USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1000 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 7 LYS NZ :NH3+ -124:sc= 0.975 (180deg=-0.688) USER MOD Set 1.2: A 32 ASN : amide:sc= 0.708 K(o=1.7,f=-7.8!) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.11) USER MOD Single : A 15 SER OG : rot -58:sc= 0.625 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -165:sc= -0.0801 (180deg=-0.573) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0868 K(o=-0.087,f=-1!) USER MOD Single : A 44 ASN : amide:sc= -0.0954 X(o=-0.095,f=-0.39) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.283) USER MOD Single : A 47 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.26) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.475 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= 0.556 F(o=-0.041,f=0.56) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -3.86! C(o=-3.9!,f=-8.6!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 74:sc= 0.766 USER MOD Single : A 78 MET CE :methyl -149:sc= -0.224 (180deg=-1.55!) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0357 USER MOD Single : A 85 MET CE :methyl -145:sc= -0.288 (180deg=-0.805) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 91 LYS NZ :NH3+ 155:sc= -0.28 (180deg=-1.11) USER MOD Single : A 92 LYS NZ :NH3+ 146:sc= -0.09 (180deg=-1.11) USER MOD Single : A 94 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.32) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -2.42 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 -100:sc= 0.247 USER MOD Single : A 119 LYS NZ :NH3+ -153:sc= -0.0216 (180deg=-0.295) USER MOD Single : A 121 ASN : amide:sc= -0.0616 X(o=-0.062,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.088 -0.934 7.503 1.00 0.00 N ATOM 2 CA ALA A 2 -12.724 -0.074 8.664 1.00 0.00 C ATOM 3 C ALA A 2 -13.263 1.339 8.434 1.00 0.00 C ATOM 4 O ALA A 2 -14.290 1.525 7.813 1.00 0.00 O ATOM 5 CB ALA A 2 -11.201 -0.021 8.802 1.00 0.00 C ATOM 0 HA ALA A 2 -13.157 -0.488 9.575 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.934 0.608 9.651 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.815 -1.028 8.961 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.767 0.395 7.892 1.00 0.00 H new ATOM 11 N ASP A 3 -12.576 2.336 8.922 1.00 0.00 N ATOM 12 CA ASP A 3 -13.055 3.733 8.720 1.00 0.00 C ATOM 13 C ASP A 3 -13.420 3.927 7.248 1.00 0.00 C ATOM 14 O ASP A 3 -12.624 3.689 6.368 1.00 0.00 O ATOM 15 CB ASP A 3 -11.944 4.712 9.103 1.00 0.00 C ATOM 16 CG ASP A 3 -12.559 5.962 9.737 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.376 5.806 10.630 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.204 7.050 9.318 1.00 0.00 O ATOM 0 H ASP A 3 -11.708 2.244 9.449 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.930 3.917 9.344 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.254 4.239 9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.366 4.986 8.220 1.00 0.00 H new ATOM 23 N LYS A 4 -14.617 4.355 6.970 1.00 0.00 N ATOM 24 CA LYS A 4 -15.020 4.553 5.548 1.00 0.00 C ATOM 25 C LYS A 4 -14.306 5.777 4.977 1.00 0.00 C ATOM 26 O LYS A 4 -14.812 6.444 4.096 1.00 0.00 O ATOM 27 CB LYS A 4 -16.531 4.770 5.468 1.00 0.00 C ATOM 28 CG LYS A 4 -17.252 3.477 5.855 1.00 0.00 C ATOM 29 CD LYS A 4 -18.756 3.628 5.606 1.00 0.00 C ATOM 30 CE LYS A 4 -19.410 2.247 5.596 1.00 0.00 C ATOM 31 NZ LYS A 4 -19.245 1.612 6.935 1.00 0.00 N ATOM 0 H LYS A 4 -15.333 4.576 7.661 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.746 3.669 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.829 5.579 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.814 5.069 4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.860 2.643 5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.069 3.248 6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.204 4.249 6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.930 4.132 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.468 2.335 5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.956 1.623 4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.880 0.792 7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.260 1.299 7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.480 2.301 7.677 1.00 0.00 H new ATOM 45 N GLU A 5 -13.137 6.083 5.467 1.00 0.00 N ATOM 46 CA GLU A 5 -12.408 7.266 4.942 1.00 0.00 C ATOM 47 C GLU A 5 -10.918 7.146 5.264 1.00 0.00 C ATOM 48 O GLU A 5 -10.243 8.136 5.468 1.00 0.00 O ATOM 49 CB GLU A 5 -12.968 8.536 5.586 1.00 0.00 C ATOM 50 CG GLU A 5 -12.504 9.760 4.793 1.00 0.00 C ATOM 51 CD GLU A 5 -13.652 10.268 3.918 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.735 10.454 4.447 1.00 0.00 O ATOM 53 OE2 GLU A 5 -13.430 10.460 2.734 1.00 0.00 O ATOM 0 H GLU A 5 -12.658 5.566 6.205 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.537 7.315 3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.057 8.495 5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.631 8.611 6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.177 10.545 5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.647 9.500 4.172 1.00 0.00 H new ATOM 60 N LEU A 6 -10.385 5.953 5.294 1.00 0.00 N ATOM 61 CA LEU A 6 -8.940 5.816 5.582 1.00 0.00 C ATOM 62 C LEU A 6 -8.184 6.364 4.370 1.00 0.00 C ATOM 63 O LEU A 6 -8.556 6.117 3.244 1.00 0.00 O ATOM 64 CB LEU A 6 -8.619 4.338 5.835 1.00 0.00 C ATOM 65 CG LEU A 6 -7.146 4.149 6.218 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.832 4.909 7.506 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.885 2.661 6.441 1.00 0.00 C ATOM 0 H LEU A 6 -10.887 5.080 5.133 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.644 6.372 6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.257 3.956 6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.843 3.756 4.941 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.513 4.532 5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.783 4.766 7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.028 5.971 7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.461 4.533 8.313 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.840 2.512 6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.526 2.295 7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.102 2.112 5.525 1.00 0.00 H new ATOM 79 N LYS A 7 -7.166 7.152 4.581 1.00 0.00 N ATOM 80 CA LYS A 7 -6.443 7.755 3.421 1.00 0.00 C ATOM 81 C LYS A 7 -5.438 6.768 2.819 1.00 0.00 C ATOM 82 O LYS A 7 -4.606 6.210 3.514 1.00 0.00 O ATOM 83 CB LYS A 7 -5.708 9.011 3.888 1.00 0.00 C ATOM 84 CG LYS A 7 -6.629 10.224 3.736 1.00 0.00 C ATOM 85 CD LYS A 7 -5.972 11.451 4.373 1.00 0.00 C ATOM 86 CE LYS A 7 -6.809 11.920 5.565 1.00 0.00 C ATOM 87 NZ LYS A 7 -8.169 12.309 5.095 1.00 0.00 N ATOM 0 H LYS A 7 -6.803 7.405 5.500 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.172 8.008 2.651 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.402 8.901 4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.800 9.154 3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.828 10.412 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.590 10.026 4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.961 11.207 4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.885 12.252 3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.883 11.125 6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.325 12.766 6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.368 13.289 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.212 12.236 4.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.877 11.674 5.517 1.00 0.00 H new ATOM 101 N PHE A 8 -5.509 6.563 1.521 1.00 0.00 N ATOM 102 CA PHE A 8 -4.569 5.633 0.847 1.00 0.00 C ATOM 103 C PHE A 8 -3.634 6.409 -0.073 1.00 0.00 C ATOM 104 O PHE A 8 -3.981 7.452 -0.589 1.00 0.00 O ATOM 105 CB PHE A 8 -5.342 4.645 -0.027 1.00 0.00 C ATOM 106 CG PHE A 8 -6.213 3.754 0.815 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.335 4.286 1.440 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.902 2.399 0.965 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.153 3.468 2.221 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.723 1.575 1.752 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.849 2.112 2.379 1.00 0.00 C ATOM 0 H PHE A 8 -6.187 7.009 0.903 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.006 5.109 1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.957 5.190 -0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.643 4.039 -0.603 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.574 5.333 1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.032 1.987 0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.024 3.884 2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.484 0.529 1.872 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.484 1.482 2.984 1.00 0.00 H new ATOM 121 N LEU A 9 -2.464 5.880 -0.305 1.00 0.00 N ATOM 122 CA LEU A 9 -1.503 6.545 -1.232 1.00 0.00 C ATOM 123 C LEU A 9 -1.069 5.524 -2.291 1.00 0.00 C ATOM 124 O LEU A 9 -0.315 4.615 -2.009 1.00 0.00 O ATOM 125 CB LEU A 9 -0.280 7.039 -0.452 1.00 0.00 C ATOM 126 CG LEU A 9 0.774 7.592 -1.419 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.160 8.694 -2.279 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.934 8.171 -0.617 1.00 0.00 C ATOM 0 H LEU A 9 -2.130 5.010 0.110 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.977 7.402 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.578 7.813 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.144 6.221 0.131 1.00 0.00 H new ATOM 0 HG LEU A 9 1.130 6.788 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.913 9.083 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.674 8.287 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.198 9.499 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.687 8.566 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.569 8.973 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.377 7.388 -0.001 1.00 0.00 H new ATOM 140 N VAL A 10 -1.543 5.657 -3.506 1.00 0.00 N ATOM 141 CA VAL A 10 -1.152 4.680 -4.565 1.00 0.00 C ATOM 142 C VAL A 10 0.067 5.205 -5.325 1.00 0.00 C ATOM 143 O VAL A 10 -0.007 6.201 -6.016 1.00 0.00 O ATOM 144 CB VAL A 10 -2.311 4.480 -5.545 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.225 3.363 -5.043 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.114 5.774 -5.668 1.00 0.00 C ATOM 0 H VAL A 10 -2.179 6.395 -3.807 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.908 3.727 -4.095 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.908 4.209 -6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.048 3.224 -5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.657 2.436 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.623 3.631 -4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.938 5.626 -6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.512 6.050 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.466 6.571 -6.034 1.00 0.00 H new ATOM 156 N VAL A 11 1.186 4.536 -5.198 1.00 0.00 N ATOM 157 CA VAL A 11 2.420 4.973 -5.898 1.00 0.00 C ATOM 158 C VAL A 11 2.808 3.931 -6.951 1.00 0.00 C ATOM 159 O VAL A 11 3.633 3.073 -6.708 1.00 0.00 O ATOM 160 CB VAL A 11 3.552 5.120 -4.881 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.823 5.601 -5.585 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.145 6.142 -3.820 1.00 0.00 C ATOM 0 H VAL A 11 1.292 3.695 -4.630 1.00 0.00 H new ATOM 0 HA VAL A 11 2.243 5.931 -6.388 1.00 0.00 H new ATOM 0 HB VAL A 11 3.744 4.155 -4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.626 5.704 -4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.114 4.876 -6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.635 6.566 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.949 6.251 -3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.954 7.104 -4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.241 5.801 -3.314 1.00 0.00 H new ATOM 172 N ASP A 12 2.216 4.008 -8.116 1.00 0.00 N ATOM 173 CA ASP A 12 2.538 3.031 -9.200 1.00 0.00 C ATOM 174 C ASP A 12 3.133 3.775 -10.396 1.00 0.00 C ATOM 175 O ASP A 12 3.706 4.838 -10.258 1.00 0.00 O ATOM 176 CB ASP A 12 1.257 2.316 -9.637 1.00 0.00 C ATOM 177 CG ASP A 12 0.335 2.137 -8.430 1.00 0.00 C ATOM 178 OD1 ASP A 12 0.662 1.333 -7.573 1.00 0.00 O ATOM 179 OD2 ASP A 12 -0.684 2.807 -8.383 1.00 0.00 O ATOM 0 H ASP A 12 1.519 4.710 -8.364 1.00 0.00 H new ATOM 0 HA ASP A 12 3.257 2.301 -8.829 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.752 2.893 -10.411 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.499 1.345 -10.070 1.00 0.00 H new ATOM 184 N ASP A 13 2.998 3.224 -11.571 1.00 0.00 N ATOM 185 CA ASP A 13 3.552 3.895 -12.780 1.00 0.00 C ATOM 186 C ASP A 13 2.645 3.605 -13.977 1.00 0.00 C ATOM 187 O ASP A 13 2.937 3.981 -15.096 1.00 0.00 O ATOM 188 CB ASP A 13 4.957 3.358 -13.061 1.00 0.00 C ATOM 189 CG ASP A 13 5.635 4.225 -14.122 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.094 5.273 -14.437 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.683 3.828 -14.603 1.00 0.00 O ATOM 0 H ASP A 13 2.527 2.336 -11.746 1.00 0.00 H new ATOM 0 HA ASP A 13 3.603 4.971 -12.612 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.547 3.359 -12.145 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.901 2.325 -13.403 1.00 0.00 H new ATOM 196 N PHE A 14 1.546 2.937 -13.750 1.00 0.00 N ATOM 197 CA PHE A 14 0.617 2.617 -14.873 1.00 0.00 C ATOM 198 C PHE A 14 -0.484 3.679 -14.943 1.00 0.00 C ATOM 199 O PHE A 14 -1.201 3.906 -13.989 1.00 0.00 O ATOM 200 CB PHE A 14 -0.012 1.240 -14.638 1.00 0.00 C ATOM 201 CG PHE A 14 0.832 0.182 -15.313 1.00 0.00 C ATOM 202 CD1 PHE A 14 2.128 -0.076 -14.852 1.00 0.00 C ATOM 203 CD2 PHE A 14 0.319 -0.539 -16.399 1.00 0.00 C ATOM 204 CE1 PHE A 14 2.912 -1.055 -15.475 1.00 0.00 C ATOM 205 CE2 PHE A 14 1.102 -1.518 -17.022 1.00 0.00 C ATOM 206 CZ PHE A 14 2.399 -1.775 -16.560 1.00 0.00 C ATOM 0 H PHE A 14 1.251 2.599 -12.834 1.00 0.00 H new ATOM 0 HA PHE A 14 1.170 2.607 -15.812 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.083 1.038 -13.569 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.027 1.219 -15.034 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.524 0.480 -14.015 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.681 -0.340 -16.756 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.912 -1.254 -15.118 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.706 -2.075 -17.858 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.004 -2.529 -17.041 1.00 0.00 H new ATOM 216 N SER A 15 -0.622 4.330 -16.065 1.00 0.00 N ATOM 217 CA SER A 15 -1.676 5.377 -16.195 1.00 0.00 C ATOM 218 C SER A 15 -3.048 4.709 -16.305 1.00 0.00 C ATOM 219 O SER A 15 -3.934 5.198 -16.977 1.00 0.00 O ATOM 220 CB SER A 15 -1.413 6.212 -17.449 1.00 0.00 C ATOM 221 OG SER A 15 -2.321 7.305 -17.483 1.00 0.00 O ATOM 0 H SER A 15 -0.051 4.183 -16.897 1.00 0.00 H new ATOM 0 HA SER A 15 -1.656 6.023 -15.318 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.386 6.577 -17.448 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.532 5.597 -18.341 1.00 0.00 H new ATOM 0 HG SER A 15 -3.241 6.967 -17.464 1.00 0.00 H new ATOM 227 N THR A 16 -3.231 3.598 -15.648 1.00 0.00 N ATOM 228 CA THR A 16 -4.547 2.901 -15.714 1.00 0.00 C ATOM 229 C THR A 16 -4.771 2.111 -14.423 1.00 0.00 C ATOM 230 O THR A 16 -5.857 2.085 -13.881 1.00 0.00 O ATOM 