USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 648 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 LYS NZ :NH3+ -175:sc= 0.176! (180deg=-0.682!) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0.557 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 57 MET CE :methyl 166:sc= -2.94 (180deg=-3.65!) USER MOD Set 3.1: A 43 CYS SG : rot -48:sc= -0.0797 USER MOD Set 3.2: A 48 ASN : amide:sc= 1.3 K(o=0.77,f=-0.66!) USER MOD Set 3.3: A 54 SER OG : rot -29:sc= -0.447 USER MOD Set 4.1: A 33 GLN : amide:sc= -0.685 K(o=0.36,f=-5.4!) USER MOD Set 4.2: A 76 LYS NZ :NH3+ 147:sc= 1.05 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.81) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= -0.115 (180deg=-0.552) USER MOD Single : A 30 GLN : amide:sc= -0.357 K(o=-0.36,f=-7.5!) USER MOD Single : A 32 GLN : amide:sc= -2.28 K(o=-2.3,f=-5.4!) USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 38 THR OG1 : rot -74:sc= 1.32 USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= -0.0591 (180deg=-0.346) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0274 X(o=-0.027,f=-0.054) USER MOD Single : A 49 ASN : amide:sc= -1.26 K(o=-1.3,f=-3.3!) USER MOD Single : A 50 SER OG : rot -105:sc= 1.32 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 70:sc= 1.01 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.588 F(o=-1.3!,f=-0.59) USER MOD Single : A 65 LYS NZ :NH3+ 153:sc= 2.42 (180deg=1.13) USER MOD Single : A 67 TYR OH : rot 25:sc= 1.24 USER MOD Single : A 70 MET CE :methyl 140:sc= -3.17! (180deg=-5.92!) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -123:sc= -5.12! (180deg=-7.97!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.0294 K(o=-0.029,f=-0.83) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0476 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 19 10.605 -9.409 -1.002 1.00 0.00 N ATOM 2 CA THR A 19 10.460 -9.959 -2.365 1.00 0.00 C ATOM 3 C THR A 19 9.068 -9.654 -2.921 1.00 0.00 C ATOM 4 O THR A 19 8.070 -9.785 -2.211 1.00 0.00 O ATOM 5 CB THR A 19 10.720 -11.486 -2.382 1.00 0.00 C ATOM 6 OG1 THR A 19 10.540 -12.013 -3.703 1.00 0.00 O ATOM 7 CG2 THR A 19 9.805 -12.218 -1.406 1.00 0.00 C ATOM 0 HA THR A 19 11.205 -9.480 -3.000 1.00 0.00 H new ATOM 0 HB THR A 19 11.752 -11.646 -2.070 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.710 -12.978 -3.696 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.014 -13.287 -1.443 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.981 -11.849 -0.396 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.765 -12.042 -1.680 1.00 0.00 H new ATOM 15 N ILE A 20 9.019 -9.220 -4.185 1.00 0.00 N ATOM 16 CA ILE A 20 7.758 -8.912 -4.869 1.00 0.00 C ATOM 17 C ILE A 20 8.040 -8.341 -6.264 1.00 0.00 C ATOM 18 O ILE A 20 7.392 -8.713 -7.247 1.00 0.00 O ATOM 19 CB ILE A 20 6.869 -7.933 -4.033 1.00 0.00 C ATOM 20 CG1 ILE A 20 5.470 -7.768 -4.655 1.00 0.00 C ATOM 21 CG2 ILE A 20 7.542 -6.575 -3.854 1.00 0.00 C ATOM 22 CD1 ILE A 20 5.385 -6.756 -5.782 1.00 0.00 C ATOM 0 H ILE A 20 9.848 -9.073 -4.761 1.00 0.00 H new ATOM 0 HA ILE A 20 7.198 -9.841 -4.976 1.00 0.00 H new ATOM 0 HB ILE A 20 6.748 -8.379 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.139 -8.736 -5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.772 -7.475 -3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.894 -5.922 -3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.491 -6.705 