USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1011 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 85 MET CE :methyl 152:sc= -0.0461 (180deg=-0.652) USER MOD Set 2.1: A 47 GLN : amide:sc= -0.224 K(o=-0.23,f=-0.93) USER MOD Set 2.2: A 78 MET CE :methyl -176:sc=-0.00214 (180deg=-0.0216) USER MOD Set 3.1: A 31 ASN : amide:sc= 0.928 K(o=1.8,f=-0.038) USER MOD Set 3.2: A 32 ASN : amide:sc= 0.839 K(o=1.8,f=-1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 1.37 (180deg=-0.473) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00141) USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.21) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 143:sc= 1.81 USER MOD Single : A 17 MET CE :methyl 180:sc=-0.00264 (180deg=-0.00264) USER MOD Single : A 23 ASN : amide:sc= -0.027 K(o=-0.027,f=-0.94!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.242 X(o=0.24,f=-0.039) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= 1.16 (180deg=0.368) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0232 K(o=-0.023,f=-6.9!) USER MOD Single : A 60 MET CE :methyl -150:sc= -0.0471 (180deg=-0.516) USER MOD Single : A 62 ASN : amide:sc= -0.0664 K(o=-0.066,f=-1.2) USER MOD Single : A 63 MET CE :methyl 171:sc= -0.427 (180deg=-0.592) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 79 SER OG : rot 108:sc= 0.569 USER MOD Single : A 87 THR OG1 : rot 99:sc= 1.08 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -1.12 K(o=-1.1,f=-1.9) USER MOD Single : A 100 GLN : amide:sc= -0.281 K(o=-0.28,f=-1.1) USER MOD Single : A 104 SER OG : rot -35:sc= 1.18 USER MOD Single : A 106 TYR OH : rot 159:sc= 0.52 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 163:sc= -0.0378 (180deg=-0.733) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 122 LYS NZ :NH3+ 165:sc= 0.396 (180deg=0.0476) USER MOD Single : A 126 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000255) USER MOD Single : A 129 MET CE :methyl -118:sc= -0.0826 (180deg=-0.291) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.833 -17.464 3.503 1.00 0.00 N ATOM 2 CA MET A 1 21.643 -17.416 4.363 1.00 0.00 C ATOM 3 C MET A 1 20.427 -16.960 3.561 1.00 0.00 C ATOM 4 O MET A 1 19.499 -17.760 3.412 1.00 0.00 O ATOM 5 CB MET A 1 21.866 -16.637 5.671 1.00 0.00 C ATOM 6 CG MET A 1 22.483 -15.236 5.546 1.00 0.00 C ATOM 7 SD MET A 1 24.246 -15.179 5.126 1.00 0.00 S ATOM 8 CE MET A 1 24.413 -13.391 4.869 1.00 0.00 C ATOM 0 H1 MET A 1 23.229 -18.425 3.512 1.00 0.00 H new ATOM 0 H2 MET A 1 22.569 -17.207 2.530 1.00 0.00 H new ATOM 0 H3 MET A 1 23.544 -16.793 3.857 1.00 0.00 H new ATOM 0 HA MET A 1 21.435 -18.430 4.705 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.906 -16.541 6.177 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.509 -17.235 6.317 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.931 -14.684 4.786 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.337 -14.711 6.490 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.443 -13.157 4.599 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.747 -13.075 4.066 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.150 -12.865 5.787 1.00 0.00 H new ATOM 20 N ALA A 2 20.460 -15.741 3.009 1.00 0.00 N ATOM 21 CA ALA A 2 19.401 -15.045 2.288 1.00 0.00 C ATOM 22 C ALA A 2 18.136 -14.790 3.110 1.00 0.00 C ATOM 23 O ALA A 2 17.908 -15.372 4.171 1.00 0.00 O ATOM 24 CB ALA A 2 19.109 -15.725 0.945 1.00 0.00 C ATOM 0 H ALA A 2 21.305 -15.172 3.063 1.00 0.00 H new ATOM 0 HA ALA A 2 19.786 -14.046 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 2 18.315 -15.185 0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 2 20.010 -15.720 0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 2 18.794 -16.754 1.119 1.00 0.00 H new ATOM 30 N ASP A 3 17.311 -13.893 2.575 1.00 0.00 N ATOM 31 CA ASP A 3 16.063 -13.414 3.156 1.00 0.00 C ATOM 32 C ASP A 3 14.918 -13.892 2.269 1.00 0.00 C ATOM 33 O ASP A 3 15.124 -14.266 1.109 1.00 0.00 O ATOM 34 CB ASP A 3 16.044 -11.871 3.191 1.00 0.00 C ATOM 35 CG ASP A 3 16.747 -11.254 4.398 1.00 0.00 C ATOM 36 OD1 ASP A 3 17.897 -11.629 4.710 1.00 0.00 O ATOM 37 OD2 ASP A 3 16.152 -10.341 5.021 1.00 0.00 O ATOM 0 H ASP A 3 17.508 -13.458 1.674 1.00 0.00 H new ATOM 0 HA ASP A 3 15.964 -13.794 4.173 1.00 0.00 H new ATOM 0 HB2 ASP A 3 16.513 -11.494 2.282 1.00 0.00 H new ATOM 0 HB3 ASP A 3 15.008 -11.533 3.179 1.00 0.00 H new ATOM 42 N LYS A 4 13.686 -13.779 2.769 1.00 0.00 N ATOM 43 CA LYS A 4 12.470 -13.869 1.965 1.00 0.00 C ATOM 44 C LYS A 4 12.481 -12.901 0.781 1.00 0.00 C ATOM 45 O LYS A 4 11.834 -13.198 -0.220 1.00 0.00 O ATOM 46 CB LYS A 4 11.220 -13.637 2.842 1.00 0.00 C ATOM 47 CG LYS A 4 11.268 -12.358 3.700 1.00 0.00 C ATOM 48 CD LYS A 4 9.969 -12.154 4.492 1.00 0.00 C ATOM 49 CE LYS A 4 10.034 -10.908 5.389 1.00 0.00 C ATOM 50 NZ LYS A 4 10.946 -11.072 6.541 1.00 0.00 N ATOM 0 H LYS A 4 13.504 -13.620 3.760 1.00 0.00 H new ATOM 0 HA LYS A 4 12.434 -14.878 1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.342 -13.593 2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.089 -14.496 3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.110 -12.415 4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.441 -11.495 3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.133 -12.059 3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.776 -13.034 5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.360 -10.055 4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.033 -10.678 5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.935 -10.207 7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.633 -11.878 7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.912 -11.247 6.197 1.00 0.00 H new ATOM 64 N GLU A 5 13.175 -11.761 0.907 1.00 0.00 N ATOM 65 CA GLU A 5 13.172 -10.631 -0.023 1.00 0.00 C ATOM 66 C GLU A 5 11.775 -10.353 -0.595 1.00 0.00 C ATOM 67 O GLU A 5 11.598 -10.086 -1.789 1.00 0.00 O ATOM 68 CB GLU A 5 14.267 -10.769 -1.096 1.00 0.00 C ATOM 69 CG GLU A 5 15.681 -10.573 -0.514 1.00 0.00 C ATOM 70 CD GLU A 5 16.729 -10.170 -1.564 1.00 0.00 C ATOM 71 OE1 GLU A 5 16.375 -9.498 -2.567 1.00 0.00 O ATOM 72 OE2 GLU A 5 17.922 -10.495 -1.382 1.00 0.00 O ATOM 0 H GLU A 5 13.787 -11.597 1.707 1.00 0.00 H new ATOM 0 HA GLU A 5 13.430 -9.738 0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.199 -11.754 -1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.095 -10.036 -1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.643 -9.808 0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.998 -11.498 -0.033 1.00 0.00 H new ATOM 79 N LEU A 6 10.765 -10.380 0.280 1.00 0.00 N ATOM 80 CA LEU A 6 9.471 -9.779 -0.016 1.00 0.00 C ATOM 81 C LEU A 6 9.735 -8.298 -0.260 1.00 0.00 C ATOM 82 O LEU A 6 10.278 -7.631 0.621 1.00 0.00 O ATOM 83 CB LEU A 6 8.481 -10.008 1.138 1.00 0.00 C ATOM 84 CG LEU A 6 7.153 -9.259 0.889 1.00 0.00 C ATOM 85 CD1 LEU A 6 5.955 -10.151 1.206 1.00 0.00 C ATOM 86 CD2 LEU A 6 7.049 -7.975 1.717 1.00 0.00 C ATOM 0 H LEU A 6 10.824 -10.814 1.201 1.00 0.00 H new ATOM 0 HA LEU A 6 9.010 -10.233 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.285 -11.075 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.924 -9.668 2.074 1.00 0.00 H new ATOM 0 HG LEU A 6 7.145 -8.991 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.033 -9.600 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.982 -11.036 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.994 -10.455 2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.099 -7.483 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.105 -8.220 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.869 -7.306 1.455 1.00 0.00 H new ATOM 98 N LYS A 7 9.417 -7.797 -1.453 1.00 0.00 N ATOM 99 CA LYS A 7 9.608 -6.386 -1.753 1.00 0.00 C ATOM 100 C LYS A 7 8.320 -5.668 -1.386 1.00 0.00 C ATOM 101 O LYS A 7 7.239 -6.126 -1.755 1.00 0.00 O ATOM 102 CB LYS A 7 10.011 -6.201 -3.225 1.00 0.00 C ATOM 103 CG LYS A 7 10.348 -4.732 -3.541 1.00 0.00 C ATOM 104 CD LYS A 7 11.746 -4.513 -4.125 1.00 0.00 C ATOM 105 CE LYS A 7 11.890 -5.104 -5.530 1.00 0.00 C ATOM 106 NZ LYS A 7 13.066 -4.548 -6.226 1.00 0.00 N ATOM 0 H LYS A 7 9.029 -8.346 -2.220 1.00 0.00 H new ATOM 0 HA LYS A 7 10.424 -5.957 -1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.874 -6.829 -3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.198 -6.535 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.610 -4.346 -4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.254 -4.146 -2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.959 -3.445 -4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.487 -4.965 -3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.983 -6.188 -5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.990 -4.896 -6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.090 -4.902 -7.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.005 -3.510 -6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.933 -4.840 -5.731 1.00 0.00 H new ATOM 120 N PHE A 8 8.420 -4.551 -0.673 1.00 0.00 N ATOM 121 CA PHE A 8 7.314 -3.617 -0.576 1.00 0.00 C ATOM 122 C PHE A 8 7.299 -2.802 -1.862 1.00 0.00 C ATOM 123 O PHE A 8 8.346 -2.363 -2.329 1.00 0.00 O ATOM 124 CB PHE A 8 7.502 -2.704 0.645 1.00 0.00 C ATOM 125 CG PHE A 8 7.033 -3.313 1.953 1.00 0.00 C ATOM 126 CD1 PHE A 8 7.609 -4.500 2.447 1.00 0.00 C ATOM 127 CD2 PHE A 8 5.975 -2.713 2.659 1.00 0.00 C ATOM 128 CE1 PHE A 8 7.087 -5.110 3.600 1.00 0.00 C ATOM 129 CE2 PHE A 8 5.480 -3.307 3.834 1.00 0.00 C ATOM 130 CZ PHE A 8 6.023 -4.516 4.293 1.00 0.00 C ATOM 0 H PHE A 8 9.255 -4.275 -0.157 1.00 0.00 H new ATOM 0 HA PHE A 8 6.368 -4.143 -0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 8 8.558 -2.448 0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.961 -1.773 0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 8 8.453 -4.942 1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.541 -1.793 2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.507 -6.040 3.954 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.681 -2.832 4.383 1.00 0.00 H new ATOM 0 HZ PHE A 8 5.622 -4.988 5.178 1.00 0.00 H new ATOM 140 N LEU A 9 6.124 -2.548 -2.420 1.00 0.00 N ATOM 141 CA LEU A 9 5.908 -1.463 -3.354 1.00 0.00 C ATOM 142 C LEU A 9 5.198 -0.362 -2.575 1.00 0.00 C ATOM 143 O LEU A 9 4.327 -0.653 -1.748 1.00 0.00 O ATOM 144 CB LEU A 9 5.067 -1.960 -4.538 1.00 0.00 C ATOM 145 CG LEU A 9 4.969 -0.936 -5.678 1.00 0.00 C ATOM 146 CD1 LEU A 9 6.307 -0.708 -6.387 1.00 0.00 C ATOM 147 CD2 LEU A 9 3.937 -1.418 -6.697 1.00 0.00 C ATOM 0 H LEU A 9 5.286 -3.099 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 9 6.842 -1.084 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.501 -2.883 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.064 -2.202 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 9 4.670 0.014 -5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.177 0.025 -7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.040 -0.339 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.658 -1.648 -6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.863 -0.695 -7.509 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.245 -2.384 -7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.966 -1.519 -6.212 1.00 0.00 H new ATOM 159 N VAL A 10 5.584 0.883 -2.833 1.00 0.00 N ATOM 160 CA VAL A 10 5.002 2.070 -2.226 1.00 0.00 C ATOM 161 C VAL A 10 4.753 3.073 -3.368 1.00 0.00 C ATOM 162 O VAL A 10 5.703 3.653 -3.892 1.00 0.00 O ATOM 163 CB VAL A 10 5.897 2.622 -1.084 1.00 0.00 C ATOM 164 CG1 VAL A 10 5.086 3.599 -0.222 1.00 0.00 C ATOM 165 CG2 VAL A 10 6.486 1.571 -0.118 1.00 0.00 C ATOM 0 H VAL A 10 6.333 1.098 -3.491 1.00 0.00 H new ATOM 0 HA VAL A 10 4.055 1.848 -1.734 1.00 0.00 H new ATOM 0 HB VAL A 10 6.734 3.084 -1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.715 3.986 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.737 4.426 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.229 3.080 0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.093 2.071 0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.675 1.029 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.107 0.871 -0.677 1.00 0.00 H new ATOM 175 N VAL A 11 3.500 3.223 -3.812 1.00 0.00 N ATOM 176 CA VAL A 11 3.112 4.111 -4.917 1.00 0.00 C ATOM 177 C VAL A 11 2.250 5.248 -4.358 1.00 0.00 C ATOM 178 O VAL A 11 1.066 5.391 -4.678 1.00 0.00 O ATOM 179 CB VAL A 11 2.440 3.337 -6.081 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.408 4.162 -7.375 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.149 2.012 -6.381 1.00 0.00 C ATOM 0 H VAL A 11 2.710 2.721 -3.406 1.00 0.00 H new ATOM 0 HA VAL A 11 4.004 4.551 -5.363 1.00 0.00 H new ATOM 0 HB VAL A 11 1.422 3.137 -5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.929 3.582 -8.164 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.846 5.080 -7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.427 4.410 -7.674 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.642 1.506 -7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.185 2.208 -6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.125 1.378 -5.495 1.00 0.00 H new ATOM 191 N ASP A 12 2.799 6.041 -3.445 1.00 0.00 N ATOM 192 CA ASP A 12 2.160 7.273 -3.001 1.00 0.00 C ATOM 193 C ASP A 12 2.453 8.412 -3.969 1.00 0.00 C ATOM 194 O ASP A 12 3.521 8.491 -4.585 1.00 0.00 O ATOM 195 CB ASP A 12 2.586 7.669 -1.591 1.00 0.00 C ATOM 196 CG ASP A 12 4.092 7.842 -1.533 1.00 0.00 C ATOM 197 OD1 ASP A 12 4.745 6.781 -1.473 1.00 0.00 O ATOM 198 OD2 ASP A 12 4.580 8.993 -1.523 1.00 0.00 O ATOM 0 H ASP A 12 3.694 5.849 -2.994 1.00 0.00 H new ATOM 0 HA ASP A 12 1.087 7.082 -2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.094 8.597 -1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.272 6.905 -0.879 1.00 0.00 H new ATOM 203 N ASP A 13 1.462 9.290 -4.101 1.00 0.00 N ATOM 204 CA ASP A 13 1.491 10.459 -4.966 1.00 0.00 C ATOM 205 C ASP A 13 2.519 11.461 -4.455 1.00 0.00 C ATOM 206 O ASP A 13 3.436 11.854 -5.180 1.00 0.00 O ATOM 207 CB ASP A 13 0.100 11.107 -4.987 1.00 0.00 C ATOM 208 CG ASP A 13 0.113 12.389 -5.816 1.00 0.00 C ATOM 209 OD1 ASP A 13 0.525 13.445 -5.285 1.00 0.00 O ATOM 210 OD2 ASP A 13 -0.308 12.365 -6.996 1.00 0.00 O ATOM 0 H ASP A 13 0.585 9.200 -3.588 1.00 0.00 H new ATOM 0 HA ASP A 13 1.768 10.155 -5.975 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.626 10.408 -5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.218 11.330 -3.969 1.00 0.00 H new ATOM 215 N PHE A 14 2.336 11.908 -3.211 1.00 0.00 N ATOM 216 CA PHE A 14 3.148 12.944 -2.607 1.00 0.00 C ATOM 217 C PHE A 14 4.403 12.298 -2.047 1.00 0.00 C ATOM 218 O PHE A 14 4.428 12.056 -0.849 1.00 0.00 O ATOM 219 CB PHE A 14 2.363 13.683 -1.503 1.00 0.00 C ATOM 220 CG PHE A 14 3.126 14.862 -0.912 1.00 0.00 C ATOM 221 CD1 PHE A 14 3.680 15.845 -1.757 1.00 0.00 C ATOM 222 CD2 PHE A 14 3.337 14.954 0.478 1.00 0.00 C ATOM 223 CE1 PHE A 14 4.441 16.897 -1.219 1.00 0.00 C ATOM 224 CE2 PHE A 14 4.089 16.015 1.014 1.00 0.00 C ATOM 225 CZ PHE A 14 4.635 16.993 0.166 1.00 0.00 C ATOM 0 H PHE A 14 1.607 11.550 -2.594 1.00 0.00 H new ATOM 0 HA PHE A 14 3.421 13.687 -3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.418 