 0 HE2 HIS A 35 68.156 -5.942 -0.742 1.00 0.00 H new ATOM 513 N THR A 36 70.035 -2.392 -6.452 1.00 0.00 N ATOM 514 CA THR A 36 71.336 -2.663 -7.078 1.00 0.00 C ATOM 515 C THR A 36 72.479 -2.071 -6.259 1.00 0.00 C ATOM 516 O THR A 36 72.872 -0.924 -6.463 1.00 0.00 O ATOM 517 CB THR A 36 71.376 -2.067 -8.484 1.00 0.00 C ATOM 518 OG1 THR A 36 70.278 -2.559 -9.238 1.00 0.00 O ATOM 519 CG2 THR A 36 72.689 -2.466 -9.163 1.00 0.00 C ATOM 0 H THR A 36 69.779 -1.405 -6.415 1.00 0.00 H new ATOM 0 HA THR A 36 71.460 -3.745 -7.126 1.00 0.00 H new ATOM 0 HB THR A 36 71.313 -0.980 -8.425 1.00 0.00 H new ATOM 0 HG1 THR A 36 70.302 -2.176 -10.140 1.00 0.00 H new ATOM 0 HG21 THR A 36 72.723 -2.043 -10.167 1.00 0.00 H new ATOM 0 HG22 THR A 36 73.529 -2.087 -8.581 1.00 0.00 H new ATOM 0 HG23 THR A 36 72.751 -3.552 -9.225 1.00 0.00 H new ATOM 527 N TRP A 37 73.021 -2.872 -5.346 1.00 0.00 N ATOM 528 CA TRP A 37 74.137 -2.444 -4.502 1.00 0.00 C ATOM 529 C TRP A 37 75.438 -3.006 -5.080 1.00 0.00 C ATOM 530 O TRP A 37 75.839 -4.112 -4.722 1.00 0.00 O ATOM 531 CB TRP A 37 73.927 -3.004 -3.073 1.00 0.00 C ATOM 532 CG TRP A 37 73.270 -2.003 -2.175 1.00 0.00 C ATOM 533 CD1 TRP A 37 71.936 -1.863 -2.003 1.00 0.00 C ATOM 534 CD2 TRP A 37 73.901 -1.026 -1.296 1.00 0.00 C ATOM 535 NE1 TRP A 37 71.708 -0.860 -1.078 1.00 0.00 N ATOM 536 CE2 TRP A 37 72.888 -0.311 -0.618 1.00 0.00 C ATOM 537 CE3 TRP A 37 75.241 -0.694 -1.030 1.00 0.00 C ATOM 538 CZ2 TRP A 37 73.191 0.699 0.294 1.00 0.00 C ATOM 539 CZ3 TRP A 37 75.551 0.324 -0.111 1.00 0.00 C ATOM 540 CH2 TRP A 37 74.527 1.019 0.549 1.00 0.00 C ATOM 0 H TRP A 37 72.705 -3.826 -5.170 1.00 0.00 H new ATOM 0 HA TRP A 37 74.188 -1.356 -4.468 1.00 0.00 H new ATOM 0 HB2 TRP A 37 73.316 -3.905 -3.122 1.00 0.00 H new ATOM 0 HB3 TRP A 37 74.889 -3.294 -2.651 1.00 0.00 H new ATOM 0 HD1 TRP A 37 71.174 -2.440 -2.505 1.00 0.00 H new ATOM 0 HE1 TRP A 37 70.781 -0.562 -0.773 1.00 0.00 H new ATOM 0 HE3 TRP A 37 76.036 -1.223 -1.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 72.399 1.230 0.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 76.583 0.572 0.088 1.00 0.00 H new ATOM 0 HH2 TRP A 37 74.771 1.801 1.253 1.00 0.00 H new ATOM 551 N LEU A 38 76.091 -2.257 -5.982 1.00 0.00 N ATOM 552 CA LEU A 38 77.336 -2.736 -6.603 1.00 0.00 C ATOM 553 C LEU A 38 78.470 -1.714 -6.511 1.00 0.00 C ATOM 554 O LEU A 38 78.394 -0.624 -7.071 1.00 0.00 O ATOM 555 CB LEU A 38 77.087 -3.052 -8.080 1.00 0.00 C ATOM 556 CG LEU A 38 75.997 -4.121 -8.221 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.693 -4.322 -9.709 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.474 -5.456 -7.618 1.00 0.00 C ATOM 0 H LEU A 38 75.786 -1.335 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 38 77.639 -3.629 -6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.787 -2.146 -8.607 1.00 0.00 H new ATOM 0 HB3 LEU A 38 78.009 -3.400 -8.545 1.00 0.00 H new ATOM 0 HG LEU A 38 75.103 -3.794 -7.690 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.919 -5.081 -9.823 1.00 0.00 H new ATOM 0 HD12 LEU A 38 75.347 -3.382 -10.140 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.597 -4.646 -10.225 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.689 -6.205 -7.726 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.370 -5.792 -8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 38 76.701 -5.317 -6.561 1.00 0.00 H new ATOM 570 N LEU A 39 79.537 -2.113 -5.824 1.00 0.00 N ATOM 571 CA LEU A 39 80.723 -1.283 -5.671 1.00 0.00 C ATOM 572 C LEU A 39 81.678 -1.794 -6.730 1.00 0.00 C ATOM 573 O LEU A 39 81.406 -1.648 -7.921 1.00 0.00 O ATOM 574 CB LEU A 39 81.304 -1.424 -4.235 1.00 0.00 C ATOM 575 CG LEU A 39 80.786 -2.703 -3.553 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.416 -3.933 -4.217 1.00 0.00 C ATOM 577 CD2 LEU A 39 81.147 -2.676 -2.057 1.00 0.00 C ATOM 0 H LEU A 39 79.602 -3.019 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 39 80.521 -0.219 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 39 82.393 -1.447 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 39 81.028 -0.553 -3.640 1.00 0.00 H new ATOM 0 HG LEU A 39 79.702 -2.754 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 39 81.048 -4.837 -3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 39 81.149 -3.953 -5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.500 -3.885 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.779 -3.583 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 39 82.230 -2.620 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.688 -1.806 -1.588 1.00 0.00 H new ATOM 589 N ASP A 40 82.730 -2.488 -6.329 1.00 0.00 N ATOM 590 CA ASP A 40 83.588 -3.093 -7.310 1.00 0.00 C ATOM 591 C ASP A 40 82.690 -4.054 -8.079 1.00 0.00 C ATOM 592 O ASP A 40 81.561 -4.311 -7.659 1.00 0.00 O ATOM 593 CB ASP A 40 84.765 -3.838 -6.658 1.00 0.00 C ATOM 594 CG ASP A 40 85.750 -2.841 -6.059 1.00 0.00 C ATOM 595 OD1 ASP A 40 86.118 -1.909 -6.755 1.00 0.00 O ATOM 596 OD2 ASP A 40 86.126 -3.026 -4.913 1.00 0.00 O1- ATOM 0 H ASP A 40 82.998 -2.639 -5.357 1.00 0.00 H new ATOM 0 HA ASP A 40 84.042 -2.344 -7.959 1.00 0.00 H new ATOM 0 HB2 ASP A 40 84.396 -4.508 -5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 40 85.269 -4.458 -7.400 1.00 0.00 H new ATOM 601 N ASP A 41 83.138 -4.529 -9.204 1.00 0.00 N ATOM 602 CA ASP A 41 82.310 -5.403 -10.023 1.00 0.00 C ATOM 603 C ASP A 41 82.016 -6.736 -9.325 1.00 0.00 C ATOM 604 O ASP A 41 81.887 -7.767 -9.986 1.00 0.00 O ATOM 605 CB ASP A 41 83.022 -5.676 -11.348 1.00 0.00 C ATOM 606 CG ASP A 41 84.363 -6.345 -11.078 1.00 0.00 C ATOM 607 OD1 ASP A 41 84.578 -6.760 -9.951 1.00 0.00 O ATOM 608 OD2 ASP A 41 85.158 -6.431 -11.999 1.00 0.00 O1- ATOM 0 H ASP A 41 84.064 -4.335 -9.584 1.00 0.00 H new ATOM 0 HA ASP A 41 81.359 -4.898 -10.193 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.405 -6.316 -11.979 1.00 0.00 H new ATOM 0 HB3 ASP A 41 83.172 -4.743 -11.891 1.00 0.00 H new ATOM 613 N GLU A 42 81.873 -6.712 -7.987 1.00 0.00 N ATOM 614 CA GLU A 42 81.552 -7.932 -7.227 1.00 0.00 C ATOM 615 C GLU A 42 80.364 -7.649 -6.294 1.00 0.00 C ATOM 616 O GLU A 42 80.313 -6.581 -5.685 1.00 0.00 O ATOM 617 CB GLU A 42 82.761 -8.371 -6.391 1.00 0.00 C ATOM 618 CG GLU A 42 83.821 -8.979 -7.312 1.00 0.00 C ATOM 619 CD GLU A 42 85.122 -9.177 -6.542 1.00 0.00 C ATOM 620 OE1 GLU A 42 85.048 -9.530 -5.377 1.00 0.00 O ATOM 621 OE2 GLU A 42 86.172 -8.970 -7.128 1.00 0.00 O1- ATOM 0 H GLU A 42 81.973 -5.872 -7.417 1.00 0.00 H new ATOM 0 HA GLU A 42 81.296 -8.729 -7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 42 83.176 -7.517 -5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.453 -9.100 -5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 