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.721 -6.126 -4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.362 -6.711 -6.154 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.680 -5.774 -5.412 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.053 -7.055 -6.590 1.00 0.00 H new ATOM 34 N ASP A 21 9.032 -7.465 -6.343 1.00 0.00 N ATOM 35 CA ASP A 21 9.380 -6.781 -7.584 1.00 0.00 C ATOM 36 C ASP A 21 10.796 -6.227 -7.433 1.00 0.00 C ATOM 37 O ASP A 21 11.595 -6.783 -6.679 1.00 0.00 O ATOM 38 CB ASP A 21 8.373 -5.645 -7.853 1.00 0.00 C ATOM 39 CG ASP A 21 8.369 -5.163 -9.297 1.00 0.00 C ATOM 40 OD1 ASP A 21 9.176 -4.273 -9.637 1.00 0.00 O ATOM 41 OD2 ASP A 21 7.569 -5.681 -10.098 1.00 0.00 O ATOM 0 H ASP A 21 9.619 -7.207 -5.550 1.00 0.00 H new ATOM 0 HA ASP A 21 9.342 -7.469 -8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.372 -5.988 -7.591 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.603 -4.804 -7.199 1.00 0.00 H new ATOM 46 N VAL A 22 11.104 -5.133 -8.113 1.00 0.00 N ATOM 47 CA VAL A 22 12.371 -4.440 -7.909 1.00 0.00 C ATOM 48 C VAL A 22 12.377 -3.801 -6.517 1.00 0.00 C ATOM 49 O VAL A 22 13.406 -3.342 -6.016 1.00 0.00 O ATOM 50 CB VAL A 22 12.597 -3.352 -8.989 1.00 0.00 C ATOM 51 CG1 VAL A 22 11.639 -2.181 -8.799 1.00 0.00 C ATOM 52 CG2 VAL A 22 14.039 -2.869 -8.977 1.00 0.00 C ATOM 0 H VAL A 22 10.496 -4.705 -8.811 1.00 0.00 H new ATOM 0 HA VAL A 22 13.181 -5.165 -7.990 1.00 0.00 H new ATOM 0 HB VAL A 22 12.393 -3.801 -9.961 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.821 -1.433 -9.571 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.611 -2.536 -8.873 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.799 -1.735 -7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.173 -2.106 -9.743 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.273 -2.447 -8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 22 14.705 -3.708 -9.179 1.00 0.00 H new ATOM 62 N LEU A 23 11.201 -3.792 -5.903 1.00 0.00 N ATOM 63 CA LEU A 23 11.002 -3.200 -4.593 1.00 0.00 C ATOM 64 C LEU A 23 11.590 -4.099 -3.511 1.00 0.00 C ATOM 65 O LEU A 23 10.882 -4.895 -2.889 1.00 0.00 O ATOM 66 CB LEU A 23 9.505 -2.992 -4.344 1.00 0.00 C ATOM 67 CG LEU A 23 8.692 -2.538 -5.564 1.00 0.00 C ATOM 68 CD1 LEU A 23 7.231 -2.348 -5.194 1.00 0.00 C ATOM 69 CD2 LEU A 23 9.270 -1.261 -6.164 1.00 0.00 C ATOM 0 H LEU A 23 10.356 -4.198 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 23 11.510 -2.236 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.082 -3.926 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.385 -2.252 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 23 8.754 -3.320 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.672 -2.026 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.823 -3.290 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.149 -1.591 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.674 -0.962 -7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.251 -0.467 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.299 -1.439 -6.477 1.00 0.00 H new ATOM 81 N GLN A 24 12.889 -3.984 -3.309 1.00 0.00 N ATOM 82 CA GLN A 24 13.571 -4.755 -2.288 1.00 0.00 C ATOM 83 C GLN A 24 13.440 -4.087 -0.928 1.00 0.00 C ATOM 84 O GLN A 24 13.853 -2.943 -0.752 1.00 0.00 O ATOM 85 CB GLN A 24 15.051 -4.915 -2.637 1.00 0.00 C ATOM 86 CG GLN A 24 15.326 -5.860 -3.796 1.00 0.00 C ATOM 87 CD GLN A 24 14.916 -7.292 -3.500 1.00 0.00 C