USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=23 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 56 SER OG : rot 130:sc= -0.641 USER MOD Set 1.2: A 85 MET CE :methyl -165:sc= -2.57 (180deg=-3.56!) USER MOD Set 2.1: A 17 MET CE :methyl 180:sc=-0.00163 (180deg=-0.00163) USER MOD Set 2.2: A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -128:sc= -0.0863 (180deg=-2.52!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.146) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.254 F(o=-3.7!,f=-0.25) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.322 F(o=-2.6!,f=-0.32) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 45 LYS NZ :NH3+ -113:sc= 0.508 (180deg=-0.0276) USER MOD Single : A 47 GLN : amide:sc= -5.74! C(o=-5.7!,f=-6.1!) USER MOD Single : A 51 TYR OH : rot -141:sc= -1.6! USER MOD Single : A 59 ASN :FLIP amide:sc= -5.46! C(o=-9!,f=-5.5!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.06 X(o=-2.1,f=-1.9!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.126) USER MOD Single : A 71 THR OG1 : rot 90:sc= 0.944 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 62:sc= 0.775 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -148:sc= -0.0579 (180deg=-0.566) USER MOD Single : A 92 LYS NZ :NH3+ 134:sc= -1.14 (180deg=-3.04!) USER MOD Single : A 94 ASN : amide:sc= -4.95! C(o=-5!,f=-7.3!) USER MOD Single : A 100 GLN : amide:sc= -0.0979 X(o=-0.098,f=0) USER MOD Single : A 104 SER OG : rot 134:sc= -1.57 USER MOD Single : A 106 TYR OH : rot -120:sc= -5.41! USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.496 USER MOD Single : A 115 THR OG1 : rot -170:sc= -1.47 USER MOD Single : A 119 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.165) USER MOD Single : A 121 ASN :FLIP amide:sc= -0.0358 F(o=-0.63,f=-0.036) 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 -14.522 -0.248 9.274 1.00 0.00 N ATOM 2 CA ALA A 2 -13.346 0.664 9.342 1.00 0.00 C ATOM 3 C ALA A 2 -13.720 2.025 8.750 1.00 0.00 C ATOM 4 O ALA A 2 -14.528 2.118 7.848 1.00 0.00 O ATOM 5 CB ALA A 2 -12.185 0.064 8.544 1.00 0.00 C ATOM 0 HA ALA A 2 -13.045 0.789 10.382 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.325 0.732 8.594 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.917 -0.905 8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.485 -0.063 7.504 1.00 0.00 H new ATOM 11 N ASP A 3 -13.135 3.079 9.252 1.00 0.00 N ATOM 12 CA ASP A 3 -13.448 4.436 8.720 1.00 0.00 C ATOM 13 C ASP A 3 -13.437 4.398 7.192 1.00 0.00 C ATOM 14 O ASP A 3 -12.393 4.399 6.583 1.00 0.00 O ATOM 15 CB ASP A 3 -12.379 5.421 9.204 1.00 0.00 C ATOM 16 CG ASP A 3 -13.008 6.425 10.172 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.786 7.249 9.719 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.703 6.353 11.351 1.00 0.00 O ATOM 0 H ASP A 3 -12.452 3.058 10.009 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.431 4.750 9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.570 4.882 9.698 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.941 5.945 8.354 1.00 0.00 H new ATOM 23 N LYS A 4 -14.585 4.373 6.562 1.00 0.00 N ATOM 24 CA LYS A 4 -14.618 4.334 5.068 1.00 0.00 C ATOM 25 C LYS A 4 -14.125 5.667 4.500 1.00 0.00 C ATOM 26 O LYS A 4 -14.467 6.052 3.401 1.00 0.00 O ATOM 27 CB LYS A 4 -16.042 4.060 4.577 1.00 0.00 C ATOM 28 CG LYS A 4 -17.055 4.663 5.550 1.00 0.00 C ATOM 29 CD LYS A 4 -18.421 4.751 4.868 1.00 0.00 C ATOM 30 CE LYS A 4 -18.541 6.087 4.134 1.00 0.00 C ATOM 31 NZ LYS A 4 -19.502 5.948 3.003 1.00 0.00 N ATOM 0 H LYS A 4 -15.498 4.378 7.016 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.964 3.532 4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.181 4.486 3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.205 2.986 4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.123 4.049 6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.728 5.654 5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.542 3.926 4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.215 4.658 5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.881 6.862 4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.565 6.398 3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.584 6.856 2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.159 5.220 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.434 5.670 3.372 1.00 0.00 H new ATOM 45 N GLU A 5 -13.309 6.362 5.238 1.00 0.00 N ATOM 46 CA GLU A 5 -12.761 7.655 4.759 1.00 0.00 C ATOM 47 C GLU A 5 -11.269 7.660 5.062 1.00 0.00 C ATOM 48 O GLU A 5 -10.693 8.674 5.405 1.00 0.00 O ATOM 49 CB GLU A 5 -13.439 8.812 5.498 1.00 0.00 C ATOM 50 CG GLU A 5 -14.946 8.776 5.236 1.00 0.00 C ATOM 51 CD GLU A 5 -15.564 10.117 5.636 1.00 0.00 C ATOM 52 OE1 GLU A 5 -15.391 11.071 4.896 1.00 0.00 O ATOM 53 OE2 GLU A 5 -16.197 10.166 6.677 1.00 0.00 O ATOM 0 H GLU A 5 -12.995 6.083 6.167 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.940 7.775 3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.244 8.737 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.024 9.763 5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.138 8.574 4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.406 7.967 5.804 1.00 0.00 H new ATOM 60 N LEU A 6 -10.636 6.521 4.952 1.00 0.00 N ATOM 61 CA LEU A 6 -9.192 6.450 5.248 1.00 0.00 C ATOM 62 C LEU A 6 -8.421 6.878 3.996 1.00 0.00 C ATOM 63 O LEU A 6 -8.773 6.521 2.892 1.00 0.00 O ATOM 64 CB LEU A 6 -8.872 5.012 5.674 1.00 0.00 C ATOM 65 CG LEU A 6 -7.420 4.863 6.145 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.125 5.839 7.279 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.214 3.444 6.662 1.00 0.00 C ATOM 0 H LEU A 6 -11.066 5.640 4.669 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.900 7.118 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.546 4.713 6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.053 4.337 4.837 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.753 5.072 5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.091 5.720 7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.281 6.860 6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.792 5.636 8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.184 3.326 7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.893 3.258 7.494 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.417 2.732 5.862 1.00 0.00 H new ATOM 79 N LYS A 7 -7.407 7.689 4.148 1.00 0.00 N ATOM 80 CA LYS A 7 -6.662 8.180 2.954 1.00 0.00 C ATOM 81 C LYS A 7 -5.599 7.170 2.509 1.00 0.00 C ATOM 82 O LYS A 7 -4.795 6.697 3.298 1.00 0.00 O ATOM 83 CB LYS A 7 -5.992 9.509 3.295 1.00 0.00 C ATOM 84 CG LYS A 7 -7.018 10.639 3.195 1.00 0.00 C ATOM 85 CD LYS A 7 -6.369 11.957 3.623 1.00 0.00 C ATOM 86 CE LYS A 7 -6.687 12.226 5.094 1.00 0.00 C ATOM 87 NZ LYS A 7 -5.853 13.360 5.583 1.00 0.00 N ATOM 0 H LYS A 7 -7.064 8.031 5.046 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.368 8.312 2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.575 9.470 4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.162 9.696 2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.388 10.719 2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.877 10.422 3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.290 11.908 3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.739 12.775 3.004 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.745 12.461 5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.491 11.334 5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.359 13.077 6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.155 13.616 4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.463 14.179 5.782 1.00 0.00 H new ATOM 101 N PHE A 8 -5.596 6.848 1.238 1.00 0.00 N ATOM 102 CA PHE A 8 -4.607 5.883 0.696 1.00 0.00 C ATOM 103 C PHE A 8 -3.664 6.596 -0.262 1.00 0.00 C ATOM 104 O PHE A 8 -3.989 7.616 -0.825 1.00 0.00 O ATOM 105 CB PHE A 8 -5.334 4.805 -0.112 1.00 0.00 C ATOM 106 CG PHE A 8 -6.206 3.972 0.786 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.347 4.537 1.345 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.871 2.642 1.065 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.157 3.780 2.186 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.688 1.879 1.911 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.831 2.452 2.473 1.00 0.00 C ATOM 0 H PHE A 8 -6.249 7.222 0.549 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.058 5.446 1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.941 5.271 -0.888 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.607 4.168 -0.616 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.604 5.563 1.127 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.985 2.204 0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.042 4.221 2.619 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.434 0.852 2.127 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.462 1.870 3.128 1.00 0.00 H new ATOM 121 N LEU A 9 -2.510 6.046 -0.474 1.00 0.00 N ATOM 122 CA LEU A 9 -1.566 6.661 -1.441 1.00 0.00 C ATOM 123 C LEU A 9 -1.044 5.546 -2.349 1.00 0.00 C ATOM 124 O LEU A 9 -0.304 4.682 -1.925 1.00 0.00 O ATOM 125 CB LEU A 9 -0.428 7.356 -0.692 1.00 0.00 C ATOM 126 CG LEU A 9 0.898 7.314 -1.484 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.725 7.754 -2.943 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.896 8.265 -0.831 1.00 0.00 C ATOM 0 H LEU A 9 -2.176 5.196 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.062 7.421 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.702 8.393 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.287 6.878 0.277 1.00 0.00 H new ATOM 0 HG LEU A 9 1.247 6.281 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.687 7.706 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.016 7.093 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.349 8.777 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.835 8.242 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.494 9.278 -0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.073 7.955 0.199 1.00 0.00 H new ATOM 140 N VAL A 10 -1.467 5.529 -3.587 1.00 0.00 N ATOM 141 CA VAL A 10 -1.035 4.436 -4.504 1.00 0.00 C ATOM 142 C VAL A 10 0.218 4.848 -5.282 1.00 0.00 C ATOM 143 O VAL A 10 0.171 5.695 -6.149 1.00 0.00 O ATOM 144 CB VAL A 10 -2.175 4.124 -5.480 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.180 3.185 -4.809 1.00 0.00 C ATOM 146 CG2 VAL A 10 -2.890 5.418 -5.875 1.00 0.00 C ATOM 0 H VAL A 10 -2.091 6.223 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.796 3.550 -3.916 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.761 3.650 -6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.991 2.963 -5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.680 2.258 -4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.586 3.664 -3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.699 5.189 -6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.300 5.894 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.181 6.094 -6.354 1.00 0.00 H new ATOM 156 N VAL A 11 1.340 4.245 -4.988 1.00 0.00 N ATOM 157 CA VAL A 11 2.584 4.601 -5.716 1.00 0.00 C ATOM 158 C VAL A 11 2.726 3.709 -6.952 1.00 0.00 C ATOM 159 O VAL A 11 3.272 2.626 -6.888 1.00 0.00 O ATOM 160 CB VAL A 11 3.802 4.408 -4.806 1.00 0.00 C ATOM 161 CG1 VAL A 11 5.073 4.793 -5.569 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.667 5.296 -3.570 1.00 0.00 C ATOM 0 H VAL A 11 1.444 3.523 -4.275 1.00 0.00 H new ATOM 0 HA VAL A 11 2.529 5.646 -6.021 1.00 0.00 H new ATOM 0 HB VAL A 11 3.860 3.364 -4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.940 4.656 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.174 4.160 -6.451 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.011 5.837 -5.877 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.535 5.156 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.607 6.340 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.763 5.026 -3.025 1.00 0.00 H new ATOM 172 N ASP A 12 2.239 4.159 -8.078 1.00 0.00 N ATOM 173 CA ASP A 12 2.345 3.339 -9.320 1.00 0.00 C ATOM 174 C ASP A 12 2.551 4.260 -10.526 1.00 0.00 C ATOM 175 O ASP A 12 2.122 5.397 -10.528 1.00 0.00 O ATOM 176 CB ASP A 12 1.060 2.531 -9.512 1.00 0.00 C ATOM 177 CG ASP A 12 1.045 1.926 -10.918 1.00 0.00 C ATOM 178 OD1 ASP A 12 0.589 2.599 -11.827 1.00 0.00 O ATOM 179 OD2 ASP A 12 1.490 0.798 -11.060 1.00 0.00 O ATOM 0 H ASP A 12 1.772 5.059 -8.191 1.00 0.00 H new ATOM 0 HA ASP A 12 3.192 2.659 -9.232 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.999 1.741 -8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.190 3.172 -9.371 1.00 0.00 H new ATOM 184 N ASP A 13 3.205 3.774 -11.547 1.00 0.00 N ATOM 185 CA ASP A 13 3.445 4.614 -12.758 1.00 0.00 C ATOM 186 C ASP A 13 2.432 4.249 -13.846 1.00 0.00 C ATOM 187 O ASP A 13 2.011 5.085 -14.620 1.00 0.00 O ATOM 188 CB ASP A 13 4.861 4.360 -13.278 1.00 0.00 C ATOM 189 CG ASP A 13 4.885 3.055 -14.075 1.00 0.00 C ATOM 190 OD1 ASP A 13 4.583 3.099 -15.256 1.00 0.00 O ATOM 191 OD2 ASP A 13 5.206 2.033 -13.492 1.00 0.00 O ATOM 0 H ASP A 13 3.585 2.829 -11.595 1.00 0.00 H new ATOM 0 HA ASP A 13 3.333 5.666 -12.497 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.183 5.189 -13.908 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.561 4.303 -12.445 1.00 0.00 H new ATOM 196 N PHE A 14 2.041 3.005 -13.913 1.00 0.00 N ATOM 197 CA PHE A 14 1.059 2.588 -14.955 1.00 0.00 C ATOM 198 C PHE A 14 -0.104 3.583 -14.992 1.00 0.00 C ATOM 199 O PHE A 14 -0.660 3.942 -13.974 1.00 0.00 O ATOM 200 CB PHE A 14 0.525 1.193 -14.624 1.00 0.00 C ATOM 201 CG PHE A 14 0.791 0.266 -15.787 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.120 0.460 -17.001 1.00 0.00 C ATOM 203 CD2 PHE A 14 1.706 -0.786 -15.653 1.00 0.00 C ATOM 204 CE1 PHE A 14 0.365 -0.398 -18.081 1.00 0.00 C ATOM 205 CE2 PHE A 14 1.949 -1.643 -16.733 1.00 0.00 C ATOM 206 CZ PHE A 14 1.279 -1.450 -17.946 1.00 0.00 C ATOM 0 H PHE A 14 2.358 2.260 -13.292 1.00 0.00 H new ATOM 0 HA PHE A 14 1.551 2.569 -15.928 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.006 0.812 -13.723 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.545 1.240 -14.419 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.586 1.271 -17.104 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.224 -0.936 -14.717 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.151 -0.248 -19.018 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.655 -2.454 -16.630 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.467 -2.112 -18.778 1.00 0.00 H new ATOM 216 N SER A 15 -0.475 4.029 -16.160 1.00 0.00 N ATOM 217 CA SER A 15 -1.601 4.999 -16.265 1.00 0.00 C ATOM 218 C SER A 15 -2.926 4.236 -16.330 1.00 0.00 C ATOM 219 O SER A 15 -3.903 4.715 -16.872 1.00 0.00 O ATOM 220 CB SER A 15 -1.435 5.841 -17.530 1.00 0.00 C ATOM 221 OG SER A 15 -1.116 4.987 -18.622 1.00 0.00 O ATOM 0 H SER A 15 -0.047 3.764 -17.047 1.00 0.00 H new ATOM 0 HA SER A 15 -1.599 5.652 -15.393 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.353 6.390 -17.739 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.646 6.580 -17.388 1.00 0.00 H new ATOM 0 HG SER A 15 -1.010 5.522 -19.436 1.00 0.00 H new ATOM 227 N THR A 16 -2.966 3.052 -15.782 1.00 0.00 N ATOM 228 CA THR A 16 -4.227 2.257 -15.811 1.00 0.00 C ATOM 229 C THR A 16 -4.331 1.429 -14.530 1.00 0.00 C ATOM 230 O THR A 16 -5.407 1.049 -14.111 1.00 0.00 O ATOM 231 CB THR A 16 -4.213 1.323 -17.024 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.546 0.955 -17.349 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.400 0.071 -16.697 1.00 0.00 C ATOM 0 H THR A 16 -2.179 2.601 -15.315 1.00 0.00 H new ATOM 0 HA THR A 16 -5.082 2.929 -15.882 1.00 0.00 H new ATOM 0 HB THR A 16 -3.759 1.834 -17.873 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.540 0.358 -18.126 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.391 -0.593 -17.561 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.378 0.356 -16.447 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.851 -0.444 -15.849 1.00 0.00 H new ATOM 241 N MET A 17 -3.223 1.149 -13.903 1.00 0.00 N ATOM 242 CA MET A 17 -3.258 0.347 -12.648 1.00 0.00 C ATOM 243 C MET A 17 -3.981 1.143 -11.559 1.00 0.00 C ATOM 244 O MET A 17 -4.836 0.631 -10.866 1.00 0.00 O ATOM 245 CB MET A 17 -1.827 0.047 -12.196 1.00 0.00 C ATOM 246 CG MET A 17 -1.846 -0.497 -10.767 1.00 0.00 C ATOM 247 SD MET A 17 -0.268 -1.306 -10.407 1.00 0.00 S ATOM 248 CE MET A 17 -0.742 -2.024 -8.815 1.00 0.00 C ATOM 0 H MET A 17 -2.294 1.441 -14.205 1.00 0.00 H new ATOM 0 HA MET A 17 -3.786 -0.590 -12.827 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.367 -0.679 -12.867 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.222 0.952 -12.244 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.020 0.314 -10.060 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.666 -1.206 -10.647 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.099 -2.580 -8.402 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.024 -1.228 -8.126 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.588 -2.697 -8.957 1.00 0.00 H new ATOM 258 N ARG A 18 -3.642 2.392 -11.405 1.00 0.00 N ATOM 259 CA ARG A 18 -4.307 3.225 -10.363 1.00 0.00 C ATOM 260 C ARG A 18 -5.807 3.199 -10.578 1.00 0.00 C ATOM 261 O ARG A 18 -6.583 3.334 -9.652 1.00 0.00 O ATOM 262 CB ARG A 18 -3.796 4.670 -10.470 1.00 0.00 C ATOM 263 CG ARG A 18 -4.843 5.607 -11.106 1.00 0.00 C ATOM 264 CD ARG A 18 -4.220 6.987 -11.348 1.00 0.00 C ATOM 265 NE ARG A 18 -5.026 7.722 -12.363 1.00 0.00 N ATOM 266 CZ ARG A 18 -4.870 7.463 -13.633 1.00 0.00 C ATOM 267 NH1 ARG A 18 -4.172 6.425 -14.006 1.00 0.00 N ATOM 268 NH2 ARG A 18 -5.410 8.243 -14.529 1.00 0.00 N ATOM 0 H ARG A 18 -2.932 2.874 -11.956 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.078 2.829 -9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.536 5.037 -9.477 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.883 4.689 -11.066 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.197 5.187 -12.047 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.710 5.698 -10.451 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.186 7.551 -10.416 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.192 6.879 -11.693 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.700 8.428 -12.066 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.749 5.817 -13.305 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.050 6.222 -14.998 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.954 9.055 -14.237 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.288 8.041 -15.521 1.00 0.00 H new ATOM 282 N ARG A 19 -6.225 3.072 -11.798 1.00 0.00 N ATOM 283 CA ARG A 19 -7.675 3.091 -12.065 1.00 0.00 C ATOM 284 C ARG A 19 -8.331 1.817 -11.527 1.00 0.00 C ATOM 285 O ARG A 19 -9.510 1.790 -11.238 1.00 0.00 O ATOM 286 CB ARG A 19 -7.922 3.205 -13.571 1.00 0.00 C ATOM 287 CG ARG A 19 -7.254 4.474 -14.105 1.00 0.00 C ATOM 288 CD ARG A 19 -7.631 4.667 -15.575 1.00 0.00 C ATOM 289 NE ARG A 19 -8.627 5.770 -15.693 1.00 0.00 N ATOM 290 CZ ARG A 19 -9.719 5.742 -14.979 1.00 0.00 C ATOM 291 NH1 ARG A 19 -10.611 4.813 -15.185 1.00 0.00 N ATOM 292 NH2 ARG A 19 -9.918 6.644 -14.058 1.00 0.00 N ATOM 0 H ARG A 19 -5.627 2.957 -12.616 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.114 3.952 -11.561 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.523 2.329 -14.083 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.993 3.233 -13.773 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.570 5.338 -13.521 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.171 4.399 -14.003 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.743 4.901 -16.161 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.046 3.744 -15.979 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.455 6.546 -16.332 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.455 4.107 -15.905 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.464 4.792 -14.626 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.220 7.370 -13.896 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.771 6.623 -13.499 1.00 0.00 H new ATOM 306 N ILE A 20 -7.579 0.758 -11.399 1.00 0.00 N ATOM 307 CA ILE A 20 -8.166 -0.515 -10.887 1.00 0.00 C ATOM 308 C ILE A 20 -8.433 -0.398 -9.385 1.00 0.00 C ATOM 309 O ILE A 20 -9.492 -0.756 -8.904 1.00 0.00 O ATOM 310 CB ILE A 20 -7.185 -1.663 -11.145 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.396 -2.202 -12.562 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.422 -2.788 -10.133 1.00 0.00 C ATOM 313 CD1 ILE A 20 -6.105 -2.859 -13.056 1.00 0.00 C ATOM 0 H ILE A 20 -6.585 0.718 -11.626 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.106 -0.712 -11.402 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.165 -1.294 -11.039 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.211 -2.926 -12.570 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.683 -1.391 -13.232 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.721 -3.601 -10.322 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.271 -2.407 -9.123 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.442 -3.158 -10.233 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.255 -3.243 -14.065 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.302 -2.122 -13.064 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.837 -3.680 -12.391 1.00 0.00 H new ATOM 325 N VAL A 21 -7.482 0.086 -8.637 1.00 0.00 N ATOM 326 CA VAL A 21 -7.684 0.205 -7.165 1.00 0.00 C ATOM 327 C VAL A 21 -8.602 1.389 -6.852 1.00 0.00 C ATOM 328 O VAL A 21 -9.383 1.346 -5.923 1.00 0.00 O ATOM 329 CB VAL A 21 -6.335 0.406 -6.478 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.968 -0.866 -5.710 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.263 0.692 -7.530 1.00 0.00 C ATOM 0 H VAL A 21 -6.575 0.404 -8.979 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.148 -0.709 -6.796 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.397 1.247 -5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.006 -0.729 -5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.733 -1.072 -4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.904 -1.704 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.300 0.835 -7.039 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.197 -0.149 -8.220 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.527 1.594 -8.082 1.00 0.00 H new ATOM 341 N ARG A 22 -8.521 2.443 -7.617 1.00 0.00 N ATOM 342 CA ARG A 22 -9.398 3.620 -7.356 1.00 0.00 C ATOM 343 C ARG A 22 -10.834 3.142 -7.152 1.00 0.00 C ATOM 344 O ARG A 22 -11.488 3.479 -6.184 1.00 0.00 O ATOM 345 CB ARG A 22 -9.359 4.551 -8.565 1.00 0.00 C ATOM 346 CG ARG A 22 -8.551 5.805 -8.229 1.00 0.00 C ATOM 347 CD ARG A 22 -8.513 6.730 -9.448 1.00 0.00 C ATOM 348 NE ARG A 22 -9.845 7.375 -9.624 1.00 0.00 N ATOM 349 CZ ARG A 22 -10.372 7.472 -10.814 1.00 0.00 C ATOM 350 NH1 ARG A 22 -9.658 7.927 -11.808 1.00 0.00 N ATOM 351 NH2 ARG A 22 -11.611 7.114 -11.012 1.00 0.00 N ATOM 0 H ARG A 22 -7.887 2.540 -8.410 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.050 4.145 -6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.913 4.037 -9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.373 4.828 -8.855 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.999 6.322 -7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.538 5.530 -7.936 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.743 7.491 -9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.251 6.162 -10.341 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.345 7.741 -8.814 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.689 8.206 -11.654 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.069 8.003 -12.738 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.169 6.758 -10.236 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.021 7.190 -11.943 1.00 0.00 H new ATOM 365 N ASN A 23 -11.322 2.360 -8.068 1.00 0.00 N ATOM 366 CA ASN A 23 -12.701 1.841 -7.976 1.00 0.00 C ATOM 367 C ASN A 23 -12.800 0.834 -6.835 1.00 0.00 C ATOM 368 O ASN A 23 -13.585 0.981 -5.922 1.00 0.00 O ATOM 369 CB ASN A 23 -12.989 1.122 -9.279 1.00 0.00 C ATOM 370 CG ASN A 23 -14.352 1.547 -9.828 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.325 0.834 -9.689 1.00 0.00 O ATOM 372 ND2 ASN A 23 -14.463 2.689 -10.449 1.00 0.00 N ATOM 0 H ASN A 23 -10.807 2.054 -8.894 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.405 2.653 -7.796 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.210 1.347 -10.007 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.974 0.044 -9.119 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.367 2.983 -10.818 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.645 3.288 -10.566 1.00 0.00 H new ATOM 379 N LEU A 24 -12.010 -0.198 -6.912 1.00 0.00 N ATOM 380 CA LEU A 24 -12.028 -1.263 -5.867 1.00 0.00 C ATOM 381 C LEU A 24 -12.164 -0.643 -4.472 1.00 0.00 C ATOM 382 O LEU A 24 -12.958 -1.083 -3.666 1.00 0.00 O ATOM 383 CB LEU A 24 -10.713 -2.047 -5.961 1.00 0.00 C ATOM 384 CG LEU A 24 -10.807 -3.403 -5.223 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.279 -4.503 -6.143 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.967 -3.402 -3.932 1.00 0.00 C ATOM 0 H LEU A 24 -11.341 -0.353 -7.666 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.879 -1.925 -6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.464 -2.218 -7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.904 -1.455 -5.534 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.850 -3.576 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.340 -5.464 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.879 -4.536 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.241 -4.295 -6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.056 -4.370 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.922 -3.215 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.328 -2.620 -3.264 1.00 0.00 H new ATOM 398 N LEU A 25 -11.404 0.374 -4.179 1.00 0.00 N ATOM 399 CA LEU A 25 -11.508 1.008 -2.834 1.00 0.00 C ATOM 400 C LEU A 25 -12.829 1.768 -2.740 1.00 0.00 C ATOM 401 O LEU A 25 -13.513 1.722 -1.737 1.00 0.00 O ATOM 402 CB LEU A 25 -10.339 1.976 -2.628 1.00 0.00 C ATOM 403 CG LEU A 25 -9.159 1.234 -2.001 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.853 1.912 -2.417 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.286 1.272 -0.475 1.00 0.00 C ATOM 0 H LEU A 25 -10.719 0.793 -4.808 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.473 0.239 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.042 2.411 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.646 2.800 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.158 0.199 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.011 1.384 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.761 1.889 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.855 2.947 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.445 0.743 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.286 2.308 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.218 0.792 -0.175 1.00 0.00 H new ATOM 417 N LYS A 26 -13.198 2.463 -3.779 1.00 0.00 N ATOM 418 CA LYS A 26 -14.473 3.216 -3.744 1.00 0.00 C ATOM 419 C LYS A 26 -15.635 2.237 -3.561 1.00 0.00 C ATOM 420 O LYS A 26 -16.650 2.568 -2.982 1.00 0.00 O ATOM 421 CB LYS A 26 -14.652 3.983 -5.056 1.00 0.00 C ATOM 422 CG LYS A 26 -16.064 4.571 -5.115 1.00 0.00 C ATOM 423 CD LYS A 26 -16.097 5.716 -6.129 1.00 0.00 C ATOM 424 CE LYS A 26 -17.548 6.128 -6.389 1.00 0.00 C ATOM 425 NZ LYS A 26 -18.135 6.693 -5.140 1.00 0.00 N ATOM 0 H LYS A 26 -12.670 2.540 -4.648 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.456 3.922 -2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.912 4.780 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.488 3.318 -5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.779 3.799 -5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.360 4.934 -4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.529 6.566 -5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.624 5.405 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.590 6.866 -7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.128 5.267 -6.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.056 7.126 -5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -18.264 5.933 -4.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -17.495 7.415 -4.751 1.00 0.00 H new ATOM 439 N GLU A 27 -15.497 1.033 -4.053 1.00 0.00 N ATOM 440 CA GLU A 27 -16.594 0.045 -3.906 1.00 0.00 C ATOM 441 C GLU A 27 -16.887 -0.174 -2.421 1.00 0.00 C ATOM 442 O GLU A 27 -17.964 -0.593 -2.047 1.00 0.00 O ATOM 443 CB GLU A 27 -16.184 -1.283 -4.550 1.00 0.00 C ATOM 444 CG GLU A 27 -16.725 -1.350 -5.980 1.00 0.00 C ATOM 445 CD GLU A 27 -18.243 -1.530 -5.947 1.00 0.00 C ATOM 446 OE1 GLU A 27 -18.692 -2.517 -5.388 1.00 0.00 O ATOM 447 OE2 GLU A 27 -18.933 -0.676 -6.483 1.00 0.00 O ATOM 0 H GLU A 27 -14.671 0.696 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.489 0.423 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.098 -1.375 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.571 -2.117 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.469 -0.438 -6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.262 -2.179 -6.516 1.00 0.00 H new ATOM 454 N LEU A 28 -15.933 0.098 -1.570 1.00 0.00 N ATOM 455 CA LEU A 28 -16.164 -0.106 -0.111 1.00 0.00 C ATOM 456 C LEU A 28 -16.712 1.177 0.521 1.00 0.00 C ATOM 457 O LEU A 28 -17.593 1.136 1.358 1.00 0.00 O ATOM 458 CB LEU A 28 -14.842 -0.481 0.562 1.00 0.00 C ATOM 459 CG LEU A 28 -14.675 -2.002 0.554 1.00 0.00 C ATOM 460 CD1 LEU A 28 -13.185 -2.350 0.577 1.00 0.00 C ATOM 461 CD2 LEU A 28 -15.356 -2.595 1.790 1.00 0.00 C ATOM 0 H LEU A 28 -15.009 0.451 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.890 -0.907 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.010 -0.011 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.825 -0.109 1.586 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.131 -2.414 -0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.064 -3.433 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.699 -1.926 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.729 -1.939 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.238 -3.679 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.899 -2.184 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.417 -2.346 1.776 1.00 0.00 H new ATOM 473 N GLY A 29 -16.200 2.312 0.132 1.00 0.00 N ATOM 474 CA GLY A 29 -16.688 3.592 0.711 1.00 0.00 C ATOM 475 C GLY A 29 -15.530 4.590 0.857 1.00 0.00 C ATOM 476 O GLY A 29 -15.695 5.662 1.406 1.00 0.00 O ATOM 0 H GLY A 29 -15.461 2.407 