42 83.471 -9.934 -7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 42 83.990 -8.326 -8.168 1.00 0.00 H new ATOM 628 N PRO A 43 79.410 -8.554 -6.149 1.00 0.00 N ATOM 629 CA PRO A 43 78.256 -8.296 -5.247 1.00 0.00 C ATOM 630 C PRO A 43 78.754 -7.984 -3.840 1.00 0.00 C ATOM 631 O PRO A 43 79.686 -8.624 -3.354 1.00 0.00 O ATOM 632 CB PRO A 43 77.403 -9.588 -5.278 1.00 0.00 C ATOM 633 CG PRO A 43 78.068 -10.541 -6.246 1.00 0.00 C ATOM 634 CD PRO A 43 79.338 -9.871 -6.804 1.00 0.00 C ATOM 0 HA PRO A 43 77.666 -7.436 -5.564 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.340 -10.031 -4.284 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.383 -9.368 -5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.323 -11.474 -5.743 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.386 -10.792 -7.058 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.224 -10.467 -6.585 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.283 -9.768 -7.888 1.00 0.00 H new ATOM 642 N VAL A 44 78.172 -6.971 -3.200 1.00 0.00 N ATOM 643 CA VAL A 44 78.631 -6.581 -1.869 1.00 0.00 C ATOM 644 C VAL A 44 77.888 -7.310 -0.757 1.00 0.00 C ATOM 645 O VAL A 44 76.958 -6.795 -0.139 1.00 0.00 O ATOM 646 CB VAL A 44 78.518 -5.062 -1.705 1.00 0.00 C ATOM 647 CG1 VAL A 44 77.077 -4.588 -1.934 1.00 0.00 C ATOM 648 CG2 VAL A 44 78.989 -4.653 -0.305 1.00 0.00 C ATOM 0 H VAL A 44 77.400 -6.417 -3.571 1.00 0.00 H new ATOM 0 HA VAL A 44 79.677 -6.875 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 44 79.154 -4.589 -2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 44 77.026 -3.506 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 44 76.763 -4.854 -2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 44 76.417 -5.067 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 44 78.906 -3.572 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 44 78.368 -5.143 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 44 80.028 -4.953 -0.169 1.00 0.00 H new ATOM 658 N ARG A 45 78.380 -8.506 -0.481 1.00 0.00 N ATOM 659 CA ARG A 45 77.879 -9.347 0.594 1.00 0.00 C ATOM 660 C ARG A 45 79.072 -10.120 1.117 1.00 0.00 C ATOM 661 O ARG A 45 79.711 -9.701 2.059 1.00 0.00 O ATOM 662 CB ARG A 45 76.772 -10.292 0.125 1.00 0.00 C ATOM 663 CG ARG A 45 76.262 -11.070 1.337 1.00 0.00 C ATOM 664 CD ARG A 45 75.020 -11.868 0.959 1.00 0.00 C ATOM 665 NE ARG A 45 75.348 -12.883 -0.033 1.00 0.00 N ATOM 666 CZ ARG A 45 74.401 -13.651 -0.562 1.00 0.00 C ATOM 667 NH1 ARG A 45 73.215 -13.679 -0.023 1.00 0.00 N1+ ATOM 668 NH2 ARG A 45 74.657 -14.373 -1.618 1.00 0.00 N ATOM 0 H ARG A 45 79.149 -8.926 -1.004 1.00 0.00 H new ATOM 0 HA ARG A 45 77.425 -8.735 1.374 1.00 0.00 H new ATOM 0 HB2 ARG A 45 75.960 -9.728 -0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 45 77.153 -10.976 -0.633 1.00 0.00 H new ATOM 0 HG2 ARG A 45 77.039 -11.742 1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 45 76.029 -10.382 2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 45 74.600 -12.341 1.847 1.00 0.00 H new ATOM 0 HD3 ARG A 45 74.256 -11.198 0.564 1.00 0.00 H new ATOM 0 HE ARG A 45 76.317 -13.006 -0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 45 73.016 -13.113 0.802 1.00 0.00 H new ATOM 0 HH12 ARG A 45 72.485 -14.267 -0.426 1.00 0.00 H new ATOM 0 HH21 ARG A 45 75.586 -14.349 -2.039 1.00 0.00 H new ATOM 0 HH22 ARG A 45 73.929 -14.962 -2.022 1.00 0.00 H new ATOM 682 N THR A 46 79.397 -11.219 0.455 1.00 0.00 N ATOM 683 CA THR A 46 80.569 -12.012 0.822 1.00 0.00 C ATOM 684 C THR A 46 80.497 -12.515 2.277 1.00 0.00 C ATOM 685 O THR A 46 79.515 -13.147 2.666 1.00 0.00 O ATOM 686 CB THR A 46 81.839 -11.160 0.578 1.00 0.00 C ATOM 687 OG1 THR A 46 82.148 -10.409 1.743 1.00 0.00 O ATOM 688 CG2 THR A 46 81.602 -10.188 -0.591 1.00 0.00 C ATOM 0 H THR A 46 78.870 -11.585 -0.338 1.00 0.00 H new ATOM 0 HA THR A 46 80.602 -12.905 0.198 1.00 0.00 H new ATOM 0 HB THR A 46 82.667 -11.828 0.339 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.319 -10.078 2.149 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.500 -9.592 -0.757 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.370 -10.754 -1.493 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.768 -9.528 -0.352 1.00 0.00 H new ATOM 696 N SER A 47 81.550 -12.268 3.071 1.00 0.00 N ATOM 697 CA SER A 47 81.591 -12.741 4.468 1.00 0.00 C ATOM 698 C SER A 47 82.056 -11.636 5.422 1.00 0.00 C ATOM 699 O SER A 47 81.718 -10.477 5.252 1.00 0.00 O ATOM 700 CB SER A 47 82.540 -13.937 4.570 1.00 0.00 C ATOM 701 OG SER A 47 82.468 -14.485 5.880 1.00 0.00 O ATOM 0 H SER A 47 82.377 -11.749 2.776 1.00 0.00 H new ATOM 0 HA SER A 47 80.582 -13.034 4.758 1.00 0.00 H new ATOM 0 HB2 SER A 47 82.271 -14.693 3.832 1.00 0.00 H new ATOM 0 HB3 SER A 47 83.561 -13.625 4.350 1.00 0.00 H new ATOM 0 HG SER A 47 83.074 -15.252 5.947 1.00 0.00 H new ATOM 707 N GLU A 48 82.798 -12.000 6.459 1.00 0.00 N ATOM 708 CA GLU A 48 83.247 -11.001 7.430 1.00 0.00 C ATOM 709 C GLU A 48 84.063 -9.893 6.755 1.00 0.00 C ATOM 710 O GLU A 48 83.917 -8.717 7.090 1.00 0.00 O ATOM 711 CB GLU A 48 84.096 -11.667 8.519 1.00 0.00 C ATOM 712 CG GLU A 48 84.453 -10.634 9.596 1.00 0.00 C ATOM 713 CD GLU A 48 85.312 -11.276 10.682 1.00 0.00 C ATOM 714 OE1 GLU A 48 85.767 -12.389 10.473 1.00 0.00 O ATOM 715 OE2 GLU A 48 85.509 -10.641 11.705 1.00 0.00 O1- ATOM 0 H GLU A 48 83.098 -12.956 6.651 1.00 0.00 H new ATOM 0 HA GLU A 48 82.360 -10.553 7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 48 83.548 -12.497 8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 48 85.005 -12.082 8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 48 84.989 -9.799 9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 48 83.542 -10.228 10.036 1.00 0.00 H new ATOM 722 N ASN A 49 84.939 -10.269 5.829 1.00 0.00 N ATOM 723 CA ASN A 49 85.790 -9.285 5.154 1.00 0.00 C ATOM 724 C ASN A 49 84.959 -8.301 4.326 1.00 0.00 C ATOM 725 O ASN A 49 85.509 -7.466 3.610 1.00 0.00 O ATOM 726 CB ASN A 49 86.786 -9.990 4.234 1.00 0.00 C ATOM 727 CG ASN A 49 87.751 -10.839 5.056 1.00 0.00 C ATOM 728 OD1 ASN A 49 87.869 -10.652 6.267 1.00 0.00 O ATOM 729 ND2 ASN A 49 88.453 -11.767 4.466 1.00 0.00 N ATOM 0 H ASN A 49 85.081 -11.234 5.529 1.00 0.00 H new ATOM 0 HA ASN A 49 86.324 -8.731 5.926 1.00 0.00 H new ATOM 0 HB2 ASN A 49 86.252 -10.619 3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 49 87.342 -9.253 3.654 1.00 0.00 H new ATOM 0 HD21 ASN A 49 89.101 -12.339 5.008 1.00 0.00 H new ATOM 0 HD22 ASN A 49 88.354 -11.921 3.463 1.00 0.00 H new ATOM 736 N ALA A 50 83.641 -8.406 4.432 1.00 0.00 N ATOM 737 CA ALA A 50 82.742 -7.524 3.692 1.00 0.00 C ATOM 738 C ALA A 50 81.321 -8.046 3.831 1.00 0.00 C ATOM 739 O ALA A 50 81.089 -9.223 