231 CB THR A 16 -4.562 1.945 -16.912 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.623 1.012 -16.755 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.230 1.196 -16.997 1.00 0.00 C ATOM 0 H THR A 16 -2.527 3.142 -15.068 1.00 0.00 H new ATOM 0 HA THR A 16 -5.342 3.637 -15.831 1.00 0.00 H new ATOM 0 HB THR A 16 -4.708 2.517 -17.828 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.636 0.400 -17.520 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.247 0.518 -17.851 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.417 1.912 -17.119 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.075 0.624 -16.082 1.00 0.00 H new ATOM 241 N MET A 17 -3.751 1.469 -13.926 1.00 0.00 N ATOM 242 CA MET A 17 -3.903 0.681 -12.671 1.00 0.00 C ATOM 243 C MET A 17 -4.472 1.572 -11.565 1.00 0.00 C ATOM 244 O MET A 17 -5.342 1.173 -10.817 1.00 0.00 O ATOM 245 CB MET A 17 -2.533 0.148 -12.242 1.00 0.00 C ATOM 246 CG MET A 17 -2.686 -0.692 -10.974 1.00 0.00 C ATOM 247 SD MET A 17 -1.114 -1.506 -10.598 1.00 0.00 S ATOM 248 CE MET A 17 -1.089 -1.142 -8.825 1.00 0.00 C ATOM 0 H MET A 17 -2.817 1.456 -14.335 1.00 0.00 H new ATOM 0 HA MET A 17 -4.584 -0.152 -12.846 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.099 -0.455 -13.040 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.849 0.977 -12.061 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.989 -0.059 -10.140 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.470 -1.437 -11.110 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.087 -1.317 -8.432 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.366 -0.100 -8.664 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.799 -1.790 -8.311 1.00 0.00 H new ATOM 258 N ARG A 18 -3.978 2.775 -11.450 1.00 0.00 N ATOM 259 CA ARG A 18 -4.481 3.693 -10.387 1.00 0.00 C ATOM 260 C ARG A 18 -5.996 3.834 -10.481 1.00 0.00 C ATOM 261 O ARG A 18 -6.686 3.893 -9.483 1.00 0.00 O ATOM 262 CB ARG A 18 -3.861 5.079 -10.559 1.00 0.00 C ATOM 263 CG ARG A 18 -2.804 5.045 -11.667 1.00 0.00 C ATOM 264 CD ARG A 18 -2.163 6.428 -11.815 1.00 0.00 C ATOM 265 NE ARG A 18 -2.856 7.184 -12.897 1.00 0.00 N ATOM 266 CZ ARG A 18 -3.915 7.894 -12.621 1.00 0.00 C ATOM 267 NH1 ARG A 18 -3.955 8.610 -11.530 1.00 0.00 N ATOM 268 NH2 ARG A 18 -4.934 7.891 -13.436 1.00 0.00 N ATOM 0 H ARG A 18 -3.247 3.162 -12.047 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.207 3.274 -9.419 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.636 5.805 -10.806 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.408 5.403 -9.622 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.041 4.304 -11.431 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.261 4.743 -12.609 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.231 6.974 -10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.103 6.326 -12.049 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.502 7.146 -13.853 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.158 8.614 -10.893 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.783 9.165 -11.314 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.903 7.333 -14.289 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.762 8.446 -13.220 1.00 0.00 H new ATOM 282 N ARG A 19 -6.521 3.920 -11.667 1.00 0.00 N ATOM 283 CA ARG A 19 -7.989 4.092 -11.806 1.00 0.00 C ATOM 284 C ARG A 19 -8.714 2.819 -11.362 1.00 0.00 C ATOM 285 O ARG A 19 -9.851 2.860 -10.935 1.00 0.00 O ATOM 286 CB ARG A 19 -8.334 4.397 -13.264 1.00 0.00 C ATOM 287 CG ARG A 19 -8.032 5.867 -13.564 1.00 0.00 C ATOM 288 CD ARG A 19 -8.316 6.156 -15.040 1.00 0.00 C ATOM 289 NE ARG A 19 -9.008 7.471 -15.162 1.00 0.00 N ATOM 290 CZ ARG A 19 -10.244 7.520 -15.577 1.00 0.00 C ATOM 291 NH1 ARG A 19 -11.063 6.540 -15.309 1.00 0.00 N ATOM 292 NH2 ARG A 19 -10.663 8.550 -16.260 1.00 0.00 N ATOM 0 H ARG A 19 -6.000 3.879 -12.543 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.310 4.921 -11.175 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.756 3.753 -13.928 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.387 4.186 -13.451 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.644 6.511 -12.932 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.990 6.090 -13.333 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.384 6.169 -15.605 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.935 5.366 -15.464 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.516 8.331 -14.921 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.737 5.735 -14.775 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.029 6.579 -15.634 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.024 9.317 -16.470 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.629 8.588 -16.584 1.00 0.00 H new ATOM 306 N ILE A 20 -8.073 1.689 -11.460 1.00 0.00 N ATOM 307 CA ILE A 20 -8.736 0.420 -11.044 1.00 0.00 C ATOM 308 C ILE A 20 -8.890 0.403 -9.522 1.00 0.00 C ATOM 309 O ILE A 20 -9.955 0.140 -9.000 1.00 0.00 O ATOM 310 CB ILE A 20 -7.885 -0.773 -11.506 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.394 -1.260 -12.867 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.975 -1.923 -10.494 1.00 0.00 C ATOM 313 CD1 ILE A 20 -8.434 -0.091 -13.854 1.00 0.00 C ATOM 0 H ILE A 20 -7.120 1.588 -11.809 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.723 0.350 -11.501 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.846 -0.453 -11.585 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.744 -2.048 -13.248 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.389 -1.692 -12.760 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.366 -2.759 -10.838 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.611 -1.584 -9.524 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.012 -2.244 -10.400 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.797 -0.443 -14.820 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.102 0.682 -13.475 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.432 0.321 -13.971 1.00 0.00 H new ATOM 325 N VAL A 21 -7.833 0.669 -8.806 1.00 0.00 N ATOM 326 CA VAL A 21 -7.924 0.654 -7.318 1.00 0.00 C ATOM 327 C VAL A 21 -8.842 1.784 -6.839 1.00 0.00 C ATOM 328 O VAL A 21 -9.615 1.617 -5.918 1.00 0.00 O ATOM 329 CB VAL A 21 -6.530 0.831 -6.711 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.120 -0.463 -6.006 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.521 1.140 -7.817 1.00 0.00 C ATOM 0 H VAL A 21 -6.913 0.895 -9.184 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.337 -0.302 -6.998 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.549 1.654 -5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.128 -0.342 -5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.836 -0.690 -5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.104 -1.281 -6.727 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.530 1.265 -7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.501 0.317 -8.532 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.811 2.058 -8.328 1.00 0.00 H new ATOM 341 N ARG A 22 -8.764 2.932 -7.458 1.00 0.00 N ATOM 342 CA ARG A 22 -9.636 4.068 -7.037 1.00 0.00 C ATOM 343 C ARG A 22 -11.072 3.576 -6.868 1.00 0.00 C ATOM 344 O ARG A 22 -11.685 3.747 -5.833 1.00 0.00 O ATOM 345 CB ARG A 22 -9.605 5.149 -8.117 1.00 0.00 C ATOM 346 CG ARG A 22 -8.766 6.334 -7.638 1.00 0.00 C ATOM 347 CD ARG A 22 -8.529 7.295 -8.805 1.00 0.00 C ATOM 348 NE ARG A 22 -8.912 8.676 -8.396 1.00 0.00 N ATOM 349 CZ ARG A 22 -8.445 9.704 -9.052 1.00 0.00 C ATOM 350 NH1 ARG A 22 -7.261 10.175 -8.768 1.00 0.00 N ATOM 351 NH2 ARG A 22 -9.161 10.258 -9.991 1.00 0.00 N ATOM 0 H ARG A 22 -8.135 3.132 -8.236 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.275 4.473 -6.092 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.187 4.744 -9.038 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.619 5.478 -8.345 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.277 6.850 -6.825 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.813 5.983 -7.243 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.481 7.270 -9.104 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.115 6.985 -9.670 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.539 8.818 -7.604 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.702 9.740 -8.034 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.895 10.978 -9.280 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.085 9.888 -10.213 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.797 11.061 -10.504 1.00 0.00 H new ATOM 365 N ASN A 23 -11.609 2.961 -7.883 1.00 0.00 N ATOM 366 CA ASN A 23 -12.991 2.446 -7.815 1.00 0.00 C ATOM 367 C ASN A 23 -13.069 1.363 -6.752 1.00 0.00 C ATOM 368 O ASN A 23 -13.850 1.427 -5.826 1.00 0.00 O ATOM 369 CB ASN A 23 -13.299 1.821 -9.161 1.00 0.00 C ATOM 370 CG ASN A 23 -14.687 2.250 -9.639 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.687 1.828 -9.092 1.00 0.00 O ATOM 372 ND2 ASN A 23 -14.792 3.074 -10.644 1.00 0.00 N ATOM 0 H ASN A 23 -11.134 2.794 -8.770 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.692 3.245 -7.574 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.547 2.122 -9.890 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.253 0.735 -9.085 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.713 3.365 -10.971 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.953 3.428 -11.103 1.00 0.00 H new ATOM 379 N LEU A 24 -12.255 0.366 -6.909 1.00 0.00 N ATOM 380 CA LEU A 24 -12.224 -0.773 -5.951 1.00 0.00 C ATOM 381 C LEU A 24 -12.385 -0.265 -4.513 1.00 0.00 C ATOM 382 O LEU A 24 -13.257 -0.702 -3.787 1.00 0.00 O ATOM 383 CB LEU A 24 -10.873 -1.476 -6.111 1.00 0.00 C ATOM 384 CG LEU A 24 -10.899 -2.892 -5.495 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.665 -3.932 -6.595 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.798 -3.059 -4.434 1.00 0.00 C ATOM 0 H LEU A 24 -11.592 0.288 -7.680 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.043 -1.463 -6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.618 -1.542 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.094 -0.883 -5.632 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.872 -3.034 -5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.683 -4.932 -6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.450 -3.849 -7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.695 -3.757 -7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.842 -4.066 -4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.823 -2.898 -4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.948 -2.331 -3.637 1.00 0.00 H new ATOM 398 N LEU A 25 -11.560 0.654 -4.092 1.00 0.00 N ATOM 399 CA LEU A 25 -11.683 1.180 -2.700 1.00 0.00 C ATOM 400 C LEU A 25 -13.009 1.925 -2.558 1.00 0.00 C ATOM 401 O LEU A 25 -13.746 1.723 -1.613 1.00 0.00 O ATOM 402 CB LEU A 25 -10.524 2.139 -2.407 1.00 0.00 C ATOM 403 CG LEU A 25 -9.276 1.338 -2.014 1.00 0.00 C ATOM 404 CD1 LEU A 25 -8.069 2.276 -1.956 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.472 0.683 -0.638 1.00 0.00 C ATOM 0 H LEU A 25 -10.809 1.063 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.651 0.350 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.314 2.750 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.798 2.821 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.109 0.559 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.181 1.709 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.916 2.733 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.249 3.056 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.578 0.118 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.648 1.455 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.329 0.010 -0.674 1.00 0.00 H new ATOM 417 N LYS A 26 -13.320 2.785 -3.486 1.00 0.00 N ATOM 418 CA LYS A 26 -14.592 3.538 -3.398 1.00 0.00 C ATOM 419 C LYS A 26 -15.768 2.560 -3.383 1.00 0.00 C ATOM 420 O LYS A 26 -16.837 2.872 -2.897 1.00 0.00 O ATOM 421 CB LYS A 26 -14.714 4.478 -4.599 1.00 0.00 C ATOM 422 CG LYS A 26 -13.842 5.714 -4.364 1.00 0.00 C ATOM 423 CD LYS A 26 -13.786 6.550 -5.643 1.00 0.00 C ATOM 424 CE LYS A 26 -12.882 7.763 -5.420 1.00 0.00 C ATOM 425 NZ LYS A 26 -13.709 9.002 -5.405 1.00 0.00 N ATOM 0 H LYS A 26 -12.745 2.996 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.603 4.125 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.402 3.966 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.754 4.774 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.248 6.309 -3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.837 5.412 -4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.407 5.947 -6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.788 6.876 -5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.344 7.661 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.133 7.822 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.095 9.827 -5.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.203 9.101 -6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.407 8.944 -4.636 1.00 0.00 H new ATOM 439 N GLU A 27 -15.585 1.376 -3.910 1.00 0.00 N ATOM 440 CA GLU A 27 -16.695 0.394 -3.918 1.00 0.00 C ATOM 441 C GLU A 27 -16.904 -0.151 -2.503 1.00 0.00 C ATOM 442 O GLU A 27 -17.899 -0.785 -2.214 1.00 0.00 O ATOM 443 CB GLU A 27 -16.354 -0.757 -4.867 1.00 0.00 C ATOM 444 CG GLU A 27 -17.465 -1.807 -4.817 1.00 0.00 C ATOM 445 CD GLU A 27 -17.048 -2.950 -3.889 1.00 0.00 C ATOM 446 OE1 GLU A 27 -16.308 -2.687 -2.955 1.00 0.00 O ATOM 447 OE2 GLU A 27 -17.474 -4.068 -4.128 1.00 0.00 O ATOM 0 H GLU A 27 -14.715 1.053 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.609 0.882 -4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -16.239 -0.382 -5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.402 -1.206 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.391 -1.355 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.662 -2.191 -5.818 1.00 0.00 H new ATOM 454 N LEU A 28 -15.969 0.088 -1.621 1.00 0.00 N ATOM 455 CA LEU A 28 -16.110 -0.419 -0.226 1.00 0.00 C ATOM 456 C LEU A 28 -16.704 0.674 0.664 1.00 0.00 C ATOM 457 O LEU A 28 -17.516 0.408 1.528 1.00 0.00 O ATOM 458 CB LEU A 28 -14.733 -0.822 0.306 1.00 0.00 C ATOM 459 CG LEU A 28 -14.565 -2.339 0.190 1.00 0.00 C ATOM 460 CD1 LEU A 28 -13.087 -2.702 0.337 1.00 0.00 C ATOM 461 CD2 LEU A 28 -15.371 -3.036 1.292 1.00 0.00 C ATOM 0 H LEU A 28 -15.114 0.612 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.773 -1.284 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.951 -0.315 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.628 -0.512 1.346 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.927 -2.666 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.968 -3.782 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.512 -2.212 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.726 -2.371 1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.248 -4.116 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.013 -2.707 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.426 -2.781 1.188 1.00 0.00 H new ATOM 473 N GLY A 29 -16.306 1.900 0.458 1.00 0.00 N ATOM 474 CA GLY A 29 -16.839 3.011 1.286 1.00 0.00 C ATOM 475 C GLY A 29 -15.738 4.043 1.562 1.00 0.00 C ATOM 476 O GLY A 29 -15.937 4.988 2.297 1.00 0.00 O ATOM 0 H GLY A 29 -15.630 2.178 -0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.674 