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.463 4.015 0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.143 3.408 1.684 1.00 0.00 H new ATOM 480 N PHE A 30 -14.362 4.252 0.381 1.00 0.00 N ATOM 481 CA PHE A 30 -13.205 5.185 0.504 1.00 0.00 C ATOM 482 C PHE A 30 -13.148 6.106 -0.721 1.00 0.00 C ATOM 483 O PHE A 30 -13.302 5.665 -1.842 1.00 0.00 O ATOM 484 CB PHE A 30 -11.913 4.376 0.568 1.00 0.00 C ATOM 485 CG PHE A 30 -11.934 3.435 1.748 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.505 3.864 3.007 1.00 0.00 C ATOM 487 CD2 PHE A 30 -12.365 2.120 1.569 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.504 2.970 4.084 1.00 0.00 C ATOM 489 CE2 PHE A 30 -12.366 1.226 2.645 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.933 1.651 3.903 1.00 0.00 C ATOM 0 H PHE A 30 -14.159 3.369 -0.088 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.322 5.783 1.408 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.787 3.809 -0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.059 5.049 0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.175 4.883 3.149 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.699 1.791 0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.171 3.299 5.057 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.701 0.209 2.503 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.929 0.962 4.735 1.00 0.00 H new ATOM 500 N ASN A 31 -12.933 7.380 -0.520 1.00 0.00 N ATOM 501 CA ASN A 31 -12.872 8.316 -1.668 1.00 0.00 C ATOM 502 C ASN A 31 -11.850 9.429 -1.382 1.00 0.00 C ATOM 503 O ASN A 31 -12.195 10.591 -1.283 1.00 0.00 O ATOM 504 CB ASN A 31 -14.255 8.924 -1.859 1.00 0.00 C ATOM 505 CG ASN A 31 -14.952 9.037 -0.503 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.241 9.272 0.566 1.00 0.00 O flip ATOM 507 ND2 ASN A 31 -16.158 8.913 -0.414 1.00 0.00 N flip ATOM 0 H ASN A 31 -12.797 7.809 0.396 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.565 7.785 -2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.171 9.908 -2.320 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.846 8.305 -2.534 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.715 8.729 -1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.613 8.993 0.495 1.00 0.00 H new ATOM 514 N ASN A 32 -10.593 9.089 -1.252 1.00 0.00 N ATOM 515 CA ASN A 32 -9.562 10.136 -0.977 1.00 0.00 C ATOM 516 C ASN A 32 -8.160 9.524 -1.054 1.00 0.00 C ATOM 517 O ASN A 32 -7.683 8.929 -0.107 1.00 0.00 O ATOM 518 CB ASN A 32 -9.780 10.714 0.424 1.00 0.00 C ATOM 519 CG ASN A 32 -9.085 12.073 0.529 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.232 12.428 -0.393 1.00 0.00 O flip ATOM 521 ND2 ASN A 32 -9.321 12.819 1.458 1.00 0.00 N flip ATOM 0 H ASN A 32 -10.237 8.136 -1.324 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.653 10.927 -1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.846 10.823 0.622 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.384 10.032 1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.988 12.541 2.178 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.853 13.723 1.518 1.00 0.00 H new ATOM 528 N VAL A 33 -7.492 9.665 -2.169 1.00 0.00 N ATOM 529 CA VAL A 33 -6.120 9.088 -2.292 1.00 0.00 C ATOM 530 C VAL A 33 -5.265 9.953 -3.210 1.00 0.00 C ATOM 531 O VAL A 33 -5.734 10.911 -3.792 1.00 0.00 O ATOM 532 CB VAL A 33 -6.201 7.673 -2.888 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.476 6.979 -2.417 1.00 0.00 C ATOM 534 CG2 VAL A 33 -6.202 7.753 -4.420 1.00 0.00 C ATOM 0 H VAL A 33 -7.835 10.153 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.671 9.051 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.335 7.101 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.524 5.977 -2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.472 6.909 -1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.344 7.554 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.260 6.747 -4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.062 8.334 -4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.285 8.235 -4.760 1.00 0.00 H new ATOM 544 N GLU A 34 -4.019 9.589 -3.368 1.00 0.00 N ATOM 545 CA GLU A 34 -3.126 10.353 -4.285 1.00 0.00 C ATOM 546 C GLU A 34 -2.346 9.350 -5.133 1.00 0.00 C ATOM 547 O GLU A 34 -2.674 8.175 -5.173 1.00 0.00 O ATOM 548 CB GLU A 34 -2.188 11.286 -3.489 1.00 0.00 C ATOM 549 CG GLU A 34 -1.003 10.522 -2.902 1.00 0.00 C ATOM 550 CD GLU A 34 -0.106 11.484 -2.125 1.00 0.00 C ATOM 551 OE1 GLU A 34 -0.063 12.648 -2.487 1.00 0.00 O ATOM 552 OE2 GLU A 34 0.526 11.040 -1.179 1.00 0.00 O ATOM 0 H GLU A 34 -3.582 8.795 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.716 10.995 -4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.823 12.079 -4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.747 11.766 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.359 9.729 -2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.435 10.043 -3.700 1.00 0.00 H new ATOM 559 N GLU A 35 -1.327 9.789 -5.814 1.00 0.00 N ATOM 560 CA GLU A 35 -0.553 8.847 -6.664 1.00 0.00 C ATOM 561 C GLU A 35 0.920 9.244 -6.715 1.00 0.00 C ATOM 562 O GLU A 35 1.283 10.389 -6.534 1.00 0.00 O ATOM 563 CB GLU A 35 -1.128 8.852 -8.080 1.00 0.00 C ATOM 564 CG GLU A 35 -0.804 7.526 -8.770 1.00 0.00 C ATOM 565 CD GLU A 35 -0.630 7.759 -10.271 1.00 0.00 C ATOM 566 OE1 GLU A 35 -1.367 8.566 -10.815 1.00 0.00 O ATOM 567 OE2 GLU A 35 0.238 7.129 -10.853 1.00 0.00 O ATOM 0 H GLU A 35 -0.998 10.754 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.629 7.849 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.207 9.001 -8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.710 9.682 -8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.107 7.099 -8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.604 6.807 -8.593 1.00 0.00 H new ATOM 574 N ALA A 36 1.765 8.286 -6.975 1.00 0.00 N ATOM 575 CA ALA A 36 3.224 8.557 -7.058 1.00 0.00 C ATOM 576 C ALA A 36 3.833 7.592 -8.076 1.00 0.00 C ATOM 577 O ALA A 36 3.123 6.957 -8.832 1.00 0.00 O ATOM 578 CB ALA A 36 3.859 8.339 -5.685 1.00 0.00 C ATOM 0 H ALA A 36 1.501 7.314 -7.135 1.00 0.00 H new ATOM 0 HA ALA A 36 3.405 9.586 -7.369 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.929 8.537 -5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.404 9.016 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.698 7.308 -5.369 1.00 0.00 H new ATOM 584 N GLU A 37 5.132 7.482 -8.111 1.00 0.00 N ATOM 585 CA GLU A 37 5.780 6.559 -9.095 1.00 0.00 C ATOM 586 C GLU A 37 6.901 5.765 -8.417 1.00 0.00 C ATOM 587 O GLU A 37 7.461 4.856 -8.998 1.00 0.00 O ATOM 588 CB GLU A 37 6.362 7.377 -10.248 1.00 0.00 C ATOM 589 CG GLU A 37 5.294 8.334 -10.782 1.00 0.00 C ATOM 590 CD GLU A 37 5.665 8.775 -12.199 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.035 7.920 -12.987 1.00 0.00 O ATOM 592 OE2 GLU A 37 5.572 9.960 -12.474 1.00 0.00 O ATOM 0 H GLU A 37 5.775 7.989 -7.503 1.00 0.00 H new ATOM 0 HA GLU A 37 5.033 5.862 -9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.232 7.939 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.702 6.714 -11.043 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.321 7.844 -10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.211 9.203 -10.130 1.00 0.00 H new ATOM 599 N ASP A 38 7.236 6.092 -7.199 1.00 0.00 N ATOM 600 CA ASP A 38 8.322 5.346 -6.498 1.00 0.00 C ATOM 601 C ASP A 38 8.417 5.835 -5.051 1.00 0.00 C ATOM 602 O ASP A 38 7.652 6.674 -4.620 1.00 0.00 O ATOM 603 CB ASP A 38 9.668 5.571 -7.203 1.00 0.00 C ATOM 604 CG ASP A 38 9.562 6.734 -8.193 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.806 7.856 -7.788 1.00 0.00 O ATOM 606 OD2 ASP A 38 9.243 6.479 -9.343 1.00 0.00 O ATOM 0 H ASP A 38 6.806 6.842 -6.658 1.00 0.00 H new ATOM 0 HA ASP A 38 8.090 4.281 -6.517 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.442 5.782 -6.465 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.967 4.664 -7.728 1.00 0.00 H new ATOM 611 N GLY A 39 9.345 5.315 -4.294 1.00 0.00 N ATOM 612 CA GLY A 39 9.472 5.754 -2.874 1.00 0.00 C ATOM 613 C GLY A 39 9.851 7.231 -2.821 1.00 0.00 C ATOM 614 O GLY A 39 9.202 8.015 -2.162 1.00 0.00 O ATOM 0 H GLY A 39 10.017 4.609 -4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.531 5.592 -2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.229 5.157 -2.365 1.00 0.00 H new ATOM 618 N VAL A 40 10.883 7.630 -3.513 1.00 0.00 N ATOM 619 CA VAL A 40 11.257 9.070 -3.488 1.00 0.00 C ATOM 620 C VAL A 40 10.004 9.884 -3.808 1.00 0.00 C ATOM 621 O VAL A 40 9.782 10.954 -3.271 1.00 0.00 O ATOM 622 CB VAL A 40 12.339 9.348 -4.535 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.105 8.463 -5.760 1.00 0.00 C ATOM 624 CG2 VAL A 40 12.279 10.819 -4.952 1.00 0.00 C ATOM 0 H VAL A 40 11.475 7.030 -4.087 1.00 0.00 H new ATOM 0 HA VAL A 40 11.650 9.343 -2.508 1.00 0.00 H new ATOM 0 HB VAL A 40 13.319 9.129 -4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.876 8.662 -6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.147 7.415 -5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.125 8.681 -6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.049 11.018 -5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.299 11.037 -5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.446 11.451 -4.080 1.00 0.00 H new ATOM 634 N ASP A 41 9.171 9.365 -4.667 1.00 0.00 N ATOM 635 CA ASP A 41 7.918 10.077 -5.021 1.00 0.00 C ATOM 636 C ASP A 41 6.997 10.081 -3.802 1.00 0.00 C ATOM 637 O ASP A 41 6.496 11.110 -3.395 1.00 0.00 O ATOM 638 CB ASP A 41 7.236 9.347 -6.176 1.00 0.00 C ATOM 639 CG ASP A 41 6.260 10.292 -6.878 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.781 11.208 -6.229 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.007 10.084 -8.053 1.00 0.00 O ATOM 0 H ASP A 41 9.308 8.472 -5.140 1.00 0.00 H new ATOM 0 HA ASP A 41 8.138 11.101 -5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.983 8.988 -6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.705 8.472 -5.803 1.00 0.00 H new ATOM 646 N ALA A 42 6.777 8.938 -3.208 1.00 0.00 N ATOM 647 CA ALA A 42 5.899 8.890 -2.011 1.00 0.00 C ATOM 648 C ALA A 42 6.576 9.658 -0.875 1.00 0.00 C ATOM 649 O ALA A 42 5.947 10.065 0.079 1.00 0.00 O ATOM 650 CB ALA A 42 5.686 7.434 -1.589 1.00 0.00 C ATOM 0 H ALA A 42 7.167 8.042 -3.501 1.00 0.00 H new ATOM 0 HA ALA A 42 4.933 9.340 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.042 7.400 -0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.217 6.884 -2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.648 6.980 -1.351 1.00 0.00 H new ATOM 656 N LEU A 43 7.859 9.865 -0.977 1.00 0.00 N ATOM 657 CA LEU A 43 8.579 10.610 0.091 1.00 0.00 C ATOM 658 C LEU A 43 8.303 12.104 -0.067 1.00 0.00 C ATOM 659 O LEU A 43 8.342 12.855 0.887 1.00 0.00 O ATOM 660 CB LEU A 43 10.083 10.351 -0.034 1.00 0.00 C ATOM 661 CG LEU A 43 10.697 10.173 1.356 1.00 0.00 C ATOM 662 CD1 LEU A 43 12.198 9.906 1.221 1.00 0.00 C ATOM 663 CD2 LEU A 43 10.482 11.446 2.179 1.00 0.00 C ATOM 0 H LEU A 43 8.440 9.550 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 43 8.235 10.276 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.259 9.459 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.563 11.183 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 43 10.219 9.331 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.636 9.779 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.355 9.000 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.674 10.749 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.920 11.318 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.959 12.288 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.414 11.640 2.277 1.00 0.00 H new ATOM 675 N ASN A 44 8.032 12.544 -1.265 1.00 0.00 N ATOM 676 CA ASN A 44 7.760 13.994 -1.482 1.00 0.00 C ATOM 677 C ASN A 44 6.261 14.281 -1.342 1.00 0.00 C ATOM 678 O ASN A 44 5.863 15.340 -0.898 1.00 0.00 O ATOM 679 CB ASN A 44 8.223 14.390 -2.885 1.00 0.00 C ATOM 680 CG ASN A 44 9.631 14.984 -2.807 1.00 0.00 C ATOM 681 OD1 ASN A 44 9.849 15.970 -2.132 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.601 14.421 -3.473 1.00 0.00 N ATOM 0 H ASN A 44 7.987 11.963 -2.102 1.00 0.00 H new ATOM 0 HA ASN A 44 8.302 14.573 -0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.220 13.519 -3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.534 15.116 -3.316 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.543 14.809 -3.427 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.417 13.593 -4.040 1.00 0.00 H new ATOM 689 N LYS A 45 5.425 13.356 -1.724 1.00 0.00 N ATOM 690 CA LYS A 45 3.953 13.590 -1.618 1.00 0.00 C ATOM 691 C LYS A 45 3.443 13.118 -0.255 1.00 0.00 C ATOM 692 O LYS A 45 2.878 13.879 0.500 1.00 0.00 O ATOM 693 CB LYS A 45 3.234 12.811 -2.728 1.00 0.00 C ATOM 694 CG LYS A 45 2.576 13.780 -3.719 1.00 0.00 C ATOM 695 CD LYS A 45 3.653 14.518 -4.521 1.00 0.00 C ATOM 696 CE LYS A 45 3.978 13.724 -5.787 1.00 0.00 C ATOM 697 NZ LYS A 45 5.348 14.075 -6.257 1.00 0.00 N ATOM 0 H LYS A 45 5.694 12.449 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 45 3.752 14.656 -1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.945 12.172 -3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.478 12.157 -2.292 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.919 13.232 -4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.955 14.497 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.305 15.517 -4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.551 14.642 -3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.914 12.655 -5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.247 13.945 -6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.285 14.578 -7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.810 14.686 -5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.906 13.206 -6.381 1.00 0.00 H new ATOM 711 N LEU A 46 3.628 11.868 0.059 1.00 0.00 N ATOM 712 CA LEU A 46 3.144 11.351 1.372 1.00 0.00 C ATOM 713 C LEU A 46 3.669 12.257 2.492 1.00 0.00 C ATOM 714 O LEU A 46 3.108 12.320 3.566 1.00 0.00 O ATOM 715 CB LEU A 46 3.658 9.913 1.551 1.00 0.00 C ATOM 716 CG LEU A 46 2.687 9.061 2.411 1.00 0.00 C ATOM 717 CD1 LEU A 46 2.905 7.565 2.138 1.00 0.00 C ATOM 718 CD2 LEU A 46 2.918 9.319 3.902 1.00 0.00 C ATOM 0 H LEU A 46 4.093 11.181 -0.534 1.00 0.00 H new ATOM 0 HA LEU A 46 2.055 11.349 1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.784 9.447 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.640 9.933 2.023 1.00 0.00 H new ATOM 0 HG LEU A 46 1.669 9.345 2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.217 6.980 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.722 7.357 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.931 7.295 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.227 8.712 4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.943 9.055 4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.748 10.374 4.119 1.00 0.00 H new ATOM 730 N GLN A 47 4.731 12.975 2.244 1.00 0.00 N ATOM 731 CA GLN A 47 5.267 13.885 3.296 1.00 0.00 C ATOM 732 C GLN A 47 4.132 14.770 3.806 1.00 0.00 C ATOM 733 O GLN A 47 4.124 15.194 4.945 1.00 0.00 O ATOM 734 CB GLN A 47 6.369 14.765 2.703 1.00 0.00 C ATOM 735 CG GLN A 47 7.499 14.931 3.721 1.00 0.00 C ATOM 736 CD GLN A 47 8.379 13.679 3.720 1.00 0.00 C ATOM 737 OE1 GLN A 47 7.895 12.580 3.909 1.00 0.00 O ATOM 738 NE2 GLN A 47 9.661 13.799 