3.618 1.00 0.00 O ATOM 740 CB ALA A 50 83.151 -7.484 2.211 1.00 0.00 C ATOM 0 H ALA A 50 83.169 -9.091 5.022 1.00 0.00 H new ATOM 0 HA ALA A 50 82.800 -6.512 4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.476 -6.824 1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 50 84.172 -7.111 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 50 83.095 -8.488 1.791 1.00 0.00 H new ATOM 746 N GLU A 51 80.378 -7.169 4.173 1.00 0.00 N ATOM 747 CA GLU A 51 78.976 -7.580 4.325 1.00 0.00 C ATOM 748 C GLU A 51 78.118 -6.374 4.670 1.00 0.00 C ATOM 749 O GLU A 51 78.562 -5.483 5.406 1.00 0.00 O ATOM 750 CB GLU A 51 78.846 -8.631 5.439 1.00 0.00 C ATOM 751 CG GLU A 51 77.379 -9.052 5.593 1.00 0.00 C ATOM 752 CD GLU A 51 77.262 -10.170 6.625 1.00 0.00 C ATOM 753 OE1 GLU A 51 77.973 -11.153 6.490 1.00 0.00 O1- ATOM 754 OE2 GLU A 51 76.461 -10.029 7.536 1.00 0.00 O ATOM 0 H GLU A 51 80.552 -6.180 4.349 1.00 0.00 H new ATOM 0 HA GLU A 51 78.637 -8.012 3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.460 -9.500 5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.217 -8.224 6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.777 -8.197 5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 51 76.986 -9.389 4.634 1.00 0.00 H new ATOM 761 N VAL A 52 76.897 -6.307 4.128 1.00 0.00 N ATOM 762 CA VAL A 52 76.016 -5.175 4.388 1.00 0.00 C ATOM 763 C VAL A 52 75.073 -5.480 5.550 1.00 0.00 C ATOM 764 O VAL A 52 74.605 -6.607 5.709 1.00 0.00 O ATOM 765 CB VAL A 52 75.158 -4.866 3.145 1.00 0.00 C ATOM 766 CG1 VAL A 52 74.521 -3.483 3.304 1.00 0.00 C ATOM 767 CG2 VAL A 52 76.006 -4.893 1.862 1.00 0.00 C ATOM 0 H VAL A 52 76.504 -7.019 3.513 1.00 0.00 H new ATOM 0 HA VAL A 52 76.644 -4.319 4.635 1.00 0.00 H new ATOM 0 HB VAL A 52 74.386 -5.631 3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.913 -3.259 2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.892 -3.472 4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.304 -2.731 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.373 -4.671 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.797 -4.146 1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 52 76.450 -5.881 1.740 1.00 0.00 H new ATOM 777 N VAL A 53 74.774 -4.451 6.328 1.00 0.00 N ATOM 778 CA VAL A 53 73.855 -4.570 7.455 1.00 0.00 C ATOM 779 C VAL A 53 72.985 -3.321 7.504 1.00 0.00 C ATOM 780 O VAL A 53 73.468 -2.220 7.249 1.00 0.00 O ATOM 781 CB VAL A 53 74.631 -4.732 8.762 1.00 0.00 C ATOM 782 CG1 VAL A 53 75.391 -6.059 8.737 1.00 0.00 C ATOM 783 CG2 VAL A 53 75.624 -3.577 8.920 1.00 0.00 C ATOM 0 H VAL A 53 75.157 -3.515 6.199 1.00 0.00 H new ATOM 0 HA VAL A 53 73.227 -5.452 7.328 1.00 0.00 H new ATOM 0 HB VAL A 53 73.935 -4.724 9.601 1.00 0.00 H new ATOM 0 HG11 VAL A 53 75.946 -6.178 9.668 1.00 0.00 H new ATOM 0 HG12 VAL A 53 74.684 -6.881 8.628 1.00 0.00 H new ATOM 0 HG13 VAL A 53 76.086 -6.065 7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 53 76.175 -3.696 9.853 1.00 0.00 H new ATOM 0 HG22 VAL A 53 76.322 -3.580 8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 53 75.082 -2.631 8.937 1.00 0.00 H new ATOM 793 N PHE A 54 71.705 -3.481 7.834 1.00 0.00 N ATOM 794 CA PHE A 54 70.806 -2.329 7.903 1.00 0.00 C ATOM 795 C PHE A 54 69.727 -2.537 8.952 1.00 0.00 C ATOM 796 O PHE A 54 69.281 -3.658 9.194 1.00 0.00 O ATOM 797 CB PHE A 54 70.157 -2.073 6.538 1.00 0.00 C ATOM 798 CG PHE A 54 69.223 -3.203 6.168 1.00 0.00 C ATOM 799 CD1 PHE A 54 67.897 -3.202 6.625 1.00 0.00 C ATOM 800 CD2 PHE A 54 69.678 -4.241 5.346 1.00 0.00 C ATOM 801 CE1 PHE A 54 67.031 -4.240 6.261 1.00 0.00 C ATOM 802 CE2 PHE A 54 68.810 -5.276 4.979 1.00 0.00 C ATOM 803 CZ PHE A 54 67.486 -5.276 5.437 1.00 0.00 C ATOM 0 H PHE A 54 71.272 -4.378 8.054 1.00 0.00 H new ATOM 0 HA PHE A 54 71.401 -1.461 8.186 1.00 0.00 H new ATOM 0 HB2 PHE A 54 69.606 -1.133 6.563 1.00 0.00 H new ATOM 0 HB3 PHE A 54 70.930 -1.970 5.776 1.00 0.00 H new ATOM 0 HD1 PHE A 54 67.544 -2.401 7.257 1.00 0.00 H new ATOM 0 HD2 PHE A 54 70.699 -4.243 4.995 1.00 0.00 H new ATOM 0 HE1 PHE A 54 66.011 -4.241 6.616 1.00 0.00 H new ATOM 0 HE2 PHE A 54 69.161 -6.075 4.343 1.00 0.00 H new ATOM 0 HZ PHE A 54 66.817 -6.075 5.154 1.00 0.00 H new ATOM 813 N PHE A 55 69.325 -1.438 9.585 1.00 0.00 N ATOM 814 CA PHE A 55 68.308 -1.474 10.629 1.00 0.00 C ATOM 815 C PHE A 55 67.125 -0.600 10.233 1.00 0.00 C ATOM 816 O PHE A 55 67.144 0.046 9.184 1.00 0.00 O ATOM 817 CB PHE A 55 68.905 -0.962 11.944 1.00 0.00 C ATOM 818 CG PHE A 55 70.233 -1.644 12.191 1.00 0.00 C ATOM 819 CD1 PHE A 55 70.267 -2.988 12.582 1.00 0.00 C ATOM 820 CD2 PHE A 55 71.430 -0.935 12.023 1.00 0.00 C ATOM 821 CE1 PHE A 55 71.495 -3.621 12.803 1.00 0.00 C ATOM 822 CE2 PHE A 55 72.659 -1.569 12.246 1.00 0.00 C ATOM 823 CZ PHE A 55 72.691 -2.913 12.635 1.00 0.00 C ATOM 0 H PHE A 55 69.692 -0.506 9.390 1.00 0.00 H new ATOM 0 HA PHE A 55 67.966 -2.501 10.759 1.00 0.00 H new ATOM 0 HB2 PHE A 55 69.041 0.118 11.898 1.00 0.00 H new ATOM 0 HB3 PHE A 55 68.222 -1.162 12.769 1.00 0.00 H new ATOM 0 HD1 PHE A 55 69.346 -3.536 12.713 1.00 0.00 H new ATOM 0 HD2 PHE A 55 71.405 0.102 11.721 1.00 0.00 H new ATOM 0 HE1 PHE A 55 71.520 -4.658 13.104 1.00 0.00 H new ATOM 0 HE2 PHE A 55 73.581 -1.021 12.118 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.638 -3.404 12.805 1.00 0.00 H new ATOM 833 N GLU A 56 66.100 -0.598 11.077 1.00 0.00 N ATOM 834 CA GLU A 56 64.896 0.189 10.827 1.00 0.00 C ATOM 835 C GLU A 56 64.216 -0.248 9.532 1.00 0.00 C ATOM 836 O GLU A 56 63.583 0.554 8.847 1.00 0.00 O ATOM 837 CB GLU A 56 65.231 1.682 10.772 1.00 0.00 C ATOM 838 CG GLU A 56 65.662 2.159 12.161 1.00 0.00 C ATOM 839 CD GLU A 56 66.105 3.619 12.103 1.00 0.00 C ATOM 840 OE1 GLU A 56 66.039 4.197 11.030 1.00 0.00 O ATOM 841 OE2 GLU A 56 66.505 4.138 13.132 1.00 0.00 O1- ATOM 0 H GLU A 56 66.078 -1.135 11.944 1.00 0.00 H new ATOM 0 HA GLU A 56 64.204 0.016 11.652 1.00 0.00 H new ATOM 0 HB2 GLU A 56 66.028 1.860 10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 56 64.363 2.248 10.434 1.00 0.00 H new ATOM 0 HG2 GLU A 56 64.836 2.050 12.864 1.00 0.00 H new ATOM 0 HG3 GLU A 56 66.478 1.538 12.530 1.00 0.00 H new ATOM 848 N ASN A 57 64.347 -1.534 9.220 1.00 0.00 N ATOM 849 CA ASN A 57 63.735 -2.109 8.022 1.00 0.00 C ATOM 850 C ASN A 57 64.266 -1.477 6.729 1.00 0.00 C ATOM 851 O ASN A 57 63.526 -1.332 5.755 1.00 0.00 O ATOM 852 CB ASN A 57 62.216 -1.945 8.095 1.00 0.00 C ATOM 853 CG ASN A 57 61.710 -2.472 9.433 1.00 0.00 C ATOM 854 OD1 ASN A 57 60.939 -1.798 10.118 1.00 0.00 O ATOM 855 ND2 ASN A 57 62.098 -3.647 9.847 1.00 0.00 N ATOM 0 H ASN A 57 64.874 -2.202 9.782 1.00 0.00 H new ATOM 0 HA ASN A 57 64.000 -3.166 7.995 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.947 -0.895 7.981 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.742 -2.486 7.276 1.00 0.00 H new ATOM 0 HD21 ASN A 57 61.763 -4.009 10.740 1.00 0.00 H new ATOM 0 HD22 ASN A 57 62.736 -4.203 9.278 1.00 0.00 H new ATOM 862 N GLY A 58 65.556 -1.140 6.714 1.00 0.00 N ATOM 863 CA GLY A 58 66.185 -0.566 5.516 1.00 0.00 C ATOM 864 C GLY A 58 66.107 0.959 5.476 1.00 0.00 C ATOM 865 O GLY A 58 66.578 1.580 4.523 1.00 0.00 O ATOM 0 H GLY A 58 66.185 -1.252 7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 58 67.230 -0.872 5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 58 65.702 -0.973 4.628 1.00 0.00 H new ATOM 869 N LEU A 59 65.528 1.565 6.501 1.00 0.00 N ATOM 870 CA LEU A 59 65.422 3.021 6.539 1.00 0.00 C ATOM 871 C LEU A 59 66.810 3.646 6.697 1.00 0.00 C ATOM 872 O LEU A 59 67.007 4.832 6.423 1.00 0.00 O ATOM 873 CB LEU A 59 64.519 3.458 7.701 1.00 0.00 C ATOM 874 CG LEU A 59 63.990 4.889 7.461 1.00 0.00 C ATOM 875 CD1 LEU A 59 62.719 4.852 6.599 1.00 0.00 C ATOM 876 CD2 LEU A 59 63.665 5.548 8.806 1.00 0.00 C ATOM 0 H LEU A 59 65.129 1.084 7.307 1.00 0.00 H new ATOM 0 HA LEU A 59 64.982 3.362 5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 59 63.683 2.766 7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 59 65.076 3.421 8.637 1.00 0.00 H new ATOM 0 HG LEU A 59 64.758 5.462 6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 59 62.358 5.868 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 59 62.945 4.391 5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 59 61.951 4.270 7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 59 63.292 6.558 8.636 1.00 0.00 H new ATOM 0 HD22 LEU A 59 62.905 4.963 9.324 1.00 0.00 H new ATOM 0 HD23 LEU A 59 64.567 5.593 9.417 1.00 0.00 H new ATOM 888 N ARG A 60 67.769 2.824 7.124 1.00 0.00 N ATOM 889 CA ARG A 60 69.154 3.271 7.307 1.00 0.00 C ATOM 890 C ARG A 60 70.116 2.163 6.888 1.00 0.00 C ATOM 891 O ARG A 60 70.403 1.250 7.663 1.00 0.00 O ATOM 892 CB ARG A 60 69.400 3.641 8.776 1.00 0.00 C ATOM 893 CG ARG A 60 70.830 4.169 8.947 1.00 0.00 C ATOM 894 CD ARG A 60 71.090 4.490 10.417 1.00 0.00 C ATOM 895 NE ARG A 60 70.300 5.639 10.831 1.00 0.00 N ATOM 896 CZ ARG A 60 70.319 6.062 12.088 1.00 0.00 C ATOM 897 NH1 ARG A 60 71.147 5.523 12.942 1.00 0.00 N1+ ATOM 898 NH2 ARG A 60 69.506 7.007 12.470 1.00 0.00 N ATOM 0 H ARG A 60 67.613 1.842 7.351 1.00 0.00 H new ATOM 0 HA ARG A 60 69.325 4.150 6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 60 68.683 4.397 9.095 1.00 0.00 H new ATOM 0 HB3 ARG A 60 69.247 2.768 9.411 1.00 0.00 H new ATOM 0 HG2 ARG A 60 71.546 3.426 8.595 1.00 0.00 H new ATOM 0 HG3 ARG A 60 70.973 5.063 8.339 1.00 0.00 H new ATOM 0 HD2 ARG A 60 70.840 3.627 11.034 1.00 0.00 H new ATOM 0 HD3 ARG A 60 72.150 4.695 10.569 1.00 0.00 H new ATOM 0 HE ARG A 60 69.723 6.126 10.145 1.00 0.00 H new ATOM 0 HH11 ARG A 60 71.777 4.779 12.642 1.00 0.00 H new ATOM 0 HH12 ARG A 60 71.164 5.846 13.909 1.00 0.00 H new ATOM 0 HH21 ARG A 60 68.855 7.421 11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 60 69.520 7.332 13.437 1.00 0.00 H new ATOM 912 N HIS A 61 70.586 2.236 5.645 1.00 0.00 N ATOM 913 CA HIS A 61 71.493 1.220 5.107 1.00 0.00 C ATOM 914 C HIS A 61 72.955 1.545 5.400 1.00 0.00 C ATOM 915 O HIS A 61 73.406 2.671 5.195 1.00 0.00 O ATOM 916 CB HIS A 61 71.309 1.103 3.590 1.00 0.00 C ATOM 917 CG HIS A 61 69.971 0.490 3.267 1.00 0.00 C ATOM 918 ND1 HIS A 61 68.905 1.248 2.811 1.00 0.00 N ATOM 919 CD2 HIS A 61 69.522 -0.808 3.297 1.00 0.00 C ATOM 920 CE1 HIS A 61 67.879 0.409 2.580 1.00 0.00 C ATOM 921 NE2 HIS A 61 68.200 -0.857 2.862 1.00 0.00 N ATOM 0 H HIS A 61 70.356 2.985 4.992 1.00 0.00 H new ATOM 0 HA HIS A 61 71.245 0.278 5.595 1.00 0.00 H new ATOM 0 HB2 HIS A 61 71.384 2.089 3.131 1.00 0.00 H new ATOM 0 HB3 HIS A 61 72.107 0.493 3.167 1.00 0.00 H new ATOM 0 HD2 HIS A 61 70.106 -1.661 3.610 1.00 0.00 H new ATOM 0 HE1 HIS A 61 66.913 0.721 2.211 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.605 -1.681 2.777 1.00 0.00 H new ATOM 929 N LEU A 62 73.696 0.536 5.876 1.00 0.00 N ATOM 930 CA LEU A 62 75.120 0.695 6.188 1.00 0.00 C ATOM 931 C LEU A 62 75.941 -0.365 5.452 1.00 0.00 C ATOM 932 O LEU A 62 75.494 -1.497 5.278 1.00 0.00 O ATOM 933 CB LEU A 62 75.371 0.517 7.692 1.00 0.00 C ATOM 934 CG LEU A 62 74.519 1.513 8.521 1.00 0.00 C ATOM 935 CD1 LEU A 62 73.188 0.858 8.914 1.00 0.00 C ATOM 936 CD2 LEU A 62 75.262 1.906 9.807 1.00 0.00 C ATOM 0 H LEU A 62 73.331 -0.400 6.053 1.00 0.00 H new ATOM 0 HA LEU A 62 75.416 1.697 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 62 75.130 -0.505 7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 62 76.428 0.670 7.908 1.00 0.00 H new ATOM 0 HG LEU A 62 74.338 2.399 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 62 72.594 1.562 9.496 1.00 0.00 H new ATOM 0 HD12 LEU A 62 72.640 0.578 8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 62 73.383 -0.033 9.511 1.00 0.00 H new ATOM 0 HD21 LEU A 62 74.653 2.605 10.380 1.00 0.00 H new ATOM 0 HD22 LEU A 62 75.450 1.015 10.405 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.211 2.377 9.550 1.00 0.00 H new ATOM 948 N LEU A 63 77.155 0.006 5.046 1.00 0.00 N ATOM 949 CA LEU A 63 78.067 -0.918 4.353 1.00 0.00 C ATOM 950 C LEU A 63 79.411 -0.942 5.079 1.00 0.00 C ATOM 951 O LEU A 63 80.110 0.077 5.107 1.00 0.00 O ATOM 952 CB LEU A 63 78.253 -0.452 2.893 1.00 0.00 C ATOM 953 CG LEU A 63 79.519 -1.063 2.253 1.00 0.00 C ATOM 954 CD1 LEU A 63 79.498 -2.590 2.372 1.00 0.00 C ATOM 955 CD2 LEU A 63 79.570 -0.673 0.771 1.00 0.00 C ATOM 0 H LEU A 63 77.535 0.942 5.183 1.00 0.00 H new ATOM 0 HA LEU A 63 77.648 -1.924 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 63 77.378 -0.733 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.320 0.636 2.864 1.00 0.00 H new ATOM 0 HG LEU A 63 80.397 -0.682 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 63 80.398 -3.003 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 63 79.462 -2.872 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.619 -2.983 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 63 80.461 -1.101 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.683 -1.053 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 63 79.602 0.413 0.681 1.00 0.00 H new ATOM 967 N LEU A 64 79.775 -2.083 5.696 1.00 0.00 N ATOM 968 CA LEU A 64 81.037 -2.173 6.435 1.00 0.00 C ATOM 969 C LEU A 64 82.113 -2.908 5.628 1.00 0.00 C ATOM 970 O LEU A 64 81.924 -4.057 5.211 1.00 0.00 O ATOM 971 CB LEU A 64 80.800 -2.944 7.753 1.00 0.00 C ATOM 972 CG LEU A 64 80.204 -2.013 8.812 1.00 0.00 C ATOM 973 CD1 LEU A 64 78.902 -1.392 8.291 1.00 0.00 C ATOM 974 CD2 LEU A 64 79.918 -2.810 10.090 1.00 0.00 C ATOM 0 