3.488 0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.225 2.620 2.227 1.00 0.00 H new ATOM 480 N PHE A 30 -14.578 3.876 0.987 1.00 0.00 N ATOM 481 CA PHE A 30 -13.479 4.852 1.238 1.00 0.00 C ATOM 482 C PHE A 30 -13.548 5.978 0.200 1.00 0.00 C ATOM 483 O PHE A 30 -13.968 5.772 -0.921 1.00 0.00 O ATOM 484 CB PHE A 30 -12.135 4.132 1.116 1.00 0.00 C ATOM 485 CG PHE A 30 -12.017 3.079 2.193 1.00 0.00 C ATOM 486 CD1 PHE A 30 -12.485 1.784 1.956 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.427 3.394 3.420 1.00 0.00 C ATOM 488 CE1 PHE A 30 -12.363 0.800 2.945 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.303 2.412 4.410 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.770 1.114 4.172 1.00 0.00 C ATOM 0 H PHE A 30 -14.344 3.109 0.357 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.583 5.274 2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.048 3.670 0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.319 4.849 1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.942 1.541 1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.067 4.395 3.605 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.726 -0.200 2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.847 2.656 5.358 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.672 0.356 4.935 1.00 0.00 H new ATOM 500 N ASN A 31 -13.146 7.169 0.565 1.00 0.00 N ATOM 501 CA ASN A 31 -13.200 8.301 -0.407 1.00 0.00 C ATOM 502 C ASN A 31 -12.086 9.314 -0.107 1.00 0.00 C ATOM 503 O ASN A 31 -12.348 10.450 0.232 1.00 0.00 O ATOM 504 CB ASN A 31 -14.560 8.994 -0.300 1.00 0.00 C ATOM 505 CG ASN A 31 -14.846 9.767 -1.589 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.011 10.512 -2.062 1.00 0.00 O ATOM 507 ND2 ASN A 31 -16.001 9.621 -2.181 1.00 0.00 N ATOM 0 H ASN A 31 -12.785 7.405 1.489 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.060 7.911 -1.415 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.343 8.256 -0.126 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.567 9.673 0.552 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.202 10.132 -3.040 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.702 8.996 -1.784 1.00 0.00 H new ATOM 514 N ASN A 32 -10.846 8.915 -0.234 1.00 0.00 N ATOM 515 CA ASN A 32 -9.720 9.860 0.037 1.00 0.00 C ATOM 516 C ASN A 32 -8.391 9.180 -0.323 1.00 0.00 C ATOM 517 O ASN A 32 -7.836 8.436 0.458 1.00 0.00 O ATOM 518 CB ASN A 32 -9.723 10.254 1.520 1.00 0.00 C ATOM 519 CG ASN A 32 -9.450 11.754 1.649 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.481 12.155 2.261 1.00 0.00 O ATOM 521 ND2 ASN A 32 -10.270 12.605 1.093 1.00 0.00 N ATOM 0 H ASN A 32 -10.564 7.975 -0.514 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.841 10.759 -0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.685 10.008 1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.964 9.687 2.059 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.097 13.607 1.173 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.084 12.268 0.579 1.00 0.00 H new ATOM 528 N VAL A 33 -7.888 9.420 -1.511 1.00 0.00 N ATOM 529 CA VAL A 33 -6.606 8.773 -1.935 1.00 0.00 C ATOM 530 C VAL A 33 -5.742 9.772 -2.721 1.00 0.00 C ATOM 531 O VAL A 33 -6.254 10.675 -3.352 1.00 0.00 O ATOM 532 CB VAL A 33 -6.938 7.590 -2.855 1.00 0.00 C ATOM 533 CG1 VAL A 33 -5.652 6.888 -3.298 1.00 0.00 C ATOM 534 CG2 VAL A 33 -7.832 6.589 -2.121 1.00 0.00 C ATOM 0 H VAL A 33 -8.310 10.036 -2.205 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.061 8.441 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.462 7.970 -3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.901 6.051 -3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.020 7.593 -3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.118 6.520 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.062 5.753 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.314 6.220 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.758 7.080 -1.821 1.00 0.00 H new ATOM 544 N GLU A 34 -4.436 9.588 -2.717 1.00 0.00 N ATOM 545 CA GLU A 34 -3.539 10.492 -3.497 1.00 0.00 C ATOM 546 C GLU A 34 -2.712 9.624 -4.444 1.00 0.00 C ATOM 547 O GLU A 34 -2.961 8.441 -4.577 1.00 0.00 O ATOM 548 CB GLU A 34 -2.618 11.272 -2.559 1.00 0.00 C ATOM 549 CG GLU A 34 -3.323 12.551 -2.094 1.00 0.00 C ATOM 550 CD GLU A 34 -2.937 13.711 -3.014 1.00 0.00 C ATOM 551 OE1 GLU A 34 -2.624 13.450 -4.164 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.963 14.841 -2.553 1.00 0.00 O ATOM 0 H GLU A 34 -3.959 8.847 -2.204 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.131 11.214 -4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.353 10.657 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.689 11.522 -3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.404 12.408 -2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.043 12.780 -1.066 1.00 0.00 H new ATOM 559 N GLU A 35 -1.749 10.187 -5.119 1.00 0.00 N ATOM 560 CA GLU A 35 -0.950 9.360 -6.069 1.00 0.00 C ATOM 561 C GLU A 35 0.480 9.889 -6.194 1.00 0.00 C ATOM 562 O GLU A 35 0.749 11.059 -6.005 1.00 0.00 O ATOM 563 CB GLU A 35 -1.628 9.397 -7.442 1.00 0.00 C ATOM 564 CG GLU A 35 -0.989 8.368 -8.380 1.00 0.00 C ATOM 565 CD GLU A 35 -0.380 9.089 -9.585 1.00 0.00 C ATOM 566 OE1 GLU A 35 0.535 9.870 -9.383 1.00 0.00 O ATOM 567 OE2 GLU A 35 -0.838 8.847 -10.689 1.00 0.00 O ATOM 0 H GLU A 35 -1.482 11.170 -5.057 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.902 8.338 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.693 9.189 -7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.540 10.395 -7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.219 7.806 -7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.737 7.648 -8.713 1.00 0.00 H new ATOM 574 N ALA A 36 1.393 9.022 -6.540 1.00 0.00 N ATOM 575 CA ALA A 36 2.811 9.433 -6.717 1.00 0.00 C ATOM 576 C ALA A 36 3.365 8.693 -7.940 1.00 0.00 C ATOM 577 O ALA A 36 2.626 8.029 -8.640 1.00 0.00 O ATOM 578 CB ALA A 36 3.610 9.070 -5.464 1.00 0.00 C ATOM 0 H ALA A 36 1.211 8.033 -6.709 1.00 0.00 H new ATOM 0 HA ALA A 36 2.887 10.510 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.649 9.372 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.188 9.586 -4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.563 7.993 -5.302 1.00 0.00 H new ATOM 584 N GLU A 37 4.643 8.803 -8.214 1.00 0.00 N ATOM 585 CA GLU A 37 5.218 8.102 -9.410 1.00 0.00 C ATOM 586 C GLU A 37 6.322 7.130 -8.984 1.00 0.00 C ATOM 587 O GLU A 37 6.879 6.428 -9.803 1.00 0.00 O ATOM 588 CB GLU A 37 5.804 9.127 -10.384 1.00 0.00 C ATOM 589 CG GLU A 37 5.590 10.542 -9.845 1.00 0.00 C ATOM 590 CD GLU A 37 6.108 11.559 -10.863 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.587 11.137 -11.903 1.00 0.00 O ATOM 592 OE2 GLU A 37 6.018 12.744 -10.585 1.00 0.00 O ATOM 0 H GLU A 37 5.311 9.344 -7.666 1.00 0.00 H new ATOM 0 HA GLU A 37 4.418 7.545 -9.897 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.868 8.940 -10.525 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.330 9.025 -11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.531 10.713 -9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.111 10.664 -8.896 1.00 0.00 H new ATOM 599 N ASP A 38 6.642 7.071 -7.721 1.00 0.00 N ATOM 600 CA ASP A 38 7.710 6.126 -7.275 1.00 0.00 C ATOM 601 C ASP A 38 8.045 6.375 -5.804 1.00 0.00 C ATOM 602 O ASP A 38 7.480 7.238 -5.162 1.00 0.00 O ATOM 603 CB ASP A 38 8.976 6.312 -8.123 1.00 0.00 C ATOM 604 CG ASP A 38 9.081 7.762 -8.597 1.00 0.00 C ATOM 605 OD1 ASP A 38 8.491 8.617 -7.961 1.00 0.00 O ATOM 606 OD2 ASP A 38 9.752 7.993 -9.590 1.00 0.00 O ATOM 0 H ASP A 38 6.216 7.630 -6.982 1.00 0.00 H new ATOM 0 HA ASP A 38 7.344 5.107 -7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.857 6.047 -7.538 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.950 5.641 -8.982 1.00 0.00 H new ATOM 611 N GLY A 39 8.958 5.615 -5.267 1.00 0.00 N ATOM 612 CA GLY A 39 9.331 5.785 -3.835 1.00 0.00 C ATOM 613 C GLY A 39 9.832 7.208 -3.581 1.00 0.00 C ATOM 614 O GLY A 39 9.500 7.818 -2.585 1.00 0.00 O ATOM 0 H GLY A 39 9.464 4.880 -5.761 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.469 5.577 -3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.105 5.066 -3.566 1.00 0.00 H new ATOM 618 N VAL A 40 10.628 7.744 -4.463 1.00 0.00 N ATOM 619 CA VAL A 40 11.140 9.126 -4.247 1.00 0.00 C ATOM 620 C VAL A 40 9.959 10.091 -4.151 1.00 0.00 C ATOM 621 O VAL A 40 9.952 11.005 -3.349 1.00 0.00 O ATOM 622 CB VAL A 40 12.051 9.531 -5.409 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.452 9.048 -6.731 1.00 0.00 C ATOM 624 CG2 VAL A 40 12.186 11.055 -5.436 1.00 0.00 C ATOM 0 H VAL A 40 10.945 7.289 -5.319 1.00 0.00 H new ATOM 0 HA VAL A 40 11.714 9.161 -3.321 1.00 0.00 H new ATOM 0 HB VAL A 40 13.033 9.077 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.105 9.339 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.355 7.963 -6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.469 9.498 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.834 11.348 -6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.202 11.505 -5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.618 11.399 -4.496 1.00 0.00 H new ATOM 634 N ASP A 41 8.951 9.886 -4.952 1.00 0.00 N ATOM 635 CA ASP A 41 7.766 10.784 -4.896 1.00 0.00 C ATOM 636 C ASP A 41 7.000 10.512 -3.608 1.00 0.00 C ATOM 637 O ASP A 41 6.707 11.412 -2.847 1.00 0.00 O ATOM 638 CB ASP A 41 6.856 10.510 -6.090 1.00 0.00 C ATOM 639 CG ASP A 41 5.830 11.639 -6.218 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.927 12.588 -5.458 1.00 0.00 O ATOM 641 OD2 ASP A 41 4.967 11.536 -7.073 1.00 0.00 O ATOM 0 H ASP A 41 8.897 9.136 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 41 8.093 11.823 -4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.448 10.436 -7.003 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.347 9.554 -5.962 1.00 0.00 H new ATOM 646 N ALA A 42 6.680 9.274 -3.351 1.00 0.00 N ATOM 647 CA ALA A 42 5.942 8.958 -2.100 1.00 0.00 C ATOM 648 C ALA A 42 6.670 9.619 -0.932 1.00 0.00 C ATOM 649 O ALA A 42 6.119 10.453 -0.247 1.00 0.00 O ATOM 650 CB ALA A 42 5.893 7.444 -1.889 1.00 0.00 C ATOM 0 H ALA A 42 6.896 8.475 -3.948 1.00 0.00 H new ATOM 0 HA ALA A 42 4.920 9.332 -2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.350 7.222 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.386 6.975 -2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.908 7.054 -1.814 1.00 0.00 H new ATOM 656 N LEU A 43 7.911 9.265 -0.713 1.00 0.00 N ATOM 657 CA LEU A 43 8.685 9.884 0.403 1.00 0.00 C ATOM 658 C LEU A 43 8.461 11.398 0.395 1.00 0.00 C ATOM 659 O LEU A 43 8.368 12.029 1.428 1.00 0.00 O ATOM 660 CB LEU A 43 10.179 9.586 0.213 1.00 0.00 C ATOM 661 CG LEU A 43 10.998 10.210 1.352 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.556 9.623 2.695 1.00 0.00 C ATOM 663 CD2 LEU A 43 12.482 9.905 1.134 1.00 0.00 C ATOM 0 H LEU A 43 8.422 8.572 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 43 8.350 9.471 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.341 8.508 0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.516 9.981 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 43 10.837 11.288 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.142 10.071 3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.499 9.836 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.712 8.544 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.067 10.347 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.634 8.826 1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.804 10.325 0.181 1.00 0.00 H new ATOM 675 N ASN A 44 8.382 11.984 -0.768 1.00 0.00 N ATOM 676 CA ASN A 44 8.174 13.458 -0.849 1.00 0.00 C ATOM 677 C ASN A 44 6.752 13.820 -0.410 1.00 0.00 C ATOM 678 O ASN A 44 6.541 14.774 0.310 1.00 0.00 O ATOM 679 CB ASN A 44 8.389 13.918 -2.293 1.00 0.00 C ATOM 680 CG ASN A 44 9.691 14.715 -2.389 1.00 0.00 C ATOM 681 OD1 ASN A 44 9.960 15.564 -1.562 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.519 14.476 -3.370 1.00 0.00 N ATOM 0 H ASN A 44 8.452 11.506 -1.666 1.00 0.00 H new ATOM 0 HA ASN A 44 8.885 13.954 -0.188 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.429 13.055 -2.958 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.550 14.533 -2.618 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.390 15.002 -3.441 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.295 13.764 -4.065 1.00 0.00 H new ATOM 689 N LYS A 45 5.774 13.078 -0.851 1.00 0.00 N ATOM 690 CA LYS A 45 4.364 13.395 -0.470 1.00 0.00 C ATOM 691 C LYS A 45 3.973 12.663 0.819 1.00 0.00 C ATOM 692 O LYS A 45 2.888 12.842 1.333 1.00 0.00 O ATOM 693 CB LYS A 45 3.423 12.968 -1.601 1.00 0.00 C ATOM 694 CG LYS A 45 2.190 13.884 -1.638 1.00 0.00 C ATOM 695 CD LYS A 45 2.587 15.307 -2.054 1.00 0.00 C ATOM 696 CE LYS A 45 1.514 15.888 -2.980 1.00 0.00 C ATOM 697 NZ LYS A 45 0.194 15.866 -2.289 1.00 0.00 N ATOM 0 H LYS A 45 5.887 12.266 -1.458 1.00 0.00 H new ATOM 0 HA LYS A 45 4.282 14.469 -0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.947 13.012 -2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.113 11.933 -1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.455 13.486 -2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.716 13.905 -0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.700 15.937 -1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.551 15.293 -2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.773 16.909 -3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.463 15.310 -3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.460 16.518 -2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.196 14.902 -2.