3.513 1.00 0.00 N ATOM 0 H GLN A 47 5.248 12.971 1.364 1.00 0.00 H new ATOM 0 HA GLN A 47 5.680 13.297 4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.754 14.315 1.788 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.963 15.740 2.433 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.097 15.808 3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.085 15.096 4.716 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.068 14.721 3.354 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.257 12.971 3.510 1.00 0.00 H new ATOM 747 N ALA A 48 3.173 15.049 2.964 1.00 0.00 N ATOM 748 CA ALA A 48 2.029 15.902 3.380 1.00 0.00 C ATOM 749 C ALA A 48 1.536 15.457 4.759 1.00 0.00 C ATOM 750 O ALA A 48 1.537 16.226 5.700 1.00 0.00 O ATOM 751 CB ALA A 48 0.899 15.765 2.356 1.00 0.00 C ATOM 0 H ALA A 48 3.136 14.719 2.000 1.00 0.00 H new ATOM 0 HA ALA A 48 2.346 16.944 3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.058 16.389 2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.255 16.084 1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.579 14.724 2.305 1.00 0.00 H new ATOM 757 N GLY A 49 1.123 14.219 4.885 1.00 0.00 N ATOM 758 CA GLY A 49 0.638 13.716 6.206 1.00 0.00 C ATOM 759 C GLY A 49 -0.877 13.526 6.160 1.00 0.00 C ATOM 760 O GLY A 49 -1.632 14.474 6.071 1.00 0.00 O ATOM 0 H GLY A 49 1.101 13.535 4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.125 12.771 6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.902 14.422 6.994 1.00 0.00 H new ATOM 764 N GLY A 50 -1.327 12.304 6.223 1.00 0.00 N ATOM 765 CA GLY A 50 -2.794 12.046 6.187 1.00 0.00 C ATOM 766 C GLY A 50 -3.050 10.650 5.621 1.00 0.00 C ATOM 767 O GLY A 50 -4.020 10.001 5.961 1.00 0.00 O ATOM 0 H GLY A 50 -0.742 11.472 6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.213 12.126 7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.291 12.796 5.573 1.00 0.00 H new ATOM 771 N TYR A 51 -2.191 10.183 4.757 1.00 0.00 N ATOM 772 CA TYR A 51 -2.386 8.834 4.167 1.00 0.00 C ATOM 773 C TYR A 51 -2.291 7.775 5.255 1.00 0.00 C ATOM 774 O TYR A 51 -1.253 7.185 5.477 1.00 0.00 O ATOM 775 CB TYR A 51 -1.313 8.590 3.109 1.00 0.00 C ATOM 776 CG TYR A 51 -1.396 9.696 2.097 1.00 0.00 C ATOM 777 CD1 TYR A 51 -2.336 9.627 1.064 1.00 0.00 C ATOM 778 CD2 TYR A 51 -0.559 10.806 2.212 1.00 0.00 C ATOM 779 CE1 TYR A 51 -2.435 10.673 0.142 1.00 0.00 C ATOM 780 CE2 TYR A 51 -0.663 11.858 1.299 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.602 11.792 0.264 1.00 0.00 C ATOM 782 OH TYR A 51 -1.715 12.838 -0.632 1.00 0.00 O ATOM 0 H TYR A 51 -1.361 10.681 4.435 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.372 8.776 3.706 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.324 8.567 3.568 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.464 7.623 2.629 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.984 8.767 0.979 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.170 10.852 3.008 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.153 10.618 -0.663 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.020 12.721 1.392 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.823 13.180 -0.849 1.00 0.00 H new ATOM 792 N GLY A 52 -3.377 7.516 5.925 1.00 0.00 N ATOM 793 CA GLY A 52 -3.356 6.481 6.985 1.00 0.00 C ATOM 794 C GLY A 52 -3.210 5.116 6.324 1.00 0.00 C ATOM 795 O GLY A 52 -3.356 4.088 6.951 1.00 0.00 O ATOM 0 H GLY A 52 -4.276 7.977 5.783 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.529 6.659 7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.273 6.521 7.572 1.00 0.00 H new ATOM 799 N PHE A 53 -2.940 5.101 5.046 1.00 0.00 N ATOM 800 CA PHE A 53 -2.799 3.804 4.337 1.00 0.00 C ATOM 801 C PHE A 53 -2.007 4.003 3.037 1.00 0.00 C ATOM 802 O PHE A 53 -2.001 5.071 2.451 1.00 0.00 O ATOM 803 CB PHE A 53 -4.191 3.293 4.012 1.00 0.00 C ATOM 804 CG PHE A 53 -4.309 1.824 4.331 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.655 1.418 5.622 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.110 0.870 3.331 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.805 0.063 5.912 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.253 -0.486 3.619 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.605 -0.893 4.911 1.00 0.00 C ATOM 0 H PHE A 53 -2.812 5.931 4.467 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.266 3.088 4.963 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.932 3.854 4.582 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.407 3.459 2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.807 2.155 6.397 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.845 1.184 2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.076 -0.249 6.910 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.092 -1.222 2.846 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.722 -1.943 5.135 1.00 0.00 H new ATOM 819 N VAL A 54 -1.338 2.984 2.578 1.00 0.00 N ATOM 820 CA VAL A 54 -0.552 3.123 1.320 1.00 0.00 C ATOM 821 C VAL A 54 -0.575 1.803 0.550 1.00 0.00 C ATOM 822 O VAL A 54 -0.528 0.734 1.123 1.00 0.00 O ATOM 823 CB VAL A 54 0.892 3.484 1.662 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.665 3.833 0.386 1.00 0.00 C ATOM 825 CG2 VAL A 54 0.911 4.686 2.607 1.00 0.00 C ATOM 0 H VAL A 54 -1.301 2.064 3.017 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.991 3.908 0.705 1.00 0.00 H new ATOM 0 HB VAL A 54 1.364 2.628 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.693 4.089 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.661 2.976 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.191 4.683 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.942 4.942 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.430 5.537 2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.374 4.438 3.522 1.00 0.00 H new ATOM 835 N ILE A 55 -0.637 1.887 -0.749 1.00 0.00 N ATOM 836 CA ILE A 55 -0.654 0.666 -1.602 1.00 0.00 C ATOM 837 C ILE A 55 0.471 0.797 -2.635 1.00 0.00 C ATOM 838 O ILE A 55 0.364 1.552 -3.584 1.00 0.00 O ATOM 839 CB ILE A 55 -2.008 0.581 -2.312 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.031 -0.072 -1.381 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.874 -0.254 -3.584 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.440 0.151 -1.934 1.00 0.00 C ATOM 0 H ILE A 55 -0.677 2.766 -1.265 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.507 -0.233 -1.004 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.340 1.586 -2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.828 -1.139 -1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.950 0.352 -0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.840 -0.311 -4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.147 0.211 -4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.539 -1.259 -3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.169 -0.314 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.640 1.220 -2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.516 -0.294 -2.926 1.00 0.00 H new ATOM 854 N SER A 56 1.558 0.091 -2.444 1.00 0.00 N ATOM 855 CA SER A 56 2.705 0.191 -3.401 1.00 0.00 C ATOM 856 C SER A 56 2.912 -1.142 -4.121 1.00 0.00 C ATOM 857 O SER A 56 2.633 -2.198 -3.590 1.00 0.00 O ATOM 858 CB SER A 56 3.975 0.546 -2.627 1.00 0.00 C ATOM 859 OG SER A 56 4.651 -0.650 -2.260 1.00 0.00 O ATOM 0 H SER A 56 1.701 -0.552 -1.665 1.00 0.00 H new ATOM 0 HA SER A 56 2.487 0.963 -4.139 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.625 1.172 -3.239 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.723 1.123 -1.737 1.00 0.00 H new ATOM 0 HG SER A 56 5.594 -0.585 -2.519 1.00 0.00 H new ATOM 865 N ASP A 57 3.410 -1.096 -5.328 1.00 0.00 N ATOM 866 CA ASP A 57 3.650 -2.354 -6.088 1.00 0.00 C ATOM 867 C ASP A 57 4.935 -3.011 -5.582 1.00 0.00 C ATOM 868 O ASP A 57 4.910 -3.867 -4.721 1.00 0.00 O ATOM 869 CB ASP A 57 3.793 -2.032 -7.576 1.00 0.00 C ATOM 870 CG ASP A 57 4.228 -0.576 -7.745 1.00 0.00 C ATOM 871 OD1 ASP A 57 5.323 -0.252 -7.315 1.00 0.00 O ATOM 872 OD2 ASP A 57 3.461 0.192 -8.303 1.00 0.00 O ATOM 0 H ASP A 57 3.661 -0.239 -5.820 1.00 0.00 H new ATOM 0 HA ASP A 57 2.810 -3.034 -5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.526 -2.697 -8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.846 -2.201 -8.088 1.00 0.00 H new ATOM 877 N TRP A 58 6.061 -2.613 -6.107 1.00 0.00 N ATOM 878 CA TRP A 58 7.346 -3.212 -5.652 1.00 0.00 C ATOM 879 C TRP A 58 8.509 -2.347 -6.144 1.00 0.00 C ATOM 880 O TRP A 58 8.333 -1.456 -6.951 1.00 0.00 O ATOM 881 CB TRP A 58 7.476 -4.630 -6.216 1.00 0.00 C ATOM 882 CG TRP A 58 8.640 -5.320 -5.577 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.746 -5.739 -6.232 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.831 -5.679 -4.178 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.607 -6.331 -5.323 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.087 -6.318 -4.044 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.046 -5.512 -3.023 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.546 -6.776 -2.808 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.507 -5.972 -1.779 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.753 -6.601 -1.672 1.00 0.00 C ATOM 0 H TRP A 58 6.146 -1.899 -6.831 1.00 0.00 H new ATOM 0 HA TRP A 58 7.366 -3.257 -4.563 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.561 -5.192 -6.030 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.612 -4.591 -7.297 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.928 -5.630 -7.291 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.514 -6.728 -5.568 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.083 -5.027 -3.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.507 -7.262 -2.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.896 -5.840 -0.898 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.101 -6.951 -0.711 1.00 0.00 H new ATOM 901 N ASN A 59 9.696 -2.596 -5.659 1.00 0.00 N ATOM 902 CA ASN A 59 10.865 -1.781 -6.098 1.00 0.00 C ATOM 903 C ASN A 59 11.299 -2.223 -7.497 1.00 0.00 C ATOM 904 O ASN A 59 12.472 -2.382 -7.773 1.00 0.00 O ATOM 905 CB ASN A 59 12.021 -1.974 -5.114 1.00 0.00 C ATOM 906 CG ASN A 59 12.656 -3.349 -5.333 1.00 0.00 C ATOM 907 OD1 ASN A 59 11.968 -4.285 -5.928 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 13.789 -3.574 -4.957 1.00 0.00 N flip ATOM 0 H ASN A 59 9.906 -3.327 -4.979 1.00 0.00 H new ATOM 0 HA ASN A 59 10.586 -0.728 -6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.766 -1.191 -5.255 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.658 -1.888 -4.090 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.327 -2.843 -4.492 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.203 -4.494 -5.106 1.00 0.00 H new ATOM 915 N MET A 60 10.361 -2.417 -8.381 1.00 0.00 N ATOM 916 CA MET A 60 10.710 -2.844 -9.761 1.00 0.00 C ATOM 917 C MET A 60 11.379 -1.694 -10.539 1.00 0.00 C ATOM 918 O MET A 60 12.386 -1.914 -11.181 1.00 0.00 O ATOM 919 CB MET A 60 9.445 -3.299 -10.495 1.00 0.00 C ATOM 920 CG MET A 60 9.590 -4.767 -10.899 1.00 0.00 C ATOM 921 SD MET A 60 8.054 -5.333 -11.673 1.00 0.00 S ATOM 922 CE MET A 60 8.442 -4.801 -13.359 1.00 0.00 C ATOM 0 H MET A 60 9.364 -2.297 -8.205 1.00 0.00 H new ATOM 0 HA MET A 60 11.415 -3.673 -9.699 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.573 -3.172 -9.853 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.283 -2.682 -11.379 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.424 -4.884 -11.591 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.815 -5.376 -10.023 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.614 -5.056 -14.021 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.599 -3.723 -13.373 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.347 -5.304 -13.700 1.00 0.00 H new ATOM 932 N PRO A 61 10.814 -0.501 -10.481 1.00 0.00 N ATOM 933 CA PRO A 61 11.384 0.649 -11.209 1.00 0.00 C ATOM 934 C PRO A 61 12.759 1.011 -10.638 1.00 0.00 C ATOM 935 O PRO A 61 13.725 1.149 -11.363 1.00 0.00 O ATOM 936 CB PRO A 61 10.388 1.795 -10.988 1.00 0.00 C ATOM 937 CG PRO A 61 9.233 1.252 -10.111 1.00 0.00 C ATOM 938 CD PRO A 61 9.588 -0.189 -9.711 1.00 0.00 C ATOM 0 HA PRO A 61 11.529 0.435 -12.268 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.877 2.637 -10.498 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.006 2.159 -11.942 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.101 1.873 -9.225 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.292 1.276 -10.660 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.763 -0.271 -8.638 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.780 -0.879 -9.956 1.00 0.00 H new ATOM 946 N ASN A 62 12.855 1.167 -9.347 1.00 0.00 N ATOM 947 CA ASN A 62 14.168 1.520 -8.737 1.00 0.00 C ATOM 948 C ASN A 62 14.118 1.258 -7.231 1.00 0.00 C ATOM 949 O ASN A 62 13.066 1.279 -6.624 1.00 0.00 O ATOM 950 CB ASN A 62 14.465 3.001 -8.991 1.00 0.00 C ATOM 951 CG ASN A 62 13.670 3.859 -8.007 1.00 0.00 C ATOM 952 OD1 ASN A 62 14.026 3.966 -6.850 1.00 0.00 O ATOM 953 ND2 ASN A 62 12.601 4.484 -8.420 1.00 0.00 N ATOM 0 H ASN A 62 12.083 1.066 -8.689 1.00 0.00 H new ATOM 0 HA ASN A 62 14.953 0.910 -9.184 1.00 0.00 H new ATOM 0 HB2 ASN A 62 15.532 3.193 -8.877 1.00 0.00 H new ATOM 0 HB3 ASN A 62 14.201 3.265 -10.015 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.065 5.061 -7.772 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.301 4.395 -9.391 1.00 0.00 H new ATOM 960 N MET A 63 15.248 1.009 -6.625 1.00 0.00 N ATOM 961 CA MET A 63 15.269 0.743 -5.158 1.00 0.00 C ATOM 962 C MET A 63 14.409 1.785 -4.442 1.00 0.00 C ATOM 963 O MET A 63 14.607 2.974 -4.591 1.00 0.00 O ATOM 964 CB MET A 63 16.706 0.833 -4.639 1.00 0.00 C ATOM 965 CG MET A 63 17.592 -0.167 -5.386 1.00 0.00 C ATOM 966 SD MET A 63 19.164 0.626 -5.811 1.00 0.00 S ATOM 967 CE MET A 63 20.114 -0.883 -6.119 1.00 0.00 C ATOM 0 H MET A 63 16.159 0.978 -7.084 1.00 0.00 H new ATOM 0 HA MET A 63 14.875 -0.255 -4.966 1.00 0.00 H new ATOM 0 HB2 MET A 63 17.089 1.844 -4.776 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.729 0.625 -3.569 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.771 -1.046 -4.766 1.00 0.00 H new ATOM 0 HG3 MET A 63 17.089 -0.511 -6.290 1.00 0.00 H new ATOM 0 HE1 MET A 63 21.133 -0.620 -6.401 1.00 0.00 H new ATOM 0 HE2 MET A 63 20.133 -1.492 -5.215 1.00 0.00 H new ATOM 0 HE3 MET A 63 19.648 -1.448 -6.927 1.00 0.00 H new ATOM 977 N ASP A 64 13.453 1.354 -3.663 1.00 0.00 N ATOM 978 CA ASP A 64 12.588 2.329 -2.945 1.00 0.00 C ATOM 979 C ASP A 64 11.505 1.586 -2.162 1.00 0.00 C ATOM 980 O ASP A 64 11.430 1.690 -0.956 1.00 0.00 O ATOM 981 CB ASP A 64 11.930 3.268 -3.959 1.00 0.00 C ATOM 982 CG ASP A 64 12.545 4.663 -3.838 1.00 0.00 C ATOM 983 OD1 ASP A 64 12.627 5.158 -2.726 1.00 0.00 O ATOM 984 OD2 ASP A 64 12.926 5.212 -4.858 1.00 0.00 O ATOM 0 H ASP A 64 13.236 0.372 -3.494 1.00 0.00 H new ATOM 0 HA ASP A 64 13.198 2.907 -2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.069 2.884 -4.970 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.856 3.316 -3.782 1.00 0.00 H new ATOM 989 N GLY A 65 10.664 0.849 -2.846 1.00 0.00 N ATOM 990 CA GLY A 65 9.564 0.096 -2.161 1.00 0.00 C ATOM 991 C GLY A 65 10.054 -0.479 -0.821 1.00 0.00 C ATOM 992 O GLY A 65 9.348 -0.454 0.174 1.00 0.00 O ATOM 0 H GLY A 65 10.692 0.735 -3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.715 0.758 -1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.214 -0.712 -2.803 1.00 0.00 H new ATOM 996 N LEU A 66 11.258 -0.981 -0.777 1.00 0.00 N ATOM 997 CA LEU A 66 11.778 -1.535 0.506 1.00 0.00 C ATOM 998 C LEU A 66 12.084 -0.378 1.461 1.00 0.00 C ATOM 999 O LEU A 66 11.577 -0.321 2.563 1.00 0.00 O ATOM 1000 CB LEU A 66 13.057 -2.340 0.241 1.00 0.00 C ATOM 1001 CG LEU A 66 12.912 -3.767 0.786 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.608 -3.722 2.286 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.772 -4.485 0.058 1.00 0.00 C ATOM 0 H LEU A 66 11.900 -1.032 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 66 11.031 -2.192 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.260 -2.371 -0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.908 -1.848 0.712 1.00 0.00 H new ATOM 0 HG LEU A 66 13.845 -4.306 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.506 -4.738 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.422 -3.219 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.679 -3.177 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.672 -5.498 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.840 -3.942 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.991 -4.527 -1.009 1.00 0.00 H new ATOM 1015 N GLU A 67 12.901 0.554 1.043 1.00 0.00 N ATOM 1016 CA GLU A 67 13.223 1.712 1.926 1.00 0.00 C ATOM 1017 C GLU A 67 11.942 2.508 2.180 1.00 0.00 C ATOM 1018 O GLU A 67 11.892 3.390 3.015 1.00 0.00 O ATOM 1019 CB GLU A 67 14.256 2.607 1.236 1.00 0.00 C ATOM 1020 CG GLU A 67 15.530 2.661 2.081 1.00 0.00 C ATOM 1021 CD GLU A 67 16.157 1.268 2.149 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.822 0.891 1.198 1.00 0.00 O ATOM 1023 OE2 GLU A 67 15.963 0.601 3.153 1.00 0.00 O ATOM 0 H GLU A 67 13.357 0.563 0.131 1.00 0.00 H new ATOM 0 HA GLU A 67 13.632 1.357 2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.482 2.220 0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.852 3.611 1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.237 3.369 1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.298 3.016 3.085 1.00 0.00 H new ATOM 1030 N LEU A 68 10.904 2.187 1.461 1.00 0.00 N ATOM 1031 CA LEU A 68 9.600 2.890 1.629 1.00 0.00 C ATOM 1032 C LEU A 68 8.946 2.427 2.928 1.00 0.00 C ATOM 1033 O LEU A 68 8.674 3.209 3.817 1.00 0.00 O ATOM 1034 CB LEU A 68 8.701 2.492 0.460 1.00 0.00 C ATOM 1035 CG LEU A 68 8.241 3.697 -0.352 1.00 0.00 C ATOM 1036 CD1 LEU A 68 7.676 3.206 -1.693 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.145 4.428 0.408 1.00 0.00 C ATOM 0 H LEU A 68 10.903 1.454 0.751 1.00 0.00 H new ATOM 0 HA LEU A 68 9.748 3.969 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.239 1.802 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.830 1.958 0.840 1.00 0.00 H new ATOM 0 HG LEU A 68 9.082 4.370 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.344 4.060 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.451 2.668 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.832 2.541 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.814 5.290 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.303 3.755 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.531 4.763 1.371 1.00 0.00 H new ATOM 1049 N LEU A 69 8.682 1.153 3.034 1.00 0.00 N ATOM 1050 CA LEU A 69 8.032 0.624 4.266 1.00 0.00 C ATOM 1051 C LEU A 69 9.061 0.533 5.395 1.00 0.00 C ATOM 1052 O LEU A 69 8.742 0.709 6.555 1.00 0.00 O ATOM 1053 CB LEU A 69 7.402 -0.742 3.938 1.00 0.00 C ATOM 1054 CG LEU A 69 8.072 -1.903 4.707 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.688 -1.868 6.200 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.602 -3.240 4.108 1.00 0.00 C ATOM 0 H LEU A 69 8.889 0.455 2.319 1.00 0.00 H new ATOM 0 HA LEU A 69 7.242 1.293 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.339 -0.716 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.481 -0.927 2.867 1.00 0.00 H new ATOM 0 HG LEU A 69 9.153 -1.799 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.172 -2.695 6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.014 -0.924 6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.606 -1.960 6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.071 -4.064 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.518 -3.318 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.883 -3.286 3.056 1.00 0.00 H new ATOM 1068 N LYS A 70 10.298 0.278 5.065 1.00 0.00 N ATOM 1069 CA LYS A 70 11.347 0.193 6.120 1.00 0.00 C ATOM 1070 C LYS A 70 11.552 1.579 6.736 1.00 0.00 C ATOM 1071 O LYS A 70 11.583 1.735 7.939 1.00 0.00 O ATOM 1072 CB LYS A 70 12.660 -0.291 5.500 1.00 0.00 C ATOM 1073 CG LYS A 70 13.574 -0.836 6.599 1.00 0.00 C ATOM 1074 CD LYS A 70 15.018 -0.865 6.095 1.00 0.00 C ATOM 1075 CE LYS A 70 15.894 -1.625 7.093 1.00 0.00 C ATOM 1076 NZ LYS A 70 15.978 -0.855 8.366 1.00 0.00 N ATOM 0 H LYS A 70 10.627 0.125 4.112 1.00 0.00 H new ATOM 0 HA LYS A 70 11.034 -0.510 6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.461 -1.066 4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.152 0.529 4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.501 -0.212 7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.258 -1.839 6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.063 -1.344 5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.391 0.152 5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.476 -2.614 7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.891 -1.774 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.690 -1.289 8.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.250 0.127 8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.052 -0.866 8.840 1.00 0.00 H new ATOM 1090 N THR A 71 11.686 2.589 5.919 1.00 0.00 N ATOM 1091 CA THR A 71 11.881 3.962 6.461 1.00 0.00 C ATOM 1092 C THR A 71 10.627 4.375 7.231 1.00 0.00 C ATOM 1093 O THR A 71 10.700 4.960 8.293 1.00 0.00 O ATOM 1094 CB THR A 71 12.120 4.943 5.309 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.264 4.534 4.572 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.345 6.351 5.865 1.00 0.00 C ATOM 0 H THR A 71 11.669 2.522 4.901 1.00 0.00 H new ATOM 0 HA THR A 71 12.745 3.975 7.126 1.00 0.00 H new ATOM 0 HB THR A 71 11.248 4.952 4.655 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.990 3.931 3.850 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.514 7.045 5.041 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.466 6.664 6.428 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.215 6.348 6.522 1.00 0.00 H new ATOM 1104 N ILE A 72 9.473 4.065 6.704 1.00 0.00 N ATOM 1105 CA ILE A 72 8.213 4.430 7.406 1.00 0.00 C ATOM 1106 C ILE A 72 8.188 3.748 8.775 1.00 0.00 C ATOM 1107 O ILE A 72 7.566 4.221 9.704 1.00 0.00 O ATOM 1108 CB ILE A 72 7.011 3.961 6.580 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.807 4.905 5.390 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.755 3.967 7.453 1.00 0.00 C ATOM 1111 CD1 ILE A 72 5.839 4.267 4.389 1.00 0.00 C ATOM 0 H ILE A 72 9.350 3.575 5.818 1.00 0.00 H new ATOM 0 HA ILE A 72 8.163 5.512 7.532 1.00 0.00 H new ATOM 0 HB ILE A 72 7.196 2.950 6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.412 5.861 5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.763 5.110 4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.901 3.633 6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.897 3.295 8.299 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.571 4.977 7.819 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.695 4.939 3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.252 3.322 4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.881 4.085 4.875 1.00 0.00 H new ATOM 1123 N ARG A 73 8.862 2.635 8.904 1.00 0.00 N ATOM 1124 CA ARG A 73 8.879 1.920 10.212 1.00 0.00 C ATOM 1125 C ARG A 73 10.039 2.435 11.068 1.00 0.00 C ATOM 1126 O ARG A 73 10.006 2.365 12.280 1.00 0.00 O ATOM 1127 CB ARG A 73 9.054 0.419 9.969 1.00 0.00 C ATOM 1128 CG ARG A 73 8.802 -0.343 11.271 1.00 0.00 C ATOM 1129 CD ARG A 73 8.999 -1.841 11.032 1.00 0.00 C ATOM 1130 NE ARG A 73 10.447 -2.123 10.818 1.00 0.00 N ATOM 1131 CZ ARG A 73 11.157 -2.656 11.774 1.00 0.00 C ATOM 1132 NH1 ARG A 73 10.939 -2.315 13.014 1.00 0.00 N ATOM 1133 NH2 ARG A 73 12.084 -3.529 11.490 1.00 0.00 N ATOM 0 H ARG A 73 9.401 2.191 8.160 1.00 0.00 H new ATOM 0 HA ARG A 73 7.939 2.100 10.733 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.361 0.082 9.198 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.061 0.214 9.605 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.484 0.005 12.046 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.790 -0.151 11.627 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.629 -2.408 11.886 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.423 -2.161 10.164 1.00 0.00 H new ATOM 0 HE ARG A 73 10.883 -1.899 9.924 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.214 -1.632 13.235 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.493 -2.731 13.762 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.254 -3.795 10.520 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.639 -3.945 12.238 1.00 0.00 H new ATOM 1147 N ALA A 74 11.066 2.948 10.449 1.00 0.00 N ATOM 1148 CA ALA A 74 12.225 3.465 11.232 1.00 0.00 C ATOM 1149 C ALA A 74 11.757 4.607 12.137 1.00 0.00 C ATOM 1150 O ALA A 74 12.318 4.850 13.188 1.00 0.00 O ATOM 1151 CB ALA A 74 13.301 3.980 10.275 1.00 0.00 C ATOM 0 H ALA A 74 11.154 3.032 9.436 1.00 0.00 H new ATOM 0 HA ALA A 74 12.639 2.662 11.842 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.148 4.358 10.849 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.634 3.167 9.630 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.890 4.783 9.664 1.00 0.00 H new ATOM 1157 N ASP A 75 10.733 5.307 11.737 1.00 0.00 N ATOM 1158 CA ASP A 75 10.224 6.434 12.570 1.00 0.00 C ATOM 1159 C ASP A 75 9.387 5.878 13.724 1.00 0.00 C ATOM 1160 O ASP A 75 8.203 5.650 13.590 1.00 0.00 O ATOM 1161 CB ASP A 75 9.356 7.350 11.705 1.00 0.00 C ATOM 1162 CG ASP A 75 8.514 6.502 10.750 1.00 0.00 C ATOM 1163 OD1 ASP A 75 7.423 6.118 11.137 1.00 0.00 O ATOM 1164 OD2 ASP A 75 8.975 6.250 9.650 1.00 0.00 O ATOM 0 H ASP A 75 10.225 5.148 10.867 1.00 0.00 H new ATOM 0 HA ASP A 75 11.064 7.000 12.972 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.708 7.957 12.337 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.985 8.037 11.140 1.00 0.00 H new ATOM 1169 N GLY A 76 9.993 5.656 14.859 1.00 0.00 N ATOM 1170 CA GLY A 76 9.232 5.111 16.021 1.00 0.00 C ATOM 1171 C GLY A 76 8.072 6.047 16.368 1.00 0.00 C ATOM 1172 O GLY A 76 7.090 5.640 16.957 1.00 0.00 O ATOM 0 H GLY A 76 10.983 5.829 15.032 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.851 4.118 15.784 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.893 5.002 16.881 1.00 0.00 H new ATOM 1176 N ALA A 77 8.177 7.299 16.013 1.00 0.00 N ATOM 1177 CA ALA A 77 7.078 8.255 16.329 1.00 0.00 C ATOM 1178 C ALA A 77 5.945 8.088 15.314 1.00 0.00 C ATOM 1179 O ALA A 77 4.869 8.628 15.478 1.00 0.00 O ATOM 1180 CB ALA A 77 7.614 9.687 16.267 1.00 0.00 C ATOM 0 H ALA A 77 8.974 7.700 15.519 1.00 0.00 H new ATOM 0 HA ALA A 77 6.698 8.052 17.330 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.811 10.387 16.498 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.419 9.806 16.993 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.995 9.890 15.266 1.00 0.00 H new ATOM 1186 N MET A 78 6.179 7.348 14.264 1.00 0.00 N ATOM 1187 CA MET A 78 5.113 7.152 13.241 1.00 0.00 C ATOM 1188 C MET A 78 5.266 5.773 12.592 1.00 0.00 C ATOM 1189 O MET A 78 4.776 5.532 11.507 1.00 0.00 O ATOM 1190 CB MET A 78 5.231 8.237 12.167 1.00 0.00 C ATOM 1191 CG MET A 78 4.696 9.561 12.715 1.00 0.00 C ATOM 1192 SD MET A 78 4.705 10.806 11.400 1.00 0.00 S ATOM 1193 CE MET A 78 4.223 12.218 12.423 1.00 0.00 C ATOM 0 H MET A 78 7.060 6.872 14.071 1.00 0.00 H new ATOM 0 HA MET A 78 4.137 7.218 13.721 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.272 8.351 11.864 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.670 7.946 11.279 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.684 9.427 13.096 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.310 9.895 13.551 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.166 13.113 11.804 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.249 12.025 12.874 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.963 12.367 13.209 1.00 0.00 H new ATOM 1203 N SER A 79 5.937 4.865 13.246 1.00 0.00 N ATOM 1204 CA SER A 79 6.111 3.506 12.660 1.00 0.00 C ATOM 1205 C SER A 79 4.802 2.727 12.787 1.00 0.00 C ATOM 1206 O SER A 79 4.722 1.744 13.496 1.00 0.00 O ATOM 1207 CB SER A 79 7.217 2.760 13.407 1.00 0.00 C ATOM 1208 OG SER A 79 6.842 2.603 14.769 1.00 0.00 O ATOM 0 H SER A 79 6.371 5.005 14.158 1.00 0.00 H new ATOM 0 HA SER A 79 6.383 3.599 11.609 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.386 1.785 12.950 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.154 3.312 13.337 1.00 0.00 H new ATOM 0 HG SER A 79 6.025 2.065 14.823 1.00 0.00 H new ATOM 1214 N ALA A 80 3.773 3.158 12.111 1.00 0.00 N ATOM 1215 CA ALA A 80 2.475 2.435 12.208 1.00 0.00 C ATOM 1216 C ALA A 80 1.685 2.573 10.904 1.00 0.00 C ATOM 1217 O ALA A 80 0.899 1.714 10.564 1.00 0.00 O ATOM 1218 CB ALA A 80 1.655 3.015 13.362 1.00 0.00 C ATOM 0 H ALA A 80 3.775 3.974 11.499 1.00 0.00 H new ATOM 0 HA ALA A 80 2.674 1.379 12.388 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.704 2.487 13.434 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.207 2.899 14.295 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.469 4.073 13.180 1.00 0.00 H new ATOM 1224 N LEU A 81 1.873 3.649 10.180 1.00 0.00 N ATOM 1225 CA LEU A 81 1.115 3.836 8.907 1.00 0.00 C ATOM 1226 C LEU A 81 1.103 2.507 8.106 1.00 0.00 C ATOM 1227 O LEU A 81 2.127 2.123 7.579 1.00 0.00 O ATOM 1228 CB LEU A 81 1.787 4.924 8.065 1.00 0.00 C ATOM 1229 CG LEU A 81 0.726 5.942 7.615 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.189 6.729 8.820 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.343 6.917 6.612 1.00 0.00 C ATOM 0 H LEU A 81 2.517 4.404 10.416 1.00 0.00 H new ATOM 0 HA LEU A 81 0.092 4.131 9.140 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.563 5.422 8.646 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.274 4.480 7.197 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.098 5.402 7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.561 7.445 8.482 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.263 6.039 9.533 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.009 7.262 9.301 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.589 7.638 6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.174 7.444 7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.706 6.366 5.745 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.033 1.820 8.043 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.118 0.531 7.318 1.00 0.00 C ATOM 1245 C PRO A 82 0.211 0.652 5.826 1.00 0.00 C ATOM 1246 O PRO A 82 -0.499 1.284 5.067 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.573 0.070 7.492 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.301 1.116 8.364 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.310 2.243 8.669 1.00 0.00 C ATOM 0 HA PRO A 82 0.613 -0.171 7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.062 -0.025 