ATOM 88 OE1 GLN A 24 14.908 -7.725 -2.344 1.00 0.00 O ATOM 89 NE2 GLN A 24 14.600 -8.043 -4.540 1.00 0.00 N ATOM 0 H GLN A 24 13.495 -3.360 -3.842 1.00 0.00 H new ATOM 0 HA GLN A 24 13.104 -5.739 -2.245 1.00 0.00 H new ATOM 0 HB2 GLN A 24 15.463 -3.935 -2.878 1.00 0.00 H new ATOM 0 HB3 GLN A 24 15.582 -5.276 -1.756 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.792 -5.509 -4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 24 16.389 -5.834 -4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 24 14.619 -7.647 -5.480 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.337 -9.019 -4.403 1.00 0.00 H new ATOM 98 N PHE A 25 12.854 -4.802 0.022 1.00 0.00 N ATOM 99 CA PHE A 25 12.765 -4.318 1.392 1.00 0.00 C ATOM 100 C PHE A 25 14.156 -4.238 1.981 1.00 0.00 C ATOM 101 O PHE A 25 14.940 -5.185 1.899 1.00 0.00 O ATOM 102 CB PHE A 25 11.874 -5.240 2.239 1.00 0.00 C ATOM 103 CG PHE A 25 10.501 -5.435 1.659 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.618 -4.373 1.559 1.00 0.00 C ATOM 105 CD2 PHE A 25 10.091 -6.685 1.226 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.351 -4.554 1.039 1.00 0.00 C ATOM 107 CE2 PHE A 25 8.827 -6.872 0.704 1.00 0.00 C ATOM 108 CZ PHE A 25 7.971 -5.782 0.565 1.00 0.00 C ATOM 0 H PHE A 25 12.433 -5.719 -0.131 1.00 0.00 H new ATOM 0 HA PHE A 25 12.313 -3.326 1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.360 -6.211 2.340 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.782 -4.824 3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.923 -3.392 1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.768 -7.523 1.298 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.659 -3.726 1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.503 -7.858 0.405 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.011 -5.904 0.085 1.00 0.00 H new ATOM 118 N LYS A 26 14.456 -3.076 2.535 1.00 0.00 N ATOM 119 CA LYS A 26 15.734 -2.802 3.161 1.00 0.00 C ATOM 120 C LYS A 26 16.067 -3.863 4.203 1.00 0.00 C ATOM 121 O LYS A 26 17.230 -4.188 4.429 1.00 0.00 O ATOM 122 CB LYS A 26 15.666 -1.409 3.784 1.00 0.00 C ATOM 123 CG LYS A 26 16.392 -1.273 5.102 1.00 0.00 C ATOM 124 CD LYS A 26 15.445 -0.773 6.174 1.00 0.00 C ATOM 125 CE LYS A 26 15.025 0.665 5.934 1.00 0.00 C ATOM 126 NZ LYS A 26 16.195 1.565 5.755 1.00 0.00 N ATOM 0 H LYS A 26 13.809 -2.288 2.562 1.00 0.00 H new ATOM 0 HA LYS A 26 16.531 -2.832 2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.082 -0.689 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.620 -1.142 3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.810 -2.236 5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.228 -0.582 4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.560 -1.409 6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.926 -0.853 7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.391 0.714 5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.426 1.013 6.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.896 2.553 5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.924 1.331 6.