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.315 16.163 -1.300 1.00 0.00 H new ATOM 711 N LEU A 46 4.838 11.843 1.350 1.00 0.00 N ATOM 712 CA LEU A 46 4.491 11.114 2.605 1.00 0.00 C ATOM 713 C LEU A 46 4.546 12.098 3.776 1.00 0.00 C ATOM 714 O LEU A 46 3.812 11.978 4.737 1.00 0.00 O ATOM 715 CB LEU A 46 5.505 9.986 2.844 1.00 0.00 C ATOM 716 CG LEU A 46 4.797 8.630 2.977 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.838 8.656 4.167 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.009 8.317 1.702 1.00 0.00 C ATOM 0 H LEU A 46 5.765 11.646 0.973 1.00 0.00 H new ATOM 0 HA LEU A 46 3.492 10.687 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.216 9.950 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.077 10.192 3.749 1.00 0.00 H new ATOM 0 HG LEU A 46 5.552 7.859 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.340 7.690 4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.397 8.860 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.092 9.437 4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.512 7.353 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.263 9.094 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.691 8.281 0.852 1.00 0.00 H new ATOM 730 N GLN A 47 5.410 13.074 3.699 1.00 0.00 N ATOM 731 CA GLN A 47 5.511 14.067 4.804 1.00 0.00 C ATOM 732 C GLN A 47 4.129 14.659 5.072 1.00 0.00 C ATOM 733 O GLN A 47 3.871 15.194 6.131 1.00 0.00 O ATOM 734 CB GLN A 47 6.479 15.185 4.409 1.00 0.00 C ATOM 735 CG GLN A 47 6.599 15.248 2.885 1.00 0.00 C ATOM 736 CD GLN A 47 7.216 16.589 2.480 1.00 0.00 C ATOM 737 OE1 GLN A 47 8.282 16.630 1.899 1.00 0.00 O ATOM 738 NE2 GLN A 47 6.584 17.695 2.764 1.00 0.00 N ATOM 0 H GLN A 47 6.049 13.226 2.919 1.00 0.00 H new ATOM 0 HA GLN A 47 5.882 13.575 5.703 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.124 16.140 4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.458 15.006 4.854 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.217 14.426 2.523 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.617 15.134 2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.689 17.660 3.252 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.985 18.594 2.498 1.00 0.00 H new ATOM 747 N ALA A 48 3.240 14.563 4.120 1.00 0.00 N ATOM 748 CA ALA A 48 1.872 15.111 4.319 1.00 0.00 C ATOM 749 C ALA A 48 1.363 14.679 5.693 1.00 0.00 C ATOM 750 O ALA A 48 1.129 15.494 6.564 1.00 0.00 O ATOM 751 CB ALA A 48 0.941 14.571 3.233 1.00 0.00 C ATOM 0 H ALA A 48 3.405 14.128 3.212 1.00 0.00 H new ATOM 0 HA ALA A 48 1.896 16.199 4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.061 14.973 3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.312 14.871 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.907 13.483 3.291 1.00 0.00 H new ATOM 757 N GLY A 49 1.203 13.398 5.897 1.00 0.00 N ATOM 758 CA GLY A 49 0.726 12.903 7.219 1.00 0.00 C ATOM 759 C GLY A 49 -0.776 12.640 7.162 1.00 0.00 C ATOM 760 O GLY A 49 -1.575 13.551 7.086 1.00 0.00 O ATOM 0 H GLY A 49 1.383 12.673 5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.255 11.988 7.487 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.947 13.637 7.994 1.00 0.00 H new ATOM 764 N GLY A 50 -1.167 11.397 7.200 1.00 0.00 N ATOM 765 CA GLY A 50 -2.618 11.075 7.151 1.00 0.00 C ATOM 766 C GLY A 50 -2.825 9.747 6.424 1.00 0.00 C ATOM 767 O GLY A 50 -3.813 9.069 6.625 1.00 0.00 O ATOM 0 H GLY A 50 -0.544 10.592 7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.022 11.014 8.162 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.160 11.870 6.639 1.00 0.00 H new ATOM 771 N TYR A 51 -1.906 9.367 5.578 1.00 0.00 N ATOM 772 CA TYR A 51 -2.069 8.088 4.844 1.00 0.00 C ATOM 773 C TYR A 51 -2.040 6.924 5.817 1.00 0.00 C ATOM 774 O TYR A 51 -1.052 6.225 5.936 1.00 0.00 O ATOM 775 CB TYR A 51 -0.934 7.916 3.837 1.00 0.00 C ATOM 776 CG TYR A 51 -0.976 9.039 2.834 1.00 0.00 C ATOM 777 CD1 TYR A 51 -2.096 9.201 2.011 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.100 9.924 2.737 1.00 0.00 C ATOM 779 CE1 TYR A 51 -2.137 10.252 1.093 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.060 10.975 1.819 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.059 11.143 0.998 1.00 0.00 C ATOM 782 OH TYR A 51 -1.096 12.182 0.091 1.00 0.00 O ATOM 0 H TYR A 51 -1.054 9.887 5.367 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.025 8.107 4.321 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.026 7.911 4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.027 6.957 3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.927 8.515 2.086 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.964 9.795 3.373 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.000 10.379 0.456 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.893 11.658 1.743 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.269 12.704 0.157 1.00 0.00 H new ATOM 792 N GLY A 52 -3.121 6.681 6.498 1.00 0.00 N ATOM 793 CA GLY A 52 -3.137 5.532 7.431 1.00 0.00 C ATOM 794 C GLY A 52 -2.909 4.269 6.615 1.00 0.00 C ATOM 795 O GLY A 52 -2.825 3.180 7.135 1.00 0.00 O ATOM 0 H GLY A 52 -3.984 7.223 6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.361 5.643 8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.090 5.480 7.957 1.00 0.00 H new ATOM 799 N PHE A 53 -2.819 4.417 5.324 1.00 0.00 N ATOM 800 CA PHE A 53 -2.609 3.244 4.445 1.00 0.00 C ATOM 801 C PHE A 53 -1.782 3.680 3.229 1.00 0.00 C ATOM 802 O PHE A 53 -2.094 4.659 2.582 1.00 0.00 O ATOM 803 CB PHE A 53 -3.980 2.770 3.983 1.00 0.00 C ATOM 804 CG PHE A 53 -4.184 1.295 4.253 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.336 0.815 5.562 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.283 0.408 3.179 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.590 -0.540 5.778 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.527 -0.941 3.397 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.688 -1.421 4.698 1.00 0.00 C ATOM 0 H PHE A 53 -2.883 5.312 4.839 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.084 2.446 4.969 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.754 3.344 4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.091 2.963 2.916 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.257 1.492 6.400 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.169 0.775 2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.711 -0.910 6.785 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.592 -1.620 2.559 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.887 -2.469 4.869 1.00 0.00 H new ATOM 819 N VAL A 54 -0.738 2.971 2.903 1.00 0.00 N ATOM 820 CA VAL A 54 0.080 3.367 1.712 1.00 0.00 C ATOM 821 C VAL A 54 0.224 2.165 0.785 1.00 0.00 C ATOM 822 O VAL A 54 0.625 1.099 1.199 1.00 0.00 O ATOM 823 CB VAL A 54 1.460 3.860 2.153 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.341 4.072 0.920 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.309 5.192 2.895 1.00 0.00 C ATOM 0 H VAL A 54 -0.414 2.142 3.401 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.420 4.179 1.184 1.00 0.00 H new ATOM 0 HB VAL A 54 1.918 3.121 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.325 4.423 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.446 3.130 0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.881 4.814 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.290 5.546 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.854 5.928 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.675 5.051 3.771 1.00 0.00 H new ATOM 835 N ILE A 55 -0.113 2.332 -0.465 1.00 0.00 N ATOM 836 CA ILE A 55 -0.009 1.207 -1.438 1.00 0.00 C ATOM 837 C ILE A 55 1.205 1.438 -2.340 1.00 0.00 C ATOM 838 O ILE A 55 1.330 2.471 -2.967 1.00 0.00 O ATOM 839 CB ILE A 55 -1.277 1.166 -2.296 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.368 0.392 -1.553 1.00 0.00 C ATOM 841 CG2 ILE A 55 -0.975 0.473 -3.625 1.00 0.00 C ATOM 842 CD1 ILE A 55 -3.724 0.667 -2.207 1.00 0.00 C ATOM 0 H ILE A 55 -0.459 3.208 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 55 0.103 0.263 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.618 2.183 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.151 -0.676 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.391 0.690 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.878 0.445 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.198 1.024 -4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.633 -0.545 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.502 0.116 -1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.940 1.734 -2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.697 0.347 -3.249 1.00 0.00 H new ATOM 854 N SER A 56 2.098 0.489 -2.412 1.00 0.00 N ATOM 855 CA SER A 56 3.301 0.658 -3.277 1.00 0.00 C ATOM 856 C SER A 56 3.644 -0.680 -3.932 1.00 0.00 C ATOM 857 O SER A 56 3.512 -1.726 -3.333 1.00 0.00 O ATOM 858 CB SER A 56 4.481 1.134 -2.427 1.00 0.00 C ATOM 859 OG SER A 56 4.931 0.065 -1.607 1.00 0.00 O ATOM 0 H SER A 56 2.047 -0.397 -1.909 1.00 0.00 H new ATOM 0 HA SER A 56 3.095 1.398 -4.050 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.291 1.480 -3.070 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.181 1.980 -1.809 1.00 0.00 H new ATOM 0 HG SER A 56 5.688 0.367 -1.063 1.00 0.00 H new ATOM 865 N ASP A 57 4.077 -0.658 -5.160 1.00 0.00 N ATOM 866 CA ASP A 57 4.419 -1.934 -5.846 1.00 0.00 C ATOM 867 C ASP A 57 5.558 -2.632 -5.098 1.00 0.00 C ATOM 868 O ASP A 57 5.599 -2.654 -3.884 1.00 0.00 O ATOM 869 CB ASP A 57 4.859 -1.636 -7.279 1.00 0.00 C ATOM 870 CG ASP A 57 3.954 -0.557 -7.876 1.00 0.00 C ATOM 871 OD1 ASP A 57 2.843 -0.408 -7.390 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.385 0.104 -8.806 1.00 0.00 O ATOM 0 H ASP A 57 4.209 0.186 -5.718 1.00 0.00 H new ATOM 0 HA ASP A 57 3.544 -2.584 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.897 -1.303 -7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.809 -2.543 -7.882 1.00 0.00 H new ATOM 877 N TRP A 58 6.481 -3.205 -5.814 1.00 0.00 N ATOM 878 CA TRP A 58 7.617 -3.903 -5.150 1.00 0.00 C ATOM 879 C TRP A 58 8.669 -4.248 -6.203 1.00 0.00 C ATOM 880 O TRP A 58 8.356 -4.731 -7.272 1.00 0.00 O ATOM 881 CB TRP A 58 7.104 -5.186 -4.492 1.00 0.00 C ATOM 882 CG TRP A 58 8.254 -5.992 -3.978 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.008 -6.834 -4.722 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.785 -6.056 -2.623 1.00 0.00 C ATOM 885 NE1 TRP A 58 9.964 -7.415 -3.907 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.868 -6.967 -2.605 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.435 -5.420 -1.419 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.576 -7.237 -1.431 1.00 0.00 C ATOM 889 CZ3 TRP A 58 9.145 -5.690 -0.240 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.212 -6.597 -0.245 1.00 0.00 C ATOM 0 H TRP A 58 6.499 -3.221 -6.834 1.00 0.00 H new ATOM 0 HA TRP A 58 8.059 -3.260 -4.389 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.427 -4.939 -3.674 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.533 -5.771 -5.213 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.884 -7.022 -5.778 1.00 0.00 H new ATOM 0 HE1 TRP A 58 10.655 -8.092 -4.229 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.614 -4.719 -1.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.399 -7.936 -1.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.867 -5.195 0.679 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.753 -6.801 0.667 1.00 0.00 H new ATOM 901 N ASN A 59 9.911 -3.991 -5.914 1.00 0.00 N ATOM 902 CA ASN A 59 10.980 -4.292 -6.907 1.00 0.00 C ATOM 903 C ASN A 59 10.618 -3.633 -8.238 1.00 0.00 C ATOM 904 O ASN A 59 9.931 -4.208 -9.058 1.00 0.00 O ATOM 905 CB ASN A 59 11.095 -5.806 -7.101 1.00 0.00 C ATOM 906 CG ASN A 59 12.361 -6.120 -7.901 1.00 0.00 C ATOM 907 OD1 ASN A 59 12.296 -6.961 -8.897 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 13.419 -5.596 -7.616 1.00 0.00 N flip ATOM 0 H ASN A 59 10.234 -3.586 -5.035 1.00 0.00 H new ATOM 0 HA ASN A 59 11.934 -3.906 -6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.129 -6.306 -6.133 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.217 -6.185 -7.625 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.469 -4.939 -6.838 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.257 -5.813 -8.155 1.00 0.00 H new ATOM 915 N MET A 60 11.071 -2.429 -8.457 1.00 0.00 N ATOM 916 CA MET A 60 10.748 -1.733 -9.734 1.00 0.00 C ATOM 917 C MET A 60 11.214 -0.262 -9.687 1.00 0.00 C ATOM 918 O MET A 60 11.817 0.197 -10.638 1.00 0.00 O ATOM 919 CB MET A 60 9.232 -1.848 -10.024 1.00 0.00 C ATOM 920 CG MET A 60 8.659 -0.539 -10.592 1.00 0.00 C ATOM 921 SD MET A 60 9.555 -0.073 -12.097 1.00 0.00 S ATOM 922 CE MET A 60 8.403 1.202 -12.661 1.00 0.00 C ATOM 0 H MET A 60 11.650 -1.898 -7.807 1.00 0.00 H new ATOM 0 HA MET A 60 11.286 -2.213 -10.551 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.058 -2.658 -10.732 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.705 -2.108 -9.106 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.599 -0.662 -10.813 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.740 0.255 -9.850 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.766 1.633 -13.594 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.421 0.758 -12.824 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.327 1.984 -11.905 1.00 0.00 H new ATOM 932 N PRO A 61 10.935 0.460 -8.613 1.00 0.00 N ATOM 933 CA PRO A 61 11.353 1.873 -8.526 1.00 0.00 C ATOM 934 C PRO A 61 12.881 1.970 -8.516 1.00 0.00 C ATOM 935 O PRO A 61 13.479 2.516 -9.421 1.00 0.00 O ATOM 936 CB PRO A 61 10.768 2.385 -7.204 1.00 0.00 C ATOM 937 CG PRO A 61 10.004 1.213 -6.542 1.00 0.00 C ATOM 938 CD PRO A 61 10.204 -0.032 -7.421 1.00 0.00 C ATOM 0 HA PRO A 61 11.003 2.460 -9.375 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.561 2.743 -6.548 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.098 3.226 -7.383 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.378 1.034 -5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.944 1.450 -6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.773 -0.799 -6.896 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.249 -0.478 -7.699 1.00 0.00 H new ATOM 946 N ASN A 62 13.509 1.440 -7.497 1.00 0.00 N ATOM 947 CA ASN A 62 14.999 1.488 -7.411 1.00 0.00 C ATOM 948 C ASN A 62 15.531 0.069 -7.205 1.00 0.00 C ATOM 949 O ASN A 62 16.538 -0.317 -7.764 1.00 0.00 O ATOM 950 CB ASN A 62 15.413 2.365 -6.225 1.00 0.00 C ATOM 951 CG ASN A 62 15.180 1.605 -4.917 1.00 0.00 C ATOM 952 OD1 ASN A 62 15.845 0.626 -4.643 1.00 0.00 O ATOM 953 ND2 ASN A 62 14.258 2.020 -4.092 1.00 0.00 N ATOM 0 H ASN A 62 13.049 0.973 -6.716 1.00 0.00 H new ATOM 0 HA ASN A 62 15.409 1.906 -8.330 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.463 2.642 -6.314 1.00 0.00 H new ATOM 0 HB3 ASN A 62 14.838 3.291 -6.226 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.095 1.522 -3.217 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.700 2.842 -4.323 1.00 0.00 H new ATOM 960 N MET A 63 14.853 -0.707 -6.407 1.00 0.00 N ATOM 961 CA MET A 63 15.298 -2.105 -6.153 1.00 0.00 C ATOM 962 C MET A 63 14.221 -2.820 -5.337 1.00 0.00 C ATOM 963 O MET A 63 14.036 -4.016 -5.438 1.00 0.00 O ATOM 964 CB MET A 63 16.610 -2.094 -5.366 1.00 0.00 C ATOM 965 CG MET A 63 17.230 -3.491 -5.389 1.00 0.00 C ATOM 966 SD MET A 63 18.854 -3.440 -4.593 1.00 0.00 S ATOM 967 CE MET A 63 19.180 -5.220 -4.635 1.00 0.00 C ATOM 0 H MET A 63 14.003 -0.430 -5.916 1.00 0.00 H new ATOM 0 HA MET A 63 15.455 -2.621 -7.100 1.00 0.00 H new ATOM 0 HB2 MET A 63 17.301 -1.371 -5.800 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.427 -1.783 -4.338 1.00 0.00 H new ATOM 0 HG2 MET A 63 16.581 -4.198 -4.872 1.00 0.00 H new ATOM 0 HG3 MET A 63 17.327 -3.841 -6.417 1.00 0.00 H new ATOM 0 HE1 MET A 63 20.152 -5.423 -4.185 1.00 0.00 H new ATOM 0 HE2 MET A 63 18.405 -5.745 -4.077 1.00 0.00 H new ATOM 0 HE3 MET A 63 19.180 -5.566 -5.669 1.00 0.00 H new ATOM 977 N ASP A 64 13.508 -2.083 -4.528 1.00 0.00 N ATOM 978 CA ASP A 64 12.434 -2.695 -3.697 1.00 0.00 C ATOM 979 C ASP A 64 11.918 -1.650 -2.709 1.00 0.00 C ATOM 980 O ASP A 64 12.683 -1.031 -1.996 1.00 0.00 O ATOM 981 CB ASP A 64 12.992 -3.896 -2.927 1.00 0.00 C ATOM 982 CG ASP A 64 14.470 -3.662 -2.608 1.00 0.00 C ATOM 983 OD1 ASP A 64 14.780 -2.619 -2.057 1.00 0.00 O ATOM 984 OD2 ASP A 64 15.267 -4.530 -2.924 1.00 0.00 O ATOM 0 H ASP A 64 13.625 -1.077 -4.407 1.00 0.00 H new ATOM 0 HA ASP A 64 11.621 -3.033 -4.340 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.430 -4.042 -2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.877 -4.805 -3.518 1.00 0.00 H new ATOM 989 N GLY A 65 10.630 -1.439 -2.656 1.00 0.00 N ATOM 990 CA GLY A 65 10.095 -0.423 -1.708 1.00 0.00 C ATOM 991 C GLY A 65 10.685 -0.669 -0.317 1.00 0.00 C ATOM 992 O GLY A 65 10.563 0.149 0.566 1.00 0.00 O ATOM 0 H GLY A 65 9.932 -1.921 -3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.348 0.580 -2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.007 -0.482 -1.670 