6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.608 -0.912 7.964 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.175 1.507 7.842 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.658 0.661 9.288 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.654 3.192 8.258 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.194 2.385 9.743 1.00 0.00 H new ATOM 1257 N VAL A 83 1.253 -0.016 5.400 1.00 0.00 N ATOM 1258 CA VAL A 83 1.615 -0.027 3.952 1.00 0.00 C ATOM 1259 C VAL A 83 1.346 -1.420 3.446 1.00 0.00 C ATOM 1260 O VAL A 83 2.101 -2.328 3.732 1.00 0.00 O ATOM 1261 CB VAL A 83 3.112 0.237 3.739 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.578 -0.413 2.415 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.377 1.730 3.666 1.00 0.00 C ATOM 0 H VAL A 83 1.874 -0.559 6.000 1.00 0.00 H new ATOM 0 HA VAL A 83 1.041 0.745 3.439 1.00 0.00 H new ATOM 0 HB VAL A 83 3.660 -0.192 4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.641 -0.222 2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.405 -1.488 2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.016 0.012 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.442 1.903 3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.818 2.159 2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.061 2.202 4.597 1.00 0.00 H new ATOM 1273 N LEU A 84 0.310 -1.628 2.697 1.00 0.00 N ATOM 1274 CA LEU A 84 0.101 -3.000 2.201 1.00 0.00 C ATOM 1275 C LEU A 84 0.835 -3.090 0.879 1.00 0.00 C ATOM 1276 O LEU A 84 0.418 -2.542 -0.122 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.399 -3.300 2.039 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.692 -4.781 1.659 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.558 -5.751 2.042 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.949 -5.234 2.398 1.00 0.00 C ATOM 0 H LEU A 84 -0.380 -0.932 2.415 1.00 0.00 H new ATOM 0 HA LEU A 84 0.483 -3.741 2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.913 -3.062 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.813 -2.646 1.271 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.804 -4.809 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.831 -6.764 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.359 -5.459 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.399 -5.717 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.168 -6.271 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.789 -5.152 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.789 -4.603 2.107 1.00 0.00 H new ATOM 1292 N MET A 85 1.956 -3.749 0.881 1.00 0.00 N ATOM 1293 CA MET A 85 2.745 -3.836 -0.364 1.00 0.00 C ATOM 1294 C MET A 85 2.153 -4.925 -1.255 1.00 0.00 C ATOM 1295 O MET A 85 2.078 -6.083 -0.891 1.00 0.00 O ATOM 1296 CB MET A 85 4.206 -4.140 -0.016 1.00 0.00 C ATOM 1297 CG MET A 85 5.117 -3.138 -0.733 1.00 0.00 C ATOM 1298 SD MET A 85 6.839 -3.450 -0.273 1.00 0.00 S ATOM 1299 CE MET A 85 7.614 -2.335 -1.467 1.00 0.00 C ATOM 0 H MET A 85 2.355 -4.227 1.689 1.00 0.00 H new ATOM 0 HA MET A 85 2.710 -2.890 -0.904 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.355 -4.078 1.062 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.459 -5.157 -0.315 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.996 -3.228 -1.812 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.837 -2.119 -0.465 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.677 -2.564 -1.542 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.146 -2.464 -2.443 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.487 -1.304 -1.137 1.00 0.00 H new ATOM 1309 N VAL A 86 1.703 -4.547 -2.412 1.00 0.00 N ATOM 1310 CA VAL A 86 1.080 -5.528 -3.334 1.00 0.00 C ATOM 1311 C VAL A 86 2.058 -5.873 -4.461 1.00 0.00 C ATOM 1312 O VAL A 86 2.887 -5.073 -4.837 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.194 -4.905 -3.902 1.00 0.00 C ATOM 1314 CG1 VAL A 86 0.014 -3.419 -4.153 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.574 -5.607 -5.197 1.00 0.00 C ATOM 0 H VAL A 86 1.740 -3.590 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 86 0.835 -6.448 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.002 -5.025 -3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.901 -2.987 -4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.266 -2.923 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.827 -3.281 -4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.483 -5.160 -5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.234 -5.499 -5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.746 -6.665 -5.000 1.00 0.00 H new ATOM 1325 N THR A 87 1.974 -7.061 -5.003 1.00 0.00 N ATOM 1326 CA THR A 87 2.910 -7.439 -6.106 1.00 0.00 C ATOM 1327 C THR A 87 2.235 -8.440 -7.047 1.00 0.00 C ATOM 1328 O THR A 87 1.213 -9.010 -6.731 1.00 0.00 O ATOM 1329 CB THR A 87 4.179 -8.062 -5.515 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.209 -8.042 -6.494 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.898 -9.505 -5.097 1.00 0.00 C ATOM 0 H THR A 87 1.304 -7.781 -4.733 1.00 0.00 H new ATOM 0 HA THR A 87 3.175 -6.544 -6.669 1.00 0.00 H new ATOM 0 HB THR A 87 4.492 -7.491 -4.641 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.024 -8.438 -6.120 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.803 -9.945 -4.677 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.106 -9.519 -4.348 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.584 -10.081 -5.967 1.00 0.00 H new ATOM 1339 N ALA A 88 2.801 -8.657 -8.204 1.00 0.00 N ATOM 1340 CA ALA A 88 2.188 -9.619 -9.165 1.00 0.00 C ATOM 1341 C ALA A 88 2.761 -11.015 -8.924 1.00 0.00 C ATOM 1342 O ALA A 88 2.318 -11.734 -8.050 1.00 0.00 O ATOM 1343 CB ALA A 88 2.498 -9.181 -10.596 1.00 0.00 C ATOM 0 H ALA A 88 3.660 -8.210 -8.525 1.00 0.00 H new ATOM 0 HA ALA A 88 1.108 -9.639 -9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.050 -9.885 -11.297 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.088 -8.186 -10.769 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.578 -9.160 -10.744 1.00 0.00 H new ATOM 1349 N GLU A 89 3.742 -11.405 -9.689 1.00 0.00 N ATOM 1350 CA GLU A 89 4.340 -12.755 -9.496 1.00 0.00 C ATOM 1351 C GLU A 89 4.899 -12.856 -8.076 1.00 0.00 C ATOM 1352 O GLU A 89 6.080 -12.689 -7.851 1.00 0.00 O ATOM 1353 CB GLU A 89 5.470 -12.965 -10.507 1.00 0.00 C ATOM 1354 CG GLU A 89 4.875 -13.157 -11.904 1.00 0.00 C ATOM 1355 CD GLU A 89 4.086 -11.908 -12.301 1.00 0.00 C ATOM 1356 OE1 GLU A 89 4.675 -10.840 -12.318 1.00 0.00 O ATOM 1357 OE2 GLU A 89 2.906 -12.042 -12.581 1.00 0.00 O ATOM 0 H GLU A 89 4.155 -10.849 -10.438 1.00 0.00 H new ATOM 0 HA GLU A 89 3.577 -13.519 -9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.142 -12.107 -10.501 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.063 -13.836 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.670 -13.343 -12.627 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.223 -14.030 -11.916 1.00 0.00 H new ATOM 1364 N ALA A 90 4.055 -13.122 -7.117 1.00 0.00 N ATOM 1365 CA ALA A 90 4.530 -13.230 -5.710 1.00 0.00 C ATOM 1366 C ALA A 90 5.367 -14.499 -5.550 1.00 0.00 C ATOM 1367 O ALA A 90 4.955 -15.446 -4.910 1.00 0.00 O ATOM 1368 CB ALA A 90 3.326 -13.294 -4.767 1.00 0.00 C ATOM 0 H ALA A 90 3.054 -13.269 -7.248 1.00 0.00 H new ATOM 0 HA ALA A 90 5.138 -12.359 -5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.674 -13.373 -3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.727 -12.390 -4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.718 -14.165 -5.012 1.00 0.00 H new ATOM 1374 N LYS A 91 6.541 -14.526 -6.120 1.00 0.00 N ATOM 1375 CA LYS A 91 7.397 -15.735 -5.988 1.00 0.00 C ATOM 1376 C LYS A 91 7.448 -16.142 -4.514 1.00 0.00 C ATOM 1377 O LYS A 91 6.677 -16.966 -4.065 1.00 0.00 O ATOM 1378 CB LYS A 91 8.811 -15.419 -6.497 1.00 0.00 C ATOM 1379 CG LYS A 91 9.039 -16.081 -7.861 1.00 0.00 C ATOM 1380 CD LYS A 91 8.091 -15.470 -8.898 1.00 0.00 C ATOM 1381 CE LYS A 91 7.281 -16.581 -9.569 1.00 0.00 C ATOM 1382 NZ LYS A 91 8.209 -17.554 -10.213 1.00 0.00 N ATOM 0 H LYS A 91 6.942 -13.765 -6.669 1.00 0.00 H new ATOM 0 HA LYS A 91 6.985 -16.553 -6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.943 -14.340 -6.581 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.552 -15.777 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.074 -15.943 -8.174 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.869 -17.155 -7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.421 -14.757 -8.418 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.660 -14.918 -9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.660 -17.089 -8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.608 -16.156 -10.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.760 -17.952 -11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.089 -17.069 -10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.427 -18.321 -9.545 1.00 0.00 H new ATOM 1396 N LYS A 92 8.340 -15.559 -3.759 1.00 0.00 N ATOM 1397 CA LYS A 92 8.446 -15.892 -2.308 1.00 0.00 C ATOM 1398 C LYS A 92 9.578 -15.068 -1.690 1.00 0.00 C ATOM 1399 O LYS A 92 9.371 -14.301 -0.772 1.00 0.00 O ATOM 1400 CB LYS A 92 8.739 -17.389 -2.110 1.00 0.00 C ATOM 1401 CG LYS A 92 9.912 -17.834 -2.995 1.00 0.00 C ATOM 1402 CD LYS A 92 9.820 -19.341 -3.240 1.00 0.00 C ATOM 1403 CE LYS A 92 9.761 -20.077 -1.900 1.00 0.00 C ATOM 1404 NZ LYS A 92 8.340 -20.228 -1.478 1.00 0.00 N ATOM 0 H LYS A 92 9.006 -14.860 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 92 7.498 -15.658 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.972 -17.584 -1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.852 -17.974 -2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.890 -17.298 -3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.859 -17.590 -2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.933 -19.570 -3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.682 -19.679 -3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.231 -21.056 -1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.319 -19.524 -1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.175 -21.203 -1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.137 -19.567 -0.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.715 -20.019 -2.283 1.00 0.00 H new ATOM 1418 N GLU A 93 10.774 -15.221 -2.188 1.00 0.00 N ATOM 1419 CA GLU A 93 11.918 -14.451 -1.636 1.00 0.00 C ATOM 1420 C GLU A 93 11.598 -12.954 -1.675 1.00 0.00 C ATOM 1421 O GLU A 93 11.993 -12.203 -0.807 1.00 0.00 O ATOM 1422 CB GLU A 93 13.171 -14.723 -2.473 1.00 0.00 C ATOM 1423 CG GLU A 93 13.217 -16.203 -2.859 1.00 0.00 C ATOM 1424 CD GLU A 93 14.615 -16.552 -3.375 1.00 0.00 C ATOM 1425 OE1 GLU A 93 15.453 -15.666 -3.400 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.822 -17.698 -3.735 1.00 0.00 O ATOM 0 H GLU A 93 11.007 -15.850 -2.957 1.00 0.00 H new ATOM 0 HA GLU A 93 12.094 -14.759 -0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.164 -14.103 -3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.064 -14.456 -1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.971 -16.823 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.472 -16.413 -3.626 1.00 0.00 H new ATOM 1433 N ASN A 94 10.887 -12.516 -2.679 1.00 0.00 N ATOM 1434 CA ASN A 94 10.547 -11.069 -2.778 1.00 0.00 C ATOM 1435 C ASN A 94 9.380 -10.746 -1.842 1.00 0.00 C ATOM 1436 O ASN A 94 9.069 -9.597 -1.598 1.00 0.00 O ATOM 1437 CB ASN A 94 10.152 -10.736 -4.218 1.00 0.00 C ATOM 1438 CG ASN A 94 11.224 -9.847 -4.849 1.00 0.00 C ATOM 1439 OD1 ASN A 94 11.125 -8.637 -4.811 1.00 0.00 O ATOM 1440 ND2 ASN A 94 12.251 -10.400 -5.432 1.00 0.00 N ATOM 0 H ASN A 94 10.527 -13.099 -3.435 1.00 0.00 H new ATOM 0 HA ASN A 94 11.414 -10.475 -2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.038 -11.653 -4.796 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.188 -10.228 -4.233 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.972 -9.816 -5.856 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.333 -11.416 -5.464 1.00 0.00 H new ATOM 1447 N ILE A 95 8.733 -11.746 -1.313 1.00 0.00 N ATOM 1448 CA ILE A 95 7.592 -11.486 -0.392 1.00 0.00 C ATOM 1449 C ILE A 95 8.130 -11.271 1.020 1.00 0.00 C ATOM 1450 O ILE A 95 8.056 -10.185 1.560 1.00 0.00 O ATOM 1451 CB ILE A 95 6.634 -12.684 -0.398 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.994 -12.850 -1.789 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.544 -12.482 0.657 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.280 -11.561 -2.224 1.00 0.00 C ATOM 0 H ILE A 95 8.944 -12.730 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 95 7.053 -10.598 -0.722 1.00 0.00 H new ATOM 0 HB ILE A 95 7.198 -13.587 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.762 -13.108 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.282 -13.675 -1.770 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.866 -13.336 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.003 -12.393 1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.985 -11.573 0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.837 -11.705 -3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.497 -11.319 -1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.999 -10.743 -2.266 1.00 0.00 H new ATOM 1466 N ILE A 96 8.679 -12.290 1.622 1.00 0.00 N ATOM 1467 CA ILE A 96 9.227 -12.125 2.994 1.00 0.00 C ATOM 1468 C ILE A 96 10.098 -10.871 3.024 1.00 0.00 C ATOM 1469 O ILE A 96 10.330 -10.289 4.063 1.00 0.00 O ATOM 1470 CB ILE A 96 10.067 -13.347 3.366 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.162 -14.579 3.485 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.768 -13.099 4.703 1.00 0.00 C ATOM 1473 CD1 ILE A 96 9.560 -15.608 2.425 1.00 0.00 C ATOM 0 H ILE A 96 8.771 -13.225 1.224 1.00 0.00 H new ATOM 0 HA ILE A 96 8.411 -12.028 3.711 1.00 0.00 H new ATOM 0 HB ILE A 96 10.813 -13.520 2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.250 -15.014 4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.119 -14.291 3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.367 -13.971 4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.416 -12.226 4.618 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.022 -12.923 5.478 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.917 -16.484 2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.449 -15.170 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 96 10.598 -15.904 2.577 1.00 0.00 H new ATOM 1485 N ALA A 97 10.567 -10.440 1.883 1.00 0.00 N ATOM 1486 CA ALA A 97 11.407 -9.211 1.843 1.00 0.00 C ATOM 1487 C ALA A 97 10.612 -8.059 2.448 1.00 0.00 C ATOM 1488 O ALA A 97 10.972 -7.513 3.471 1.00 0.00 O ATOM 1489 CB ALA A 97 11.770 -8.883 0.393 1.00 0.00 C ATOM 0 H ALA A 97 10.404 -10.886 0.980 1.00 0.00 H new ATOM 0 HA ALA A 97 12.325 -9.367 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.385 -7.983 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.325 -9.715 -0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.859 -8.717 -0.182 1.00 0.00 H new ATOM 1495 N ALA A 98 9.523 -7.694 1.835 1.00 0.00 N ATOM 1496 CA ALA A 98 8.700 -6.587 2.394 1.00 0.00 C ATOM 1497 C ALA A 98 8.456 -6.862 3.864 1.00 0.00 C ATOM 1498 O ALA A 98 8.788 -6.073 4.727 1.00 0.00 O ATOM 1499 CB ALA A 98 7.341 -6.533 1.703 1.00 0.00 C ATOM 0 H ALA A 98 9.168 -8.112 0.975 1.00 0.00 H new ATOM 0 HA ALA A 98 9.228 -5.645 2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.751 -5.718 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.482 -6.366 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.817 -7.477 1.856 1.00 0.00 H new ATOM 1505 N ALA A 99 7.852 -7.977 4.153 1.00 0.00 N ATOM 1506 CA ALA A 99 7.557 -8.307 5.556 1.00 0.00 C ATOM 1507 C ALA A 99 8.855 -8.288 6.369 1.00 0.00 C ATOM 1508 O ALA A 99 8.839 -8.075 7.564 1.00 0.00 O ATOM 1509 CB ALA A 99 6.923 -9.694 5.637 1.00 0.00 C ATOM 0 H ALA A 99 7.552 -8.672 3.470 1.00 0.00 H new ATOM 0 HA ALA A 99 6.863 -7.571 5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.706 -9.935 6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.997 -9.705 5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.612 -10.434 5.230 1.00 0.00 H new ATOM 1515 N GLN A 100 9.988 -8.494 5.735 1.00 0.00 N ATOM 1516 CA GLN A 100 11.267 -8.452 6.502 1.00 0.00 C ATOM 1517 C GLN A 100 11.256 -7.144 7.271 1.00 0.00 C ATOM 1518 O GLN A 100 11.753 -7.033 8.374 1.00 0.00 O ATOM 1519 CB GLN A 100 12.466 -8.480 5.551 1.00 0.00 C ATOM 1520 CG GLN A 100 13.718 -8.904 6.321 1.00 0.00 C ATOM 1521 CD GLN A 100 14.901 -9.006 5.357 1.00 0.00 C ATOM 1522 OE1 GLN A 100 15.940 -8.417 5.587 1.00 0.00 O ATOM 1523 NE2 GLN A 100 14.788 -9.732 4.280 1.00 0.00 N ATOM 0 H GLN A 100 10.078 -8.686 4.737 1.00 0.00 H new ATOM 0 HA GLN A 100 11.353 -9.313 7.165 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.278 -9.174 4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.615 -7.496 5.107 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.937 -8.181 7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.550 -9.864 6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.917 -10.226 4.087 1.00 0.00 H new ATOM 0 HE22 GLN A 100 15.571 -9.806 3.630 1.00 0.00 H new ATOM 1532 N ALA A 101 10.634 -6.162 6.687 1.00 0.00 N ATOM 1533 CA ALA A 101 10.500 -4.845 7.349 1.00 0.00 C ATOM 1534 C ALA A 101 9.194 -4.891 8.138 1.00 0.00 C ATOM 1535 O ALA A 101 9.005 -4.195 9.115 1.00 0.00 O ATOM 1536 CB ALA A 101 10.436 -3.751 6.285 1.00 0.00 C ATOM 0 H ALA A 101 10.207 -6.221 5.763 1.00 0.00 H new ATOM 0 HA ALA A 101 11.344 -4.632 8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.337 -2.779 6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.349 -3.769 5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.576 -3.923 5.637 1.00 0.00 H new ATOM 1542 N GLY A 102 8.308 -5.759 7.719 1.00 0.00 N ATOM 1543 CA GLY A 102 7.016 -5.939 8.423 1.00 0.00 C ATOM 1544 C GLY A 102 6.119 -4.725 8.257 1.00 0.00 C ATOM 1545 O GLY A 102 5.962 -3.949 9.179 1.00 0.00 O ATOM 0 H GLY A 102 8.434 -6.358 6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.509 -6.823 8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.199 -6.115 9.483 1.00 0.00 H new ATOM 1549 N ALA A 103 5.501 -4.537 7.116 1.00 0.00 N ATOM 1550 CA ALA A 103 4.619 -3.347 7.015 1.00 0.00 C ATOM 1551 C ALA A 103 3.208 -3.719 7.450 1.00 0.00 C ATOM 1552 O ALA A 103 2.957 -4.081 8.582 1.00 0.00 O ATOM 1553 CB ALA A 103 4.540 -2.960 5.541 1.00 0.00 C ATOM 0 H ALA A 103 5.566 -5.129 6.288 1.00 0.00 H new ATOM 0 HA ALA A 103 5.010 -2.542 7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.898 -2.086 5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.539 -2.727 5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.127 -3.790 4.968 1.00 0.00 H new ATOM 1559 N SER A 104 2.314 -3.711 6.517 1.00 0.00 N ATOM 1560 CA SER A 104 0.918 -4.151 6.793 1.00 0.00 C ATOM 1561 C SER A 104 0.823 -5.635 6.485 1.00 0.00 C ATOM 1562 O SER A 104 0.310 -6.435 7.242 1.00 0.00 O ATOM 1563 CB SER A 104 -0.082 -3.367 5.947 1.00 0.00 C ATOM 1564 OG SER A 104 -0.547 -4.188 4.887 1.00 0.00 O ATOM 0 H SER A 104 2.487 -3.415 5.556 1.00 0.00 H new ATOM 0 HA SER A 104 0.674 -3.964 7.839 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.920 -3.040 6.563 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.388 -2.469 5.547 1.00 0.00 H new ATOM 0 HG SER A 104 -1.522 -4.116 4.821 1.00 0.00 H new ATOM 1570 N GLY A 105 1.310 -5.973 5.318 1.00 0.00 N ATOM 1571 CA GLY A 105 1.273 -7.377 4.827 1.00 0.00 C ATOM 1572 C GLY A 105 1.561 -7.377 3.322 1.00 0.00 C ATOM 1573 O GLY A 105 2.049 -6.398 2.778 1.00 0.00 O ATOM 0 H GLY A 105 1.742 -5.314 4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.012 -7.981 5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.298 -7.821 5.025 1.00 0.00 H new ATOM 1577 N TYR A 106 1.243 -8.453 2.644 1.00 0.00 N ATOM 1578 CA TYR A 106 1.469 -8.504 1.168 1.00 0.00 C ATOM 1579 C TYR A 106 0.258 -9.129 0.500 1.00 0.00 C ATOM 1580 O TYR A 106 -0.306 -10.090 0.981 1.00 0.00 O ATOM 1581 CB TYR A 106 2.714 -9.330 0.819 1.00 0.00 C ATOM 1582 CG TYR A 106 2.364 -10.422 -0.190 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.024 -10.107 -1.525 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.400 -11.765 0.210 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.724 -11.137 -2.430 1.00 0.00 C ATOM 1586 CE2 TYR A 106 2.105 -12.783 -0.696 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.768 -12.474 -2.011 1.00 0.00 C ATOM 1588 OH TYR A 106 1.486 -13.492 -2.898 1.00 0.00 O ATOM 0 H TYR A 106 0.837 -9.296 3.049 1.00 0.00 H new ATOM 0 HA TYR A 106 1.622 -7.485 0.812 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.486 -8.680 0.407 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.125 -9.780 1.723 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.995 -9.077 -1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.658 -12.013 1.229 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.459 -10.899 -3.450 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.138 -13.814 -0.377 1.00 0.00 H new ATOM 0 HH TYR A 106 0.719 -14.007 -2.572 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.133 -8.587 -0.613 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.304 -9.139 -1.347 1.00 0.00 C ATOM 1600 C VAL A 107 -0.932 -9.248 -2.820 1.00 0.00 C ATOM 1601 O VAL A 107 -0.122 -8.491 -3.317 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.493 -8.196 -1.183 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.149 -6.860 -1.827 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.727 -8.789 -1.865 1.00 0.00 C ATOM 0 H VAL A 107 0.310 -7.779 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.574 -10.120 -0.955 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.708 -8.057 -0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.990 -6.176 -1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.271 -6.436 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.939 -7.010 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.571 -8.110 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.524 -8.929 -2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.967 -9.751 -1.411 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.500 -10.181 -3.526 1.00 0.00 N ATOM 1615 CA VAL A 108 -1.149 -10.318 -4.962 1.00 0.00 C ATOM 1616 C VAL A 108 -2.113 -9.468 -5.812 1.00 0.00 C ATOM 1617 O VAL A 108 -3.198 -9.142 -5.372 1.00 0.00 O ATOM 1618 CB VAL A 108 -1.285 -11.784 -5.384 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -0.880 -11.939 -6.851 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.380 -12.653 -4.517 1.00 0.00 C ATOM 0 H VAL A 108 -2.186 -10.849 -3.175 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.124 -9.980 -5.113 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.321 -12.097 -5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.978 -12.983 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.528 -11.323 -7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.155 -11.622 -6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.479 -13.696 -4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.656 -12.336 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.669 -12.549 -3.471 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.744 -9.136 -7.031 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.660 -8.336 -7.918 1.00 0.00 C ATOM 1632 C LYS A 109 -2.784 -9.051 -9.274 1.00 0.00 C ATOM 1633 O LYS A 109 -1.879 -9.766 -9.654 1.00 0.00 O ATOM 1634 CB LYS A 109 -2.081 -6.936 -8.161 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.562 -6.992 -8.293 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.072 -5.655 -8.855 1.00 0.00 C ATOM 1637 CE LYS A 109 1.445 -5.548 -8.709 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.984 -4.669 -9.785 1.00 0.00 N ATOM 0 H LYS A 109 -0.848 -9.384 -7.451 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.632 -8.246 -7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.514 -6.511 -9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.355 -6.277 -7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.105 -7.185 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.269 -7.810 -8.952 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.351 -5.569 -9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.555 -4.832 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.700 -5.141 -7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.898 -6.537 -8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.017 -4.595 -9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.752 -5.075 -10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.560 -3.723 -9.705 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.863 -8.817 -10.004 1.00 0.00 N ATOM 1653 CA PRO A 110 -5.002 -7.953 -9.597 1.00 0.00 C ATOM 1654 C PRO A 110 -5.867 -8.659 -8.549 1.00 0.00 C ATOM 1655 O PRO A 110 -6.365 -9.745 -8.777 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.833 -7.781 -10.879 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.145 -8.599 -11.999 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.991 -9.383 -11.357 1.00 0.00 C ATOM 0 HA PRO A 110 -4.659 -7.011 -9.169 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.854 -8.130 -10.723 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.895 -6.729 -11.157 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.856 -9.279 -12.469 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.771 -7.939 -12.781 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.209 -10.450 -11.321 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.068 -9.265 -11.925 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.065 -8.053 -7.409 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.917 -8.704 -6.377 1.00 0.00 C ATOM 1668 C PHE A 111 -8.363 -8.275 -6.578 1.00 0.00 C ATOM 1669 O PHE A 111 -8.642 -7.306 -7.256 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.480 -8.296 -4.953 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.081 -6.833 -4.878 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.010 -5.816 -5.160 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.775 -6.490 -4.516 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.622 -4.475 -5.088 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.394 -5.148 -4.446 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.313 -4.141 -4.736 1.00 0.00 C ATOM 0 H PHE A 111 -5.678 -7.145 -7.151 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.813 -9.784 -6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.296 -8.486 -4.255 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.641 -8.917 -4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.024 -6.071 -5.432 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.058 -7.265 -4.290 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.337 -3.695 -5.305 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.383 -4.890 -4.166 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.013 -3.105 -4.688 1.00 0.00 H new ATOM 1686 N THR A 112 -9.276 -8.959 -5.953 1.00 0.00 N ATOM 1687 CA THR A 112 -10.701 -8.553 -6.053 1.00 0.00 C ATOM 1688 C THR A 112 -11.020 -7.783 -4.782 1.00 0.00 C ATOM 1689 O THR A 112 -10.257 -7.796 -3.837 1.00 0.00 O ATOM 1690 CB THR A 112 -11.623 -9.769 -6.161 1.00 0.00 C ATOM 1691 OG1 THR A 112 -12.928 -9.404 -5.731 1.00 0.00 O ATOM 1692 CG2 THR A 112 -11.101 -10.906 -5.286 1.00 0.00 C ATOM 0 H THR A 112 -9.097 -9.782 -5.377 1.00 0.00 H new ATOM 0 HA THR A 112 -10.859 -7.950 -6.947 1.00 0.00 H new ATOM 0 HB THR A 112 -11.652 -10.105 -7.197 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.524 -10.179 -5.800 1.00 0.00 H new ATOM 0 HG21 THR A 112 -11.766 -11.766 -5.372 1.00 0.00 H new ATOM 0 HG22 THR A 112 -10.100 -11.187 -5.614 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.064 -10.578 -4.247 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.117 -7.108 -4.738 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.438 -6.340 -3.507 1.00 0.00 C ATOM 1702 C ALA A 113 -12.594 -7.311 -2.345 1.00 0.00 C ATOM 1703 O ALA A 113 -12.177 -7.037 -1.237 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.732 -5.548 -3.705 1.00 0.00 C ATOM 0 H ALA A 113 -12.805 -7.049 -5.489 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.632 -5.639 -3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.959 -4.989 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.611 -4.855 -4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.550 -6.235 -3.921 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.171 -8.453 -2.582 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.319 -9.429 -1.476 1.00 0.00 C ATOM 1712 C ALA A 114 -11.933 -9.911 -1.070 1.00 0.00 C ATOM 1713 O ALA A 114 -11.711 -10.321 0.051 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.175 -10.612 -1.934 1.00 0.00 C ATOM 0 H ALA A 114 -13.542 -8.749 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.811 -8.958 -0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.279 -11.324 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.161 -10.254 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.696 -11.101 -2.782 1.00 0.00 H new ATOM 1720 N THR A 115 -10.989 -9.839 -1.965 1.00 0.00 N ATOM 1721 CA THR A 115 -9.612 -10.266 -1.615 1.00 0.00 C ATOM 1722 C THR A 115 -8.966 -9.139 -0.808 1.00 0.00 C ATOM 1723 O THR A 115 -8.759 -9.277 0.379 1.00 0.00 O ATOM 1724 CB THR A 115 -8.815 -10.551 -2.887 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.240 -11.791 -3.436 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.318 -10.626 -2.566 1.00 0.00 C ATOM 0 H THR A 115 -11.113 -9.504 -2.920 1.00 0.00 H new ATOM 0 HA THR A 115 -9.629 -11.182 -1.024 1.00 0.00 H new ATOM 0 HB THR A 115 -8.985 -9.748 -3.604 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.631 -12.056 -4.156 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.760 -10.830 -3.480 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.989 -9.677 -2.143 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.140 -11.425 -1.846 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.659 -8.011 -1.419 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.057 -6.907 -0.623 1.00 0.00 C ATOM 1736 C LEU A 116 -8.857 -6.724 0.671 1.00 0.00 C ATOM 1737 O LEU A 116 -8.310 -6.413 1.709 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.113 -5.607 -1.423 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.943 -4.697 -1.022 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.611 -5.300 -1.481 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.123 -3.323 -1.670 1.00 0.00 C ATOM 0 H LEU A 116 -8.799 -7.818 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.020 -7.153 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.067 -5.824 -2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.060 -5.098 