H LEU A 64 79.220 -2.939 5.695 1.00 0.00 H new ATOM 0 HA LEU A 64 81.383 -1.158 6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.127 -3.783 7.576 1.00 0.00 H new ATOM 0 HB3 LEU A 64 81.741 -3.361 8.113 1.00 0.00 H new ATOM 0 HG LEU A 64 80.916 -1.217 9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 64 78.485 -0.731 9.051 1.00 0.00 H new ATOM 0 HD12 LEU A 64 79.108 -0.820 7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 64 78.187 -2.183 8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 64 79.494 -2.148 10.845 1.00 0.00 H new ATOM 0 HD22 LEU A 64 79.211 -3.609 9.870 1.00 0.00 H new ATOM 0 HD23 LEU A 64 80.846 -3.240 10.466 1.00 0.00 H new ATOM 986 N LEU A 65 83.263 -2.246 5.470 1.00 0.00 N ATOM 987 CA LEU A 65 84.414 -2.829 4.779 1.00 0.00 C ATOM 988 C LEU A 65 85.480 -3.103 5.831 1.00 0.00 C ATOM 989 O LEU A 65 85.345 -2.647 6.970 1.00 0.00 O ATOM 990 CB LEU A 65 84.950 -1.884 3.699 1.00 0.00 C ATOM 991 CG LEU A 65 83.856 -1.628 2.643 1.00 0.00 C ATOM 992 CD1 LEU A 65 84.381 -0.660 1.572 1.00 0.00 C ATOM 993 CD2 LEU A 65 83.436 -2.958 1.981 1.00 0.00 C ATOM 0 H LEU A 65 83.421 -1.299 5.815 1.00 0.00 H new ATOM 0 HA LEU A 65 84.123 -3.750 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 65 85.262 -0.942 4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.831 -2.319 3.226 1.00 0.00 H new ATOM 0 HG LEU A 65 82.989 -1.186 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 65 83.603 -0.483 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 65 84.658 0.285 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 65 85.255 -1.094 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 65 82.663 -2.766 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 65 84.301 -3.413 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 65 83.048 -3.636 2.741 1.00 0.00 H new ATOM 1005 N LYS A 66 86.557 -3.799 5.463 1.00 0.00 N ATOM 1006 CA LYS A 66 87.629 -4.085 6.421 1.00 0.00 C ATOM 1007 C LYS A 66 88.962 -4.252 5.697 1.00 0.00 C ATOM 1008 O LYS A 66 89.000 -4.386 4.475 1.00 0.00 O ATOM 1009 CB LYS A 66 87.330 -5.370 7.206 1.00 0.00 C ATOM 1010 CG LYS A 66 86.147 -5.157 8.156 1.00 0.00 C ATOM 1011 CD LYS A 66 85.913 -6.438 8.958 1.00 0.00 C ATOM 1012 CE LYS A 66 84.699 -6.260 9.873 1.00 0.00 C ATOM 1013 NZ LYS A 66 84.932 -5.117 10.800 1.00 0.00 N1+ ATOM 0 H LYS A 66 86.710 -4.170 4.525 1.00 0.00 H new ATOM 0 HA LYS A 66 87.688 -3.244 7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 66 87.106 -6.182 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 66 88.211 -5.669 7.774 1.00 0.00 H new ATOM 0 HG2 LYS A 66 86.350 -4.324 8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 66 85.252 -4.899 7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 66 85.751 -7.277 8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 66 86.796 -6.673 9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 66 83.805 -6.080 9.276 1.00 0.00 H new ATOM 0 HE3 LYS A 66 84.524 -7.173 10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 84.284 -5.190 11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 85.915 -5.140 11.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 84.759 -4.222 10.298 1.00 0.00 H new ATOM 1027 N ASN A 67 90.048 -4.290 6.475 1.00 0.00 N ATOM 1028 CA ASN A 67 91.391 -4.493 5.917 1.00 0.00 C ATOM 1029 C ASN A 67 91.515 -3.798 4.563 1.00 0.00 C ATOM 1030 O ASN A 67 91.879 -4.418 3.566 1.00 0.00 O ATOM 1031 CB ASN A 67 91.641 -5.993 5.757 1.00 0.00 C ATOM 1032 CG ASN A 67 91.614 -6.665 7.126 1.00 0.00 C ATOM 1033 OD1 ASN A 67 92.065 -6.085 8.113 1.00 0.00 O ATOM 1034 ND2 ASN A 67 91.097 -7.858 7.246 1.00 0.00 N ATOM 0 H ASN A 67 90.025 -4.183 7.489 1.00 0.00 H new ATOM 0 HA ASN A 67 92.131 -4.065 6.593 1.00 0.00 H new ATOM 0 HB2 ASN A 67 90.881 -6.432 5.110 1.00 0.00 H new ATOM 0 HB3 ASN A 67 92.605 -6.162 5.277 1.00 0.00 H new ATOM 0 HD21 ASN A 67 91.066 -8.311 8.159 1.00 0.00 H new ATOM 0 HD22 ASN A 67 90.724 -8.337 6.426 1.00 0.00 H new ATOM 1041 N LEU A 68 91.146 -2.526 4.528 1.00 0.00 N ATOM 1042 CA LEU A 68 91.150 -1.776 3.279 1.00 0.00 C ATOM 1043 C LEU A 68 92.526 -1.716 2.626 1.00 0.00 C ATOM 1044 O LEU A 68 93.450 -1.087 3.131 1.00 0.00 O ATOM 1045 CB LEU A 68 90.632 -0.361 3.533 1.00 0.00 C ATOM 1046 CG LEU A 68 89.138 -0.421 3.878 1.00 0.00 C ATOM 1047 CD1 LEU A 68 88.686 0.947 4.391 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.307 -0.816 2.633 1.00 0.00 C ATOM 0 H LEU A 68 90.842 -1.994 5.343 1.00 0.00 H new ATOM 0 HA LEU A 68 90.495 -2.302 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 68 91.187 0.100 4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 68 90.788 0.260 2.651 1.00 0.00 H new ATOM 0 HG LEU A 68 88.981 -1.175 4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 68 87.625 0.911 4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 68 89.257 1.208 5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 68 88.853 1.698 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 68 87.250 -0.853 2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.458 -0.078 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.627 -1.796 2.278 1.00 0.00 H new ATOM 1060 N ARG A 69 92.623 -2.371 1.472 1.00 0.00 N ATOM 1061 CA ARG A 69 93.856 -2.405 0.690 1.00 0.00 C ATOM 1062 C ARG A 69 93.770 -1.334 -0.400 1.00 0.00 C ATOM 1063 O ARG A 69 92.668 -0.970 -0.810 1.00 0.00 O ATOM 1064 CB ARG A 69 94.019 -3.800 0.054 1.00 0.00 C ATOM 1065 CG ARG A 69 92.702 -4.242 -0.624 1.00 0.00 C ATOM 1066 CD ARG A 69 91.867 -5.108 0.330 1.00 0.00 C ATOM 1067 NE ARG A 69 92.577 -6.348 0.636 1.00 0.00 N ATOM 1068 CZ ARG A 69 92.244 -7.501 0.057 1.00 0.00 C ATOM 1069 NH1 ARG A 69 92.278 -7.615 -1.241 1.00 0.00 N ATOM 1070 NH2 ARG A 69 91.882 -8.517 0.790 1.00 0.00 N1+ ATOM 0 H ARG A 69 91.852 -2.892 1.054 1.00 0.00 H new ATOM 0 HA ARG A 69 94.717 -2.208 1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 69 94.824 -3.780 -0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 69 94.303 -4.524 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 69 92.129 -3.365 -0.923 1.00 0.00 H new ATOM 0 HG3 ARG A 69 92.924 -4.802 -1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 69 91.666 -4.559 1.250 1.00 0.00 H new ATOM 0 HD3 ARG A 69 90.902 -5.335 -0.123 1.00 0.00 H new ATOM 0 HE ARG A 69 93.344 -6.331 1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 69 92.560 -6.821 -1.816 1.00 0.00 H new ATOM 0 HH12 ARG A 69 92.023 -8.498 -1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 69 91.854 -8.429 1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 69 91.627 -9.400 0.348 1.00 0.00 H new ATOM 1084 N PRO A 70 94.876 -0.805 -0.874 1.00 0.00 N ATOM 1085 CA PRO A 70 94.823 0.251 -1.922 1.00 0.00 C ATOM 1086 C PRO A 70 94.053 -0.233 -3.153 1.00 0.00 C ATOM 1087 O PRO A 70 93.361 0.546 -3.809 1.00 0.00 O ATOM 1088 CB PRO A 70 96.300 0.569 -2.262 1.00 0.00 C ATOM 1089 CG PRO A 70 97.165 -0.325 -1.403 1.00 0.00 C ATOM 1090 CD PRO A 70 96.251 -1.144 -0.471 1.00 0.00 C ATOM 0 HA PRO A 70 94.296 1.140 -1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.497 0.392 -3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.521 1.618 -2.068 1.00 0.00 H new ATOM 0 HG2 PRO A 70 97.761 -0.990 -2.029 1.00 0.00 H new ATOM 0 HG3 PRO A 70 97.864 0.273 -0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.439 -2.213 -0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.428 -0.891 0.574 1.00 0.00 H new ATOM 1098 N GLN A 71 94.194 -1.517 -3.465 1.00 0.00 N ATOM 1099 CA GLN A 71 93.519 -2.081 -4.628 1.00 0.00 C ATOM 1100 C GLN A 71 92.010 -1.909 -4.516 1.00 0.00 C ATOM 1101 O GLN A 71 91.379 -1.333 -5.401 1.00 0.00 O ATOM 1102 CB GLN A 71 93.834 -3.572 -4.754 1.00 0.00 C ATOM 1103 CG GLN A 71 93.155 -4.127 -6.013 1.00 0.00 C ATOM 1104 CD GLN A 71 93.602 -5.563 -6.260 1.00 0.00 C ATOM 1105 OE1 GLN A 71 94.593 -6.016 -5.686 1.00 0.00 O ATOM 1106 NE2 GLN A 71 92.926 -6.307 -7.091 1.00 0.00 N ATOM 0 H GLN A 71 94.762 -2.179 -2.937 1.00 0.00 H new ATOM 0 HA GLN A 71 93.879 -1.550 -5.509 1.00 0.00 H new ATOM 0 HB2 GLN A 71 94.912 -3.725 -4.810 1.00 0.00 H new ATOM 0 HB3 GLN A 71 93.482 -4.106 -3.871 1.00 0.00 H new ATOM 0 HG2 GLN A 71 92.072 -4.090 -5.898 1.00 0.00 H new ATOM 0 HG3 GLN A 71 93.405 -3.507 -6.874 1.00 0.00 H new ATOM 0 HE21 GLN A 71 92.106 -5.927 -7.564 1.00 0.00 H new ATOM 0 HE22 GLN A 71 93.217 -7.268 -7.268 1.00 0.00 H new ATOM 1115 N ASP A 72 91.428 -2.447 -3.448 1.00 0.00 N ATOM 1116 CA ASP A 72 89.986 -2.389 -3.256 1.00 0.00 C ATOM 1117 C ASP A 72 89.425 -0.988 -3.469 1.00 0.00 C ATOM 1118 O ASP A 72 88.305 -0.853 -3.962 1.00 0.00 O ATOM 1119 CB ASP A 72 89.638 -2.876 -1.850 1.00 0.00 C ATOM 1120 CG ASP A 72 88.127 -2.855 -1.643 1.00 0.00 C ATOM 1121 OD1 ASP A 72 87.434 -3.486 -2.424 1.00 0.00 O ATOM 1122 OD2 ASP A 72 87.686 -2.212 -0.704 1.00 0.00 O1- ATOM 0 H ASP A 72 91.934 -2.927 -2.704 1.00 0.00 H new ATOM 0 HA ASP A 72 89.530 -3.037 -4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 72 90.018 -3.887 -1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 72 90.123 -2.242 -1.108 1.00 0.00 H new ATOM 1127 N SER A 73 90.168 0.060 -3.107 1.00 0.00 N ATOM 1128 CA SER A 73 89.658 1.416 -3.292 1.00 0.00 C ATOM 1129 C SER A 73 89.024 1.559 -4.672 1.00 0.00 C ATOM 1130 O SER A 73 89.632 1.204 -5.681 1.00 0.00 O ATOM 1131 CB SER A 73 90.798 2.428 -3.139 1.00 0.00 C ATOM 1132 OG SER A 73 91.454 2.589 -4.388 1.00 0.00 O ATOM 0 H SER A 73 91.099 -0.001 -2.695 1.00 0.00 H new ATOM 0 HA SER A 73 88.900 1.611 -2.533 1.00 0.00 H new ATOM 0 HB2 SER A 73 90.406 3.385 -2.795 1.00 0.00 H new ATOM 0 HB3 SER A 73 91.506 2.084 -2.385 1.00 0.00 H new ATOM 0 HG SER A 73 92.213 1.971 -4.441 1.00 0.00 H new ATOM 1138 N CYS A 74 87.795 2.065 -4.710 1.00 0.00 N ATOM 1139 CA CYS A 74 87.098 2.224 -5.981 1.00 0.00 C ATOM 1140 C CYS A 74 85.818 3.044 -5.820 1.00 0.00 C ATOM 1141 O CYS A 74 85.811 4.081 -5.158 1.00 0.00 O ATOM 1142 CB CYS A 74 86.758 0.847 -6.558 1.00 0.00 C ATOM 1143 SG CYS A 74 86.426 1.001 -8.330 1.00 0.00 S ATOM 0 H CYS A 74 87.269 2.367 -3.890 1.00 0.00 H new ATOM 0 HA CYS A 74 87.758 2.760 -6.663 1.00 0.00 H new ATOM 0 HB2 CYS A 74 87.585 0.157 -6.391 1.00 0.00 H new ATOM 0 HB3 CYS A 74 85.888 0.432 -6.049 1.00 0.00 H new ATOM 0 HG CYS A 74 86.349 -0.183 -8.861 1.00 0.00 H new ATOM 1149 N ARG A 75 84.742 2.591 -6.465 1.00 0.00 N ATOM 1150 CA ARG A 75 83.462 3.303 -6.419 1.00 0.00 C ATOM 1151 C ARG A 75 82.405 2.539 -5.630 1.00 0.00 C ATOM 1152 O ARG A 75 82.282 1.321 -5.752 1.00 0.00 O ATOM 1153 CB ARG A 75 82.935 3.486 -7.836 1.00 0.00 C ATOM 1154 CG ARG A 75 83.907 4.328 -8.652 1.00 0.00 C ATOM 1155 CD ARG A 75 83.331 4.499 -10.051 1.00 0.00 C ATOM 1156 NE ARG A 75 84.261 5.231 -10.906 1.00 0.00 N ATOM 1157 CZ ARG A 75 84.303 6.561 -10.916 1.00 0.00 C ATOM 1158 NH1 ARG A 75 83.344 7.257 -10.363 1.00 0.00 N1+ ATOM 1159 NH2 ARG A 75 85.311 7.172 -11.476 1.00 0.00 N ATOM 0 H ARG A 75 84.730 1.738 -7.024 1.00 0.00 H new ATOM 0 HA ARG A 75 83.645 4.259 -5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 75 82.798 2.514 -8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 75 81.958 3.968 -7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 75 84.056 5.300 -8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 75 84.882 3.844 -8.699 1.00 0.00 H new ATOM 0 HD2 ARG A 75 83.122 3.521 -10.486 1.00 0.00 H new ATOM 0 HD3 ARG A 75 82.382 5.033 -9.996 1.00 0.00 H new ATOM 0 HE ARG A 75 84.895 4.709 -11.511 1.00 0.00 H new ATOM 0 HH11 ARG A 75 82.558 6.781 -9.921 1.00 0.00 H new ATOM 0 HH12 ARG A 75 83.382 8.276 -10.374 1.00 0.00 H new ATOM 0 HH21 ARG A 75 86.062 6.630 -11.904 1.00 0.00 H new ATOM 0 HH22 ARG A 75 85.348 8.191 -11.486 1.00 0.00 H new ATOM 1173 N VAL A 76 81.608 3.278 -4.860 1.00 0.00 N ATOM 1174 CA VAL A 76 80.510 2.690 -4.093 1.00 0.00 C ATOM 1175 C VAL A 76 79.198 3.210 -4.679 1.00 0.00 C ATOM 1176 O VAL A 76 78.914 4.404 -4.600 1.00 0.00 O ATOM 1177 CB VAL A 76 80.625 3.081 -2.617 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.541 2.366 -1.806 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.002 2.667 -2.091 1.00 0.00 C ATOM 0 H VAL A 76 81.702 4.288 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 76 80.546 1.602 -4.154 1.00 0.00 H new ATOM 0 HB VAL A 76 80.499 4.159 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.627 2.647 -0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.558 2.653 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.665 1.288 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.088 2.944 -1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 76 82.121 1.588 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 76 82.778 3.174 -2.664 1.00 0.00 H new ATOM 1189 N THR A 77 78.421 2.320 -5.302 1.00 0.00 N ATOM 1190 CA THR A 77 77.160 2.723 -5.944 1.00 0.00 C ATOM 1191 C THR A 77 75.954 1.967 -5.394 1.00 0.00 C ATOM 1192 O THR A 77 75.943 0.738 -5.331 1.00 0.00 O ATOM 1193 CB THR A 77 77.260 2.477 -7.454 1.00 0.00 C ATOM 1194 OG1 THR A 77 78.310 3.265 -7.994 1.00 0.00 O ATOM 1195 CG2 THR A 77 75.938 2.843 -8.142 1.00 0.00 C ATOM 0 H THR A 77 78.636 1.326 -5.377 1.00 0.00 H new ATOM 0 HA THR A 77 77.010 3.781 -5.730 1.00 0.00 H new ATOM 0 HB THR A 77 77.467 1.421 -7.627 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.375 3.107 -8.959 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.024 2.663 -9.214 1.00 0.00 H new ATOM 0 HG22 THR A 77 75.134 2.230 -7.734 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.716 