1.00 0.00 H new ATOM 996 N LEU A 66 11.337 -1.783 -0.108 1.00 0.00 N ATOM 997 CA LEU A 66 11.931 -2.026 1.235 1.00 0.00 C ATOM 998 C LEU A 66 12.743 -0.791 1.614 1.00 0.00 C ATOM 999 O LEU A 66 12.783 -0.380 2.756 1.00 0.00 O ATOM 1000 CB LEU A 66 12.840 -3.257 1.202 1.00 0.00 C ATOM 1001 CG LEU A 66 12.097 -4.464 1.786 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.939 -5.723 1.587 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.845 -4.256 3.286 1.00 0.00 C ATOM 0 H LEU A 66 11.481 -2.521 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 66 11.144 -2.208 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.146 -3.467 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.748 -3.066 1.773 1.00 0.00 H new ATOM 0 HG LEU A 66 11.140 -4.572 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.412 -6.582 2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.110 -5.882 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.896 -5.605 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.317 -5.120 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.798 -4.140 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.241 -3.360 3.433 1.00 0.00 H new ATOM 1015 N GLU A 67 13.360 -0.173 0.644 1.00 0.00 N ATOM 1016 CA GLU A 67 14.134 1.057 0.919 1.00 0.00 C ATOM 1017 C GLU A 67 13.132 2.192 1.127 1.00 0.00 C ATOM 1018 O GLU A 67 13.365 3.123 1.870 1.00 0.00 O ATOM 1019 CB GLU A 67 15.025 1.367 -0.282 1.00 0.00 C ATOM 1020 CG GLU A 67 16.070 0.262 -0.448 1.00 0.00 C ATOM 1021 CD GLU A 67 17.468 0.883 -0.488 1.00 0.00 C ATOM 1022 OE1 GLU A 67 17.626 1.897 -1.148 1.00 0.00 O ATOM 1023 OE2 GLU A 67 18.357 0.334 0.144 1.00 0.00 O ATOM 0 H GLU A 67 13.357 -0.474 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 67 14.762 0.937 1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.420 1.447 -1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.518 2.329 -0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.999 -0.447 0.377 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.882 -0.296 -1.365 1.00 0.00 H new ATOM 1030 N LEU A 68 11.999 2.091 0.483 1.00 0.00 N ATOM 1031 CA LEU A 68 10.944 3.125 0.637 1.00 0.00 C ATOM 1032 C LEU A 68 10.305 2.931 2.009 1.00 0.00 C ATOM 1033 O LEU A 68 10.482 3.723 2.908 1.00 0.00 O ATOM 1034 CB LEU A 68 9.897 2.926 -0.468 1.00 0.00 C ATOM 1035 CG LEU A 68 8.783 3.966 -0.348 1.00 0.00 C ATOM 1036 CD1 LEU A 68 9.362 5.367 -0.549 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.724 3.683 -1.420 1.00 0.00 C ATOM 0 H LEU A 68 11.761 1.326 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 68 11.356 4.131 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.373 3.006 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.475 1.923 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 68 8.329 3.910 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.565 6.106 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.120 5.560 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.815 5.435 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.924 4.419 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.181 3.744 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.314 2.684 -1.271 1.00 0.00 H new ATOM 1049 N LEU A 69 9.588 1.857 2.169 1.00 0.00 N ATOM 1050 CA LEU A 69 8.940 1.550 3.478 1.00 0.00 C ATOM 1051 C LEU A 69 9.910 1.854 4.621 1.00 0.00 C ATOM 1052 O LEU A 69 9.700 2.758 5.405 1.00 0.00 O ATOM 1053 CB LEU A 69 8.609 0.061 3.504 1.00 0.00 C ATOM 1054 CG LEU A 69 7.091 -0.191 3.533 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.784 -1.576 2.964 1.00 0.00 C ATOM 1056 CD2 LEU A 69 6.585 -0.150 4.974 1.00 0.00 C ATOM 0 H LEU A 69 9.419 1.166 1.438 1.00 0.00 H new ATOM 0 HA LEU A 69 8.040 2.154 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.040 -0.422 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.070 -0.398 4.379 1.00 0.00 H new ATOM 0 HG LEU A 69 6.601 0.580 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.708 -1.749 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.139 -1.633 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.286 -2.335 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.510 -0.329 4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.088 -0.920 5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.795 0.829 5.406 1.00 0.00 H new ATOM 1068 N LYS A 70 10.964 1.089 4.725 1.00 0.00 N ATOM 1069 CA LYS A 70 11.955 1.309 5.820 1.00 0.00 C ATOM 1070 C LYS A 70 12.222 2.807 6.001 1.00 0.00 C ATOM 1071 O LYS A 70 12.138 3.328 7.096 1.00 0.00 O ATOM 1072 CB LYS A 70 13.266 0.599 5.483 1.00 0.00 C ATOM 1073 CG LYS A 70 14.119 0.488 6.750 1.00 0.00 C ATOM 1074 CD LYS A 70 15.579 0.231 6.373 1.00 0.00 C ATOM 1075 CE LYS A 70 16.364 1.542 6.449 1.00 0.00 C ATOM 1076 NZ LYS A 70 17.782 1.296 6.067 1.00 0.00 N ATOM 0 H LYS A 70 11.183 0.317 4.095 1.00 0.00 H new ATOM 0 HA LYS A 70 11.547 0.904 6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.063 -0.393 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.806 1.152 4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.041 1.406 7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.749 -0.322 7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.015 -0.506 7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.638 -0.183 5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.920 2.283 5.784 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.314 1.950 7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.315 2.187 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.202 0.603 6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.821 0.925 5.096 1.00 0.00 H new ATOM 1090 N THR A 71 12.546 3.509 4.946 1.00 0.00 N ATOM 1091 CA THR A 71 12.814 4.969 5.094 1.00 0.00 C ATOM 1092 C THR A 71 11.672 5.611 5.885 1.00 0.00 C ATOM 1093 O THR A 71 11.884 6.503 6.682 1.00 0.00 O ATOM 1094 CB THR A 71 12.920 5.630 3.715 1.00 0.00 C ATOM 1095 OG1 THR A 71 14.025 5.079 3.014 1.00 0.00 O ATOM 1096 CG2 THR A 71 13.124 7.136 3.885 1.00 0.00 C ATOM 0 H THR A 71 12.636 3.139 4.000 1.00 0.00 H new ATOM 0 HA THR A 71 13.756 5.110 5.624 1.00 0.00 H new ATOM 0 HB THR A 71 12.004 5.450 3.153 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.799 4.177 2.705 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.199 7.606 2.904 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.278 7.559 4.426 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.041 7.318 4.446 1.00 0.00 H new ATOM 1104 N ILE A 72 10.461 5.161 5.681 1.00 0.00 N ATOM 1105 CA ILE A 72 9.318 5.749 6.435 1.00 0.00 C ATOM 1106 C ILE A 72 9.504 5.452 7.925 1.00 0.00 C ATOM 1107 O ILE A 72 9.342 6.313 8.766 1.00 0.00 O ATOM 1108 CB ILE A 72 8.001 5.129 5.958 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.891 5.238 4.431 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.829 5.875 6.593 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.709 4.403 3.916 1.00 0.00 C ATOM 0 H ILE A 72 10.217 4.416 5.029 1.00 0.00 H new ATOM 0 HA ILE A 72 9.287 6.825 6.266 1.00 0.00 H new ATOM 0 HB ILE A 72 7.978 4.079 6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.760 6.281 4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.816 4.894 3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.891 5.435 6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.894 5.799 7.678 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.864 6.924 6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.646 4.492 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.857 3.357 4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.784 4.766 4.364 1.00 0.00 H new ATOM 1123 N ARG A 73 9.842 4.235 8.256 1.00 0.00 N ATOM 1124 CA ARG A 73 10.038 3.878 9.690 1.00 0.00 C ATOM 1125 C ARG A 73 10.986 4.887 10.343 1.00 0.00 C ATOM 1126 O ARG A 73 10.795 5.291 11.472 1.00 0.00 O ATOM 1127 CB ARG A 73 10.635 2.474 9.790 1.00 0.00 C ATOM 1128 CG ARG A 73 9.657 1.557 10.529 1.00 0.00 C ATOM 1129 CD ARG A 73 10.222 0.136 10.579 1.00 0.00 C ATOM 1130 NE ARG A 73 9.200 -0.822 10.071 1.00 0.00 N ATOM 1131 CZ ARG A 73 8.757 -1.775 10.845 1.00 0.00 C ATOM 1132 NH1 ARG A 73 9.560 -2.731 11.227 1.00 0.00 N ATOM 1133 NH2 ARG A 73 7.514 -1.773 11.238 1.00 0.00 N ATOM 0 H ARG A 73 9.991 3.473 7.595 1.00 0.00 H new ATOM 0 HA ARG A 73 9.077 3.900 10.204 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.837 2.081 8.794 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.588 2.509 10.318 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.489 1.928 11.540 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.691 1.557 10.024 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.128 0.072 9.976 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.500 -0.121 11.601 1.00 0.00 H new ATOM 0 HE ARG A 73 8.847 -0.733 9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.533 -2.733 10.921 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.214 -3.476 11.832 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.886 -1.026 10.941 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.169 -2.518 11.843 1.00 0.00 H new ATOM 1147 N ALA A 74 12.005 5.299 9.640 1.00 0.00 N ATOM 1148 CA ALA A 74 12.963 6.283 10.220 1.00 0.00 C ATOM 1149 C ALA A 74 12.203 7.536 10.664 1.00 0.00 C ATOM 1150 O ALA A 74 12.608 8.228 11.577 1.00 0.00 O ATOM 1151 CB ALA A 74 14.002 6.666 9.164 1.00 0.00 C ATOM 0 H ALA A 74 12.216 4.997 8.689 1.00 0.00 H new ATOM 0 HA ALA A 74 13.464 5.838 11.080 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.703 7.386 9.587 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.544 5.775 8.847 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.500 7.111 8.305 1.00 0.00 H new ATOM 1157 N ASP A 75 11.107 7.834 10.022 1.00 0.00 N ATOM 1158 CA ASP A 75 10.323 9.042 10.403 1.00 0.00 C ATOM 1159 C ASP A 75 9.798 8.886 11.832 1.00 0.00 C ATOM 1160 O ASP A 75 8.938 8.071 12.100 1.00 0.00 O ATOM 1161 CB ASP A 75 9.143 9.206 9.443 1.00 0.00 C ATOM 1162 CG ASP A 75 8.933 10.690 9.138 1.00 0.00 C ATOM 1163 OD1 ASP A 75 8.550 11.412 10.044 1.00 0.00 O ATOM 1164 OD2 ASP A 75 9.158 11.079 8.004 1.00 0.00 O ATOM 0 H ASP A 75 10.720 7.292 9.249 1.00 0.00 H new ATOM 0 HA ASP A 75 10.965 9.921 10.348 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.333 8.658 8.520 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.240 8.784 9.885 1.00 0.00 H new ATOM 1169 N GLY A 76 10.306 9.665 12.749 1.00 0.00 N ATOM 1170 CA GLY A 76 9.836 9.564 14.161 1.00 0.00 C ATOM 1171 C GLY A 76 9.775 8.095 14.582 1.00 0.00 C ATOM 1172 O GLY A 76 10.749 7.375 14.495 1.00 0.00 O ATOM 0 H GLY A 76 11.026 10.367 12.581 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.510 10.113 14.819 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.852 10.022 14.260 1.00 0.00 H new ATOM 1176 N ALA A 77 8.637 7.646 15.039 1.00 0.00 N ATOM 1177 CA ALA A 77 8.514 6.225 15.466 1.00 0.00 C ATOM 1178 C ALA A 77 7.101 5.720 15.169 1.00 0.00 C ATOM 1179 O ALA A 77 6.513 5.003 15.954 1.00 0.00 O ATOM 1180 CB ALA A 77 8.789 6.120 16.968 1.00 0.00 C ATOM 0 H ALA A 77 7.788 8.203 15.135 1.00 0.00 H new ATOM 0 HA ALA A 77 9.236 5.618 14.920 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.699 5.080 17.282 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.797 6.477 17.179 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.067 6.728 17.513 1.00 0.00 H new ATOM 1186 N MET A 78 6.555 6.093 14.041 1.00 0.00 N ATOM 1187 CA MET A 78 5.177 5.640 13.680 1.00 0.00 C ATOM 1188 C MET A 78 5.161 5.163 12.226 1.00 0.00 C ATOM 1189 O MET A 78 4.155 4.699 11.727 1.00 0.00 O ATOM 1190 CB MET A 78 4.196 6.803 13.845 1.00 0.00 C ATOM 1191 CG MET A 78 4.966 8.075 14.206 1.00 0.00 C ATOM 1192 SD MET A 78 3.817 9.469 14.330 1.00 0.00 S ATOM 1193 CE MET A 78 3.304 9.516 12.594 1.00 0.00 C ATOM 0 H MET A 78 7.005 6.694 13.351 1.00 0.00 H new ATOM 0 HA MET A 78 4.882 4.820 14.335 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.636 6.954 12.922 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.470 6.572 14.624 1.00 0.00 H new ATOM 0 HG2 MET A 78 5.490 7.938 15.152 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.723 8.281 13.449 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.066 10.542 12.313 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.114 9.146 11.965 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.423 8.889 12.458 1.00 0.00 H new ATOM 1203 N SER A 79 6.268 5.268 11.544 1.00 0.00 N ATOM 1204 CA SER A 79 6.316 4.817 10.125 1.00 0.00 C ATOM 1205 C SER A 79 5.102 5.362 9.370 1.00 0.00 C ATOM 1206 O SER A 79 4.755 6.521 9.492 1.00 0.00 O ATOM 1207 CB SER A 79 6.304 3.290 10.075 1.00 0.00 C ATOM 1208 OG SER A 79 6.816 2.855 8.822 1.00 0.00 O ATOM 0 H SER A 79 7.142 5.647 11.909 1.00 0.00 H new ATOM 0 HA SER A 79 7.228 5.190 9.659 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.906 2.884 10.887 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.289 2.918 10.214 1.00 0.00 H new ATOM 0 HG SER A 79 6.811 1.876 8.789 1.00 0.00 H new ATOM 1214 N ALA A 80 4.461 4.530 8.588 1.00 0.00 N ATOM 1215 CA ALA A 80 3.270 4.980 7.810 1.00 0.00 C ATOM 1216 C ALA A 80 2.094 4.047 8.102 1.00 0.00 C ATOM 1217 O ALA A 80 1.319 3.714 7.226 1.00 0.00 O ATOM 1218 CB ALA A 80 3.597 4.948 6.312 1.00 0.00 C ATOM 0 H ALA A 80 4.715 3.551 8.455 1.00 0.00 H new ATOM 0 HA ALA A 80 3.006 5.997 8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.728 5.277 5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.436 5.613 6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.860 3.932 6.019 1.00 0.00 H new ATOM 1224 N LEU A 81 1.934 3.648 9.335 1.00 0.00 N ATOM 1225 CA LEU A 81 0.804 2.775 9.689 1.00 0.00 C ATOM 1226 C LEU A 81 0.742 1.616 8.641 1.00 0.00 C ATOM 1227 O LEU A 81 1.744 1.382 7.994 1.00 0.00 O ATOM 1228 CB LEU A 81 -0.422 3.690 9.757 1.00 0.00 C ATOM 1229 CG LEU A 81 -0.016 5.077 10.297 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -1.266 5.926 10.563 1.00 0.00 C ATOM 1231 CD2 LEU A 81 0.749 4.917 11.615 1.00 0.00 C ATOM 0 H LEU A 81 2.548 3.897 10.110 1.00 0.00 H new ATOM 0 HA LEU A 81 0.884 2.274 10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.865 3.792 8.766 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.181 3.247 10.402 1.00 0.00 H new ATOM 0 HG LEU A 81 0.613 5.566 9.554 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.968 6.903 10.944 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.824 6.053 9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.895 5.426 11.299 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.033 5.899 11.992 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.113 4.418 12.346 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.645 4.320 11.445 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.351 0.862 8.508 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.363 -0.285 7.564 1.00 0.00 C ATOM 1245 C PRO A 82 -0.041 0.074 6.109 1.00 0.00 C ATOM 1246 O PRO A 82 -0.239 1.181 5.638 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.767 -0.878 7.661 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.543 -0.086 8.735 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.637 1.051 9.227 1.00 0.00 C ATOM 0 HA PRO A 82 0.427 -0.981 7.846 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.275 -0.815 6.699 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.718 -1.934 7.927 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.468 