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.931 -4.600 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.793 -4.641 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.474 -6.277 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.616 -5.411 -2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.293 -2.675 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.144 -3.432 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.060 -2.881 -1.332 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.153 -6.901 0.616 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.979 -6.720 1.840 1.00 0.00 C ATOM 1755 C GLU A 117 -10.642 -7.788 2.888 1.00 0.00 C ATOM 1756 O GLU A 117 -10.190 -7.481 3.973 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.461 -6.814 1.476 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.312 -6.709 2.743 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.865 -8.089 3.101 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -14.873 -8.469 2.528 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -13.273 -8.743 3.944 1.00 0.00 O ATOM 0 H GLU A 117 -10.670 -7.162 -0.223 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.762 -5.738 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.726 -6.017 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.662 -7.758 0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.712 -6.321 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.131 -6.007 2.587 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.878 -9.035 2.583 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.592 -10.116 3.576 1.00 0.00 C ATOM 1770 C GLU A 118 -9.214 -9.900 4.209 1.00 0.00 C ATOM 1771 O GLU A 118 -8.981 -10.263 5.346 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.648 -11.488 2.889 1.00 0.00 C ATOM 1773 CG GLU A 118 -9.262 -11.885 2.371 1.00 0.00 C ATOM 1774 CD GLU A 118 -9.407 -13.000 1.334 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -10.292 -12.894 0.500 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -8.632 -13.940 1.390 1.00 0.00 O ATOM 0 H GLU A 118 -11.256 -9.354 1.691 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.347 -10.083 4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.009 -12.239 3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.357 -11.459 2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.767 -11.022 1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.635 -12.221 3.197 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.299 -9.309 3.491 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.946 -9.071 4.065 1.00 0.00 C ATOM 1785 C LYS A 119 -6.967 -7.763 4.856 1.00 0.00 C ATOM 1786 O LYS A 119 -6.285 -7.612 5.851 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.919 -8.972 2.934 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.308 -10.351 2.677 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.671 -10.378 1.285 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.613 -11.481 1.229 1.00 0.00 C ATOM 1791 NZ LYS A 119 -4.249 -12.797 1.520 1.00 0.00 N ATOM 0 H LYS A 119 -8.430 -8.981 2.534 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.673 -9.896 4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.396 -8.599 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.138 -8.260 3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.558 -10.575 3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.077 -11.120 2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.435 -10.553 0.527 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.217 -9.412 1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.145 -11.501 0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.823 -11.279 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.598 -13.563 1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.463 -12.862 2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.130 -12.885 0.974 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.752 -6.817 4.419 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.831 -5.516 5.138 1.00 0.00 C ATOM 1807 C LEU A 120 -8.467 -5.731 6.513 1.00 0.00 C ATOM 1808 O LEU A 120 -7.934 -5.325 7.526 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.695 -4.548 4.326 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.377 -3.110 4.742 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.242 -2.561 3.877 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.620 -2.232 4.560 1.00 0.00 C ATOM 0 H LEU A 120 -8.344 -6.890 3.592 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.830 -5.103 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.505 -4.680 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.751 -4.761 4.491 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.074 -3.102 5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.019 -1.537 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.354 -3.179 4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.543 -2.575 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.390 -1.209 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.925 -2.246 3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.431 -2.616 5.179 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.606 -6.363 6.554 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.282 -6.602 7.861 1.00 0.00 C ATOM 1826 C ASN A 121 -9.313 -7.284 8.825 1.00 0.00 C ATOM 1827 O ASN A 121 -8.993 -6.764 9.877 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.498 -7.504 7.645 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.331 -7.556 8.926 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.568 -6.453 9.582 1.00 0.00 O flip ATOM 1831 ND2 ASN A 121 -12.771 -8.612 9.335 1.00 0.00 N flip ATOM 0 H ASN A 121 -10.100 -6.725 5.738 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.601 -5.648 8.282 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -12.103 -7.125 6.821 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.175 -8.507 7.368 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -12.586 -9.474 8.823 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.325 -8.636 10.191 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.853 -8.449 8.477 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.912 -9.185 9.370 1.00 0.00 C ATOM 1840 C LYS A 122 -6.728 -8.288 9.742 1.00 0.00 C ATOM 1841 O LYS A 122 -6.127 -8.446 10.785 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.396 -10.432 8.648 1.00 0.00 C ATOM 1843 CG LYS A 122 -6.806 -11.406 9.671 1.00 0.00 C ATOM 1844 CD LYS A 122 -7.870 -12.428 10.076 1.00 0.00 C ATOM 1845 CE LYS A 122 -7.379 -13.226 11.285 1.00 0.00 C ATOM 1846 NZ LYS A 122 -8.092 -12.764 12.509 1.00 0.00 N ATOM 0 H LYS A 122 -9.088 -8.929 7.608 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.439 -9.476 10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -8.208 -10.911 8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.638 -10.154 7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.940 -11.915 9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.457 -10.861 10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -8.804 -11.920 10.317 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -8.079 -13.100 9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -7.556 -14.290 11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.304 -13.097 11.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.758 -13.307 13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.901 -11.753 12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -9.115 -12.909 12.391 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.380 -7.354 8.899 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.226 -6.465 9.218 1.00 0.00 C ATOM 1862 C ILE A 123 -5.645 -5.414 10.247 1.00 0.00 C ATOM 1863 O ILE A 123 -4.923 -5.130 11.182 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.749 -5.765 7.943 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.800 -6.694 7.182 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.011 -4.474 8.310 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.560 -6.139 5.776 1.00 0.00 C ATOM 0 H ILE A 123 -6.841 -7.168 8.008 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.416 -7.068 9.629 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.608 -5.524 7.317 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.854 -6.782 7.716 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.226 -7.696 7.121 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.672 -3.977 7.401 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.684 -3.813 8.855 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.151 -4.712 8.935 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.884 -6.801 5.234 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.509 -6.074 5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.116 -5.146 5.848 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.797 -4.823 10.083 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.231 -3.784 11.054 1.00 0.00 C ATOM 1881 C PHE A 124 -7.483 -4.423 12.419 1.00 0.00 C ATOM 1882 O PHE A 124 -7.728 -3.742 13.394 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.505 -3.102 10.550 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.124 -1.941 9.660 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.416 -0.852 10.189 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.462 -1.961 8.301 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.048 0.212 9.359 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.095 -0.891 7.476 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.389 0.188 8.005 1.00 0.00 C ATOM 0 H PHE A 124 -7.451 -5.014 9.324 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.445 -3.036 11.153 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.119 -3.813 9.998 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.102 -2.751 11.392 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.155 -0.835 11.237 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.004 -2.800 7.890 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.501 1.050 9.764 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.359 -0.902 6.429 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.104 1.010 7.365 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.409 -5.721 12.507 1.00 0.00 N ATOM 1900 CA GLU A 125 -7.624 -6.379 13.823 1.00 0.00 C ATOM 1901 C GLU A 125 -6.428 -6.062 14.717 1.00 0.00 C ATOM 1902 O GLU A 125 -6.521 -6.063 15.929 1.00 0.00 O ATOM 1903 CB GLU A 125 -7.741 -7.894 13.633 1.00 0.00 C ATOM 1904 CG GLU A 125 -8.393 -8.514 14.871 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.896 -8.232 14.852 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -10.330 -7.497 13.979 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -10.587 -8.753 15.711 1.00 0.00 O ATOM 0 H GLU A 125 -7.210 -6.351 11.730 1.00 0.00 H new ATOM 0 HA GLU A 125 -8.543 -6.013 14.280 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.335 -8.115 12.746 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.754 -8.328 13.472 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.214 -9.589 14.889 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -7.946 -8.101 15.776 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.306 -5.772 14.119 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.095 -5.432 14.913 1.00 0.00 C ATOM 1916 C LYS A 126 -4.005 -3.911 15.039 1.00 0.00 C ATOM 1917 O LYS A 126 -3.415 -3.386 15.962 1.00 0.00 O ATOM 1918 CB LYS A 126 -2.850 -5.960 14.198 1.00 0.00 C ATOM 1919 CG LYS A 126 -2.913 -7.486 14.118 1.00 0.00 C ATOM 1920 CD LYS A 126 -1.705 -8.005 13.336 1.00 0.00 C ATOM 1921 CE LYS A 126 -1.863 -9.507 13.087 1.00 0.00 C ATOM 1922 NZ LYS A 126 -0.556 -10.077 12.654 1.00 0.00 N ATOM 0 H LYS A 126 -5.176 -5.756 13.107 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.158 -5.885 15.902 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -2.786 -5.536 13.196 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -1.952 -5.651 14.733 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -2.922 -7.913 15.121 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.837 -7.798 13.630 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -1.618 -7.476 12.387 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.788 -7.813 13.893 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -2.206 -10.003 13.995 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -2.620 -9.682 12.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.662 -11.098 12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -0.247 -9.610 11.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 0.154 -9.921 13.398 1.00 0.00 H new ATOM 1936 N LEU A 127 -4.594 -3.202 14.113 1.00 0.00 N ATOM 1937 CA LEU A 127 -4.555 -1.714 14.167 1.00 0.00 C ATOM 1938 C LEU A 127 -5.822 -1.203 14.860 1.00 0.00 C ATOM 1939 O LEU A 127 -5.905 -0.057 15.254 1.00 0.00 O ATOM 1940 CB LEU A 127 -4.485 -1.151 12.739 1.00 0.00 C ATOM 1941 CG LEU A 127 -3.146 -0.439 12.514 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -3.029 0.758 13.460 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -1.994 -1.414 12.776 1.00 0.00 C ATOM 0 H LEU A 127 -5.102 -3.592 13.319 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.677 -1.389 14.725 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.601 -1.958 12.016 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -5.307 -0.455 12.574 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.097 -0.088 11.483 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.076 1.260 13.296 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.844 1.455 13.267 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.084 0.413 14.492 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.043 -0.906 12.615 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -2.046 -1.770 13.805 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.072 -2.261 12.094 1.00 0.00 H new ATOM 1955 N GLY A 128 -6.807 -2.048 15.016 1.00 0.00 N ATOM 1956 CA GLY A 128 -8.066 -1.612 15.686 1.00 0.00 C ATOM 1957 C GLY A 128 -8.512 -0.264 15.121 1.00 0.00 C ATOM 1958 O GLY A 128 -8.187 0.781 15.651 1.00 0.00 O ATOM 0 H GLY A 128 -6.794 -3.020 14.708 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.847 -2.357 15.534 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.908 -1.532 16.761 1.00 0.00 H new ATOM 1962 N MET A 129 -9.255 -0.276 14.047 1.00 0.00 N ATOM 1963 CA MET A 129 -9.722 1.008 13.450 1.00 0.00 C ATOM 1964 C MET A 129 -11.101 1.360 14.010 1.00 0.00 C ATOM 1965 O MET A 129 -11.715 0.492 14.608 1.00 0.00 O ATOM 1966 CB MET A 129 -9.812 0.859 11.929 1.00 0.00 C ATOM 1967 CG MET A 129 -8.946 1.927 11.259 1.00 0.00 C ATOM 1968 SD MET A 129 -9.549 3.570 11.725 1.00 0.00 S ATOM 1969 CE MET A 129 -8.080 4.501 11.227 1.00 0.00 C ATOM 1970 OXT MET A 129 -11.518 2.492 13.833 1.00 0.00 O ATOM 0 H MET A 129 -9.558 -1.118 13.558 1.00 0.00 H new ATOM 0 HA MET A 129 -9.017 1.802 13.697 1.00 0.00 H new ATOM 0 HB2 MET A 129 -9.479 -0.135 11.630 1.00 0.00 H new ATOM 0 HB3 MET A 129 -10.848 0.959 11.604 1.00 0.00 H new ATOM 0 HG2 MET A 129 -7.906 1.810 11.562 1.00 0.00 H new ATOM 0 HG3 MET A 129 -8.978 1.810 10.176 1.00 0.00 H new ATOM 0 HE1 MET A 129 -8.235 5.561 11.429 1.00 0.00 H new ATOM 0 HE2 MET A 129 -7.217 4.147 11.790 1.00 0.00 H new ATOM 0 HE3 MET A 129 -7.902 4.357 10.161 1.00 0.00 H new TER 1980 MET A 129