3.896 -7.967 1.00 0.00 H new ATOM 1203 N PHE A 78 74.927 2.732 -5.026 1.00 0.00 N ATOM 1204 CA PHE A 78 73.676 2.180 -4.503 1.00 0.00 C ATOM 1205 C PHE A 78 72.506 2.812 -5.258 1.00 0.00 C ATOM 1206 O PHE A 78 72.345 4.032 -5.243 1.00 0.00 O ATOM 1207 CB PHE A 78 73.575 2.481 -2.999 1.00 0.00 C ATOM 1208 CG PHE A 78 72.155 2.284 -2.498 1.00 0.00 C ATOM 1209 CD1 PHE A 78 71.444 1.120 -2.815 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.552 3.275 -1.710 1.00 0.00 C ATOM 1211 CE1 PHE A 78 70.138 0.948 -2.346 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.246 3.100 -1.241 1.00 0.00 C ATOM 1213 CZ PHE A 78 69.538 1.937 -1.558 1.00 0.00 C ATOM 0 H PHE A 78 74.938 3.750 -5.082 1.00 0.00 H new ATOM 0 HA PHE A 78 73.650 1.099 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.253 1.829 -2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 78 73.893 3.506 -2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 78 71.905 0.355 -3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 78 72.097 4.175 -1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.591 0.050 -2.592 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.784 3.864 -0.633 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.530 1.802 -1.195 1.00 0.00 H new ATOM 1223 N LEU A 79 71.700 1.986 -5.935 1.00 0.00 N ATOM 1224 CA LEU A 79 70.561 2.499 -6.711 1.00 0.00 C ATOM 1225 C LEU A 79 69.257 1.794 -6.341 1.00 0.00 C ATOM 1226 O LEU A 79 68.988 0.675 -6.780 1.00 0.00 O ATOM 1227 CB LEU A 79 70.855 2.326 -8.212 1.00 0.00 C ATOM 1228 CG LEU A 79 69.585 2.538 -9.054 1.00 0.00 C ATOM 1229 CD1 LEU A 79 68.910 3.860 -8.664 1.00 0.00 C ATOM 1230 CD2 LEU A 79 69.971 2.579 -10.537 1.00 0.00 C ATOM 0 H LEU A 79 71.811 0.972 -5.963 1.00 0.00 H new ATOM 0 HA LEU A 79 70.433 3.556 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 79 71.622 3.037 -8.520 1.00 0.00 H new ATOM 0 HB3 LEU A 79 71.254 1.328 -8.395 1.00 0.00 H new ATOM 0 HG LEU A 79 68.889 1.719 -8.873 1.00 0.00 H new ATOM 0 HD11 LEU A 79 68.012 4.001 -9.265 1.00 0.00 H new ATOM 0 HD12 LEU A 79 68.639 3.833 -7.608 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.599 4.686 -8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 79 69.077 2.729 -11.142 1.00 0.00 H new ATOM 0 HD22 LEU A 79 70.667 3.400 -10.709 1.00 0.00 H new ATOM 0 HD23 LEU A 79 70.444 1.637 -10.816 1.00 0.00 H new ATOM 1242 N ALA A 80 68.440 2.490 -5.552 1.00 0.00 N ATOM 1243 CA ALA A 80 67.133 1.983 -5.128 1.00 0.00 C ATOM 1244 C ALA A 80 66.045 2.946 -5.597 1.00 0.00 C ATOM 1245 O ALA A 80 66.065 4.127 -5.248 1.00 0.00 O ATOM 1246 CB ALA A 80 67.095 1.868 -3.601 1.00 0.00 C ATOM 0 H ALA A 80 68.663 3.417 -5.189 1.00 0.00 H new ATOM 0 HA ALA A 80 66.964 0.999 -5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.121 1.491 -3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 80 67.874 1.182 -3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.263 2.850 -3.158 1.00 0.00 H new ATOM 1252 N GLY A 81 65.105 2.450 -6.391 1.00 0.00 N ATOM 1253 CA GLY A 81 64.037 3.307 -6.890 1.00 0.00 C ATOM 1254 C GLY A 81 64.625 4.456 -7.704 1.00 0.00 C ATOM 1255 O GLY A 81 65.829 4.483 -7.963 1.00 0.00 O ATOM 0 H GLY A 81 65.059 1.479 -6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 81 63.352 2.726 -7.508 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.457 3.701 -6.056 1.00 0.00 H new ATOM 1259 N ASP A 82 63.776 5.389 -8.128 1.00 0.00 N ATOM 1260 CA ASP A 82 64.224 6.524 -8.939 1.00 0.00 C ATOM 1261 C ASP A 82 65.228 7.419 -8.201 1.00 0.00 C ATOM 1262 O ASP A 82 65.284 8.622 -8.462 1.00 0.00 O ATOM 1263 CB ASP A 82 63.013 7.371 -9.334 1.00 0.00 C ATOM 1264 CG ASP A 82 62.147 6.618 -10.338 1.00 0.00 C ATOM 1265 OD1 ASP A 82 62.672 5.741 -11.004 1.00 0.00 O ATOM 1266 OD2 ASP A 82 60.970 6.926 -10.424 1.00 0.00 O1- ATOM 0 H ASP A 82 62.776 5.384 -7.926 1.00 0.00 H new ATOM 0 HA ASP A 82 64.725 6.114 -9.816 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.427 7.615 -8.448 1.00 0.00 H new ATOM 0 HB3 ASP A 82 63.346 8.315 -9.766 1.00 0.00 H new ATOM 1271 N MET A 83 66.025 6.846 -7.296 1.00 0.00 N ATOM 1272 CA MET A 83 67.024 7.627 -6.553 1.00 0.00 C ATOM 1273 C MET A 83 68.399 6.972 -6.680 1.00 0.00 C ATOM 1274 O MET A 83 68.548 5.777 -6.418 1.00 0.00 O ATOM 1275 CB MET A 83 66.613 7.720 -5.081 1.00 0.00 C ATOM 1276 CG MET A 83 65.105 7.985 -5.001 1.00 0.00 C ATOM 1277 SD MET A 83 64.648 8.488 -3.322 1.00 0.00 S ATOM 1278 CE MET A 83 65.054 6.947 -2.464 1.00 0.00 C ATOM 0 H MET A 83 66.001 5.854 -7.060 1.00 0.00 H new ATOM 0 HA MET A 83 67.078 8.633 -6.970 1.00 0.00 H new ATOM 0 HB2 MET A 83 66.861 6.794 -4.561 1.00 0.00 H new ATOM 0 HB3 MET A 83 67.163 8.520 -4.586 1.00 0.00 H new ATOM 0 HG2 MET A 83 64.827 8.764 -5.711 1.00 0.00 H new ATOM 0 HG3 MET A 83 64.555 7.087 -5.282 1.00 0.00 H new ATOM 0 HE1 MET A 83 64.413 6.838 -1.589 1.00 0.00 H new ATOM 0 HE2 MET A 83 64.897 6.104 -3.137 1.00 0.00 H new ATOM 0 HE3 MET A 83 66.097 6.970 -2.149 1.00 0.00 H new ATOM 1288 N VAL A 84 69.405 7.753 -7.100 1.00 0.00 N ATOM 1289 CA VAL A 84 70.768 7.226 -7.278 1.00 0.00 C ATOM 1290 C VAL A 84 71.790 8.020 -6.459 1.00 0.00 C ATOM 1291 O VAL A 84 71.830 9.248 -6.502 1.00 0.00 O ATOM 1292 CB VAL A 84 71.154 7.271 -8.771 1.00 0.00 C ATOM 1293 CG1 VAL A 84 70.837 8.648 -9.364 1.00 0.00 C ATOM 1294 CG2 VAL A 84 72.652 6.974 -8.936 1.00 0.00 C ATOM 0 H VAL A 84 69.303 8.743 -7.321 1.00 0.00 H new ATOM 0 HA VAL A 84 70.778 6.196 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 84 70.574 6.515 -9.300 1.00 0.00 H new ATOM 0 HG11 VAL A 84 71.115 8.663 -10.418 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.770 8.849 -9.267 1.00 0.00 H new ATOM 0 HG13 VAL A 84 71.400 9.413 -8.829 1.00 0.00 H new ATOM 0 HG21 VAL A 84 72.915 7.008 -9.993 1.00 0.00 H new ATOM 0 HG22 VAL A 84 73.233 7.720 -8.393 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.872 5.983 -8.539 1.00 0.00 H new ATOM 1304 N THR A 85 72.614 7.289 -5.707 1.00 0.00 N ATOM 1305 CA THR A 85 73.652 7.890 -4.866 1.00 0.00 C ATOM 1306 C THR A 85 74.995 7.228 -5.192 1.00 0.00 C ATOM 1307 O THR A 85 75.049 6.016 -5.400 1.00 0.00 O ATOM 1308 CB THR A 85 73.303 7.664 -3.382 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.862 6.433 -2.952 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.778 7.613 -3.208 1.00 0.00 C ATOM 0 H THR A 85 72.582 6.270 -5.663 1.00 0.00 H new ATOM 0 HA THR A 85 73.716 8.961 -5.057 1.00 0.00 H new ATOM 0 HB THR A 85 73.708 8.484 -2.788 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.399 6.128 -2.144 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.537 7.453 -2.157 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.342 8.555 -3.541 