0.315 8.320 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.822 -0.738 9.563 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.072 2.025 9.006 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.495 1.003 10.307 1.00 0.00 H new ATOM 1257 N VAL A 83 0.433 -0.917 5.394 1.00 0.00 N ATOM 1258 CA VAL A 83 0.770 -0.757 3.954 1.00 0.00 C ATOM 1259 C VAL A 83 0.292 -1.986 3.213 1.00 0.00 C ATOM 1260 O VAL A 83 0.529 -3.100 3.637 1.00 0.00 O ATOM 1261 CB VAL A 83 2.291 -0.687 3.753 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.639 -1.137 2.317 1.00 0.00 C ATOM 1263 CG2 VAL A 83 2.789 0.745 3.955 1.00 0.00 C ATOM 0 H VAL A 83 0.603 -1.853 5.763 1.00 0.00 H new ATOM 0 HA VAL A 83 0.302 0.158 3.591 1.00 0.00 H new ATOM 0 HB VAL A 83 2.771 -1.341 4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.718 -1.088 2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.298 -2.161 2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.146 -0.480 1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.869 0.779 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.305 1.404 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.549 1.075 4.966 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.326 -1.796 2.087 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.765 -2.956 1.280 1.00 0.00 C ATOM 1275 C LEU A 84 0.012 -2.939 -0.026 1.00 0.00 C ATOM 1276 O LEU A 84 -0.518 -2.621 -1.072 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.264 -2.867 1.005 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.740 -4.112 0.243 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.506 -5.369 1.085 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.235 -3.981 -0.052 1.00 0.00 C ATOM 0 H LEU A 84 -0.546 -0.882 1.690 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.576 -3.885 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.809 -2.777 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.482 -1.971 0.424 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.179 -4.194 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.848 -6.245 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.442 -5.469 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.061 -5.289 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.578 -4.863 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.785 -3.894 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.410 -3.092 -0.659 1.00 0.00 H new ATOM 1292 N MET A 85 1.276 -3.263 0.020 1.00 0.00 N ATOM 1293 CA MET A 85 2.063 -3.242 -1.231 1.00 0.00 C ATOM 1294 C MET A 85 1.415 -4.204 -2.219 1.00 0.00 C ATOM 1295 O MET A 85 0.638 -5.060 -1.841 1.00 0.00 O ATOM 1296 CB MET A 85 3.525 -3.632 -0.968 1.00 0.00 C ATOM 1297 CG MET A 85 3.613 -5.096 -0.537 1.00 0.00 C ATOM 1298 SD MET A 85 3.618 -6.163 -1.999 1.00 0.00 S ATOM 1299 CE MET A 85 5.140 -7.063 -1.611 1.00 0.00 C ATOM 0 H MET A 85 1.786 -3.537 0.860 1.00 0.00 H new ATOM 0 HA MET A 85 2.069 -2.234 -1.645 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.118 -3.474 -1.869 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.946 -2.991 -0.193 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.519 -5.259 0.047 1.00 0.00 H new ATOM 0 HG3 MET A 85 2.769 -5.347 0.106 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.675 -7.289 -2.534 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.771 -6.450 -0.967 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.892 -7.993 -1.099 1.00 0.00 H new ATOM 1309 N VAL A 86 1.699 -4.044 -3.479 1.00 0.00 N ATOM 1310 CA VAL A 86 1.070 -4.915 -4.508 1.00 0.00 C ATOM 1311 C VAL A 86 2.143 -5.532 -5.406 1.00 0.00 C ATOM 1312 O VAL A 86 3.099 -4.883 -5.779 1.00 0.00 O ATOM 1313 CB VAL A 86 0.132 -4.044 -5.337 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.585 -4.899 -6.372 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.893 -3.390 -4.407 1.00 0.00 C ATOM 0 H VAL A 86 2.344 -3.343 -3.843 1.00 0.00 H new ATOM 0 HA VAL A 86 0.520 -5.728 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 86 0.706 -3.273 -5.851 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.254 -4.272 -6.962 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.148 -5.366 -7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.164 -5.672 -5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.568 -2.765 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.466 -4.164 -3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.376 -2.775 -3.671 1.00 0.00 H new ATOM 1325 N THR A 87 1.998 -6.784 -5.757 1.00 0.00 N ATOM 1326 CA THR A 87 3.022 -7.425 -6.629 1.00 0.00 C ATOM 1327 C THR A 87 2.367 -8.509 -7.486 1.00 0.00 C ATOM 1328 O THR A 87 1.167 -8.700 -7.451 1.00 0.00 O ATOM 1329 CB THR A 87 4.119 -8.047 -5.758 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.082 -8.674 -6.592 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.507 -9.085 -4.816 1.00 0.00 C ATOM 0 H THR A 87 1.221 -7.384 -5.479 1.00 0.00 H new ATOM 0 HA THR A 87 3.462 -6.671 -7.282 1.00 0.00 H new ATOM 0 HB THR A 87 4.598 -7.266 -5.168 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.786 -9.071 -6.038 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.291 -9.524 -4.199 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.768 -8.604 -4.175 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.025 -9.868 -5.401 1.00 0.00 H new ATOM 1339 N ALA A 88 3.153 -9.217 -8.256 1.00 0.00 N ATOM 1340 CA ALA A 88 2.599 -10.295 -9.126 1.00 0.00 C ATOM 1341 C ALA A 88 3.451 -11.557 -8.962 1.00 0.00 C ATOM 1342 O ALA A 88 4.640 -11.485 -8.729 1.00 0.00 O ATOM 1343 CB ALA A 88 2.639 -9.839 -10.586 1.00 0.00 C ATOM 0 H ALA A 88 4.163 -9.092 -8.319 1.00 0.00 H new ATOM 0 HA ALA A 88 1.569 -10.507 -8.841 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.235 -10.625 -11.224 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.041 -8.935 -10.701 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.670 -9.632 -10.874 1.00 0.00 H new ATOM 1349 N GLU A 89 2.853 -12.710 -9.077 1.00 0.00 N ATOM 1350 CA GLU A 89 3.638 -13.969 -8.924 1.00 0.00 C ATOM 1351 C GLU A 89 4.469 -13.893 -7.638 1.00 0.00 C ATOM 1352 O GLU A 89 5.669 -14.084 -7.651 1.00 0.00 O ATOM 1353 CB GLU A 89 4.569 -14.138 -10.127 1.00 0.00 C ATOM 1354 CG GLU A 89 5.091 -15.576 -10.173 1.00 0.00 C ATOM 1355 CD GLU A 89 6.340 -15.640 -11.054 1.00 0.00 C ATOM 1356 OE1 GLU A 89 6.186 -15.802 -12.253 1.00 0.00 O ATOM 1357 OE2 GLU A 89 7.427 -15.526 -10.514 1.00 0.00 O ATOM 0 H GLU A 89 1.859 -12.836 -9.269 1.00 0.00 H new ATOM 0 HA GLU A 89 2.960 -14.820 -8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.036 -13.904 -11.048 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.403 -13.440 -10.056 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.326 -15.921 -9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.322 -16.241 -10.566 1.00 0.00 H new ATOM 1364 N ALA A 90 3.837 -13.614 -6.530 1.00 0.00 N ATOM 1365 CA ALA A 90 4.582 -13.522 -5.241 1.00 0.00 C ATOM 1366 C ALA A 90 5.483 -14.747 -5.076 1.00 0.00 C ATOM 1367 O ALA A 90 5.105 -15.855 -5.401 1.00 0.00 O ATOM 1368 CB ALA A 90 3.585 -13.475 -4.086 1.00 0.00 C ATOM 0 H ALA A 90 2.833 -13.445 -6.462 1.00 0.00 H new ATOM 0 HA ALA A 90 5.193 -12.620 -5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.125 -13.408 -3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.940 -12.604 -4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.977 -14.380 -4.093 1.00 0.00 H new ATOM 1374 N LYS A 91 6.668 -14.559 -4.562 1.00 0.00 N ATOM 1375 CA LYS A 91 7.585 -15.715 -4.367 1.00 0.00 C ATOM 1376 C LYS A 91 7.401 -16.265 -2.951 1.00 0.00 C ATOM 1377 O LYS A 91 6.613 -17.159 -2.721 1.00 0.00 O ATOM 1378 CB LYS A 91 9.034 -15.260 -4.553 1.00 0.00 C ATOM 1379 CG LYS A 91 9.454 -15.487 -6.009 1.00 0.00 C ATOM 1380 CD LYS A 91 10.726 -14.690 -6.323 1.00 0.00 C ATOM 1381 CE LYS A 91 11.925 -15.299 -5.589 1.00 0.00 C ATOM 1382 NZ LYS A 91 12.008 -16.758 -5.883 1.00 0.00 N ATOM 0 H LYS A 91 7.039 -13.655 -4.269 1.00 0.00 H new ATOM 0 HA LYS A 91 7.356 -16.491 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.132 -14.206 -4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.690 -15.815 -3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.629 -16.549 -6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.650 -15.182 -6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.909 -14.691 -7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.596 -13.650 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.844 -14.803 -5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.825 -15.140 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.989 -17.081 -5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.390 -17.280 -5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.703 -16.933 -6.862 1.00 0.00 H new ATOM 1396 N LYS A 92 8.119 -15.730 -1.999 1.00 0.00 N ATOM 1397 CA LYS A 92 7.982 -16.214 -0.596 1.00 0.00 C ATOM 1398 C LYS A 92 8.933 -15.427 0.308 1.00 0.00 C ATOM 1399 O LYS A 92 8.520 -14.575 1.068 1.00 0.00 O ATOM 1400 CB LYS A 92 8.328 -17.707 -0.527 1.00 0.00 C ATOM 1401 CG LYS A 92 7.106 -18.502 -0.056 1.00 0.00 C ATOM 1402 CD LYS A 92 6.802 -18.159 1.404 1.00 0.00 C ATOM 1403 CE LYS A 92 5.310 -17.861 1.557 1.00 0.00 C ATOM 1404 NZ LYS A 92 4.517 -18.959 0.937 1.00 0.00 N ATOM 0 H LYS A 92 8.795 -14.978 -2.134 1.00 0.00 H new ATOM 0 HA LYS A 92 6.955 -16.067 -0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.648 -18.061 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.162 -17.865 0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.245 -18.269 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.294 -19.571 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.086 -18.989 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.390 -17.296 1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.054 -17.764 2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.068 -16.910 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 3.640 -19.102 1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.282 -18.706 -0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.075 -19.837 0.944 1.00 0.00 H new ATOM 1418 N GLU A 93 10.206 -15.708 0.235 1.00 0.00 N ATOM 1419 CA GLU A 93 11.179 -14.979 1.089 1.00 0.00 C ATOM 1420 C GLU A 93 11.045 -13.474 0.851 1.00 0.00 C ATOM 1421 O GLU A 93 11.656 -12.671 1.527 1.00 0.00 O ATOM 1422 CB GLU A 93 12.600 -15.425 0.738 1.00 0.00 C ATOM 1423 CG GLU A 93 12.727 -16.936 0.943 1.00 0.00 C ATOM 1424 CD GLU A 93 14.171 -17.282 1.306 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.965 -17.456 0.396 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.460 -17.366 2.488 1.00 0.00 O ATOM 0 H GLU A 93 10.612 -16.412 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 93 10.976 -15.199 2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.828 -15.167 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.322 -14.901 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.053 -17.264 1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.433 -17.463 0.035 1.00 0.00 H new ATOM 1433 N ASN A 94 10.252 -13.084 -0.109 1.00 0.00 N ATOM 1434 CA ASN A 94 10.082 -11.634 -0.395 1.00 0.00 C ATOM 1435 C ASN A 94 8.924 -11.074 0.433 1.00 0.00 C ATOM 1436 O ASN A 94 8.844 -9.887 0.680 1.00 0.00 O ATOM 1437 CB ASN A 94 9.777 -11.447 -1.882 1.00 0.00 C ATOM 1438 CG ASN A 94 11.086 -11.374 -2.667 1.00 0.00 C ATOM 1439 OD1 ASN A 94 11.802 -10.395 -2.586 1.00 0.00 O ATOM 1440 ND2 ASN A 94 11.433 -12.374 -3.429 1.00 0.00 N ATOM 0 H ASN A 94 9.714 -13.710 -0.708 1.00 0.00 H new ATOM 0 HA ASN A 94 10.999 -11.105 -0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.168 -12.275 -2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.199 -10.536 -2.033 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.305 -12.334 -3.957 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.832 -13.196 -3.497 1.00 0.00 H new ATOM 1447 N ILE A 95 8.021 -11.913 0.859 1.00 0.00 N ATOM 1448 CA ILE A 95 6.867 -11.418 1.662 1.00 0.00 C ATOM 1449 C ILE A 95 7.219 -11.444 3.153 1.00 0.00 C ATOM 1450 O ILE A 95 6.457 -10.993 3.984 1.00 0.00 O ATOM 1451 CB ILE A 95 5.652 -12.315 1.416 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.615 -12.758 -0.052 1.00 0.00 C ATOM 1453 CG2 ILE A 95 4.373 -11.545 1.751 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.767 -11.546 -0.975 1.00 0.00 C ATOM 0 H ILE A 95 8.032 -12.918 0.686 1.00 0.00 H new ATOM 0 HA ILE A 95 6.637 -10.395 1.363 1.00 0.00 H new ATOM 0 HB ILE A 95 5.725 -13.197 2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.415 -13.473 -0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.675 -13.268 -0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.507 -12.184 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.394 -11.242 2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.305 -10.660 1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.739 -11.874 -2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.951 -10.846 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.719 -11.054 -0.775 1.00 0.00 H new ATOM 1466 N ILE A 96 8.360 -11.968 3.501 1.00 0.00 N ATOM 1467 CA ILE A 96 8.741 -12.019 4.942 1.00 0.00 C ATOM 1468 C ILE A 96 9.495 -10.749 5.324 1.00 0.00 C ATOM 1469 O ILE A 96 9.017 -9.943 6.098 1.00 0.00 O ATOM 1470 CB ILE A 96 9.628 -13.238 5.194 1.00 0.00 C ATOM 1471 CG1 ILE A 96 8.763 -14.500 5.209 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.331 -13.087 6.545 1.00 0.00 C ATOM 1473 CD1 ILE A 96 9.662 -15.738 5.165 1.00 0.00 C ATOM 0 H ILE A 96 9.044 -12.362 2.855 1.00 0.00 H new ATOM 0 HA ILE A 96 7.839 -12.095 5.549 1.00 0.00 H new ATOM 0 HB ILE A 96 10.374 -13.316 4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.145 -14.519 6.106 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.086 -14.499 4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.964 -13.956 6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.945 -12.187 6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.586 -13.011 7.337 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.045 -16.636 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.261 -15.720 4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 96 10.321 -15.740 6.033 1.00 0.00 H new ATOM 1485 N ALA A 97 10.669 -10.563 4.791 1.00 0.00 N ATOM 1486 CA ALA A 97 11.454 -9.340 5.123 1.00 0.00 C ATOM 1487 C ALA A 97 10.538 -8.119 5.030 1.00 0.00 C ATOM 1488 O ALA A 97 10.585 -7.227 5.853 1.00 0.00 O ATOM 1489 CB ALA A 97 12.613 -9.187 4.136 1.00 0.00 C ATOM 0 H ALA A 97 11.120 -11.205 4.139 1.00 0.00 H new ATOM 0 HA ALA A 97 11.854 -9.425 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.184 -8.292 4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.262 -10.061 4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.219 -9.099 3.123 1.00 0.00 H new ATOM 1495 N ALA A 98 9.700 -8.083 4.034 1.00 0.00 N ATOM 1496 CA ALA A 98 8.769 -6.932 3.878 1.00 0.00 C ATOM 1497 C ALA A 98 7.896 -6.800 5.129 1.00 0.00 C ATOM 1498 O ALA A 98 7.859 -5.766 5.765 1.00 0.00 O ATOM 1499 CB ALA A 98 7.873 -7.171 2.663 1.00 0.00 C ATOM 0 H ALA A 98 9.619 -8.805 3.318 1.00 0.00 H new ATOM 0 HA ALA A 98 9.345 -6.017 3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.189 -6.331 2.544 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.490 -7.266 1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.300 -8.087 2.808 1.00 