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.585 1.441 4.799 1.00 0.00 H new ATOM 140 N ASP A 27 15.025 -4.393 4.819 1.00 0.00 N ATOM 141 CA ASP A 27 15.140 -5.472 5.780 1.00 0.00 C ATOM 142 C ASP A 27 13.734 -5.939 6.121 1.00 0.00 C ATOM 143 O ASP A 27 12.783 -5.559 5.433 1.00 0.00 O ATOM 144 CB ASP A 27 15.881 -5.018 7.047 1.00 0.00 C ATOM 145 CG ASP A 27 15.007 -4.224 7.994 1.00 0.00 C ATOM 146 OD1 ASP A 27 14.596 -3.110 7.620 1.00 0.00 O ATOM 147 OD2 ASP A 27 14.752 -4.690 9.119 1.00 0.00 O ATOM 0 H ASP A 27 14.066 -4.082 4.663 1.00 0.00 H new ATOM 0 HA ASP A 27 15.721 -6.288 5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.268 -5.894 7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 27 16.740 -4.412 6.760 1.00 0.00 H new ATOM 152 N GLU A 28 13.588 -6.726 7.175 1.00 0.00 N ATOM 153 CA GLU A 28 12.289 -7.186 7.592 1.00 0.00 C ATOM 154 C GLU A 28 11.413 -5.999 7.994 1.00 0.00 C ATOM 155 O GLU A 28 10.218 -5.995 7.728 1.00 0.00 O ATOM 156 CB GLU A 28 12.452 -8.168 8.750 1.00 0.00 C ATOM 157 CG GLU A 28 11.214 -8.300 9.600 1.00 0.00 C ATOM 158 CD GLU A 28 11.417 -9.190 10.805 1.00 0.00 C ATOM 159 OE1 GLU A 28 11.844 -8.684 11.861 1.00 0.00 O ATOM 160 OE2 GLU A 28 11.147 -10.403 10.706 1.00 0.00 O ATOM 0 H GLU A 28 14.360 -7.056 7.754 1.00 0.00 H new ATOM 0 HA GLU A 28 11.796 -7.698 6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.717 -9.148 8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.282 -7.844 9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.902 -7.310 9.934 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.403 -8.701 8.992 1.00 0.00 H new ATOM 167 N ALA A 29 12.026 -4.977 8.588 1.00 0.00 N ATOM 168 CA ALA A 29 11.296 -3.794 9.047 1.00 0.00 C ATOM 169 C ALA A 29 10.560 -3.123 7.903 1.00 0.00 C ATOM 170 O ALA A 29 9.399 -2.737 8.042 1.00 0.00 O ATOM 171 CB ALA A 29 12.232 -2.785 9.684 1.00 0.00 C ATOM 0 H ALA A 29 13.030 -4.943 8.764 1.00 0.00 H new ATOM 0 HA ALA A 29 10.574 -4.137 9.788 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.661 -1.917 10.015 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.729 -3.240 10.540 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.979 -2.471 8.955 1.00 0.00 H new ATOM 177 N GLN A 30 11.245 -2.976 6.773 1.00 0.00 N ATOM 178 CA GLN A 30 10.634 -2.374 5.600 1.00 0.00 C ATOM 179 C GLN A 30 9.444 -3.211 5.169 1.00 0.00 C ATOM 180 O GLN A 30 8.413 -2.691 4.746 1.00 0.00 O ATOM 181 CB GLN A 30 11.628 -2.254 4.442 1.00 0.00 C ATOM 182 CG GLN A 30 11.165 -1.265 3.394 1.00 0.00 C ATOM 183 CD GLN A 30 12.300 -0.496 2.762 1.00 0.00 C ATOM 184 OE1 GLN A 30 12.904 -0.943 1.793 1.00 0.00 O ATOM 185 NE2 GLN A 30 12.580 0.678 3.299 1.00 0.00 N ATOM 0 H GLN A 30 12.216 -3.264 6.648 1.00 0.00 H new ATOM 0 HA GLN A 30 10.310 -1.367 5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.599 -1.944 4.829 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.766 -3.232 3.981 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.618 -1.798 2.616 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.467 -0.562 3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.050 1.009 4.105 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.326 1.253 2.907 1.00 0.00 H new ATOM 194 N GLU A 31 9.593 -4.516 5.317 1.00 0.00 N ATOM 195 CA GLU A 31 8.534 -5.446 4.979 1.00 0.00 C ATOM 196 C GLU A 31 7.385 -5.337 5.989 1.00 0.00 C ATOM 197 O GLU A 31 6.214 -5.417 5.617 1.00 0.00 O ATOM 198 CB GLU A 31 9.092 -6.870 4.930 1.00 0.00 C ATOM 199 CG GLU A 31 8.032 -7.929 4.665 1.00 0.00 C ATOM 200 CD GLU A 31 8.581 -9.337 4.707 1.00 0.00 C ATOM 201 OE1 GLU A 31 8.757 -9.880 5.816 1.00 0.00 O ATOM 202 OE2 GLU A 31 8.869 -9.897 3.627 1.00 0.00 O ATOM 0 H GLU A 31 10.443 -4.956 5.671 1.00 0.00 H new ATOM 0 HA GLU A 31 8.138 -5.197 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.853 -6.927 4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.586 -7.091 5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.237 -7.833 5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.583 -7.749 3.688 1.00 0.00 H new ATOM 209 N GLN A 32 7.723 -5.129 7.260 1.00 0.00 N ATOM 210 CA GLN A 32 6.725 -4.933 8.307 1.00 0.00 C ATOM 211 C GLN A 32 5.902 -3.685 8.008 1.00 0.00 C ATOM 212 O GLN A 32 4.676 -3.690 8.099 1.00 0.00 O ATOM 213 CB GLN A 32 7.413 -4.746 9.658 1.00 0.00 C ATOM 214 CG GLN A 32 8.403 -5.835 10.029 1.00 0.00 C ATOM 215 CD GLN A 32 9.038 -5.607 11.388 1.00 0.00 C ATOM 216 OE1 GLN A 32 10.191 -5.969 11.615 1.00 0.00 O ATOM 217 NE2 GLN A 32 8.296 -5.007 12.305 1.00 0.00 N ATOM 0 H GLN A 32 8.687 -5.092 7.590 1.00 0.00 H new ATOM 0 HA GLN A 32 6.079 -5.810 8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.934 -3.788 9.654 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.649 -4.691 10.433 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.895 -6.799 10.027 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.184 -5.885 9.271 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.343 -4.720 12.082 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.677 -4.832 13.235 1.00 0.00 H new ATOM 226 N GLN A 33 6.604 -2.612 7.662 1.00 0.00 N ATOM 227 CA GLN A 33 5.966 -1.363 7.279 1.00 0.00 C ATOM 228 C GLN A 33 5.051 -1.588 6.083 1.00 0.00 C ATOM 229 O GLN A 33 3.929 -1.083 6.039 1.00 0.00 O ATOM 230 CB GLN A 33 7.025 -0.315 6.942 1.00 0.00 C ATOM 231 CG GLN A 33 6.457 1.017 6.493 1.00 0.00 C ATOM 232 CD GLN A 33 7.537 2.031 6.167 1.00 0.00 C ATOM 233 OE1 GLN A 33 7.332 3.234 6.300 1.00 0.00 O ATOM 234 NE2 GLN A 33 8.693 1.549 5.736 1.00 0.00 N ATOM 0 H GLN A 33 7.623 -2.585 7.640 1.00 0.00 H new ATOM 0 HA GLN A 33 5.368 -1.002 8.115 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.652 -0.153 7.818 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.671 -0.706 6.156 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.831 0.863 5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.813 1.416 7.277 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.822 0.542 5.640 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.455 2.185 5.500 1.00 0.00 H new ATOM 243 N PHE A 34 5.542 -2.374 5.131 1.00 0.00 N ATOM 244 CA PHE A 34 4.782 -2.718 3.942 1.00 0.00 C ATOM 245 C PHE A 34 3.479 -3.404 4.326 1.00 0.00 C ATOM 246 O PHE A 34 2.426 -3.088 3.773 1.00 0.00 O ATOM 247 CB PHE A 34 5.619 -3.631 3.039 1.00 0.00 C ATOM 248 CG PHE A 34 4.903 -4.112 1.807 1.00 0.00 C ATOM 249 CD1 PHE A 34 4.816 -3.310 0.683 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.327 -5.373 1.775 1.00 0.00 C ATOM 251 CE1 PHE A 34 4.170 -3.756 -0.453 1.00 0.00 C ATOM 252 CE2 PHE A 34 3.678 -5.823 0.644 1.00 0.00 C ATOM 253 CZ PHE A 34 3.599 -5.015 -0.472 1.00 0.00 C ATOM 0 H PHE A 34 6.474 -2.787 5.164 1.00 0.00 H new ATOM 0 HA PHE A 34 4.542 -1.804 3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.519 -3.096 2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.942 -4.496 3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.258 -2.325 0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.387 -6.010 2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.111 -3.122 -1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.232 -6.807 0.632 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.092 -5.366 -1.359 1.00 0.00 H new ATOM 263 