14.039 -1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.119 12.980 -0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.519 15.789 -2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.919 14.206 1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.878 17.635 -1.876 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.247 16.078 2.081 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.201 17.815 0.579 1.00 0.00 H new ATOM 235 N SER A 15 5.429 12.072 -2.875 1.00 0.00 N ATOM 236 CA SER A 15 6.611 11.234 -2.627 1.00 0.00 C ATOM 237 C SER A 15 7.211 11.319 -1.205 1.00 0.00 C ATOM 238 O SER A 15 7.814 10.359 -0.719 1.00 0.00 O ATOM 239 CB SER A 15 7.657 11.584 -3.699 1.00 0.00 C ATOM 240 OG SER A 15 8.653 10.588 -3.845 1.00 0.00 O ATOM 0 H SER A 15 5.459 12.499 -3.801 1.00 0.00 H new ATOM 0 HA SER A 15 6.289 10.195 -2.693 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.155 11.731 -4.655 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.132 12.530 -3.440 1.00 0.00 H new ATOM 0 HG SER A 15 9.289 10.861 -4.539 1.00 0.00 H new ATOM 246 N THR A 16 7.060 12.437 -0.495 1.00 0.00 N ATOM 247 CA THR A 16 7.281 12.551 0.942 1.00 0.00 C ATOM 248 C THR A 16 6.677 11.358 1.711 1.00 0.00 C ATOM 249 O THR A 16 7.361 10.762 2.540 1.00 0.00 O ATOM 250 CB THR A 16 6.650 13.874 1.407 1.00 0.00 C ATOM 251 OG1 THR A 16 6.979 14.940 0.533 1.00 0.00 O ATOM 252 CG2 THR A 16 7.062 14.258 2.829 1.00 0.00 C ATOM 0 H THR A 16 6.770 13.317 -0.922 1.00 0.00 H new ATOM 0 HA THR A 16 8.351 12.541 1.149 1.00 0.00 H new ATOM 0 HB THR A 16 5.573 13.705 1.394 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.208 15.538 0.442 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.587 15.200 3.104 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.748 13.477 3.522 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.145 14.371 2.876 1.00 0.00 H new ATOM 260 N MET A 17 5.425 10.977 1.435 1.00 0.00 N ATOM 261 CA MET A 17 4.768 9.787 1.951 1.00 0.00 C ATOM 262 C MET A 17 5.634 8.542 1.731 1.00 0.00 C ATOM 263 O MET A 17 5.696 7.718 2.638 1.00 0.00 O ATOM 264 CB MET A 17 3.394 9.616 1.276 1.00 0.00 C ATOM 265 CG MET A 17 2.179 10.145 2.036 1.00 0.00 C ATOM 266 SD MET A 17 2.198 11.870 2.588 1.00 0.00 S ATOM 267 CE MET A 17 0.419 12.200 2.430 1.00 0.00 C ATOM 0 H MET A 17 4.821 11.519 0.817 1.00 0.00 H new ATOM 0 HA MET A 17 4.625 9.907 3.025 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.429 10.111 0.306 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.239 8.554 1.086 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.304 10.009 1.401 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.036 9.516 2.915 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.212 13.228 2.727 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.112 12.052 1.395 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.136 11.518 3.074 1.00 0.00 H new ATOM 277 N ARG A 18 6.350 8.406 0.612 1.00 0.00 N ATOM 278 CA ARG A 18 7.180 7.243 0.300 1.00 0.00 C ATOM 279 C ARG A 18 8.339 7.170 1.276 1.00 0.00 C ATOM 280 O ARG A 18 8.664 6.101 1.806 1.00 0.00 O ATOM 281 CB ARG A 18 7.664 7.352 -1.166 1.00 0.00 C ATOM 282 CG ARG A 18 7.727 6.001 -1.888 1.00 0.00 C ATOM 283 CD ARG A 18 8.950 5.181 -1.485 1.00 0.00 C ATOM 284 NE ARG A 18 10.180 5.827 -1.968 1.00 0.00 N ATOM 285 CZ ARG A 18 11.389 5.756 -1.416 1.00 0.00 C ATOM 286 NH1 ARG A 18 11.543 5.218 -0.210 1.00 0.00 N ATOM 287 NH2 ARG A 18 12.426 6.228 -2.091 1.00 0.00 N ATOM 0 H ARG A 18 6.368 9.118 -0.118 1.00 0.00 H new ATOM 0 HA ARG A 18 6.606 6.322 0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.996 8.017 -1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.653 7.810 -1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.823 5.432 -1.668 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.744 6.168 -2.965 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.987 5.079 -0.400 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.874 4.175 -1.897 1.00 0.00 H new ATOM 0 HE ARG A 18 10.098 6.389 -2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.733 4.858 0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.471 5.165 0.210 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.290 6.636 -3.016 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.361 6.183 -1.686 1.00 0.00 H new ATOM 301 N ARG A 19 8.953 8.330 1.522 1.00 0.00 N ATOM 302 CA ARG A 19 9.974 8.522 2.540 1.00 0.00 C ATOM 303 C ARG A 19 9.407 8.073 3.878 1.00 0.00 C ATOM 304 O ARG A 19 9.965 7.165 4.492 1.00 0.00 O ATOM 305 CB ARG A 19 10.411 10.002 2.575 1.00 0.00 C ATOM 306 CG ARG A 19 11.927 10.179 2.528 1.00 0.00 C ATOM 307 CD ARG A 19 12.482 9.811 1.147 1.00 0.00 C ATOM 308 NE ARG A 19 13.604 10.691 0.802 1.00 0.00 N ATOM 309 CZ ARG A 19 13.512 11.845 0.134 1.00 0.00 C ATOM 310 NH1 ARG A 19 12.402 12.177 -0.519 1.00 0.00 N ATOM 311 NH2 ARG A 19 14.548 12.674 0.147 1.00 0.00 N ATOM 0 H ARG A 19 8.744 9.182 1.001 1.00 0.00 H new ATOM 0 HA ARG A 19 10.859 7.928 2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.963 10.527 1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.025 10.468 3.482 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.183 11.212 2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.393 9.554 3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.811 8.772 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.697 9.899 0.396 1.00 0.00 H new ATOM 0 HE ARG A 19 14.535 10.397 1.097 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.601 11.546 -0.516 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.352 13.063 -1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.394 12.425 0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.499 13.560 -0.356 1.00 0.00 H new ATOM 325 N ILE A 20 8.294 8.682 4.296 1.00 0.00 N ATOM 326 CA ILE A 20 7.651 8.434 5.574 1.00 0.00 C ATOM 327 C ILE A 20 7.384 6.939 5.713 1.00 0.00 C ATOM 328 O ILE A 20 7.915 6.335 6.631 1.00 0.00 O ATOM 329 CB ILE A 20 6.416 9.352 5.769 1.00 0.00 C ATOM 330 CG1 ILE A 20 6.828 10.660 6.481 1.00 0.00 C ATOM 331 CG2 ILE A 20 5.316 8.700 6.623 1.00 0.00 C ATOM 332 CD1 ILE A 20 7.623 11.621 5.595 1.00 0.00 C ATOM 0 H ILE A 20 7.807 9.380 3.733 1.00 0.00 H new ATOM 0 HA ILE A 20 8.309 8.705 6.400 1.00 0.00 H new ATOM 0 HB ILE A 20 6.026 9.542 4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.931 11.167 6.837 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.424 10.412 7.359 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.478 9.389 6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.976 7.784 6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.714 8.464 7.610 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.876 12.516 6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.538 11.134 5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.022 11.900 4.729 1.00 0.00 H new ATOM 344 N VAL A 21 6.583 6.327 4.843 1.00 0.00 N ATOM 345 CA VAL A 21 6.192 4.928 4.944 1.00 0.00 C ATOM 346 C VAL A 21 7.429 4.032 5.028 1.00 0.00 C ATOM 347 O VAL A 21 7.441 3.150 5.889 1.00 0.00 O ATOM 348 CB VAL A 21 5.243 4.561 3.783 1.00 0.00 C ATOM 349 CG1 VAL A 21 4.954 3.052 3.716 1.00 0.00 C ATOM 350 CG2 VAL A 21 3.894 5.287 3.945 1.00 0.00 C ATOM 0 H VAL A 21 6.182 6.801 4.034 1.00 0.00 H new ATOM 0 HA VAL A 21 5.635 4.763 5.867 1.00 0.00 H new ATOM 0 HB VAL A 21 5.748 4.867 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.282 2.847 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.888 2.509 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.487 2.729 4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.235 5.019 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.433 4.992 4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.058 6.365 3.943 1.00 0.00 H new ATOM 360 N ARG A 22 8.481 4.253 4.219 1.00 0.00 N ATOM 361 CA ARG A 22 9.701 3.458 4.372 1.00 0.00 C ATOM 362 C ARG A 22 10.277 3.662 5.776 1.00 0.00 C ATOM 363 O ARG A 22 10.635 2.693 6.429 1.00 0.00 O ATOM 364 CB ARG A 22 10.767 3.818 3.328 1.00 0.00 C ATOM 365 CG ARG A 22 11.914 2.781 3.321 1.00 0.00 C ATOM 366 CD ARG A 22 13.278 3.435 3.102 1.00 0.00 C ATOM 367 NE ARG A 22 14.203 2.637 2.284 1.00 0.00 N ATOM 368 CZ ARG A 22 14.890 1.533 2.591 1.00 0.00 C ATOM 369 NH1 ARG A 22 14.704 0.891 3.743 1.00 0.00 N ATOM 370 NH2 ARG A 22 15.765 1.067 1.714 1.00 0.00 N ATOM 0 H ARG A 22 8.509 4.953 3.477 1.00 0.00 H new ATOM 0 HA ARG A 22 9.429 2.414 4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.310 3.866 2.339 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.169 4.808 3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.919 2.240 4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.734 2.047 2.536 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.132 4.404 2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.738 3.624 4.072 1.00 0.00 H new ATOM 0 HE ARG A 22 14.342 2.980 1.333 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.023 1.240 4.417 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.243 0.050 3.951 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.903 1.549 0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.301 0.226 1.926 1.00 0.00 H new ATOM 384 N ASN A 23 10.405 4.906 6.236 1.00 0.00 N ATOM 385 CA ASN A 23 10.976 5.246 7.538 1.00 0.00 C ATOM 386 C ASN A 23 10.183 4.591 8.675 1.00 0.00 C ATOM 387 O ASN A 23 10.761 4.021 9.597 1.00 0.00 O ATOM 388 CB ASN A 23 11.015 6.776 7.689 1.00 0.00 C ATOM 389 CG ASN A 23 11.980 7.241 8.772 1.00 0.00 C ATOM 390 OD1 ASN A 23 12.160 6.603 9.803 1.00 0.00 O ATOM 391 ND2 ASN A 23 12.627 8.371 8.553 1.00 0.00 N ATOM 0 H ASN A 23 10.108 5.723 5.702 1.00 0.00 H new ATOM 0 HA ASN A 23 11.994 4.860 7.597 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.303 7.223 6.737 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.014 7.139 7.922 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.287 8.724 9.246 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.467 8.891 7.690 1.00 0.00 H new ATOM 398 N LEU A 24 8.852 4.611 8.595 1.00 0.00 N ATOM 399 CA LEU A 24 7.968 3.954 9.550 1.00 0.00 C ATOM 400 C LEU A 24 8.182 2.436 9.507 1.00 0.00 C ATOM 401 O LEU A 24 8.232 1.806 10.557 1.00 0.00 O ATOM 402 CB LEU A 24 6.493 4.287 9.265 1.00 0.00 C ATOM 403 CG LEU A 24 6.080 5.772 9.302 1.00 0.00 C ATOM 404 CD1 LEU A 24 4.613 5.876 8.873 1.00 0.00 C ATOM 405 CD2 LEU A 24 6.309 6.455 10.651 1.00 0.00 C ATOM 0 H LEU A 24 8.352 5.094 7.849 1.00 0.00 H new ATOM 0 HA LEU A 24 8.212 4.324 10.546 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.243 3.893 8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.881 3.749 9.989 1.00 0.00 H new ATOM 0 HG LEU A 24 6.727 6.310 8.609 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.301 6.920 8.893 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.501 5.483 7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.992 5.299 9.558 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.992 7.496 10.590 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.730 5.944 11.420 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.368 6.412 10.905 1.00 0.00 H new ATOM 417 N LEU A 25 8.343 1.836 8.322 1.00 0.00 N ATOM 418 CA LEU A 25 8.709 0.422 8.201 1.00 0.00 C ATOM 419 C LEU A 25 10.104 0.152 8.785 1.00 0.00 C ATOM 420 O LEU A 25 10.349 -0.941 9.285 1.00 0.00 O ATOM 421 CB LEU A 25 8.650 -0.029 6.728 1.00 0.00 C ATOM 422 CG LEU A 25 7.220 -0.238 6.202 1.00 0.00 C ATOM 423 CD1 LEU A 25 7.158 -0.078 4.680 1.00 0.00 C ATOM 424 CD2 LEU A 25 6.698 -1.633 6.564 1.00 0.00 C ATOM 0 H LEU A 25 8.224 2.313 7.428 1.00 0.00 H new ATOM 0 HA LEU A 25 7.986 -0.157 8.776 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.150 0.716 6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.207 -0.960 6.620 1.00 0.00 H new ATOM 0 HG LEU A 25 6.597 0.522 6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.134 -0.232 4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.485 0.925 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.811 -0.813 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.685 -1.753 6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.346 -2.390 6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.691 -1.749 7.648 1.00 0.00 H new ATOM 436 N LYS A 26 11.027 1.118 8.763 1.00 0.00 N ATOM 437 CA LYS A 26 12.322 0.978 9.428 1.00 0.00 C ATOM 438 C LYS A 26 12.190 1.085 10.947 1.00 0.00 C ATOM 439 O LYS A 26 12.999 0.466 11.639 1.00 0.00 O ATOM 440 CB LYS A 26 13.342 1.991 8.892 1.00 0.00 C ATOM 441 CG LYS A 26 13.764 1.671 7.451 1.00 0.00 C ATOM 442 CD LYS A 26 14.956 2.524 6.990 1.00 0.00 C ATOM 443 CE LYS A 26 16.271 1.735 7.037 1.00 0.00 C ATOM 444 NZ LYS A 26 16.828 1.563 8.393 1.00 0.00 N ATOM 0 H LYS A 26 10.898 2.011 8.288 1.00 0.00 H new ATOM 0 HA LYS A 26 12.693 -0.021 9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.914 2.993 8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.222 1.995 9.535 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.025 0.615 7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.920 1.838 6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.780 2.877 5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.039 3.407 7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.107 0.751 6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.008 2.243 6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.714 1.021 8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.018 2.496 8.