0.00 H new ATOM 1505 N ALA A 99 7.185 -7.838 5.481 1.00 0.00 N ATOM 1506 CA ALA A 99 6.307 -7.768 6.679 1.00 0.00 C ATOM 1507 C ALA A 99 7.105 -7.267 7.884 1.00 0.00 C ATOM 1508 O ALA A 99 6.652 -6.420 8.629 1.00 0.00 O ATOM 1509 CB ALA A 99 5.746 -9.160 6.980 1.00 0.00 C ATOM 0 H ALA A 99 7.176 -8.731 4.988 1.00 0.00 H new ATOM 0 HA ALA A 99 5.487 -7.077 6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.102 -9.111 7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.168 -9.512 6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.568 -9.850 7.171 1.00 0.00 H new ATOM 1515 N GLN A 100 8.287 -7.778 8.084 1.00 0.00 N ATOM 1516 CA GLN A 100 9.104 -7.324 9.242 1.00 0.00 C ATOM 1517 C GLN A 100 9.143 -5.796 9.247 1.00 0.00 C ATOM 1518 O GLN A 100 9.299 -5.170 10.277 1.00 0.00 O ATOM 1519 CB GLN A 100 10.525 -7.875 9.117 1.00 0.00 C ATOM 1520 CG GLN A 100 10.825 -8.792 10.306 1.00 0.00 C ATOM 1521 CD GLN A 100 12.205 -9.427 10.127 1.00 0.00 C ATOM 1522 OE1 GLN A 100 13.180 -8.953 10.676 1.00 0.00 O ATOM 1523 NE2 GLN A 100 12.330 -10.489 9.378 1.00 0.00 N ATOM 0 H GLN A 100 8.722 -8.489 7.496 1.00 0.00 H new ATOM 0 HA GLN A 100 8.664 -7.687 10.171 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.631 -8.427 8.183 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.243 -7.055 9.086 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.793 -8.223 11.235 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.063 -9.568 10.381 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.512 -10.887 8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.246 -10.921 9.254 1.00 0.00 H new ATOM 1532 N ALA A 101 8.990 -5.195 8.101 1.00 0.00 N ATOM 1533 CA ALA A 101 9.005 -3.707 8.027 1.00 0.00 C ATOM 1534 C ALA A 101 7.580 -3.188 8.244 1.00 0.00 C ATOM 1535 O ALA A 101 7.004 -3.363 9.298 1.00 0.00 O ATOM 1536 CB ALA A 101 9.516 -3.272 6.650 1.00 0.00 C ATOM 0 H ALA A 101 8.855 -5.671 7.209 1.00 0.00 H new ATOM 0 HA ALA A 101 9.663 -3.299 8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.528 -2.184 6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.526 -3.654 6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.859 -3.668 5.876 1.00 0.00 H new ATOM 1542 N GLY A 102 7.008 -2.567 7.243 1.00 0.00 N ATOM 1543 CA GLY A 102 5.618 -2.046 7.355 1.00 0.00 C ATOM 1544 C GLY A 102 4.779 -2.640 6.222 1.00 0.00 C ATOM 1545 O GLY A 102 3.568 -2.570 6.227 1.00 0.00 O ATOM 0 H GLY A 102 7.455 -2.398 6.342 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.191 -2.313 8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.616 -0.958 7.296 1.00 0.00 H new ATOM 1549 N ALA A 103 5.431 -3.257 5.272 1.00 0.00 N ATOM 1550 CA ALA A 103 4.734 -3.907 4.121 1.00 0.00 C ATOM 1551 C ALA A 103 3.745 -4.964 4.617 1.00 0.00 C ATOM 1552 O ALA A 103 3.255 -5.770 3.851 1.00 0.00 O ATOM 1553 CB ALA A 103 5.773 -4.558 3.219 1.00 0.00 C ATOM 0 H ALA A 103 6.447 -3.340 5.245 1.00 0.00 H new ATOM 0 HA ALA A 103 4.178 -3.151 3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.275 -5.036 2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.462 -3.798 2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.327 -5.307 3.784 1.00 0.00 H new ATOM 1559 N SER A 104 3.501 -4.981 5.895 1.00 0.00 N ATOM 1560 CA SER A 104 2.586 -5.996 6.520 1.00 0.00 C ATOM 1561 C SER A 104 1.490 -6.455 5.551 1.00 0.00 C ATOM 1562 O SER A 104 1.079 -7.598 5.581 1.00 0.00 O ATOM 1563 CB SER A 104 1.917 -5.374 7.746 1.00 0.00 C ATOM 1564 OG SER A 104 2.783 -5.492 8.868 1.00 0.00 O ATOM 0 H SER A 104 3.905 -4.319 6.557 1.00 0.00 H new ATOM 0 HA SER A 104 3.188 -6.863 6.792 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.690 -4.325 7.557 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.970 -5.874 7.950 1.00 0.00 H new ATOM 0 HG SER A 104 2.356 -5.092 9.654 1.00 0.00 H new ATOM 1570 N GLY A 105 1.011 -5.587 4.701 1.00 0.00 N ATOM 1571 CA GLY A 105 -0.062 -5.994 3.748 1.00 0.00 C ATOM 1572 C GLY A 105 0.531 -6.256 2.361 1.00 0.00 C ATOM 1573 O GLY A 105 1.189 -5.414 1.788 1.00 0.00 O ATOM 0 H GLY A 105 1.315 -4.616 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.561 -6.892 4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.819 -5.212 3.686 1.00 0.00 H new ATOM 1577 N TYR A 106 0.281 -7.417 1.811 1.00 0.00 N ATOM 1578 CA TYR A 106 0.799 -7.736 0.448 1.00 0.00 C ATOM 1579 C TYR A 106 -0.258 -8.523 -0.308 1.00 0.00 C ATOM 1580 O TYR A 106 -0.703 -9.562 0.138 1.00 0.00 O ATOM 1581 CB TYR A 106 2.063 -8.593 0.521 1.00 0.00 C ATOM 1582 CG TYR A 106 1.867 -9.822 -0.346 1.00 0.00 C ATOM 1583 CD1 TYR A 106 1.918 -9.727 -1.750 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.621 -11.063 0.254 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.722 -10.869 -2.533 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.429 -12.201 -0.532 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.479 -12.106 -1.923 1.00 0.00 C ATOM 1588 OH TYR A 106 1.281 -13.232 -2.690 1.00 0.00 O ATOM 0 H TYR A 106 -0.262 -8.160 2.250 1.00 0.00 H new ATOM 0 HA TYR A 106 1.033 -6.798 -0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.927 -8.023 0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.262 -8.886 1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.108 -8.774 -2.221 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.580 -11.140 1.330 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.758 -10.797 -3.610 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.242 -13.156 -0.063 1.00 0.00 H new ATOM 0 HH TYR A 106 1.127 -14.003 -2.105 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.647 -8.042 -1.451 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.667 -8.755 -2.260 1.00 0.00 C ATOM 1600 C VAL A 107 -1.090 -9.036 -3.641 1.00 0.00 C ATOM 1601 O VAL A 107 -0.660 -8.140 -4.340 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.906 -7.879 -2.398 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.543 -6.620 -3.189 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.996 -8.658 -3.138 1.00 0.00 C ATOM 0 H VAL A 107 -0.298 -7.177 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.939 -9.692 -1.773 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.273 -7.596 -1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.425 -5.988 -3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.763 -6.071 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.182 -6.903 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.884 -8.034 -3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.635 -8.938 -4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.246 -9.557 -2.575 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.072 -10.272 -4.045 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.519 -10.581 -5.383 1.00 0.00 C ATOM 1616 C VAL A 108 -1.556 -10.184 -6.445 1.00 0.00 C ATOM 1617 O VAL A 108 -2.530 -10.876 -6.665 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.218 -12.082 -5.488 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.515 -12.883 -5.352 1.00 0.00 C ATOM 1620 CG2 VAL A 108 0.428 -12.384 -6.844 1.00 0.00 C ATOM 0 H VAL A 108 -1.413 -11.072 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 108 0.406 -10.026 -5.540 1.00 0.00 H new ATOM 0 HB VAL A 108 0.466 -12.365 -4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.295 -13.948 -5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.972 -12.675 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.204 -12.598 -6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.641 -13.451 -6.916 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.253 -12.095 -7.644 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.357 -11.822 -6.938 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.367 -9.069 -7.095 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.354 -8.631 -8.126 1.00 0.00 C ATOM 1632 C LYS A 109 -2.362 -9.643 -9.283 1.00 0.00 C ATOM 1633 O LYS A 109 -1.407 -10.374 -9.449 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.944 -7.232 -8.626 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.438 -7.273 -10.078 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.930 -5.885 -10.469 1.00 0.00 C ATOM 1637 CE LYS A 109 -0.324 -5.940 -11.872 1.00 0.00 C ATOM 1638 NZ LYS A 109 0.425 -4.680 -12.140 1.00 0.00 N ATOM 0 H LYS A 109 -0.574 -8.442 -6.958 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.358 -8.583 -7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.797 -6.556 -8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.164 -6.829 -7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.639 -8.008 -10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.241 -7.582 -10.748 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.749 -5.166 -10.443 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.183 -5.544 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.343 -6.798 -11.958 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.111 -6.073 -12.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.837 -4.717 -13.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.224 -3.870 -12.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.185 -4.572 -11.439 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.411 -9.640 -10.086 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.601 -8.767 -9.924 1.00 0.00 C ATOM 1654 C PRO A 110 -5.499 -9.284 -8.793 1.00 0.00 C ATOM 1655 O PRO A 110 -5.395 -10.424 -8.383 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.363 -8.906 -11.249 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.586 -9.910 -12.135 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.453 -10.498 -11.281 1.00 0.00 C ATOM 0 HA PRO A 110 -4.318 -7.742 -9.687 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.379 -9.259 -11.071 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.444 -7.940 -11.747 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.248 -10.700 -12.490 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.183 -9.411 -13.016 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.652 -11.537 -11.017 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.503 -10.481 -11.815 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.398 -8.466 -8.307 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.320 -8.926 -7.229 1.00 0.00 C ATOM 1668 C PHE A 111 -8.694 -8.320 -7.432 1.00 0.00 C ATOM 1669 O PHE A 111 -8.860 -7.309 -8.086 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.829 -8.496 -5.841 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.427 -7.038 -5.852 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.400 -6.023 -5.896 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.073 -6.700 -5.835 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -7.001 -4.683 -5.924 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.678 -5.360 -5.867 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.642 -4.352 -5.913 1.00 0.00 C ATOM 0 H PHE A 111 -6.532 -7.501 -8.611 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.355 -10.014 -7.282 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.616 -8.657 -5.104 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.981 -9.111 -5.542 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.450 -6.277 -5.908 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.326 -7.479 -5.797 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.745 -3.901 -5.954 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.629 -5.105 -5.856 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.339 -3.316 -5.940 1.00 0.00 H new ATOM 1686 N THR A 112 -9.668 -8.913 -6.820 1.00 0.00 N ATOM 1687 CA THR A 112 -11.045 -8.375 -6.895 1.00 0.00 C ATOM 1688 C THR A 112 -11.297 -7.648 -5.580 1.00 0.00 C ATOM 1689 O THR A 112 -10.710 -7.979 -4.567 1.00 0.00 O ATOM 1690 CB THR A 112 -12.046 -9.521 -7.055 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.439 -10.580 -7.782 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.278 -9.021 -7.810 1.00 0.00 C ATOM 0 H THR A 112 -9.568 -9.761 -6.262 1.00 0.00 H new ATOM 0 HA THR A 112 -11.161 -7.706 -7.747 1.00 0.00 H new ATOM 0 HB THR A 112 -12.347 -9.882 -6.072 1.00 0.00 H new ATOM 0 HG1 THR A 112 -12.079 -11.316 -7.884 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.991 -9.837 -7.924 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.743 -8.209 -7.251 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.980 -8.660 -8.794 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.142 -6.662 -5.568 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.386 -5.941 -4.292 1.00 0.00 C ATOM 1702 C ALA A 113 -12.680 -6.962 -3.197 1.00 0.00 C ATOM 1703 O ALA A 113 -12.641 -6.655 -2.024 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.571 -4.987 -4.451 1.00 0.00 C ATOM 0 H ALA A 113 -12.669 -6.326 -6.374 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.505 -5.359 -4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.744 -4.462 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.353 -4.263 -5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.462 -5.555 -4.719 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.950 -8.183 -3.568 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.214 -9.222 -2.541 1.00 0.00 C ATOM 1712 C ALA A 114 -11.877 -9.663 -1.952 1.00 0.00 C ATOM 1713 O ALA A 114 -11.742 -9.836 -0.757 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.923 -10.418 -3.182 1.00 0.00 C ATOM 0 H ALA A 114 -12.999 -8.503 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.854 -8.821 -1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.114 -11.177 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.869 -10.091 -3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.292 -10.838 -3.965 1.00 0.00 H new ATOM 1720 N THR A 115 -10.875 -9.820 -2.778 1.00 0.00 N ATOM 1721 CA THR A 115 -9.548 -10.218 -2.243 1.00 0.00 C ATOM 1722 C THR A 115 -8.988 -9.041 -1.450 1.00 0.00 C ATOM 1723 O THR A 115 -8.782 -9.145 -0.256 1.00 0.00 O ATOM 1724 CB THR A 115 -8.597 -10.584 -3.382 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.215 -10.286 -4.623 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.276 -12.077 -3.316 1.00 0.00 C ATOM 0 H THR A 115 -10.921 -9.690 -3.789 1.00 0.00 H new ATOM 0 HA THR A 115 -9.653 -11.093 -1.602 1.00 0.00 H new ATOM 0 HB THR A 115 -7.675 -10.011 -3.288 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.579 -11.108 -5.013 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.598 -12.340 -4.128 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.804 -12.306 -2.361 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.197 -12.652 -3.413 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.754 -7.908 -2.080 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.234 -6.752 -1.297 1.00 0.00 C ATOM 1736 C LEU A 116 -9.091 -6.576 -0.035 1.00 0.00 C ATOM 1737 O LEU A 116 -8.587 -6.257 1.025 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.305 -5.479 -2.141 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.011 -4.671 -1.954 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.831 -5.404 -2.601 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.158 -3.294 -2.605 1.00 0.00 C ATOM 0 H LEU A 116 -8.898 -7.743 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.197 -6.938 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.439 -5.733 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.167 -4.881 