N ARG A 35 3.564 -4.325 5.286 1.00 0.00 N ATOM 264 CA ARG A 35 2.391 -5.041 5.794 1.00 0.00 C ATOM 265 C ARG A 35 1.271 -4.072 6.159 1.00 0.00 C ATOM 266 O ARG A 35 0.148 -4.195 5.683 1.00 0.00 O ATOM 267 CB ARG A 35 2.772 -5.834 7.050 1.00 0.00 C ATOM 268 CG ARG A 35 3.098 -7.307 6.841 1.00 0.00 C ATOM 269 CD ARG A 35 4.036 -7.543 5.675 1.00 0.00 C ATOM 270 NE ARG A 35 3.352 -8.163 4.536 1.00 0.00 N ATOM 271 CZ ARG A 35 3.802 -9.246 3.895 1.00 0.00 C ATOM 272 NH1 ARG A 35 4.931 -9.833 4.285 1.00 0.00 N ATOM 273 NH2 ARG A 35 3.105 -9.759 2.888 1.00 0.00 N ATOM 0 H ARG A 35 4.441 -4.595 5.732 1.00 0.00 H new ATOM 0 HA ARG A 35 2.043 -5.711 5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.636 -5.354 7.510 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.951 -5.763 7.763 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.548 -7.707 7.750 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.173 -7.859 6.674 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.472 -6.594 5.363 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.859 -8.182 5.995 1.00 0.00 H new ATOM 0 HE ARG A 35 2.480 -7.743 4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.455 -9.456 5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.272 -10.659 3.794 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.226 -9.327 2.604 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.449 -10.586 2.399 1.00 0.00 H new ATOM 287 N GLN A 36 1.608 -3.081 6.973 1.00 0.00 N ATOM 288 CA GLN A 36 0.622 -2.138 7.487 1.00 0.00 C ATOM 289 C GLN A 36 0.166 -1.165 6.413 1.00 0.00 C ATOM 290 O GLN A 36 -1.026 -0.887 6.280 1.00 0.00 O ATOM 291 CB GLN A 36 1.194 -1.372 8.681 1.00 0.00 C ATOM 292 CG GLN A 36 1.749 -2.281 9.768 1.00 0.00 C ATOM 293 CD GLN A 36 2.349 -1.513 10.930 1.00 0.00 C ATOM 294 OE1 GLN A 36 2.877 -0.329 10.652 1.00 0.00 O flip ATOM 295 NE2 GLN A 36 2.345 -1.986 12.068 1.00 0.00 N flip ATOM 0 H GLN A 36 2.561 -2.908 7.293 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.247 -2.711 7.810 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.985 -0.708 8.333 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.414 -0.742 9.107 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.951 -2.925 10.138 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.510 -2.931 9.337 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.928 -2.901 12.238 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.759 -1.462 12.839 1.00 0.00 H new ATOM 304 N LEU A 37 1.119 -0.665 5.638 1.00 0.00 N ATOM 305 CA LEU A 37 0.831 0.362 4.650 1.00 0.00 C ATOM 306 C LEU A 37 -0.086 -0.168 3.553 1.00 0.00 C ATOM 307 O LEU A 37 -0.805 0.597 2.919 1.00 0.00 O ATOM 308 CB LEU A 37 2.123 0.904 4.040 1.00 0.00 C ATOM 309 CG LEU A 37 3.064 1.622 5.010 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.250 2.204 4.259 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.329 2.706 5.779 1.00 0.00 C ATOM 0 H LEU A 37 2.096 -0.954 5.675 1.00 0.00 H new ATOM 0 HA LEU A 37 0.316 1.176 5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.664 0.075 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.863 1.594 3.237 1.00 0.00 H new ATOM 0 HG LEU A 37 3.434 0.894 5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.911 2.712 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.795 1.402 3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.895 2.917 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.020 