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.145 1.051 8.987 1.00 0.00 H new ATOM 458 N GLU A 27 11.202 1.819 11.467 1.00 0.00 N ATOM 459 CA GLU A 27 10.888 1.813 12.894 1.00 0.00 C ATOM 460 C GLU A 27 10.357 0.435 13.301 1.00 0.00 C ATOM 461 O GLU A 27 10.785 -0.100 14.322 1.00 0.00 O ATOM 462 CB GLU A 27 9.847 2.888 13.273 1.00 0.00 C ATOM 463 CG GLU A 27 10.300 4.345 13.137 1.00 0.00 C ATOM 464 CD GLU A 27 11.329 4.721 14.200 1.00 0.00 C ATOM 465 OE1 GLU A 27 12.541 4.502 13.978 1.00 0.00 O ATOM 466 OE2 GLU A 27 10.940 5.237 15.275 1.00 0.00 O ATOM 0 H GLU A 27 10.602 2.430 10.912 1.00 0.00 H new ATOM 0 HA GLU A 27 11.811 2.041 13.427 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.964 2.744 12.651 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.540 2.719 14.305 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.727 4.502 12.146 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.435 5.004 13.219 1.00 0.00 H new ATOM 473 N LEU A 28 9.389 -0.115 12.559 1.00 0.00 N ATOM 474 CA LEU A 28 8.703 -1.363 12.872 1.00 0.00 C ATOM 475 C LEU A 28 8.107 -1.918 11.587 1.00 0.00 C ATOM 476 O LEU A 28 7.036 -1.536 11.120 1.00 0.00 O ATOM 477 CB LEU A 28 7.671 -1.237 14.009 1.00 0.00 C ATOM 478 CG LEU A 28 6.949 0.110 14.164 1.00 0.00 C ATOM 479 CD1 LEU A 28 5.893 0.382 13.087 1.00 0.00 C ATOM 480 CD2 LEU A 28 6.319 0.177 15.560 1.00 0.00 C ATOM 0 H LEU A 28 9.054 0.315 11.697 1.00 0.00 H new ATOM 0 HA LEU A 28 9.432 -2.070 13.268 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.915 -2.009 13.865 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.177 -1.458 14.949 1.00 0.00 H new ATOM 0 HG LEU A 28 7.699 0.891 14.037 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.430 1.352 13.268 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.367 0.384 12.105 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.130 -0.396 13.121 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.803 1.130 15.681 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.606 -0.639 15.677 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.099 0.088 16.316 1.00 0.00 H new ATOM 492 N GLY A 29 8.871 -2.807 10.981 1.00 0.00 N ATOM 493 CA GLY A 29 8.523 -3.448 9.725 1.00 0.00 C ATOM 494 C GLY A 29 9.749 -3.937 8.969 1.00 0.00 C ATOM 495 O GLY A 29 10.608 -4.606 9.547 1.00 0.00 O ATOM 0 H GLY A 29 9.770 -3.111 11.355 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.859 -4.290 9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.970 -2.745 9.101 1.00 0.00 H new ATOM 499 N PHE A 30 9.822 -3.630 7.673 1.00 0.00 N ATOM 500 CA PHE A 30 10.652 -4.349 6.714 1.00 0.00 C ATOM 501 C PHE A 30 11.484 -3.394 5.849 1.00 0.00 C ATOM 502 O PHE A 30 11.209 -2.195 5.774 1.00 0.00 O ATOM 503 CB PHE A 30 9.735 -5.222 5.840 1.00 0.00 C ATOM 504 CG PHE A 30 8.837 -6.189 6.603 1.00 0.00 C ATOM 505 CD1 PHE A 30 7.587 -5.768 7.103 1.00 0.00 C ATOM 506 CD2 PHE A 30 9.259 -7.511 6.834 1.00 0.00 C ATOM 507 CE1 PHE A 30 6.783 -6.651 7.848 1.00 0.00 C ATOM 508 CE2 PHE A 30 8.457 -8.393 7.580 1.00 0.00 C ATOM 509 CZ PHE A 30 7.223 -7.963 8.092 1.00 0.00 C ATOM 0 H PHE A 30 9.296 -2.862 7.257 1.00 0.00 H new ATOM 0 HA PHE A 30 11.362 -4.974 7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.106 -4.568 5.235 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.355 -5.795 5.150 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.245 -4.762 6.913 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.204 -7.850 6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.829 -6.321 8.232 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.792 -9.404 7.759 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.613 -8.639 8.672 1.00 0.00 H new ATOM 519 N ASN A 31 12.480 -3.948 5.156 1.00 0.00 N ATOM 520 CA ASN A 31 13.322 -3.268 4.167 1.00 0.00 C ATOM 521 C ASN A 31 12.959 -3.735 2.752 1.00 0.00 C ATOM 522 O ASN A 31 12.009 -4.496 2.583 1.00 0.00 O ATOM 523 CB ASN A 31 14.809 -3.501 4.495 1.00 0.00 C ATOM 524 CG ASN A 31 15.193 -4.979 4.508 1.00 0.00 C ATOM 525 OD1 ASN A 31 15.167 -5.605 5.559 1.00 0.00 O ATOM 526 ND2 ASN A 31 15.555 -5.580 3.393 1.00 0.00 N ATOM 0 H ASN A 31 12.735 -4.929 5.274 1.00 0.00 H new ATOM 0 HA ASN A 31 13.142 -2.194 4.208 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.423 -2.978 3.762 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.033 -3.064 5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.813 -6.567 3.406 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.577 -5.059 2.517 1.00 0.00 H new ATOM 533 N ASN A 32 13.720 -3.287 1.744 1.00 0.00 N ATOM 534 CA ASN A 32 13.520 -3.509 0.309 1.00 0.00 C ATOM 535 C ASN A 32 12.155 -2.975 -0.105 1.00 0.00 C ATOM 536 O ASN A 32 11.186 -3.727 -0.217 1.00 0.00 O ATOM 537 CB ASN A 32 13.756 -4.972 -0.130 1.00 0.00 C ATOM 538 CG ASN A 32 15.225 -5.379 -0.094 1.00 0.00 C ATOM 539 OD1 ASN A 32 15.997 -4.881 0.718 1.00 0.00 O ATOM 540 ND2 ASN A 32 15.665 -6.283 -0.948 1.00 0.00 N ATOM 0 H ASN A 32 14.549 -2.721 1.925 1.00 0.00 H new ATOM 0 HA ASN A 32 14.287 -2.948 -0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.185 -5.636 0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.372 -5.108 -1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.645 -6.566 -0.932 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.025 -6.699 -1.625 1.00 0.00 H new ATOM 547 N VAL A 33 12.084 -1.660 -0.331 1.00 0.00 N ATOM 548 CA VAL A 33 10.869 -0.991 -0.780 1.00 0.00 C ATOM 549 C VAL A 33 11.138 -0.353 -2.145 1.00 0.00 C ATOM 550 O VAL A 33 12.246 0.134 -2.391 1.00 0.00 O ATOM 551 CB VAL A 33 10.305 -0.016 0.285 1.00 0.00 C ATOM 552 CG1 VAL A 33 10.572 -0.463 1.739 1.00 0.00 C ATOM 553 CG2 VAL A 33 10.785 1.436 0.126 1.00 0.00 C ATOM 0 H VAL A 33 12.876 -1.029 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 33 10.068 -1.719 -0.908 1.00 0.00 H new ATOM 0 HB VAL A 33 9.232 -0.049 0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.149 0.268 2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.109 -1.435 1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 33 11.647 -0.538 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.345 2.053 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.872 1.471 0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 33 10.479 1.816 -0.849 1.00 0.00 H new ATOM 563 N GLU A 34 10.133 -0.310 -3.010 1.00 0.00 N ATOM 564 CA GLU A 34 10.205 0.212 -4.365 1.00 0.00 C ATOM 565 C GLU A 34 9.100 1.237 -4.581 1.00 0.00 C ATOM 566 O GLU A 34 8.225 1.394 -3.727 1.00 0.00 O ATOM 567 CB GLU A 34 10.039 -0.957 -5.353 1.00 0.00 C ATOM 568 CG GLU A 34 10.890 -0.791 -6.615 1.00 0.00 C ATOM 569 CD GLU A 34 12.387 -0.714 -6.321 1.00 0.00 C ATOM 570 OE1 GLU A 34 13.021 -1.765 -6.057 1.00 0.00 O ATOM 571 OE2 GLU A 34 12.952 0.397 -6.415 1.00 0.00 O ATOM 0 H GLU A 34 9.203 -0.655 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 34 11.168 0.697 -4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.311 -1.888 -4.856 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.990 -1.042 -5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.700 -1.628 -7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.581 0.114 -7.138 1.00 0.00 H new ATOM 578 N GLU A 35 9.088 1.863 -5.757 1.00 0.00 N ATOM 579 CA GLU A 35 8.035 2.763 -6.190 1.00 0.00 C ATOM 580 C GLU A 35 7.605 2.377 -7.600 1.00 0.00 C ATOM 581 O GLU A 35 8.318 1.663 -8.319 1.00 0.00 O ATOM 582 CB GLU A 35 8.486 4.236 -6.169 1.00 0.00 C ATOM 583 CG GLU A 35 9.334 4.640 -4.958 1.00 0.00 C ATOM 584 CD GLU A 35 10.822 4.324 -5.143 1.00 0.00 C ATOM 585 OE1 GLU A 35 11.454 4.937 -6.036 1.00 0.00 O ATOM 586 OE2 GLU A 35 11.413 3.544 -4.364 1.00 0.00 O ATOM 0 H GLU A 35 9.831 1.752 -6.447 1.00 0.00 H new ATOM 0 HA GLU A 35 7.201 2.669 -5.495 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.056 4.438 -7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.601 4.871 -6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.214 5.708 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.965 4.122 -4.073 1.00 0.00 H new ATOM 593 N ALA A 36 6.468 2.929 -8.005 1.00 0.00 N ATOM 594 CA ALA A 36 6.028 3.060 -9.376 1.00 0.00 C ATOM 595 C ALA A 36 5.738 4.546 -9.595 1.00 0.00 C ATOM 596 O ALA A 36 5.752 5.332 -8.642 1.00 0.00 O ATOM 597 CB ALA A 36 4.783 2.197 -9.596 1.00 0.00 C ATOM 0 H ALA A 36 5.795 3.317 -7.344 1.00 0.00 H new ATOM 0 HA ALA A 36 6.780 2.719 -10.088 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.450 2.295 -10.629 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.022 1.154 -9.389 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.989 2.527 -8.926 1.00 0.00 H new ATOM 603 N GLU A 37 5.469 4.932 -10.837 1.00 0.00 N ATOM 604 CA GLU A 37 5.073 6.294 -11.160 1.00 0.00 C ATOM 605 C GLU A 37 3.684 6.593 -10.584 1.00 0.00 C ATOM 606 O GLU A 37 3.463 7.681 -10.050 1.00 0.00 O ATOM 607 CB GLU A 37 5.080 6.469 -12.684 1.00 0.00 C ATOM 608 CG GLU A 37 6.485 6.310 -13.287 1.00 0.00 C ATOM 609 CD GLU A 37 7.050 7.638 -13.795 1.00 0.00 C ATOM 610 OE1 GLU A 37 6.626 8.114 -14.870 1.00 0.00 O ATOM 611 OE2 GLU A 37 7.944 8.217 -13.131 1.00 0.00 O ATOM 0 H GLU A 37 5.520 4.311 -11.644 1.00 0.00 H new ATOM 0 HA GLU A 37 5.778 6.997 -10.716 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.410 5.737 -13.134 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.689 7.455 -12.935 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.156 5.895 -12.535 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.447 5.595 -14.109 1.00 0.00 H new ATOM 618 N ASP A 38 2.759 5.636 -10.677 1.00 0.00 N ATOM 619 CA ASP A 38 1.330 5.770 -10.401 1.00 0.00 C ATOM 620 C ASP A 38 0.706 4.371 -10.420 1.00 0.00 C ATOM 621 O ASP A 38 1.409 3.395 -10.680 1.00 0.00 O ATOM 622 CB ASP A 38 0.648 6.692 -11.433 1.00 0.00 C ATOM 623 CG ASP A 38 0.263 6.032 -12.765 1.00 0.00 C ATOM 624 OD1 ASP A 38 0.904 5.053 -13.205 1.00 0.00 O ATOM 625 OD2 ASP A 38 -0.694 6.530 -13.400 1.00 0.00 O ATOM 0 H ASP A 38 3.004 4.689 -10.965 1.00 0.00 H new ATOM 0 HA ASP A 38 1.186 6.228 -9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.253 7.108 -10.981 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.315 7.528 -11.643 1.00 0.00 H new ATOM 630 N GLY A 39 -0.592 4.244 -10.134 1.00 0.00 N ATOM 631 CA GLY A 39 -1.297 2.967 -10.097 1.00 0.00 C ATOM 632 C GLY A 39 -1.189 2.183 -11.407 1.00 0.00 C ATOM 633 O GLY A 39 -1.065 0.956 -11.394 1.00 0.00 O ATOM 0 H GLY A 39 -1.190 5.042 -9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.897 2.361 -9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.349 3.146 -9.873 1.00 0.00 H new ATOM 637 N VAL A 40 -1.212 2.873 -12.547 1.00 0.00 N ATOM 638 CA VAL A 40 -1.113 2.233 -13.848 1.00 0.00 C ATOM 639 C VAL A 40 0.255 1.547 -13.962 1.00 0.00 C ATOM 640 O VAL A 40 0.334 0.385 -14.376 1.00 0.00 O ATOM 641 CB VAL A 40 -1.392 3.255 -14.970 1.00 0.00 C ATOM 642 CG1 VAL A 40 -1.515 2.527 -16.310 1.00 0.00 C ATOM 643 CG2 VAL A 40 -2.699 4.042 -14.762 1.00 0.00 C ATOM 0 H VAL A 40 -1.300 3.888 -12.589 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.872 1.459 -13.959 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.557 3.955 -14.955 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.712 3.251 -17.101 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.585 2.000 -16.524 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.335 1.811 -16.261 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.836 4.743 -15.585 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.540 3.349 -14.731 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.647 4.591 -13.822 1.00 0.00 H new ATOM 653 N ASP A 41 1.326 2.224 -13.549 1.00 0.00 N ATOM 654 CA ASP A 41 2.666 1.654 -13.491 1.00 0.00 C ATOM 655 C ASP A 41 2.794 0.626 -12.351 1.00 0.00 C ATOM 656 O ASP A 41 3.555 -0.337 -12.470 1.00 0.00 O ATOM 657 CB ASP A 41 3.690 2.790 -13.338 1.00 0.00 C ATOM 658 CG ASP A 41 5.137 2.308 -13.452 1.00 0.00 C ATOM 659 OD1 ASP A 41 5.471 1.502 -14.350 1.00 0.00 O ATOM 660 OD2 ASP A 41 6.002 2.776 -12.675 1.00 0.00 O ATOM 0 H ASP A 41 1.284 3.196 -13.242 1.00 0.00 H new ATOM 0 HA ASP A 41 2.863 1.117 -14.419 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.503 3.546 -14.101 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.548 3.272 -12.371 1.00 0.00 H new ATOM 665 N ALA A 42 2.029 0.777 -11.258 1.00 0.00 N ATOM 666 CA ALA A 42 2.028 -0.123 -10.118 1.00 0.00 C ATOM 667 C ALA A 42 1.623 -1.515 -10.562 1.00 0.00 C ATOM 668 O ALA A 42 2.306 -2.472 -10.209 1.00 0.00 O ATOM 669 CB ALA A 42 1.079 0.367 -9.018 1.00 0.00 C ATOM 0 H ALA A 42 1.378 1.555 -11.150 1.00 0.00 H new ATOM 0 HA ALA A 42 3.037 -0.147 -9.707 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.103 -0.330 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.394 1.354 -8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.065 0.426 -9.412 1.00 0.00 H new ATOM 675 N LEU A 43 0.543 -1.642 -11.343 1.00 0.00 N ATOM 676 CA LEU A 43 0.095 -2.954 -11.805 1.00 0.00 C ATOM 677 C LEU A 43 1.205 -3.659 -12.598 1.00 0.00 C ATOM 678 O LEU A 43 1.456 -4.852 -12.396 1.00 0.00 O ATOM 679 CB LEU A 43 -1.195 -2.831 -12.631 1.00 0.00 C ATOM 680 CG LEU A 43 -1.977 -4.162 -12.619 1.00 0.00 C ATOM 681 CD1 LEU A 43 -2.951 -4.210 -11.435 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.762 -4.369 -13.913 1.00 0.00 C ATOM 0 H LEU A 43 -0.028 -0.860 -11.663 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.130 -3.567 -10.932 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.818 -2.033 -12.226 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.951 -2.555 -13.657 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.240 -4.960 -12.524 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.491 -5.157 -11.446 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.394 -4.121 -10.502 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.661 -3.386 -11.514 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.299 -5.317 -13.865 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.475 -3.554 -14.040 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.073 -4.384 -14.758 1.00 0.00 H new ATOM 694 N ASN A 44 1.921 -2.913 -13.451 1.00 0.00 N ATOM 695 CA ASN A 44 3.063 -3.450 -14.190 1.00 0.00 C ATOM 696 C ASN A 44 4.155 -3.907 -13.223 1.00 0.00 C ATOM 697 O ASN A 44 4.745 -4.963 -13.461 1.00 0.00 O ATOM 698 CB ASN A 44 3.630 -2.432 -15.198 1.00 0.00 C ATOM 699 CG ASN A 44 4.547 -3.031 -16.275 1.00 0.00 C ATOM 700 OD1 ASN A 44 4.678 -2.451 -17.344 1.00 0.00 O ATOM 701 ND2 ASN A 44 5.207 -4.164 -16.068 1.00 0.00 N ATOM 0 H ASN A 44 1.725 -1.931 -13.644 1.00 0.00 H new ATOM 0 HA ASN A 44 2.708 -4.309 -14.760 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.798 -1.927 -15.689 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.186 -1.671 -14.650 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.814 -4.541 -16.796 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.107 -4.658 -15.181 1.00 0.00 H new ATOM 708 N LYS A 45 4.433 -3.161 -12.143 1.00 0.00 N ATOM 709 CA LYS A 45 5.353 -3.629 -11.103 1.00 0.00 C ATOM 710 C LYS A 45 4.900 -4.997 -10.621 1.00 0.00 C ATOM 711 O LYS A 45 5.693 -5.926 -10.708 1.00 0.00 O ATOM 712 CB LYS A 45 5.521 -2.643 -9.924 1.00 0.00 C ATOM 713 CG LYS A 45 6.734 -1.718 -10.069 1.00 0.00 C ATOM 714 CD LYS A 45 6.595 -0.753 -11.246 1.00 0.00 C ATOM 715 CE LYS A 45 7.890 0.033 -11.416 1.00 0.00 C ATOM 716 NZ LYS A 45 7.920 0.751 -12.700 1.00 0.00 N ATOM 0 H LYS A 45 4.035 -2.238 -11.970 1.00 0.00 H new ATOM 0 HA LYS A 45 6.344 -3.698 -11.552 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.620 -2.036 -9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.615 -3.209 -8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.865 -1.148 -9.149 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.633 -2.320 -10.201 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.370 -1.306 -12.158 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.763 -0.070 -11.074 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.995 0.745 -10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.740 -0.647 -11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.907 0.943 -12.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.469 0.168 -13.