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.371 6.795 -3.802 1.00 0.00 H new ATOM 1318 N SER A 86 76.076 8.012 -5.255 1.00 0.00 N ATOM 1319 CA SER A 86 77.394 7.444 -5.576 1.00 0.00 C ATOM 1320 C SER A 86 78.527 8.316 -5.031 1.00 0.00 C ATOM 1321 O SER A 86 78.458 9.543 -5.092 1.00 0.00 O ATOM 1322 CB SER A 86 77.531 7.309 -7.096 1.00 0.00 C ATOM 1323 OG SER A 86 76.773 6.190 -7.533 1.00 0.00 O ATOM 0 H SER A 86 76.070 9.019 -5.093 1.00 0.00 H new ATOM 0 HA SER A 86 77.469 6.464 -5.105 1.00 0.00 H new ATOM 0 HB2 SER A 86 77.180 8.216 -7.587 1.00 0.00 H new ATOM 0 HB3 SER A 86 78.579 7.184 -7.370 1.00 0.00 H new ATOM 0 HG SER A 86 76.129 5.940 -6.838 1.00 0.00 H new ATOM 1329 N ALA A 87 79.567 7.674 -4.477 1.00 0.00 N ATOM 1330 CA ALA A 87 80.697 8.413 -3.901 1.00 0.00 C ATOM 1331 C ALA A 87 82.015 7.659 -4.071 1.00 0.00 C ATOM 1332 O ALA A 87 82.036 6.441 -4.245 1.00 0.00 O ATOM 1333 CB ALA A 87 80.458 8.659 -2.411 1.00 0.00 C ATOM 0 H ALA A 87 79.648 6.659 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 87 80.769 9.361 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 87 81.302 9.208 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.546 9.241 -2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.356 7.704 -1.896 1.00 0.00 H new ATOM 1339 N PHE A 88 83.110 8.414 -4.034 1.00 0.00 N ATOM 1340 CA PHE A 88 84.449 7.854 -4.199 1.00 0.00 C ATOM 1341 C PHE A 88 84.959 7.186 -2.918 1.00 0.00 C ATOM 1342 O PHE A 88 84.507 7.489 -1.811 1.00 0.00 O ATOM 1343 CB PHE A 88 85.415 8.973 -4.589 1.00 0.00 C ATOM 1344 CG PHE A 88 85.045 9.508 -5.949 1.00 0.00 C ATOM 1345 CD1 PHE A 88 84.128 10.559 -6.060 1.00 0.00 C ATOM 1346 CD2 PHE A 88 85.618 8.954 -7.099 1.00 0.00 C ATOM 1347 CE1 PHE A 88 83.783 11.058 -7.321 1.00 0.00 C ATOM 1348 CE2 PHE A 88 85.273 9.452 -8.360 1.00 0.00 C ATOM 1349 CZ PHE A 88 84.357 10.504 -8.471 1.00 0.00 C ATOM 0 H PHE A 88 83.095 9.424 -3.890 1.00 0.00 H new ATOM 0 HA PHE A 88 84.395 7.092 -4.977 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.378 9.773 -3.850 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.438 8.597 -4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 88 83.686 10.985 -5.172 1.00 0.00 H new ATOM 0 HD2 PHE A 88 86.326 8.143 -7.013 1.00 0.00 H new ATOM 0 HE1 PHE A 88 83.075 11.869 -7.407 1.00 0.00 H new ATOM 0 HE2 PHE A 88 85.714 9.024 -9.248 1.00 0.00 H new ATOM 0 HZ PHE A 88 84.093 10.889 -9.445 1.00 0.00 H new ATOM 1359 N LEU A 89 85.948 6.304 -3.093 1.00 0.00 N ATOM 1360 CA LEU A 89 86.591 5.600 -1.976 1.00 0.00 C ATOM 1361 C LEU A 89 88.095 5.833 -2.067 1.00 0.00 C ATOM 1362 O LEU A 89 88.662 5.792 -3.158 1.00 0.00 O ATOM 1363 CB LEU A 89 86.286 4.091 -2.041 1.00 0.00 C ATOM 1364 CG LEU A 89 87.065 3.310 -0.959 1.00 0.00 C ATOM 1365 CD1 LEU A 89 86.677 3.785 0.446 1.00 0.00 C ATOM 1366 CD2 LEU A 89 86.740 1.811 -1.086 1.00 0.00 C ATOM 0 H LEU A 89 86.325 6.058 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 89 86.206 5.981 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.216 3.929 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.548 3.708 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 89 88.131 3.485 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.239 3.220 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 89 86.906 4.846 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.610 3.628 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 89 87.287 1.254 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.670 1.658 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 89 87.033 1.458 -2.075 1.00 0.00 H new ATOM 1378 N THR A 90 88.747 6.079 -0.932 1.00 0.00 N ATOM 1379 CA THR A 90 90.195 6.314 -0.933 1.00 0.00 C ATOM 1380 C THR A 90 90.873 5.602 0.230 1.00 0.00 C ATOM 1381 O THR A 90 90.483 5.769 1.386 1.00 0.00 O ATOM 1382 CB THR A 90 90.478 7.815 -0.844 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.814 8.482 -1.909 1.00 0.00 O ATOM 1384 CG2 THR A 90 91.984 8.061 -0.949 1.00 0.00 C ATOM 0 H THR A 90 88.307 6.121 -0.013 1.00 0.00 H new ATOM 0 HA THR A 90 90.599 5.914 -1.863 1.00 0.00 H new ATOM 0 HB THR A 90 90.116 8.197 0.110 1.00 0.00 H new ATOM 0 HG1 THR A 90 89.992 9.444 -1.854 1.00 0.00 H new ATOM 0 HG21 THR A 90 92.183 9.131 -0.885 1.00 0.00 H new ATOM 0 HG22 THR A 90 92.494 7.548 -0.134 1.00 0.00 H new ATOM 0 HG23 THR A 90 92.349 7.680 -1.903 1.00 0.00 H new ATOM 1392 N VAL A 91 91.892 4.801 -0.082 1.00 0.00 N ATOM 1393 CA VAL A 91 92.626 4.057 0.946 1.00 0.00 C ATOM 1394 C VAL A 91 94.126 4.317 0.819 1.00 0.00 C ATOM 1395 O VAL A 91 94.761 3.895 -0.147 1.00 0.00 O ATOM 1396 CB VAL A 91 92.356 2.560 0.766 1.00 0.00 C ATOM 1397 CG1 VAL A 91 93.015 1.764 1.894 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.848 2.310 0.785 1.00 0.00 C ATOM 0 H VAL A 91 92.228 4.650 -1.033 1.00 0.00 H new ATOM 0 HA VAL A 91 92.293 4.384 1.931 1.00 0.00 H new ATOM 0 HB VAL A 91 92.773 2.237 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.815 0.702 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 91 94.091 1.936 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.608 2.086 2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.654 1.245 0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.436 2.642 1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.377 2.865 -0.027 1.00 0.00 H new ATOM 1408 N ARG A 92 94.682 5.038 1.798 1.00 0.00 N ATOM 1409 CA ARG A 92 96.108 5.381 1.791 1.00 0.00 C ATOM 1410 C ARG A 92 96.894 4.556 2.804 1.00 0.00 C ATOM 1411 O ARG A 92 96.424 4.292 3.910 1.00 0.00 O ATOM 1412 CB ARG A 92 96.278 6.859 2.129 1.00 0.00 C ATOM 1413 CG ARG A 92 95.729 7.710 0.988 1.00 0.00 C ATOM 1414 CD ARG A 92 95.891 9.184 1.344 1.00 0.00 C ATOM 1415 NE ARG A 92 95.394 10.023 0.258 1.00 0.00 N ATOM 1416 CZ ARG A 92 95.828 11.272 0.093 1.00 0.00 C ATOM 1417 NH1 ARG A 92 97.108 11.519 0.083 1.00 0.00 N ATOM 1418 NH2 ARG A 92 94.975 12.248 -0.061 1.00 0.00 N1+ ATOM 0 H ARG A 92 94.168 5.395 2.604 1.00 0.00 H new ATOM 0 HA ARG A 92 96.494 5.164 0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 92 95.754 7.093 3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 92 97.331 7.087 2.292 1.00 0.00 H new ATOM 0 HG2 ARG A 92 96.259 7.486 0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 92 94.678 7.477 0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 92 95.347 9.406 2.262 1.00 0.00 H new ATOM 0 HD3 ARG A 92 96.941 9.406 1.534 1.00 0.00 H new ATOM 0 HE ARG A 92 94.700 9.646 -0.388 1.00 0.00 H new ATOM 0 HH11 ARG A 92 97.775 10.757 0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 92 97.442 12.474 -0.043 1.00 0.00 H new ATOM 0 HH21 ARG A 92 93.973 12.056 -0.055 1.00 0.00 H new ATOM 0 HH22 ARG A 92 95.310 13.203 -0.187 1.00 0.00 H new