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.826 -4.556 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.920 -4.822 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.711 -6.382 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.021 -5.530 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.237 -2.727 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.356 -3.414 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.986 -2.759 -2.141 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.384 -6.784 -0.132 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.250 -6.628 1.067 1.00 0.00 C ATOM 1755 C GLU A 117 -10.811 -7.613 2.150 1.00 0.00 C ATOM 1756 O GLU A 117 -10.501 -7.232 3.261 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.711 -6.900 0.694 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.531 -7.169 1.961 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.126 -6.185 3.062 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -13.106 -4.997 2.790 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -12.844 -6.638 4.158 1.00 0.00 O ATOM 0 H GLU A 117 -10.869 -7.053 -0.988 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.158 -5.609 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.124 -6.046 0.158 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.771 -7.757 0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -14.595 -7.069 1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.370 -8.193 2.299 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.785 -8.876 1.832 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.369 -9.894 2.838 1.00 0.00 C ATOM 1770 C GLU A 118 -9.101 -9.418 3.549 1.00 0.00 C ATOM 1771 O GLU A 118 -9.113 -9.120 4.726 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.092 -11.225 2.132 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.584 -12.381 3.005 1.00 0.00 C ATOM 1774 CD GLU A 118 -12.108 -12.475 2.912 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -12.720 -11.499 2.510 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -12.638 -13.523 3.244 1.00 0.00 O ATOM 0 H GLU A 118 -11.034 -9.249 0.916 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.165 -10.031 3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.595 -11.247 1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.024 -11.331 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.130 -13.317 2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.281 -12.224 4.040 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.010 -9.338 2.840 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.739 -8.877 3.470 1.00 0.00 C ATOM 1785 C LYS A 119 -7.008 -7.617 4.298 1.00 0.00 C ATOM 1786 O LYS A 119 -6.309 -7.328 5.250 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.717 -8.570 2.369 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.562 -9.581 2.427 1.00 0.00 C ATOM 1789 CD LYS A 119 -3.774 -9.557 1.116 1.00 0.00 C ATOM 1790 CE LYS A 119 -4.060 -10.844 0.338 1.00 0.00 C ATOM 1791 NZ LYS A 119 -3.427 -11.996 1.041 1.00 0.00 N ATOM 0 H LYS A 119 -7.942 -9.572 1.850 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.345 -9.655 4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.199 -8.612 1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.332 -7.558 2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.902 -9.343 3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.954 -10.582 2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.057 -8.688 0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.707 -9.470 1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.135 -11.001 0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.670 -10.763 -0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.210 -12.746 0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.548 -11.682 1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.081 -12.365 1.761 1.00 0.00 H new ATOM 1805 N LEU A 120 -8.018 -6.870 3.951 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.331 -5.636 4.725 1.00 0.00 C ATOM 1807 C LEU A 120 -8.819 -6.037 6.127 1.00 0.00 C ATOM 1808 O LEU A 120 -8.089 -5.944 7.091 1.00 0.00 O ATOM 1809 CB LEU A 120 -9.419 -4.834 3.975 1.00 0.00 C ATOM 1810 CG LEU A 120 -9.154 -3.314 4.017 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -9.186 -2.804 5.459 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -7.795 -2.984 3.392 1.00 0.00 C ATOM 0 H LEU A 120 -8.640 -7.060 3.165 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.443 -5.012 4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.462 -5.165 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.393 -5.044 4.417 1.00 0.00 H new ATOM 0 HG LEU A 120 -9.939 -2.821 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -8.997 -1.731 5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.165 -3.005 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.419 -3.313 6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -7.628 -1.908 3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -7.007 -3.494 3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -7.782 -3.315 2.354 1.00 0.00 H new ATOM 1824 N ASN A 121 -10.036 -6.481 6.250 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.554 -6.876 7.593 1.00 0.00 C ATOM 1826 C ASN A 121 -9.610 -7.881 8.260 1.00 0.00 C ATOM 1827 O ASN A 121 -9.652 -8.077 9.458 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.937 -7.510 7.435 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.984 -6.635 8.126 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.722 -7.103 8.971 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.082 -5.375 7.801 1.00 0.00 N ATOM 0 H ASN A 121 -10.697 -6.589 5.481 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.619 -5.986 8.219 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -12.180 -7.619 6.378 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.941 -8.510 7.868 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -13.777 -4.784 8.256 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -12.463 -4.982 7.092 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.767 -8.528 7.504 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.842 -9.523 8.119 1.00 0.00 C ATOM 1840 C LYS A 122 -6.626 -8.806 8.714 1.00 0.00 C ATOM 1841 O LYS A 122 -5.971 -9.315 9.602 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.376 -10.524 7.056 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.204 -11.911 7.685 1.00 0.00 C ATOM 1844 CD LYS A 122 -8.544 -12.653 7.662 1.00 0.00 C ATOM 1845 CE LYS A 122 -8.403 -13.991 8.391 1.00 0.00 C ATOM 1846 NZ LYS A 122 -9.372 -14.045 9.522 1.00 0.00 N ATOM 0 H LYS A 122 -8.678 -8.413 6.494 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.369 -10.055 8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -8.102 -10.571 6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.433 -10.193 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.452 -12.479 7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.847 -11.815 8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -9.315 -12.047 8.139 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -8.861 -12.820 6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.587 -14.814 7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -7.386 -14.109 8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -9.277 -14.954 10.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -9.176 -13.267 10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -10.340 -13.951 9.154 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.315 -7.631 8.237 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.136 -6.900 8.787 1.00 0.00 C ATOM 1862 C ILE A 123 -5.566 -6.023 9.963 1.00 0.00 C ATOM 1863 O ILE A 123 -4.874 -5.924 10.957 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.528 -6.016 7.695 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.599 -6.869 6.823 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.730 -4.877 8.347 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.120 -6.060 5.613 1.00 0.00 C ATOM 0 H ILE A 123 -6.822 -7.148 7.495 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.397 -7.625 9.130 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.319 -5.590 7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.743 -7.202 7.409 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.123 -7.764 6.487 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.296 -4.246 7.571 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.394 -4.279 8.972 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.933 -5.296 8.961 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.461 -6.676 5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.980 -5.749 5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.578 -5.179 5.956 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.692 -5.373 9.860 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.138 -4.496 10.972 1.00 0.00 C ATOM 1881 C PHE A 124 -7.437 -5.335 12.210 1.00 0.00 C ATOM 1882 O PHE A 124 -7.691 -4.812 13.277 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.371 -3.713 10.538 1.00 0.00 C ATOM 1884 CG PHE A 124 -7.923 -2.612 9.611 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.429 -2.936 8.347 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -7.984 -1.273 10.016 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.999 -1.932 7.482 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.550 -0.263 9.148 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.058 -0.595 7.879 1.00 0.00 C ATOM 0 H PHE A 124 -7.319 -5.412 9.056 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.345 -3.791 11.222 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.081 -4.369 10.035 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -8.882 -3.296 11.406 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.380 -3.970 8.038 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.364 -1.020 10.995 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.620 -2.188 6.504 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -7.595 0.771 9.457 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.725 0.183 7.208 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.377 -6.632 12.093 1.00 0.00 N ATOM 1900 CA GLU A 125 -7.622 -7.480 13.287 1.00 0.00 C ATOM 1901 C GLU A 125 -6.464 -7.249 14.251 1.00 0.00 C ATOM 1902 O GLU A 125 -6.595 -7.378 15.451 1.00 0.00 O ATOM 1903 CB GLU A 125 -7.679 -8.954 12.879 1.00 0.00 C ATOM 1904 CG GLU A 125 -7.938 -9.816 14.116 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.128 -10.741 13.855 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -10.194 -10.233 13.546 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -8.955 -11.944 13.970 1.00 0.00 O ATOM 0 H GLU A 125 -7.171 -7.136 11.230 1.00 0.00 H new ATOM 0 HA GLU A 125 -8.572 -7.223 13.756 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.468 -9.108 12.143 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.741 -9.248 12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -7.052 -10.405 14.354 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -8.140 -9.181 14.979 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.330 -6.877 13.719 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.151 -6.597 14.576 1.00 0.00 C ATOM 1916 C LYS A 126 -4.172 -5.112 14.937 1.00 0.00 C ATOM 1917 O LYS A 126 -3.817 -4.719 16.030 1.00 0.00 O ATOM 1918 CB LYS A 126 -2.870 -6.927 13.808 1.00 0.00 C ATOM 1919 CG LYS A 126 -2.786 -8.438 13.581 1.00 0.00 C ATOM 1920 CD LYS A 126 -1.692 -9.029 14.472 1.00 0.00 C ATOM 1921 CE LYS A 126 -1.647 -10.547 14.283 1.00 0.00 C ATOM 1922 NZ LYS A 126 -0.639 -11.134 15.212 1.00 0.00 N ATOM 0 H LYS A 126 -5.173 -6.755 12.719 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.182 -7.205 15.480 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -2.862 -6.404 12.852 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.000 -6.584 14.367 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -3.745 -8.904 13.807 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -2.569 -8.647 12.534 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -0.726 -8.591 14.220 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -1.888 -8.787 15.517 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -2.630 -10.978 14.476 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -1.391 -10.788 13.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.608 -12.166 15.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 0.298 -10.731 15.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.903 -10.915 16.194 1.00 0.00 H new ATOM 1936 N LEU A 127 -4.611 -4.285 14.023 1.00 0.00 N ATOM 1937 CA LEU A 127 -4.683 -2.825 14.309 1.00 0.00 C ATOM 1938 C LEU A 127 -5.828 -2.590 15.298 1.00 0.00 C ATOM 1939 O LEU A 127 -5.840 -1.628 16.038 1.00 0.00 O ATOM 1940 CB LEU A 127 -4.948 -2.056 12.998 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.244 -0.689 13.015 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.688 0.115 14.238 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -2.722 -0.879 13.050 1.00 0.00 C ATOM 0 H LEU A 127 -4.922 -4.560 13.091 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.744 -2.471 14.735 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.594 -2.642 12.150 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.021 -1.916 12.864 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.516 -0.146 12.110 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.184 1.081 14.241 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -5.766 0.269 14.201 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.431 -0.431 15.146 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.234 0.096 13.062 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -2.445 -1.434 13.946 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.404 -1.433 12.167 1.00 0.00 H new ATOM 1955 N GLY A 128 -6.785 -3.481 15.326 1.00 0.00 N ATOM 1956 CA GLY A 128 -7.924 -3.326 16.274 1.00 0.00 C ATOM 1957 C GLY A 128 -8.646 -2.004 16.013 1.00 0.00 C ATOM 1958 O GLY A 128 -8.327 -0.988 16.602 1.00 0.00 O ATOM 0 H GLY A 128 -6.825 -4.309 14.732 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.619 -4.158 16.159 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.560 -3.354 17.301 1.00 0.00 H new ATOM 1962 N MET A 129 -9.620 -2.014 15.138 1.00 0.00 N ATOM 1963 CA MET A 129 -10.382 -0.767 14.828 1.00 0.00 C ATOM 1964 C MET A 129 -11.872 -1.003 15.086 1.00 0.00 C ATOM 1965 O MET A 129 -12.433 -0.288 15.899 1.00 0.00 O ATOM 1966 CB MET A 129 -10.174 -0.398 13.360 1.00 0.00 C ATOM 1967 CG MET A 129 -9.171 0.753 13.260 1.00 0.00 C ATOM 1968 SD MET A 129 -9.917 2.261 13.928 1.00 0.00 S ATOM 1969 CE MET A 129 -8.620 2.643 15.131 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.426 -1.894 14.463 1.00 0.00 O ATOM 0 H MET A 129 -9.922 -2.840 14.621 1.00 0.00 H new ATOM 0 HA MET A 129 -10.027 0.045 15.463 1.00 0.00 H new ATOM 0 HB2 MET A 129 -9.809 -1.262 12.805 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.123 -0.108 12.909 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.263 0.508 13.812 1.00 0.00 H new ATOM 0 HG3 MET A 129 -8.880 0.907 12.221 1.00 0.00 H new ATOM 0 HE1 MET A 129 -8.879 3.555 15.668 1.00 0.00 H new ATOM 0 HE2 MET A 129 -8.526 1.819 15.839 1.00 0.00 H new ATOM 0 HE3 MET A 129 -7.672 2.785 14.612 1.00 0.00 H new TER 1980 MET A 129