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.405 1.650 -12.607 1.00 0.00 H new ATOM 730 N LEU A 46 3.655 -5.163 -10.176 1.00 0.00 N ATOM 731 CA LEU A 46 3.218 -6.436 -9.595 1.00 0.00 C ATOM 732 C LEU A 46 3.410 -7.581 -10.586 1.00 0.00 C ATOM 733 O LEU A 46 3.833 -8.665 -10.197 1.00 0.00 O ATOM 734 CB LEU A 46 1.746 -6.433 -9.159 1.00 0.00 C ATOM 735 CG LEU A 46 1.227 -5.133 -8.555 1.00 0.00 C ATOM 736 CD1 LEU A 46 -0.244 -5.275 -8.228 1.00 0.00 C ATOM 737 CD2 LEU A 46 1.961 -4.640 -7.306 1.00 0.00 C ATOM 0 H LEU A 46 2.936 -4.441 -10.205 1.00 0.00 H new ATOM 0 HA LEU A 46 3.839 -6.576 -8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.131 -6.678 -10.025 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.603 -7.231 -8.430 1.00 0.00 H new ATOM 0 HG LEU A 46 1.410 -4.380 -9.322 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.612 -4.344 -7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.799 -5.497 -9.139 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.381 -6.086 -7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.509 -3.710 -6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.887 -5.392 -6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.010 -4.467 -7.545 1.00 0.00 H new ATOM 749 N GLN A 47 3.112 -7.359 -11.869 1.00 0.00 N ATOM 750 CA GLN A 47 3.309 -8.372 -12.903 1.00 0.00 C ATOM 751 C GLN A 47 4.779 -8.737 -13.129 1.00 0.00 C ATOM 752 O GLN A 47 5.067 -9.811 -13.663 1.00 0.00 O ATOM 753 CB GLN A 47 2.657 -7.892 -14.207 1.00 0.00 C ATOM 754 CG GLN A 47 1.170 -8.262 -14.234 1.00 0.00 C ATOM 755 CD GLN A 47 0.948 -9.781 -14.314 1.00 0.00 C ATOM 756 OE1 GLN A 47 1.773 -10.518 -14.843 1.00 0.00 O ATOM 757 NE2 GLN A 47 -0.139 -10.314 -13.792 1.00 0.00 N ATOM 0 H GLN A 47 2.731 -6.479 -12.216 1.00 0.00 H new ATOM 0 HA GLN A 47 2.831 -9.289 -12.558 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.770 -6.812 -14.301 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.165 -8.341 -15.061 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.685 -7.873 -13.339 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.694 -7.782 -15.089 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.837 -9.717 -13.348 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.282 -11.323 -13.832 1.00 0.00 H new ATOM 766 N ALA A 48 5.697 -7.880 -12.709 1.00 0.00 N ATOM 767 CA ALA A 48 7.134 -7.997 -12.899 1.00 0.00 C ATOM 768 C ALA A 48 7.896 -8.424 -11.636 1.00 0.00 C ATOM 769 O ALA A 48 9.135 -8.424 -11.658 1.00 0.00 O ATOM 770 CB ALA A 48 7.663 -6.662 -13.429 1.00 0.00 C ATOM 0 H ALA A 48 5.444 -7.035 -12.197 1.00 0.00 H new ATOM 0 HA ALA A 48 7.308 -8.797 -13.619 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.741 -6.731 -13.578 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.180 -6.430 -14.378 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.446 -5.873 -12.709 1.00 0.00 H new ATOM 776 N GLY A 49 7.226 -8.769 -10.528 1.00 0.00 N ATOM 777 CA GLY A 49 7.970 -9.207 -9.357 1.00 0.00 C ATOM 778 C GLY A 49 7.158 -9.555 -8.123 1.00 0.00 C ATOM 779 O GLY A 49 5.949 -9.339 -8.046 1.00 0.00 O ATOM 0 H GLY A 49 6.211 -8.753 -10.425 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.558 -10.082 -9.635 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.676 -8.421 -9.089 1.00 0.00 H new ATOM 783 N GLY A 50 7.864 -10.049 -7.107 1.00 0.00 N ATOM 784 CA GLY A 50 7.330 -10.411 -5.809 1.00 0.00 C ATOM 785 C GLY A 50 7.218 -9.173 -4.929 1.00 0.00 C ATOM 786 O GLY A 50 7.842 -9.098 -3.863 1.00 0.00 O ATOM 0 H GLY A 50 8.868 -10.212 -7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.350 -10.874 -5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.977 -11.148 -5.333 1.00 0.00 H new ATOM 790 N TYR A 51 6.449 -8.193 -5.403 1.00 0.00 N ATOM 791 CA TYR A 51 6.030 -7.017 -4.661 1.00 0.00 C ATOM 792 C TYR A 51 4.924 -7.460 -3.704 1.00 0.00 C ATOM 793 O TYR A 51 3.745 -7.193 -3.923 1.00 0.00 O ATOM 794 CB TYR A 51 5.572 -5.913 -5.623 1.00 0.00 C ATOM 795 CG TYR A 51 6.653 -5.460 -6.586 1.00 0.00 C ATOM 796 CD1 TYR A 51 7.559 -4.438 -6.241 1.00 0.00 C ATOM 797 CD2 TYR A 51 6.768 -6.091 -7.835 1.00 0.00 C ATOM 798 CE1 TYR A 51 8.545 -4.029 -7.159 1.00 0.00 C ATOM 799 CE2 TYR A 51 7.774 -5.712 -8.734 1.00 0.00 C ATOM 800 CZ TYR A 51 8.649 -4.662 -8.419 1.00 0.00 C ATOM 801 OH TYR A 51 9.550 -4.270 -9.358 1.00 0.00 O ATOM 0 H TYR A 51 6.088 -8.203 -6.357 1.00 0.00 H new ATOM 0 HA TYR A 51 6.853 -6.591 -4.087 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.716 -6.272 -6.194 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.231 -5.055 -5.043 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.497 -3.967 -5.271 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.076 -6.875 -8.105 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.224 -3.230 -6.900 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.876 -6.232 -9.675 1.00 0.00 H new ATOM 0 HH TYR A 51 9.460 -4.835 -10.154 1.00 0.00 H new ATOM 811 N GLY A 52 5.311 -8.196 -2.664 1.00 0.00 N ATOM 812 CA GLY A 52 4.403 -8.837 -1.729 1.00 0.00 C ATOM 813 C GLY A 52 3.639 -7.849 -0.849 1.00 0.00 C ATOM 814 O GLY A 52 2.776 -8.279 -0.084 1.00 0.00 O ATOM 0 H GLY A 52 6.293 -8.365 -2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.689 -9.443 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.969 -9.516 -1.092 1.00 0.00 H new ATOM 818 N PHE A 53 3.922 -6.549 -0.945 1.00 0.00 N ATOM 819 CA PHE A 53 3.152 -5.480 -0.335 1.00 0.00 C ATOM 820 C PHE A 53 2.877 -4.424 -1.397 1.00 0.00 C ATOM 821 O PHE A 53 3.792 -4.073 -2.140 1.00 0.00 O ATOM 822 CB PHE A 53 3.918 -4.878 0.850 1.00 0.00 C ATOM 823 CG PHE A 53 3.323 -5.171 2.209 1.00 0.00 C ATOM 824 CD1 PHE A 53 3.646 -6.364 2.878 1.00 0.00 C ATOM 825 CD2 PHE A 53 2.508 -4.214 2.841 1.00 0.00 C ATOM 826 CE1 PHE A 53 3.199 -6.578 4.190 1.00 0.00 C ATOM 827 CE2 PHE A 53 2.072 -4.423 4.160 1.00 0.00 C ATOM 828 CZ PHE A 53 2.427 -5.602 4.839 1.00 0.00 C ATOM 0 H PHE A 53 4.726 -6.206 -1.471 1.00 0.00 H new ATOM 0 HA PHE A 53 2.209 -5.868 0.049 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.942 -5.252 0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.971 -3.797 0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.239 -7.117 2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.217 -3.318 2.312 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.449 -7.495 4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.464 -3.678 4.652 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.106 -5.756 5.859 1.00 0.00 H new ATOM 838 N VAL A 54 1.649 -3.907 -1.455 1.00 0.00 N ATOM 839 CA VAL A 54 1.195 -2.990 -2.500 1.00 0.00 C ATOM 840 C VAL A 54 0.605 -1.755 -1.820 1.00 0.00 C ATOM 841 O VAL A 54 -0.591 -1.484 -1.890 1.00 0.00 O ATOM 842 CB VAL A 54 0.229 -3.731 -3.453 1.00 0.00 C ATOM 843 CG1 VAL A 54 -0.039 -3.001 -4.778 1.00 0.00 C ATOM 844 CG2 VAL A 54 0.806 -5.089 -3.847 1.00 0.00 C ATOM 0 H VAL A 54 0.929 -4.118 -0.764 1.00 0.00 H new ATOM 0 HA VAL A 54 2.011 -2.642 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.700 -3.804 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.726 -3.590 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.481 -2.026 -4.573 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.899 -2.869 -5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.114 -5.598 -4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.761 -4.946 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.955 -5.694 -2.953 1.00 0.00 H new ATOM 854 N ILE A 55 1.448 -1.013 -1.105 1.00 0.00 N ATOM 855 CA ILE A 55 1.037 0.228 -0.465 1.00 0.00 C ATOM 856 C ILE A 55 0.939 1.293 -1.562 1.00 0.00 C ATOM 857 O ILE A 55 1.804 1.355 -2.438 1.00 0.00 O ATOM 858 CB ILE A 55 1.999 0.607 0.694 1.00 0.00 C ATOM 859 CG1 ILE A 55 2.382 -0.644 1.527 1.00 0.00 C ATOM 860 CG2 ILE A 55 1.349 1.693 1.570 1.00 0.00 C ATOM 861 CD1 ILE A 55 3.118 -0.392 2.848 1.00 0.00 C ATOM 0 H ILE A 55 2.427 -1.255 -0.955 1.00 0.00 H new ATOM 0 HA ILE A 55 0.062 0.127 0.012 1.00 0.00 H new ATOM 0 HB ILE A 55 2.922 1.008 0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.470 -1.199 1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.006 -1.288 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.025 1.958 2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.146 2.576 0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.414 1.315 1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.329 -1.344 3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.054 0.129 2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.495 0.219 3.501 1.00 0.00 H new ATOM 873 N SER A 56 -0.082 2.145 -1.519 1.00 0.00 N ATOM 874 CA SER A 56 -0.132 3.310 -2.390 1.00 0.00 C ATOM 875 C SER A 56 -0.936 4.435 -1.742 1.00 0.00 C ATOM 876 O SER A 56 -1.626 4.221 -0.737 1.00 0.00 O ATOM 877 CB SER A 56 -0.653 2.905 -3.785 1.00 0.00 C ATOM 878 OG SER A 56 -1.871 2.184 -3.788 1.00 0.00 O ATOM 0 H SER A 56 -0.881 2.049 -0.892 1.00 0.00 H new ATOM 0 HA SER A 56 0.874 3.705 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.782 3.807 -4.383 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.109 2.302 -4.279 1.00 0.00 H new ATOM 0 HG SER A 56 -2.124 1.973 -4.711 1.00 0.00 H new ATOM 884 N ASP A 57 -0.846 5.638 -2.314 1.00 0.00 N ATOM 885 CA ASP A 57 -1.880 6.653 -2.095 1.00 0.00 C ATOM 886 C ASP A 57 -3.140 6.116 -2.797 1.00 0.00 C ATOM 887 O ASP A 57 -3.074 5.140 -3.547 1.00 0.00 O ATOM 888 CB ASP A 57 -1.420 8.037 -2.615 1.00 0.00 C ATOM 889 CG ASP A 57 -2.322 9.206 -2.191 1.00 0.00 C ATOM 890 OD1 ASP A 57 -3.478 9.287 -2.656 1.00 0.00 O ATOM 891 OD2 ASP A 57 -1.922 9.996 -1.312 1.00 0.00 O ATOM 0 H ASP A 57 -0.081 5.931 -2.923 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.087 6.819 -1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.408 8.227 -2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.374 8.006 -3.704 1.00 0.00 H new ATOM 896 N TRP A 58 -4.294 6.731 -2.583 1.00 0.00 N ATOM 897 CA TRP A 58 -5.455 6.557 -3.427 1.00 0.00 C ATOM 898 C TRP A 58 -5.049 6.898 -4.858 1.00 0.00 C ATOM 899 O TRP A 58 -4.999 6.009 -5.712 1.00 0.00 O ATOM 900 CB TRP A 58 -6.568 7.476 -2.908 1.00 0.00 C ATOM 901 CG TRP A 58 -7.808 7.465 -3.735 1.00 0.00 C ATOM 902 CD1 TRP A 58 -8.149 8.367 -4.682 1.00 0.00 C ATOM 903 CD2 TRP A 58 -8.878 6.487 -3.710 1.00 0.00 C ATOM 904 NE1 TRP A 58 -9.349 7.997 -5.260 1.00 0.00 N ATOM 905 CE2 TRP A 58 -9.861 6.860 -4.673 1.00 0.00 C ATOM 906 CE3 TRP A 58 -9.116 5.337 -2.937 1.00 0.00 C ATOM 907 CZ2 TRP A 58 -11.057 6.142 -4.821 1.00 0.00 C ATOM 908 CZ3 TRP A 58 -10.322 4.625 -3.066 1.00 0.00 C ATOM 909 CH2 TRP A 58 -11.299 5.048 -3.984 1.00 0.00 C ATOM 0 H TRP A 58 -4.447 7.373 -1.805 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.828 5.533 -3.410 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.822 7.181 -1.890 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -6.187 8.496 -2.859 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -7.573 9.242 -4.946 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -9.799 8.502 -6.024 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -8.366 4.997 -2.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -11.780 6.430 -5.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -10.498 3.750 -2.458 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -12.242 4.525 -4.043 1.00 0.00 H new ATOM 920 N ASN A 59 -4.690 8.169 -5.069 1.00 0.00 N ATOM 921 CA ASN A 59 -4.519 8.850 -6.350 1.00 0.00 C ATOM 922 C ASN A 59 -5.711 8.631 -7.294 1.00 0.00 C ATOM 923 O ASN A 59 -6.548 7.755 -7.106 1.00 0.00 O ATOM 924 CB ASN A 59 -3.181 8.420 -6.979 1.00 0.00 C ATOM 925 CG ASN A 59 -2.528 9.499 -7.837 1.00 0.00 C ATOM 926 OD1 ASN A 59 -3.191 10.272 -8.522 1.00 0.00 O ATOM 927 ND2 ASN A 59 -1.213 9.580 -7.809 1.00 0.00 N ATOM 0 H ASN A 59 -4.497 8.793 -4.286 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.490 9.925 -6.173 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.492 8.135 -6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.346 7.533 -7.591 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.734 10.292 -8.361 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.674 8.931 -7.235 1.00 0.00 H new ATOM 934 N MET A 60 -5.814 9.419 -8.355 1.00 0.00 N ATOM 935 CA MET A 60 -6.724 9.149 -9.451 1.00 0.00 C ATOM 936 C MET A 60 -6.054 9.636 -10.735 1.00 0.00 C ATOM 937 O MET A 60 -6.394 10.710 -11.222 1.00 0.00 O ATOM 938 CB MET A 60 -8.106 9.754 -9.140 1.00 0.00 C ATOM 939 CG MET A 60 -9.207 9.320 -10.114 1.00 0.00 C ATOM 940 SD MET A 60 -9.890 10.663 -11.116 1.00 0.00 S ATOM 941 CE MET A 60 -9.219 10.205 -12.734 1.00 0.00 C ATOM 0 H MET A 60 -5.263 10.269 -8.477 1.00 0.00 H new ATOM 0 HA MET A 60 -6.924 8.087 -9.590 1.00 0.00 H new ATOM 0 HB2 MET A 60 -8.397 9.470 -8.129 1.00 0.00 H new ATOM 0 HB3 MET A 60 -8.028 10.841 -9.156 1.00 0.00 H new ATOM 0 HG2 MET A 60 -8.806 8.555 -10.779 1.00 0.00 H new ATOM 0 HG3 MET A 60 -10.016 8.858 -9.547 1.00 0.00 H new ATOM 0 HE1 MET A 60 -9.062 11.104 -13.330 1.00 0.00 H new ATOM 0 HE2 MET A 60 -8.269 9.687 -12.601 1.00 0.00 H new ATOM 0 HE3 MET A 60 -9.921 9.548 -13.246 1.00 0.00 H new ATOM 951 N PRO A 61 -5.063 8.892 -11.260 1.00 0.00 N ATOM 952 CA PRO A 61 -4.408 9.222 -12.515 1.00 0.00 C ATOM 953 C PRO A 61 -5.287 8.813 -13.700 1.00 0.00 C ATOM 954 O PRO A 61 -5.532 9.607 -14.610 1.00 0.00 O ATOM 955 CB PRO A 61 -3.096 8.435 -12.473 1.00 0.00 C ATOM 956 CG PRO A 61 -3.402 7.194 -11.640 1.00 0.00 C ATOM 957 CD PRO A 61 -4.465 7.698 -10.667 1.00 0.00 C ATOM 0 HA PRO A 61 -4.231 10.290 -12.639 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.766 8.165 -13.476 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.297 9.024 -12.023 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.772 6.374 -12.255 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.517 6.827 -11.119 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.223 6.933 -10.495 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.021 7.930 -9.699 1.00 0.00 H new ATOM 965 N ASN A 62 -5.734 7.557 -13.668 1.00 0.00 N ATOM 966 CA ASN A 62 -6.550 6.830 -14.629 1.00 0.00 C ATOM 967 C ASN A 62 -7.025 5.601 -13.859 1.00 0.00 C ATOM 968 O ASN A 62 -8.132 5.588 -13.323 1.00 0.00 O ATOM 969 CB ASN A 62 -5.706 6.431 -15.852 1.00 0.00 C ATOM 970 CG ASN A 62 -6.481 5.597 -16.867 1.00 0.00 C ATOM 971 OD1 ASN A 62 -7.687 5.385 -16.764 1.00 0.00 O ATOM 972 ND2 ASN A 62 -5.792 5.072 -17.859 1.00 0.00 N ATOM 0 H ASN A 62 -5.503 6.960 -12.874 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.382 7.419 -15.015 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.334 7.332 -16.339 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.835 5.868 -15.517 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.259 4.484 -18.549 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.791 5.253 -17.937 1.00 0.00 H new ATOM 979 N MET A 63 -6.119 4.634 -13.677 1.00 0.00 N ATOM 980 CA MET A 63 -6.244 3.600 -12.657 1.00 0.00 C ATOM 981 C MET A 63 -5.972 4.247 -11.303 1.00 0.00 C ATOM 982 O MET A 63 -4.826 4.345 -10.866 1.00 0.00 O ATOM 983 CB MET A 63 -5.308 2.412 -12.928 1.00 0.00 C ATOM 984 CG MET A 63 -5.573 1.262 -11.946 1.00 0.00 C ATOM 985 SD MET A 63 -5.446 -0.422 -12.620 1.00 0.00 S ATOM 986 CE MET A 63 -3.796 -0.367 -13.362 1.00 0.00 C ATOM 0 H MET A 63 -5.273 4.551 -14.241 1.00 0.00 H new ATOM 0 HA MET A 63 -7.252 3.184 -12.671 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.448 2.061 -13.950 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.271 2.736 -12.842 1.00 0.00 H new ATOM 0 HG2 MET A 63 -4.871 1.352 -11.117 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.573 1.390 -11.532 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.505 -1.369 -13.676 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.808 0.295 -14.228 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.080 0.006 -12.630 1.00 0.00 H new ATOM 996 N ASP A 64 -7.029 4.760 -10.683 1.00 0.00 N ATOM 997 CA ASP A 64 -7.050 5.130 -9.272 1.00 0.00 C ATOM 998 C ASP A 64 -6.852 3.898 -8.388 1.00 0.00 C ATOM 999 O ASP A 64 -6.898 2.756 -8.857 1.00 0.00 O ATOM 1000 CB ASP A 64 -8.357 5.864 -8.943 1.00 0.00 C ATOM 1001 CG ASP A 64 -9.611 5.023 -9.138 1.00 0.00 C ATOM 1002 OD1 ASP A 64 -9.781 3.998 -8.455 1.00 0.00 O ATOM 1003 OD2 ASP A 64 -10.427 5.413 -10.005 1.00 0.00 O ATOM 0 H ASP A 64 -7.915 4.934 -11.158 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.222 5.809 -9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.319 6.205 -7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.429 6.753 -9.569 1.00 0.00 H new ATOM 1008 N GLY A 65 -6.621 4.126 -7.095 1.00 0.00 N ATOM 1009 CA GLY A 65 -6.341 3.069 -6.139 1.00 0.00 C ATOM 1010 C GLY A 65 -7.490 2.076 -5.968 1.00 0.00 C ATOM 1011 O GLY A 65 -7.255 0.970 -5.474 1.00 0.00 O ATOM 0 H GLY A 65 -6.624 5.060 -6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.450 2.529 -6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.112 3.517 -5.172 1.00 0.00 H new ATOM 1015 N LEU A 66 -8.722 2.433 -6.340 1.00 0.00 N ATOM 1016 CA LEU A 66 -9.875 1.547 -6.274 1.00 0.00 C ATOM 1017 C LEU A 66 -9.813 0.580 -7.440 1.00 0.00 C ATOM 1018 O LEU A 66 -9.918 -0.628 -7.242 1.00 0.00 O ATOM 1019 CB LEU A 66 -11.178 2.372 -6.311 1.00 0.00 C ATOM 1020 CG LEU A 66 -12.320 1.794 -5.472 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -12.801 0.425 -5.953 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -11.935 1.718 -3.992 1.00 0.00 C ATOM 0 H LEU A 66 -8.944 3.361 -6.700 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.862 0.984 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.963 3.382 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.511 2.456 -7.346 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.153 2.486 -5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.611 0.078 -5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.160 0.505 -6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.976 -0.286 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.766 1.304 -3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.060 1.078 -3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.705 2.718 -3.624 1.00 0.00 H new ATOM 1034 N GLU A 67 -9.597 1.101 -8.642 1.00 0.00 N ATOM 1035 CA GLU A 67 -9.406 0.291 -9.830 1.00 0.00 C ATOM 1036 C GLU A 67 -8.184 -0.611 -9.673 1.00 0.00 C ATOM 1037 O GLU A 67 -8.262 -1.797 -10.001 1.00 0.00 O ATOM 1038 CB GLU A 67 -9.272 1.199 -11.057 1.00 0.00 C ATOM 1039 CG GLU A 67 -10.595 1.846 -11.474 1.00 0.00 C ATOM 1040 CD GLU A 67 -11.682 0.800 -11.722 1.00 0.00 C ATOM 1041 OE1 GLU A 67 -11.435 -0.192 -12.446 1.00 0.00 O ATOM 1042 OE2 GLU A 67 -12.789 0.907 -11.147 1.00 0.00 O ATOM 0 H GLU A 67 -9.550 2.105 -8.817 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.275 -0.353 -9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.543 1.981 -10.845 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.881 0.617 -11.891 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.924 2.536 -10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.443 2.435 -12.379 1.00 0.00 H new ATOM 1049 N LEU A 68 -7.081 -0.085 -9.129 1.00 0.00 N ATOM 1050 CA LEU A 68 -5.875 -0.848 -8.826 1.00 0.00 C ATOM 1051 C LEU A 68 -6.234 -2.018 -7.908 1.00 0.00 C ATOM 1052 O LEU A 68 -5.952 -3.170 -8.242 1.00 0.00 O ATOM 1053 CB LEU A 68 -4.817 0.079 -8.199 1.00 0.00 C ATOM 1054 CG LEU A 68 -3.452 -0.590 -7.943 1.00 0.00 C ATOM 1055 CD1 LEU A 68 -2.744 -0.990 -9.246 1.00 0.00 C ATOM 1056 CD2 LEU A 68 -2.552 0.369 -7.155 1.00 0.00 C ATOM 0 H LEU A 68 -7.005 0.902 -8.884 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.447 -1.260 -9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.670 0.937 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.202 0.462 -7.254 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.637 -1.500 -7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.787 -1.457 -9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.367 -1.695 -9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.575 -0.102 -9.856 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.587 -0.104 -6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.406 1.284 -7.728 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.023 0.609 -6.202 1.00 0.00 H new ATOM 1068 N LEU A 69 -6.907 -1.732 -6.787 1.00 0.00 N ATOM 1069 CA LEU A 69 -7.404 -2.735 -5.852 1.00 0.00 C ATOM 1070 C LEU A 69 -8.264 -3.760 -6.575 1.00 0.00 C ATOM 1071 O LEU A 69 -7.954 -4.941 -6.484 1.00 0.00 O ATOM 1072 CB LEU A 69 -8.115 -2.049 -4.672 1.00 0.00 C ATOM 1073 CG LEU A 69 -9.212 -2.822 -3.908 1.00 0.00 C ATOM 1074 CD1 LEU A 69 -8.876 -4.218 -3.364 1.00 0.00 C ATOM 1075 CD2 LEU A 69 -9.576 -1.963 -2.694 1.00 0.00 C ATOM 0 H LEU A 69 -7.123 -0.776 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.570 -3.293 -5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.351 -1.761 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.562 -1.128 -5.047 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.995 -2.995 -4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.747 -4.629 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.596 -4.873 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.046 -4.145 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.352 -2.463 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.693 -1.820 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.943 -0.994 -3.031 1.00 0.00 H new ATOM 1087 N LYS A 70 -9.319 -3.376 -7.293 1.00 0.00 N ATOM 1088 CA LYS A 70 -10.211 -4.380 -7.883 1.00 0.00 C ATOM 1089 C LYS A 70 -9.507 -5.238 -8.921 1.00 0.00 C ATOM 1090 O LYS A 70 -9.783 -6.436 -8.971 1.00 0.00 O ATOM 1091 CB LYS A 70 -11.453 -3.753 -8.509 1.00 0.00 C ATOM 1092 CG LYS A 70 -12.364 -3.135 -7.451 1.00 0.00 C ATOM 1093 CD LYS A 70 -13.789 -3.041 -7.991 1.00 0.00 C ATOM 1094 CE LYS A 70 -14.610 -2.213 -7.011 1.00 0.00 C ATOM 1095 NZ LYS A 70 -16.042 -2.209 -7.332 1.00 0.00 N ATOM 0 H LYS A 70 -9.575 -2.406 -7.478 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.520 -5.017 -7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.154 -2.987 -9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.003 -4.512 -9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.347 -3.740 -6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.002 -2.144 -7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.793 -2.578 -8.978 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.220 -4.036 -8.104 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.469 -2.605 -6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.240 -1.188 -7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.553 -1.631 -6.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.184 -1.810 -8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.406 -3.183 -7.308 1.00 0.00 H new ATOM 1109 N THR A 71 -8.606 -4.659 -9.709 1.00 0.00 N ATOM 1110 CA THR A 71 -7.795 -5.378 -10.682 1.00 0.00 C ATOM 1111 C THR A 71 -6.919 -6.414 -9.962 1.00 0.00 C ATOM 1112 O THR A 71 -6.743 -7.532 -10.445 1.00 0.00 O ATOM 1113 CB THR A 71 -6.967 -4.350 -11.475 1.00 0.00 C ATOM 1114 OG1 THR A 71 -7.828 -3.383 -12.055 1.00 0.00 O ATOM 1115 CG2 THR A 71 -6.152 -4.965 -12.611 1.00 0.00 C ATOM 0 H THR A 71 -8.417 -3.657 -9.687 1.00 0.00 H new ATOM 0 HA THR A 71 -8.419 -5.929 -11.386 1.00 0.00 H new ATOM 0 HB THR A 71 -6.277 -3.911 -10.755 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.099 -2.735 -11.372 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.595 -4.182 -13.125 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.456 -5.698 -12.204 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.823 -5.455 -13.316 1.00 0.00 H new ATOM 1123 N ILE A 72 -6.374 -6.072 -8.793 1.00 0.00 N ATOM 1124 CA ILE A 72 -5.547 -6.961 -7.984 1.00 0.00 C ATOM 1125 C ILE A 72 -6.459 -8.044 -7.383 1.00 0.00 C ATOM 1126 O ILE A 72 -6.157 -9.231 -7.476 1.00 0.00 O ATOM 1127 CB ILE A 72 -4.802 -6.092 -6.943 1.00 0.00 C ATOM 1128 CG1 ILE A 72 -3.618 -5.404 -7.658 1.00 0.00 C ATOM 1129 CG2 ILE A 72 -4.249 -6.930 -5.781 1.00 0.00 C ATOM 1130 CD1 ILE A 72 -3.038 -4.234 -6.855 1.00 0.00 C ATOM 0 H ILE A 72 -6.500 -5.150 -8.376 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.783 -7.487 -8.557 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.506 -5.370 -6.529 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.833 -6.138 -7.840 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.948 -5.042 -8.632 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.734 -6.278 -5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.071 -7.437 -5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.549 -7.671 -6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.209 -3.790 -7.406 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.812 -3.483 -6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.680 -4.596 -5.891 1.00 0.00 H new ATOM 1142 N ARG A 73 -7.595 -7.654 -6.800 1.00 0.00 N ATOM 1143 CA ARG A 73 -8.570 -8.532 -6.158 1.00 0.00 C ATOM 1144 C ARG A 73 -9.155 -9.538 -7.150 1.00 0.00 C ATOM 1145 O ARG A 73 -9.581 -10.618 -6.746 1.00 0.00 O ATOM 1146 CB ARG A 73 -9.665 -7.666 -5.500 1.00 0.00 C ATOM 1147 CG ARG A 73 -10.312 -8.284 -4.244 1.00 0.00 C ATOM 1148 CD ARG A 73 -11.764 -8.738 -4.440 1.00 0.00 C ATOM 1149 NE ARG A 73 -11.870 -9.962 -5.251 1.00 0.00 N ATOM 1150 CZ ARG A 73 -12.996 -10.470 -5.763 1.00 0.00 C ATOM 1151 NH1 ARG A 73 -14.167 -9.890 -5.520 1.00 0.00 N ATOM 1152 NH2 ARG A 73 -12.949 -11.562 -6.514 1.00 0.00 N ATOM 0 H ARG A 73 -7.871 -6.673 -6.762 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.075 -9.120 -5.386 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.233 -6.702 -5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.446 -7.472 -6.235 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.716 -9.139 -3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.278 -7.554 -3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.221 -8.911 -3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.329 -7.939 -4.920 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.005 -10.469 -5.440 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.211 -9.052 -4.940 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.022 -10.283 -5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.054 -12.014 -6.701 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.808 -11.950 -6.905 1.00 0.00 H new ATOM 1166 N ALA A 74 -9.220 -9.205 -8.439 1.00 0.00 N ATOM 1167 CA ALA A 74 -9.741 -10.084 -9.475 1.00 0.00 C ATOM 1168 C ALA A 74 -8.702 -11.095 -9.973 1.00 0.00 C ATOM 1169 O ALA A 74 -9.043 -11.950 -10.793 1.00 0.00 O ATOM 1170 CB ALA A 74 -10.208 -9.226 -10.650 1.00 0.00 C ATOM 0 H ALA A 74 -8.906 -8.302 -8.794 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.564 -10.654 -9.045 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.602 -9.870 -11.437 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.989 -8.544 -10.314 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.367 -8.652 -11.038 1.00 0.00 H new ATOM 1176 N ASP A 75 -7.437 -10.981 -9.572 1.00 0.00 N ATOM 1177 CA ASP A 75 -6.347 -11.785 -10.121 1.00 0.00 C ATOM 1178 C ASP A 75 -6.276 -13.149 -9.425 1.00 0.00 C ATOM 1179 O ASP A 75 -6.667 -13.279 -8.259 1.00 0.00 O ATOM 1180 CB ASP A 75 -5.046 -11.012 -9.924 1.00 0.00 C ATOM 1181 CG ASP A 75 -3.900 -11.649 -10.692 1.00 0.00 C ATOM 1182 OD1 ASP A 75 -3.714 -11.309 -11.884 1.00 0.00 O ATOM 1183 OD2 ASP A 75 -3.216 -12.508 -10.103 1.00 0.00 O ATOM 0 H ASP A 75 -7.138 -10.323 -8.852 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.516 -11.970 -11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.179 -9.982 -10.255 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.799 -10.976 -8.863 1.00 0.00 H new ATOM 1188 N GLY A 76 -5.768 -14.177 -10.108 1.00 0.00 N ATOM 1189 CA GLY A 76 -5.666 -15.522 -9.549 1.00 0.00 C ATOM 1190 C GLY A 76 -4.547 -15.670 -8.520 1.00 0.00 C ATOM 1191 O GLY A 76 -4.616 -16.571 -7.680 1.00 0.00 O ATOM 0 H GLY A 76 -5.417 -14.098 -11.062 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.615 -15.786 -9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.500 -16.232 -10.359 1.00 0.00 H new ATOM 1195 N ALA A 77 -3.534 -14.806 -8.553 1.00 0.00 N ATOM 1196 CA ALA A 77 -2.471 -14.735 -7.564 1.00 0.00 C ATOM 1197 C ALA A 77 -2.700 -13.522 -6.667 1.00 0.00 C ATOM 1198 O ALA A 77 -2.778 -13.655 -5.443 1.00 0.00 O ATOM 1199 CB ALA A 77 -1.111 -14.660 -8.267 1.00 0.00 C ATOM 0 H ALA A 77 -3.431 -14.115 -9.296 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.478 -15.631 -6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.318 -14.607 -7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.971 -15.548 -8.883 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.076 -13.772 -8.898 1.00 0.00 H new ATOM 1205 N MET A 78 -2.806 -12.336 -7.271 1.00 0.00 N ATOM 1206 CA MET A 78 -2.588 -11.078 -6.567 1.00 0.00 C ATOM 1207 C MET A 78 -3.688 -10.711 -5.576 1.00 0.00 C ATOM 1208 O MET A 78 -3.480 -9.806 -4.776 1.00 0.00 O ATOM 1209 CB MET A 78 -2.337 -9.924 -7.548 1.00 0.00 C ATOM 1210 CG MET A 78 -1.173 -10.209 -8.497 1.00 0.00 C ATOM 1211 SD MET A 78 -0.826 -8.841 -9.624 1.00 0.00 S ATOM 1212 CE MET A 78 0.498 -9.636 -10.564 1.00 0.00 C ATOM 0 H MET A 78 -3.044 -12.225 -8.257 1.00 0.00 H new ATOM 0 HA MET A 78 -1.692 -11.242 -5.969 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.241 -9.742 -8.130 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.130 -9.012 -6.987 1.00 0.00 H new ATOM 0 HG2 MET A 78 -0.279 -10.425 -7.912 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.397 -11.103 -9.079 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.911 -8.927 -11.281 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.283 -9.962 -9.882 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.099 -10.499 -11.096 1.00 0.00 H new ATOM 1222 N SER A 79 -4.818 -11.420 -5.548 1.00 0.00 N ATOM 1223 CA SER A 79 -5.897 -11.131 -4.606 1.00 0.00 C ATOM 1224 C SER A 79 -5.433 -11.230 -3.140 1.00 0.00 C ATOM 1225 O SER A 79 -6.060 -10.631 -2.261 1.00 0.00 O ATOM 1226 CB SER A 79 -7.101 -12.038 -4.905 1.00 0.00 C ATOM 1227 OG SER A 79 -8.283 -11.555 -4.293 1.00 0.00 O ATOM 0 H SER A 79 -5.009 -12.204 -6.172 1.00 0.00 H new ATOM 0 HA SER A 79 -6.208 -10.095 -4.742 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.249 -12.103 -5.983 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.894 -13.048 -4.550 1.00 0.00 H new ATOM 0 HG SER A 79 -8.877 -11.182 -4.977 1.00 0.00 H new ATOM 1233 N ALA A 80 -4.329 -11.930 -2.852 1.00 0.00 N ATOM 1234 CA ALA A 80 -3.756 -12.000 -1.512 1.00 0.00 C ATOM 1235 C ALA A 80 -2.980 -10.741 -1.111 1.00 0.00 C ATOM 1236 O ALA A 80 -2.605 -10.626 0.054 1.00 0.00 O ATOM 1237 CB ALA A 80 -2.820 -13.209 -1.426 1.00 0.00 C ATOM 0 H ALA A 80 -3.809 -12.464 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.592 -12.092 -0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.389 -13.265 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.383 -14.120 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.021 -13.103 -2.160 1.00 0.00 H new ATOM 1243 N LEU A 81 -2.663 -9.831 -2.036 1.00 0.00 N ATOM 1244 CA LEU A 81 -1.761 -8.718 -1.758 1.00 0.00 C ATOM 1245 C LEU A 81 -2.412 -7.730 -0.784 1.00 0.00 C ATOM 1246 O LEU A 81 -3.586 -7.398 -0.966 1.00 0.00 O ATOM 1247 CB LEU A 81 -1.384 -7.985 -3.062 1.00 0.00 C ATOM 1248 CG LEU A 81 -0.346 -8.735 -3.923 1.00 0.00 C ATOM 1249 CD1 LEU A 81 -0.104 -8.050 -5.278 1.00 0.00 C ATOM 1250 CD2 LEU A 81 0.997 -8.856 -3.192 1.00 0.00 C ATOM 0 H LEU A 81 -3.023 -9.847 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.856 -9.123 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.286 -7.828 -3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.991 -6.999 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.765 -9.726 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.634 -8.617 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.039 -8.009 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.264 -7.037 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.708 -9.389 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.382 -7.860 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.856 -9.405 -2.261 1.00 0.00 H new ATOM 1262 N PRO A 82 -1.674 -7.193 0.207 1.00 0.00 N ATOM 1263 CA PRO A 82 -2.119 -6.048 0.980 1.00 0.00 C ATOM 1264 C PRO A 82 -2.023 -4.795 0.103 1.00 0.00 C ATOM 1265 O PRO A 82 -1.042 -4.049 0.147 1.00 0.00 O ATOM 1266 CB PRO A 82 -1.224 -5.999 2.219 1.00 0.00 C ATOM 1267 CG PRO A 82 0.080 -6.599 1.722 1.00 0.00 C ATOM 1268 CD PRO A 82 -0.345 -7.595 0.638 1.00 0.00 C ATOM 0 HA PRO A 82 -3.159 -6.114 1.301 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.088 -4.979 2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.645 -6.574 3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.742 -5.832 1.319 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.621 -7.096 2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.355 -7.581 -0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.355 -8.613 1.028 1.00 0.00 H new ATOM 1276 N VAL A 83 -3.050 -4.588 -0.719 1.00 0.00 N ATOM 1277 CA VAL A 83 -3.388 -3.305 -1.312 1.00 0.00 C ATOM 1278 C VAL A 83 -3.796 -2.394 -0.167 1.00 0.00 C ATOM 1279 O VAL A 83 -4.793 -2.664 0.512 1.00 0.00 O ATOM 1280 CB VAL A 83 -4.480 -3.458 -2.383 1.00 0.00 C ATOM 1281 CG1 VAL A 83 -3.814 -3.912 -3.677 1.00 0.00 C ATOM 1282 CG2 VAL A 83 -5.585 -4.470 -2.041 1.00 0.00 C ATOM 0 H VAL A 83 -3.687 -5.335 -0.996 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.540 -2.870 -1.841 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.966 -2.486 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.570 -4.028 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.083 -3.167 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.313 -4.866 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.308 -4.508 -2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.144 -5.457 -1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.088 -4.164 -1.124 1.00 0.00 H new ATOM 1292 N LEU A 84 -2.955 -1.416 0.152 1.00 0.00 N ATOM 1293 CA LEU A 84 -2.975 -0.726 1.428 1.00 0.00 C ATOM 1294 C LEU A 84 -2.955 0.766 1.164 1.00 0.00 C ATOM 1295 O LEU A 84 -1.939 1.319 0.741 1.00 0.00 O ATOM 1296 CB LEU A 84 -1.807 -1.229 2.285 1.00 0.00 C ATOM 1297 CG LEU A 84 -1.746 -0.637 3.703 1.00 0.00 C ATOM 1298 CD1 LEU A 84 -3.123 -0.579 4.386 1.00 0.00 C ATOM 1299 CD2 LEU A 84 -0.765 -1.495 4.515 1.00 0.00 C ATOM 0 H LEU A 84 -2.231 -1.078 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.881 -0.934 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.872 -2.314 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.873 -1.001 1.771 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.408 0.398 3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.017 -0.152 5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.796 0.042 3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.533 -1.586 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.695 -1.105 5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.121 -2.525 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.219 -1.465 4.046 1.00 0.00 H new ATOM 1311 N MET A 85 -4.113 1.392 1.368 1.00 0.00 N ATOM 1312 CA MET A 85 -4.325 2.796 1.066 1.00 0.00 C ATOM 1313 C MET A 85 -3.699 3.607 2.204 1.00 0.00 C ATOM 1314 O MET A 85 -4.040 3.416 3.378 1.00 0.00 O ATOM 1315 CB MET A 85 -5.831 3.058 0.895 1.00 0.00 C ATOM 1316 CG MET A 85 -6.485 2.314 -0.282 1.00 0.00 C ATOM 1317 SD MET A 85 -6.292 3.141 -1.887 1.00 0.00 S ATOM 1318 CE MET A 85 -4.791 2.356 -2.531 1.00 0.00 C ATOM 0 H MET A 85 -4.936 0.928 1.752 1.00 0.00 H new ATOM 0 HA MET A 85 -3.852 3.094 0.130 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.342 2.774 1.815 1.00 0.00 H new ATOM 0 HB3 MET A 85 -5.987 4.129 0.761 1.00 0.00 H new ATOM 0 HG2 MET A 85 -6.057 1.314 -0.348 1.00 0.00 H new ATOM 0 HG3 MET A 85 -7.548 2.192 -0.074 1.00 0.00 H new ATOM 0 HE1 MET A 85 -4.817 2.361 -3.621 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.916 2.907 -2.186 1.00 0.00 H new ATOM 0 HE3 MET A 85 -4.736 1.328 -2.174 1.00 0.00 H new ATOM 1328 N VAL A 86 -2.739 4.468 1.872 1.00 0.00 N ATOM 1329 CA VAL A 86 -2.021 5.349 2.781 1.00 0.00 C ATOM 1330 C VAL A 86 -1.926 6.691 2.051 1.00 0.00 C ATOM 1331 O VAL A 86 -0.976 6.924 1.308 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.655 4.732 3.162 1.00 0.00 C ATOM 1333 CG1 VAL A 86 0.081 5.613 4.182 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.801 3.337 3.794 1.00 0.00 C ATOM 0 H VAL A 86 -2.426 4.573 0.907 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.526 5.492 3.736 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.094 4.658 2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.038 5.157 4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.251 6.601 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.523 5.708 5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.185 2.946 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.403 3.409 4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.289 2.666 3.087 1.00 0.00 H new ATOM 1344 N THR A 87 -2.941 7.544 2.203 1.00 0.00 N ATOM 1345 CA THR A 87 -3.209 8.628 1.258 1.00 0.00 C ATOM 1346 C THR A 87 -3.373 9.987 1.941 1.00 0.00 C ATOM 1347 O THR A 87 -3.454 10.088 3.164 1.00 0.00 O ATOM 1348 CB THR A 87 -4.420 8.214 0.391 1.00 0.00 C ATOM 1349 OG1 THR A 87 -4.885 9.228 -0.481 1.00 0.00 O ATOM 1350 CG2 THR A 87 -5.645 7.774 1.192 1.00 0.00 C ATOM 0 H THR A 87 -3.598 7.503 2.982 1.00 0.00 H new ATOM 0 HA THR A 87 -2.346 8.775 0.609 1.00 0.00 H new ATOM 0 HB THR A 87 -4.004 7.379 -0.172 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.524 9.077 -1.380 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.448 7.501 0.508 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.386 6.914 1.810 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.975 8.593 1.831 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.425 11.055 1.147 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.947 12.348 1.563 1.00 0.00 C ATOM 1360 C ALA A 88 -5.479 12.375 1.638 1.00 0.00 C ATOM 1361 O ALA A 88 -6.026 13.212 2.360 1.00 0.00 O ATOM 1362 CB ALA A 88 -3.490 13.391 0.539 1.00 0.00 C ATOM 0 H ALA A 88 -3.099 11.042 0.181 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.570 12.558 2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.868 14.372 0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.401 13.416 0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.876 13.127 -0.446 1.00 0.00 H new ATOM 1368 N GLU A 89 -6.172 11.530 0.872 1.00 0.00 N ATOM 1369 CA GLU A 89 -7.609 11.602 0.642 1.00 0.00 C ATOM 1370 C GLU A 89 -8.395 11.173 1.881 1.00 0.00 C ATOM 1371 O GLU A 89 -8.662 9.991 2.072 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.983 10.712 -0.560 1.00 0.00 C ATOM 1373 CG GLU A 89 -7.637 11.349 -1.913 1.00 0.00 C ATOM 1374 CD GLU A 89 -8.792 12.226 -2.405 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -9.705 11.715 -3.095 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.800 13.430 -2.048 1.00 0.00 O ATOM 0 H GLU A 89 -5.730 10.753 0.381 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.871 12.638 0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.465 9.757 -0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.052 10.499 -0.528 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.732 11.949 -1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.427 10.569 -2.645 1.00 0.00 H new ATOM 1383 N ALA A 90 -8.871 12.123 2.687 1.00 0.00 N ATOM 1384 CA ALA A 90 -9.909 11.849 3.684 1.00 0.00 C ATOM 1385 C ALA A 90 -11.294 11.721 3.028 1.00 0.00 C ATOM 1386 O ALA A 90 -12.318 12.015 3.651 1.00 0.00 O ATOM 1387 CB ALA A 90 -9.928 12.951 4.737 1.00 0.00 C ATOM 0 H ALA A 90 -8.554 13.092 2.669 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.674 10.898 4.163 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.703 12.738 5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.959 12.997 5.233 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.136 13.908 4.258 1.00 0.00 H new ATOM 1393 N LYS A 91 -11.359 11.396 1.734 1.00 0.00 N ATOM 1394 CA LYS A 91 -12.602 11.357 0.990 1.00 0.00 C ATOM 1395 C LYS A 91 -13.399 10.157 1.479 1.00 0.00 C ATOM 1396 O LYS A 91 -13.099 9.024 1.107 1.00 0.00 O ATOM 1397 CB LYS A 91 -12.331 11.316 -0.518 1.00 0.00 C ATOM 1398 CG LYS A 91 -13.598 11.565 -1.360 1.00 0.00 C ATOM 1399 CD LYS A 91 -13.727 13.020 -1.839 1.00 0.00 C ATOM 1400 CE LYS A 91 -13.632 14.044 -0.697 1.00 0.00 C ATOM 1401 NZ LYS A 91 -13.630 15.433 -1.186 1.00 0.00 N ATOM 0 H LYS A 91 -10.540 11.152 1.177 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.187 12.261 1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.581 12.066 -0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -11.911 10.345 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.587 10.903 -2.226 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.476 11.304 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.944 13.226 -2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.681 13.144 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.471 13.903 -0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.722 13.862 -0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.565 16.085 -0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.815 15.578 -1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.509 15.618 -1.710 1.00 0.00 H new ATOM 1415 N LYS A 92 -14.427 10.423 2.286 1.00 0.00 N ATOM 1416 CA LYS A 92 -15.431 9.462 2.732 1.00 0.00 C ATOM 1417 C LYS A 92 -15.701 8.389 1.681 1.00 0.00 C ATOM 1418 O LYS A 92 -15.402 7.229 1.911 1.00 0.00 O ATOM 1419 CB LYS A 92 -16.736 10.185 3.129 1.00 0.00 C ATOM 1420 CG LYS A 92 -17.127 11.336 2.173 1.00 0.00 C ATOM 1421 CD LYS A 92 -18.608 11.377 1.807 1.00 0.00 C ATOM 1422 CE LYS A 92 -19.487 11.919 2.932 1.00 0.00 C ATOM 1423 NZ LYS A 92 -20.839 12.195 2.418 1.00 0.00 N ATOM 0 H LYS A 92 -14.588 11.357 2.662 1.00 0.00 H new ATOM 0 HA LYS A 92 -15.032 8.957 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -17.548 9.459 3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -16.627 10.584 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -16.853 12.284 2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -16.542 11.247 1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -18.740 11.996 0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -18.940 10.372 1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -19.538 11.197 3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -19.050 12.830 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -21.434 12.564 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -20.783 12.900 1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -21.256 11.317 2.048 1.00 0.00 H new ATOM 1437 N GLU A 93 -16.254 8.743 0.525 1.00 0.00 N ATOM 1438 CA GLU A 93 -16.689 7.741 -0.440 1.00 0.00 C ATOM 1439 C GLU A 93 -15.531 6.905 -0.987 1.00 0.00 C ATOM 1440 O GLU A 93 -15.744 5.727 -1.255 1.00 0.00 O ATOM 1441 CB GLU A 93 -17.466 8.423 -1.569 1.00 0.00 C ATOM 1442 CG GLU A 93 -18.930 8.613 -1.152 1.00 0.00 C ATOM 1443 CD GLU A 93 -19.600 9.782 -1.868 1.00 0.00 C ATOM 1444 OE1 GLU A 93 -19.562 9.852 -3.120 1.00 0.00 O ATOM 1445 OE2 GLU A 93 -20.181 10.641 -1.168 1.00 0.00 O ATOM 0 H GLU A 93 -16.410 9.709 0.236 1.00 0.00 H new ATOM 0 HA GLU A 93 -17.344 7.040 0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -17.016 9.388 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -17.412 7.820 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.485 7.698 -1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -18.978 8.776 -0.075 1.00 0.00 H new ATOM 1452 N ASN A 94 -14.308 7.447 -1.065 1.00 0.00 N ATOM 1453 CA ASN A 94 -13.134 6.641 -1.400 1.00 0.00 C ATOM 1454 C ASN A 94 -12.925 5.576 -0.325 1.00 0.00 C ATOM 1455 O ASN A 94 -12.656 4.417 -0.637 1.00 0.00 O ATOM 1456 CB ASN A 94 -11.818 7.431 -1.442 1.00 0.00 C ATOM 1457 CG ASN A 94 -11.619 8.493 -2.504 1.00 0.00 C ATOM 1458 OD1 ASN A 94 -12.478 8.785 -3.335 1.00 0.00 O ATOM 1459 ND2 ASN A 94 -10.465 9.134 -2.425 1.00 0.00 N ATOM 0 H ASN A 94 -14.110 8.434 -0.901 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.343 6.238 -2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.695 7.912 -0.472 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.007 6.710 -1.545 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.262 9.900 -3.067 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.778 8.862 -1.722 1.00 0.00 H new ATOM 1466 N ILE A 95 -13.005 5.986 0.947 1.00 0.00 N ATOM 1467 CA ILE A 95 -12.718 5.139 2.098 1.00 0.00 C ATOM 1468 C ILE A 95 -13.758 4.009 2.078 1.00 0.00 C ATOM 1469 O ILE A 95 -13.384 2.841 2.228 1.00 0.00 O ATOM 1470 CB ILE A 95 -12.790 5.990 3.396 1.00 0.00 C ATOM 1471 CG1 ILE A 95 -11.504 6.829 3.558 1.00 0.00 C ATOM 1472 CG2 ILE A 95 -12.911 5.063 4.628 1.00 0.00 C ATOM 1473 CD1 ILE A 95 -11.727 8.165 4.282 1.00 0.00 C ATOM 0 H ILE A 95 -13.277 6.935 1.204 1.00 0.00 H new ATOM 0 HA ILE A 95 -11.716 4.711 2.062 1.00 0.00 H new ATOM 0 HB ILE A 95 -13.659 6.645 3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.767 6.245 4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.082 7.026 2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.961 5.667 5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.816 4.461 4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.042 4.407 4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.780 8.700 4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.440 8.769 3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -12.119 7.976 5.281 1.00 0.00 H new ATOM 1485 N ILE A 96 -15.044 4.343 1.875 1.00 0.00 N ATOM 1486 CA ILE A 96 -16.120 3.367 1.725 1.00 0.00 C ATOM 1487 C ILE A 96 -15.760 2.438 0.573 1.00 0.00 C ATOM 1488 O ILE A 96 -15.716 1.233 0.785 1.00 0.00 O ATOM 1489 CB ILE A 96 -17.513 4.026 1.526 1.00 0.00 C ATOM 1490 CG1 ILE A 96 -18.124 4.521 2.859 1.00 0.00 C ATOM 1491 CG2 ILE A 96 -18.537 3.052 0.911 1.00 0.00 C ATOM 1492 CD1 ILE A 96 -17.656 5.912 3.263 1.00 0.00 C ATOM 0 H ILE A 96 -15.362 5.310 1.811 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.211 2.797 2.649 1.00 0.00 H new ATOM 0 HB ILE A 96 -17.328 4.864 0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -19.211 4.523 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -17.868 3.816 3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.495 3.559 0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.180 2.716 -0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -18.661 2.192 1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -18.124 6.194 4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -16.573 5.911 3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -17.936 6.629 2.491 1.00 0.00 H new ATOM 1504 N ALA A 97 -15.526 2.964 -0.631 1.00 0.00 N ATOM 1505 CA ALA A 97 -15.328 2.162 -1.828 1.00 0.00 C ATOM 1506 C ALA A 97 -14.176 1.170 -1.646 1.00 0.00 C ATOM 1507 O ALA A 97 -14.292 0.017 -2.064 1.00 0.00 O ATOM 1508 CB ALA A 97 -15.095 3.090 -3.020 1.00 0.00 C ATOM 0 H ALA A 97 -15.469 3.969 -0.798 1.00 0.00 H new ATOM 0 HA ALA A 97 -16.222 1.568 -2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -14.946 2.495 -3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -15.962 3.737 -3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -14.211 3.701 -2.838 1.00 0.00 H new ATOM 1514 N ALA A 98 -13.090 1.594 -0.999 1.00 0.00 N ATOM 1515 CA ALA A 98 -11.942 0.761 -0.680 1.00 0.00 C ATOM 1516 C ALA A 98 -12.332 -0.323 0.312 1.00 0.00 C ATOM 1517 O ALA A 98 -12.066 -1.500 0.069 1.00 0.00 O ATOM 1518 CB ALA A 98 -10.836 1.635 -0.108 1.00 0.00 C ATOM 0 H ALA A 98 -12.987 2.556 -0.675 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.584 0.274 -1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.972 1.016 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.550 2.387 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.193 2.128 0.796 1.00 0.00 H new ATOM 1524 N ALA A 99 -12.956 0.058 1.432 1.00 0.00 N ATOM 1525 CA ALA A 99 -13.427 -0.897 2.423 1.00 0.00 C ATOM 1526 C ALA A 99 -14.360 -1.924 1.771 1.00 0.00 C ATOM 1527 O ALA A 99 -14.247 -3.115 2.046 1.00 0.00 O ATOM 1528 CB ALA A 99 -14.114 -0.134 3.564 1.00 0.00 C ATOM 0 H ALA A 99 -13.145 1.032 1.670 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.587 -1.452 2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -14.471 -0.842 4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -13.402 0.552 4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -14.958 0.431 3.168 1.00 0.00 H new ATOM 1534 N GLN A 100 -15.251 -1.475 0.887 1.00 0.00 N ATOM 1535 CA GLN A 100 -16.185 -2.288 0.125 1.00 0.00 C ATOM 1536 C GLN A 100 -15.452 -3.260 -0.797 1.00 0.00 C ATOM 1537 O GLN A 100 -15.750 -4.455 -0.772 1.00 0.00 O ATOM 1538 CB GLN A 100 -17.127 -1.372 -0.683 1.00 0.00 C ATOM 1539 CG GLN A 100 -18.244 -0.731 0.155 1.00 0.00 C ATOM 1540 CD GLN A 100 -19.141 -1.765 0.832 1.00 0.00 C ATOM 1541 OE1 GLN A 100 -19.214 -2.924 0.421 1.00 0.00 O ATOM 1542 NE2 GLN A 100 -19.822 -1.375 1.893 1.00 0.00 N ATOM 0 H GLN A 100 -15.341 -0.481 0.676 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.775 -2.884 0.821 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.538 -0.582 -1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -17.578 -1.951 -1.489 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.799 -0.089 0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -18.852 -0.092 -0.486 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.750 -0.411 2.220 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -20.421 -2.037 2.387 1.00 0.00 H new ATOM 1551 N ALA A 101 -14.502 -2.769 -1.599 1.00 0.00 N ATOM 1552 CA ALA A 101 -13.699 -3.571 -2.515 1.00 0.00 C ATOM 1553 C ALA A 101 -12.757 -4.544 -1.789 1.00 0.00 C ATOM 1554 O ALA A 101 -12.231 -5.454 -2.429 1.00 0.00 O ATOM 1555 CB ALA A 101 -12.904 -2.629 -3.425 1.00 0.00 C ATOM 0 H ALA A 101 -14.268 -1.777 -1.626 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.376 -4.190 -3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.298 -3.216 -4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -13.593 -2.001 -3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -12.254 -1.999 -2.818 1.00 0.00 H new ATOM 1561 N GLY A 102 -12.558 -4.382 -0.477 1.00 0.00 N ATOM 1562 CA GLY A 102 -11.751 -5.277 0.336 1.00 0.00 C ATOM 1563 C GLY A 102 -10.300 -4.819 0.437 1.00 0.00 C ATOM 1564 O GLY A 102 -9.411 -5.664 0.563 1.00 0.00 O ATOM 0 H GLY A 102 -12.963 -3.610 0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -12.180 -5.341 1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.784 -6.280 -0.090 1.00 0.00 H new ATOM 1568 N ALA A 103 -10.029 -3.507 0.386 1.00 0.00 N ATOM 1569 CA ALA A 103 -8.672 -2.999 0.572 1.00 0.00 C ATOM 1570 C ALA A 103 -8.199 -3.407 1.963 1.00 0.00 C ATOM 1571 O ALA A 103 -8.997 -3.440 2.904 1.00 0.00 O ATOM 1572 CB ALA A 103 -8.585 -1.474 0.388 1.00 0.00 C ATOM 0 H ALA A 103 -10.731 -2.786 0.218 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.026 -3.431 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.556 -1.148 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.907 -1.210 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.230 -0.982 1.116 1.00 0.00 H new ATOM 1578 N SER A 104 -6.906 -3.674 2.123 1.00 0.00 N ATOM 1579 CA SER A 104 -6.385 -4.174 3.388 1.00 0.00 C ATOM 1580 C SER A 104 -6.400 -3.117 4.502 1.00 0.00 C ATOM 1581 O SER A 104 -6.164 -3.461 5.664 1.00 0.00 O ATOM 1582 CB SER A 104 -5.003 -4.789 3.180 1.00 0.00 C ATOM 1583 OG SER A 104 -4.033 -3.855 2.751 1.00 0.00 O ATOM 0 H SER A 104 -6.203 -3.552 1.394 1.00 0.00 H new ATOM 0 HA SER A 104 -7.056 -4.959 3.737 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.671 -5.244 4.113 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.077 -5.590 2.444 1.00 0.00 H new ATOM 0 HG SER A 104 -4.453 -3.196 2.159 1.00 0.00 H new ATOM 1589 N GLY A 105 -6.704 -1.856 4.188 1.00 0.00 N ATOM 1590 CA GLY A 105 -6.871 -0.785 5.155 1.00 0.00 C ATOM 1591 C GLY A 105 -6.775 0.559 4.446 1.00 0.00 C ATOM 1592 O GLY A 105 -6.314 0.621 3.299 1.00 0.00 O ATOM 0 H GLY A 105 -6.843 -1.550 3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.836 -0.877 5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.106 -0.856 5.928 1.00 0.00 H new ATOM 1596 N TYR A 106 -7.194 1.622 5.135 1.00 0.00 N ATOM 1597 CA TYR A 106 -7.252 2.971 4.596 1.00 0.00 C ATOM 1598 C TYR A 106 -6.804 3.966 5.653 1.00 0.00 C ATOM 1599 O TYR A 106 -7.608 4.528 6.401 1.00 0.00 O ATOM 1600 CB TYR A 106 -8.654 3.261 4.049 1.00 0.00 C ATOM 1601 CG TYR A 106 -8.689 4.310 2.957 1.00 0.00 C ATOM 1602 CD1 TYR A 106 -8.362 5.657 3.201 1.00 0.00 C ATOM 1603 CD2 TYR A 106 -9.083 3.921 1.670 1.00 0.00 C ATOM 1604 CE1 TYR A 106 -8.480 6.604 2.165 1.00 0.00 C ATOM 1605 CE2 TYR A 106 -9.213 4.858 0.635 1.00 0.00 C ATOM 1606 CZ TYR A 106 -8.898 6.210 0.876 1.00 0.00 C ATOM 1607 OH TYR A 106 -8.981 7.119 -0.134 1.00 0.00 O ATOM 0 H TYR A 106 -7.508 1.562 6.104 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.565 3.070 3.756 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.080 2.335 3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.292 3.586 4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.022 5.963 4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.290 2.880 1.471 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.249 7.641 2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.553 4.545 -0.341 1.00 0.00 H new ATOM 0 HH TYR A 106 -8.955 6.653 -0.996 1.00 0.00 H new ATOM 1617 N VAL A 107 -5.498 4.175 5.740 1.00 0.00 N ATOM 1618 CA VAL A 107 -4.919 5.249 6.524 1.00 0.00 C ATOM 1619 C VAL A 107 -4.913 6.499 5.646 1.00 0.00 C ATOM 1620 O VAL A 107 -4.642 6.435 4.445 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.554 4.777 7.047 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -2.628 5.920 7.460 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -3.809 3.887 8.275 1.00 0.00 C ATOM 0 H VAL A 107 -4.807 3.597 5.263 1.00 0.00 H new ATOM 0 HA VAL A 107 -5.487 5.513 7.416 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.055 4.246 6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.683 5.511 7.819 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.442 6.565 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.098 6.500 8.255 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.857 3.534 8.672 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.330 4.463 9.040 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.420 3.033 7.985 1.00 0.00 H new ATOM 1633 N VAL A 108 -5.201 7.638 6.261 1.00 0.00 N ATOM 1634 CA VAL A 108 -5.088 8.950 5.657 1.00 0.00 C ATOM 1635 C VAL A 108 -4.015 9.687 6.457 1.00 0.00 C ATOM 1636 O VAL A 108 -3.757 9.336 7.607 1.00 0.00 O ATOM 1637 CB VAL A 108 -6.443 9.692 5.692 1.00 0.00 C ATOM 1638 CG1 VAL A 108 -6.436 10.887 4.729 1.00 0.00 C ATOM 1639 CG2 VAL A 108 -7.623 8.791 5.296 1.00 0.00 C ATOM 0 H VAL A 108 -5.530 7.670 7.226 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.812 8.888 4.604 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.572 10.019 6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.400 11.394 4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.648 11.582 5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.255 10.535 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.549 9.365 5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.473 8.419 4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.686 7.949 5.986 1.00 0.00 H new ATOM 1649 N LYS A 109 -3.385 10.706 5.879 1.00 0.00 N ATOM 1650 CA LYS A 109 -2.682 11.753 6.613 1.00 0.00 C ATOM 1651 C LYS A 109 -3.681 12.386 7.593 1.00 0.00 C ATOM 1652 O LYS A 109 -4.804 12.663 7.162 1.00 0.00 O ATOM 1653 CB LYS A 109 -2.152 12.745 5.559 1.00 0.00 C ATOM 1654 CG LYS A 109 -1.439 13.976 6.125 1.00 0.00 C ATOM 1655 CD LYS A 109 -0.079 13.698 6.763 1.00 0.00 C ATOM 1656 CE LYS A 109 1.068 13.659 5.758 1.00 0.00 C ATOM 1657 NZ LYS A 109 2.345 13.721 6.487 1.00 0.00 N ATOM 0 H LYS A 109 -3.348 10.829 4.867 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.838 11.391 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.463 12.217 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.988 13.079 4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.305 14.701 5.322 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.085 14.441 6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.128 14.466 7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.122 12.745 7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.017 12.747 5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.989 14.496 5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.133 13.695 5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.389 14.603 7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.416 12.908 7.132 1.00 0.00 H new ATOM 1671 N PRO A 110 -3.325 12.680 8.859 1.00 0.00 N ATOM 1672 CA PRO A 110 -2.076 12.362 9.549 1.00 0.00 C ATOM 1673 C PRO A 110 -1.994 10.886 9.954 1.00 0.00 C ATOM 1674 O PRO A 110 -3.018 10.237 10.155 1.00 0.00 O ATOM 1675 CB PRO A 110 -2.088 13.254 10.792 1.00 0.00 C ATOM 1676 CG PRO A 110 -3.565 13.374 11.136 1.00 0.00 C ATOM 1677 CD PRO A 110 -4.234 13.361 9.765 1.00 0.00 C ATOM 0 HA PRO A 110 -1.214 12.535 8.905 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.521 12.809 11.610 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -1.644 14.229 10.590 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.904 12.546 11.759 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.780 14.293 11.682 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.194 12.846 9.808 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.432 14.377 9.422 1.00 0.00 H new ATOM 1685 N PHE A 111 -0.777 10.387 10.197 1.00 0.00 N ATOM 1686 CA PHE A 111 -0.506 8.980 10.472 1.00 0.00 C ATOM 1687 C PHE A 111 0.980 8.783 10.756 1.00 0.00 C ATOM 1688 O PHE A 111 1.820 9.565 10.296 1.00 0.00 O ATOM 1689 CB PHE A 111 -0.874 8.086 9.268 1.00 0.00 C ATOM 1690 CG PHE A 111 0.027 8.109 8.037 1.00 0.00 C ATOM 1691 CD1 PHE A 111 1.208 7.342 7.991 1.00 0.00 C ATOM 1692 CD2 PHE A 111 -0.365 8.819 6.891 1.00 0.00 C ATOM 1693 CE1 PHE A 111 2.008 7.342 6.834 1.00 0.00 C ATOM 1694 CE2 PHE A 111 0.434 8.830 5.735 1.00 0.00 C ATOM 1695 CZ PHE A 111 1.636 8.102 5.714 1.00 0.00 C ATOM 0 H PHE A 111 0.062 10.966 10.207 1.00 0.00 H new ATOM 0 HA PHE A 111 -1.112 8.698 11.333 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.923 7.057 9.623 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.879 8.360 8.947 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.500 6.752 8.847 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.296 9.366 6.898 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.913 6.754 6.807 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.126 9.395 4.867 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.270 8.127 4.840 1.00 0.00 H new ATOM 1705 N THR A 112 1.303 7.727 11.499 1.00 0.00 N ATOM 1706 CA THR A 112 2.625 7.496 12.086 1.00 0.00 C ATOM 1707 C THR A 112 2.936 6.005 12.234 1.00 0.00 C ATOM 1708 O THR A 112 2.179 5.151 11.753 1.00 0.00 O ATOM 1709 CB THR A 112 2.721 8.266 13.421 1.00 0.00 C ATOM 1710 OG1 THR A 112 1.492 8.210 14.130 1.00 0.00 O ATOM 1711 CG2 THR A 112 3.175 9.702 13.198 1.00 0.00 C ATOM 0 H THR A 112 0.636 6.987 11.717 1.00 0.00 H new ATOM 0 HA THR A 112 3.391 7.878 11.412 1.00 0.00 H new ATOM 0 HB THR A 112 3.478 7.779 14.036 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.578 8.703 14.973 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.233 10.218 14.156 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.157 9.704 12.725 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.461 10.213 12.553 1.00 0.00 H new ATOM 1719 N ALA A 113 4.069 5.676 12.874 1.00 0.00 N ATOM 1720 CA ALA A 113 4.447 4.304 13.196 1.00 0.00 C ATOM 1721 C ALA A 113 3.307 3.648 13.969 1.00 0.00 C ATOM 1722 O ALA A 113 2.973 2.509 13.673 1.00 0.00 O ATOM 1723 CB ALA A 113 5.772 4.253 13.971 1.00 0.00 C ATOM 0 H ALA A 113 4.752 6.368 13.183 1.00 0.00 H new ATOM 0 HA ALA A 113 4.614 3.748 12.274 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.023 3.216 14.194 1.00 0.00 H new ATOM 0 HB2 ALA A 113 6.564 4.696 13.367 1.00 0.00 H new ATOM 0 HB3 ALA A 113 5.671 4.810 14.902 1.00 0.00 H new ATOM 1729 N ALA A 114 2.624 4.423 14.818 1.00 0.00 N ATOM 1730 CA ALA A 114 1.430 4.060 15.570 1.00 0.00 C ATOM 1731 C ALA A 114 0.339 3.367 14.757 1.00 0.00 C ATOM 1732 O ALA A 114 -0.395 2.550 15.314 1.00 0.00 O ATOM 1733 CB ALA A 114 0.859 5.348 16.159 1.00 0.00 C ATOM 0 H ALA A 114 2.914 5.383 15.007 1.00 0.00 H new ATOM 0 HA ALA A 114 1.736 3.334 16.323 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.040 5.119 16.732 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.599 5.808 16.814 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.609 6.037 15.353 1.00 0.00 H new ATOM 1739 N THR A 115 0.221 3.679 13.466 1.00 0.00 N ATOM 1740 CA THR A 115 -0.729 3.029 12.579 1.00 0.00 C ATOM 1741 C THR A 115 -0.007 2.159 11.547 1.00 0.00 C ATOM 1742 O THR A 115 -0.624 1.268 10.975 1.00 0.00 O ATOM 1743 CB THR A 115 -1.672 4.083 11.977 1.00 0.00 C ATOM 1744 OG1 THR A 115 -2.918 3.512 11.660 1.00 0.00 O ATOM 1745 CG2 THR A 115 -1.170 4.732 10.696 1.00 0.00 C ATOM 0 H THR A 115 0.787 4.394 13.009 1.00 0.00 H new ATOM 0 HA THR A 115 -1.357 2.336 13.138 1.00 0.00 H new ATOM 0 HB THR A 115 -1.738 4.846 12.752 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.505 4.198 11.280 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.901 5.461 10.347 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.222 5.234 10.890 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.027 3.967 9.933 1.00 0.00 H new ATOM 1753 N LEU A 116 1.289 2.372 11.284 1.00 0.00 N ATOM 1754 CA LEU A 116 2.083 1.413 10.520 1.00 0.00 C ATOM 1755 C LEU A 116 1.978 0.048 11.208 1.00 0.00 C ATOM 1756 O LEU A 116 1.507 -0.903 10.588 1.00 0.00 O ATOM 1757 CB LEU A 116 3.533 1.909 10.365 1.00 0.00 C ATOM 1758 CG LEU A 116 4.336 1.303 9.198 1.00 0.00 C ATOM 1759 CD1 LEU A 116 4.385 -0.218 9.225 1.00 0.00 C ATOM 1760 CD2 LEU A 116 3.821 1.786 7.831 1.00 0.00 C ATOM 0 H LEU A 116 1.804 3.198 11.589 1.00 0.00 H new ATOM 0 HA LEU A 116 1.699 1.311 9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.514 2.992 10.242 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.067 1.703 11.293 1.00 0.00 H new ATOM 0 HG LEU A 116 5.355 1.664 9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.966 -0.578 8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.853 -0.551 10.152 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.372 -0.616 9.167 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.416 1.334 7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.777 1.496 7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.904 2.871 7.773 1.00 0.00 H new ATOM 1772 N GLU A 117 2.328 -0.016 12.493 1.00 0.00 N ATOM 1773 CA GLU A 117 2.261 -1.215 13.316 1.00 0.00 C ATOM 1774 C GLU A 117 0.855 -1.813 13.329 1.00 0.00 C ATOM 1775 O GLU A 117 0.695 -3.017 13.147 1.00 0.00 O ATOM 1776 CB GLU A 117 2.773 -0.911 14.733 1.00 0.00 C ATOM 1777 CG GLU A 117 2.065 0.218 15.496 1.00 0.00 C ATOM 1778 CD GLU A 117 1.535 -0.232 16.852 1.00 0.00 C ATOM 1779 OE1 GLU A 117 0.661 -1.126 16.895 1.00 0.00 O ATOM 1780 OE2 GLU A 117 2.023 0.292 17.883 1.00 0.00 O ATOM 0 H GLU A 117 2.677 0.795 13.003 1.00 0.00 H new ATOM 0 HA GLU A 117 2.911 -1.972 12.877 1.00 0.00 H new ATOM 0 HB2 GLU A 117 2.695 -1.823 15.325 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.832 -0.664 14.666 1.00 0.00 H new ATOM 0 HG2 GLU A 117 2.759 1.046 15.638 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.238 0.595 14.894 1.00 0.00 H new ATOM 1787 N GLU A 118 -0.183 -0.989 13.490 1.00 0.00 N ATOM 1788 CA GLU A 118 -1.533 -1.512 13.564 1.00 0.00 C ATOM 1789 C GLU A 118 -1.984 -2.052 12.200 1.00 0.00 C ATOM 1790 O GLU A 118 -2.647 -3.089 12.144 1.00 0.00 O ATOM 1791 CB GLU A 118 -2.493 -0.453 14.117 1.00 0.00 C ATOM 1792 CG GLU A 118 -3.862 -1.108 14.319 1.00 0.00 C ATOM 1793 CD GLU A 118 -4.895 -0.174 14.924 1.00 0.00 C ATOM 1794 OE1 GLU A 118 -5.021 -0.116 16.166 1.00 0.00 O ATOM 1795 OE2 GLU A 118 -5.692 0.396 14.147 1.00 0.00 O ATOM 0 H GLU A 118 -0.109 0.025 13.570 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.546 -2.352 14.259 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.119 -0.056 15.061 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -2.571 0.387 13.427 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.229 -1.470 13.358 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.748 -1.979 14.965 1.00 0.00 H new ATOM 1802 N LYS A 119 -1.633 -1.394 11.089 1.00 0.00 N ATOM 1803 CA LYS A 119 -1.914 -1.917 9.752 1.00 0.00 C ATOM 1804 C LYS A 119 -1.188 -3.250 9.539 1.00 0.00 C ATOM 1805 O LYS A 119 -1.767 -4.158 8.932 1.00 0.00 O ATOM 1806 CB LYS A 119 -1.496 -0.932 8.660 1.00 0.00 C ATOM 1807 CG LYS A 119 -2.377 0.318 8.480 1.00 0.00 C ATOM 1808 CD LYS A 119 -1.782 1.232 7.395 1.00 0.00 C ATOM 1809 CE LYS A 119 -0.586 2.009 7.943 1.00 0.00 C ATOM 1810 NZ LYS A 119 -0.242 3.182 7.109 1.00 0.00 N ATOM 0 H LYS A 119 -1.152 -0.495 11.093 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.991 -2.069 9.682 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -0.478 -0.603 8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.468 -1.468 7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.389 0.022 8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.450 0.860 9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.472 0.634 6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.543 1.927 7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.806 2.341 8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.277 1.346 8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.366 3.828 7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.263 2.866 6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.113 3.678 6.831 1.00 0.00 H new ATOM 1824 N LEU A 120 0.055 -3.380 10.028 1.00 0.00 N ATOM 1825 CA LEU A 120 0.759 -4.656 10.013 1.00 0.00 C ATOM 1826 C LEU A 120 -0.063 -5.669 10.802 1.00 0.00 C ATOM 1827 O LEU A 120 -0.382 -6.710 10.244 1.00 0.00 O ATOM 1828 CB LEU A 120 2.209 -4.583 10.533 1.00 0.00 C ATOM 1829 CG LEU A 120 3.204 -3.787 9.667 1.00 0.00 C ATOM 1830 CD1 LEU A 120 4.598 -3.845 10.302 1.00 0.00 C ATOM 1831 CD2 LEU A 120 3.297 -4.290 8.220 1.00 0.00 C ATOM 0 H LEU A 120 0.587 -2.612 10.437 1.00 0.00 H new ATOM 0 HA LEU A 120 0.858 -4.967 8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.194 -4.142 11.530 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.586 -5.600 10.640 1.00 0.00 H new ATOM 0 HG LEU A 120 2.828 -2.765 9.628 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.301 -3.282 9.688 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.561 -3.412 11.302 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.925 -4.883 10.368 1.00 0.00 H new ATOM 0 HD21 LEU A 120 4.016 -3.683 7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.622 -5.330 8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.319 -4.214 7.745 1.00 0.00 H new ATOM 1843 N ASN A 121 -0.486 -5.374 12.036 1.00 0.00 N ATOM 1844 CA ASN A 121 -1.295 -6.315 12.820 1.00 0.00 C ATOM 1845 C ASN A 121 -2.592 -6.707 12.103 1.00 0.00 C ATOM 1846 O ASN A 121 -3.003 -7.871 12.157 1.00 0.00 O ATOM 1847 CB ASN A 121 -1.608 -5.774 14.219 1.00 0.00 C ATOM 1848 CG ASN A 121 -2.309 -6.849 15.047 1.00 0.00 C ATOM 1849 OD1 ASN A 121 -1.799 -7.960 15.182 1.00 0.00 O ATOM 1850 ND2 ASN A 121 -3.475 -6.571 15.608 1.00 0.00 N ATOM 0 H ASN A 121 -0.283 -4.495 12.512 1.00 0.00 H new ATOM 0 HA ASN A 121 -0.688 -7.214 12.928 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -0.687 -5.465 14.713 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -2.241 -4.890 14.143 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -3.959 -7.281 16.158 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -3.890 -5.647 15.490 1.00 0.00 H new ATOM 1857 N LYS A 122 -3.202 -5.751 11.389 1.00 0.00 N ATOM 1858 CA LYS A 122 -4.312 -5.966 10.465 1.00 0.00 C ATOM 1859 C LYS A 122 -3.958 -7.129 9.553 1.00 0.00 C ATOM 1860 O LYS A 122 -4.551 -8.194 9.665 1.00 0.00 O ATOM 1861 CB LYS A 122 -4.648 -4.684 9.674 1.00 0.00 C ATOM 1862 CG LYS A 122 -6.119 -4.266 9.726 1.00 0.00 C ATOM 1863 CD LYS A 122 -6.510 -3.571 11.034 1.00 0.00 C ATOM 1864 CE LYS A 122 -5.750 -2.254 11.268 1.00 0.00 C ATOM 1865 NZ LYS A 122 -6.502 -1.400 12.210 1.00 0.00 N ATOM 0 H LYS A 122 -2.922 -4.772 11.445 1.00 0.00 H new ATOM 0 HA LYS A 122 -5.215 -6.214 11.024 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.038 -3.866 10.059 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.363 -4.831 8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.328 -3.597 8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.744 -5.149 9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.581 -3.369 11.025 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.320 -4.246 11.868 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.757 -2.463 11.666 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.611 -1.731 10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.883 -0.641 12.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.320 -0.982 11.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.833 -1.975 13.011 1.00 0.00 H new ATOM 1879 N ILE A 123 -2.997 -6.954 8.649 1.00 0.00 N ATOM 1880 CA ILE A 123 -2.736 -7.957 7.614 1.00 0.00 C ATOM 1881 C ILE A 123 -2.023 -9.210 8.142 1.00 0.00 C ATOM 1882 O ILE A 123 -2.150 -10.286 7.549 1.00 0.00 O ATOM 1883 CB ILE A 123 -2.057 -7.296 6.397 1.00 0.00 C ATOM 1884 CG1 ILE A 123 -0.772 -6.494 6.734 1.00 0.00 C ATOM 1885 CG2 ILE A 123 -3.155 -6.477 5.692 1.00 0.00 C ATOM 1886 CD1 ILE A 123 -0.653 -5.104 6.094 1.00 0.00 C ATOM 0 H ILE A 123 -2.390 -6.135 8.610 1.00 0.00 H new ATOM 0 HA ILE A 123 -3.693 -8.349 7.269 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.659 -8.056 5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.714 -6.379 7.816 1.00 0.00 H new ATOM 0 HG13 ILE A 123 0.091 -7.086 6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -2.734 -5.982 4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -3.961 -7.141 5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.548 -5.727 6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 123 0.284 -4.641 6.402 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -0.671 -5.201 5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.488 -4.482 6.417 1.00 0.00 H new ATOM 1898 N PHE A 124 -1.329 -9.110 9.272 1.00 0.00 N ATOM 1899 CA PHE A 124 -0.703 -10.233 9.946 1.00 0.00 C ATOM 1900 C PHE A 124 -1.772 -11.203 10.426 1.00 0.00 C ATOM 1901 O PHE A 124 -1.604 -12.401 10.229 1.00 0.00 O ATOM 1902 CB PHE A 124 0.138 -9.754 11.129 1.00 0.00 C ATOM 1903 CG PHE A 124 1.558 -9.283 10.835 1.00 0.00 C ATOM 1904 CD1 PHE A 124 1.899 -8.603 9.647 1.00 0.00 C ATOM 1905 CD2 PHE A 124 2.563 -9.527 11.791 1.00 0.00 C ATOM 1906 CE1 PHE A 124 3.217 -8.162 9.432 1.00 0.00 C ATOM 1907 CE2 PHE A 124 3.874 -9.066 11.588 1.00 0.00 C ATOM 1908 CZ PHE A 124 4.200 -8.374 10.412 1.00 0.00 C ATOM 0 H PHE A 124 -1.185 -8.222 9.753 1.00 0.00 H new ATOM 0 HA PHE A 124 -0.044 -10.740 9.241 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -0.395 -8.935 11.612 1.00 0.00 H new ATOM 0 HB3 PHE A 124 0.196 -10.567 11.852 1.00 0.00 H new ATOM 0 HD1 PHE A 124 1.143 -8.420 8.898 1.00 0.00 H new ATOM 0 HD2 PHE A 124 2.323 -10.075 12.690 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.474 -7.659 8.511 1.00 0.00 H new ATOM 0 HE2 PHE A 124 4.631 -9.244 12.337 1.00 0.00 H new ATOM 0 HZ PHE A 124 5.204 -8.005 10.261 1.00 0.00 H new ATOM 1918 N GLU A 125 -2.856 -10.728 11.046 1.00 0.00 N ATOM 1919 CA GLU A 125 -3.942 -11.624 11.433 1.00 0.00 C ATOM 1920 C GLU A 125 -4.862 -11.917 10.243 1.00 0.00 C ATOM 1921 O GLU A 125 -5.341 -13.038 10.096 1.00 0.00 O ATOM 1922 CB GLU A 125 -4.751 -10.993 12.571 1.00 0.00 C ATOM 1923 CG GLU A 125 -3.954 -10.839 13.876 1.00 0.00 C ATOM 1924 CD GLU A 125 -3.758 -12.180 14.589 1.00 0.00 C ATOM 1925 OE1 GLU A 125 -4.655 -12.587 15.371 1.00 0.00 O ATOM 1926 OE2 GLU A 125 -2.711 -12.835 14.401 1.00 0.00 O ATOM 0 H GLU A 125 -3.002 -9.747 11.286 1.00 0.00 H new ATOM 0 HA GLU A 125 -3.508 -12.565 11.770 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.106 -10.013 12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -5.632 -11.605 12.763 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -2.981 -10.399 13.657 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -4.474 -10.148 14.539 1.00 0.00 H new ATOM 1933 N LYS A 126 -5.145 -10.916 9.403 1.00 0.00 N ATOM 1934 CA LYS A 126 -6.154 -11.020 8.346 1.00 0.00 C ATOM 1935 C LYS A 126 -5.639 -11.958 7.262 1.00 0.00 C ATOM 1936 O LYS A 126 -6.150 -13.070 7.129 1.00 0.00 O ATOM 1937 CB LYS A 126 -6.539 -9.622 7.824 1.00 0.00 C ATOM 1938 CG LYS A 126 -7.841 -9.491 7.019 1.00 0.00 C ATOM 1939 CD LYS A 126 -8.103 -10.495 5.883 1.00 0.00 C ATOM 1940 CE LYS A 126 -8.782 -9.842 4.675 1.00 0.00 C ATOM 1941 NZ LYS A 126 -10.111 -9.281 4.993 1.00 0.00 N ATOM 0 H LYS A 126 -4.679 -10.009 9.438 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.076 -11.450 8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -6.606 -8.951 8.681 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -5.722 -9.261 7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -8.673 -9.558 7.720 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -7.866 -8.490 6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -7.159 -10.940 5.570 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -8.730 -11.306 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -8.141 -9.048 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -8.886 -10.581 3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -10.528 -8.868 4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -10.730 -10.036 5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -10.012 -8.543 5.719 1.00 0.00 H new ATOM 1955 N LEU A 127 -4.688 -11.498 6.442 1.00 0.00 N ATOM 1956 CA LEU A 127 -4.114 -12.295 5.367 1.00 0.00 C ATOM 1957 C LEU A 127 -3.407 -13.502 5.963 1.00 0.00 C ATOM 1958 O LEU A 127 -3.466 -14.583 5.388 1.00 0.00 O ATOM 1959 CB LEU A 127 -3.104 -11.485 4.528 1.00 0.00 C ATOM 1960 CG LEU A 127 -3.524 -10.051 4.172 1.00 0.00 C ATOM 1961 CD1 LEU A 127 -2.481 -9.403 3.263 1.00 0.00 C ATOM 1962 CD2 LEU A 127 -4.895 -9.973 3.504 1.00 0.00 C ATOM 0 H LEU A 127 -4.297 -10.558 6.510 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.926 -12.607 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.161 -11.442 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -2.913 -12.027 3.602 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.593 -9.511 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.792 -8.387 3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.519 -9.375 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -2.387 -9.984 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.131 -8.933 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -4.883 -10.551 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.651 -10.379 4.176 1.00 0.00 H new ATOM 1974 N GLY A 128 -2.750 -13.305 7.107 1.00 0.00 N ATOM 1975 CA GLY A 128 -1.764 -14.237 7.618 1.00 0.00 C ATOM 1976 C GLY A 128 -0.406 -13.791 7.105 1.00 0.00 C ATOM 1977 O GLY A 128 0.326 -14.605 6.544 1.00 0.00 O ATOM 0 H GLY A 128 -2.893 -12.489 7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -1.777 -14.250 8.708 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -1.986 -15.251 7.285 1.00 0.00 H new ATOM 1981 N MET A 129 -0.107 -12.484 7.162 1.00 0.00 N ATOM 1982 CA MET A 129 1.141 -11.965 6.604 1.00 0.00 C ATOM 1983 C MET A 129 2.350 -12.593 7.274 1.00 0.00 C ATOM 1984 O MET A 129 3.363 -12.799 6.571 1.00 0.00 O ATOM 1985 CB MET A 129 1.213 -10.429 6.633 1.00 0.00 C ATOM 1986 CG MET A 129 1.214 -9.899 5.202 1.00 0.00 C ATOM 1987 SD MET A 129 2.716 -10.348 4.288 1.00 0.00 S ATOM 1988 CE MET A 129 2.224 -9.850 2.624 1.00 0.00 C ATOM 1989 OXT MET A 129 2.313 -12.905 8.480 1.00 0.00 O ATOM 0 H MET A 129 -0.709 -11.777 7.585 1.00 0.00 H new ATOM 0 HA MET A 129 1.154 -12.252 5.553 1.00 0.00 H new ATOM 0 HB2 MET A 129 0.364 -10.024 7.183 1.00 0.00 H new ATOM 0 HB3 MET A 129 2.114 -10.105 7.154 1.00 0.00 H new ATOM 0 HG2 MET A 129 0.343 -10.288 4.675 1.00 0.00 H new ATOM 0 HG3 MET A 129 1.116 -8.814 5.221 1.00 0.00 H new ATOM 0 HE1 MET A 129 2.215 -10.723 1.971 1.00 0.00 H new ATOM 0 HE2 MET A 129 1.227 -9.410 2.656 1.00 0.00 H new ATOM 0 HE3 MET A 129 2.932 -9.116 2.239 1.00 0.00 H new TER 1999 MET A 129