3.201 6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.924 3.437 5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.514 2.259 6.349 1.00 0.00 H new ATOM 323 N THR A 38 -0.071 -1.476 3.336 1.00 0.00 N ATOM 324 CA THR A 38 -0.943 -2.067 2.336 1.00 0.00 C ATOM 325 C THR A 38 -2.236 -2.593 2.957 1.00 0.00 C ATOM 326 O THR A 38 -3.190 -2.891 2.238 1.00 0.00 O ATOM 327 CB THR A 38 -0.257 -3.197 1.552 1.00 0.00 C ATOM 328 OG1 THR A 38 0.442 -4.077 2.437 1.00 0.00 O ATOM 329 CG2 THR A 38 0.695 -2.633 0.512 1.00 0.00 C ATOM 0 H THR A 38 0.526 -2.138 3.832 1.00 0.00 H new ATOM 0 HA THR A 38 -1.182 -1.264 1.638 1.00 0.00 H new ATOM 0 HB THR A 38 -1.032 -3.766 1.038 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.258 -3.639 2.757 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.168 -3.452 -0.030 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.141 -2.007 -0.188 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.460 -2.034 1.006 1.00 0.00 H new ATOM 337 N GLU A 39 -2.269 -2.716 4.287 1.00 0.00 N ATOM 338 CA GLU A 39 -3.471 -3.187 4.967 1.00 0.00 C ATOM 339 C GLU A 39 -4.427 -2.042 5.279 1.00 0.00 C ATOM 340 O GLU A 39 -5.628 -2.146 5.025 1.00 0.00 O ATOM 341 CB GLU A 39 -3.129 -3.935 6.254 1.00 0.00 C ATOM 342 CG GLU A 39 -2.722 -5.384 6.037 1.00 0.00 C ATOM 343 CD GLU A 39 -2.596 -6.143 7.341 1.00 0.00 C ATOM 344 OE1 GLU A 39 -3.635 -6.557 7.899 1.00 0.00 O ATOM 345 OE2 GLU A 39 -1.460 -6.324 7.827 1.00 0.00 O ATOM 0 H GLU A 39 -1.487 -2.498 4.904 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.966 -3.875 4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.318 -3.413 6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.992 -3.906 6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.459 -5.876 5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.771 -5.417 5.506 1.00 0.00 H new ATOM 352 N GLU A 40 -3.903 -0.953 5.826 1.00 0.00 N ATOM 353 CA GLU A 40 -4.745 0.180 6.191 1.00 0.00 C ATOM 354 C GLU A 40 -5.183 0.938 4.940 1.00 0.00 C ATOM 355 O GLU A 40 -6.180 1.665 4.949 1.00 0.00 O ATOM 356 CB GLU A 40 -4.019 1.099 7.170 1.00 0.00 C ATOM 357 CG GLU A 40 -4.918 2.177 7.740 1.00 0.00 C ATOM 358 CD GLU A 40 -4.314 2.879 8.933 1.00 0.00 C ATOM 359 OE1 GLU A 40 -3.445 3.752 8.732 1.00 0.00 O ATOM 360 OE2 GLU A 40 -4.684 2.558 10.079 1.00 0.00 O ATOM 0 H GLU A 40 -2.910 -0.830 6.025 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.638 -0.195 6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.611 0.503 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.174 1.567 6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.133 2.911 6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.870 1.733 8.030 1.00 0.00 H new ATOM 367 N LEU A 41 -4.443 0.754 3.858 1.00 0.00 N ATOM 368 CA LEU A 41 -4.847 1.296 2.577 1.00 0.00 C ATOM 369 C LEU A 41 -5.955 0.436 1.989 1.00 0.00 C ATOM 370 O LEU A 41 -5.742 -0.728 1.638 1.00 0.00 O ATOM 371 CB LEU A 41 -3.659 1.390 1.616 1.00 0.00 C ATOM 372 CG LEU A 41 -4.017 1.732 0.169 1.00 0.00 C ATOM 373 CD1 LEU A 41 -4.982 2.903 0.109 1.00 0.00 C ATOM 374 CD2 LEU A 41 -2.759 2.038 -0.616 1.00 0.00 C ATOM 0 H LEU A 41 -3.565 0.236 3.844 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.223 2.308 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.968 2.145 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.127 0.438 1.627 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.511 0.869 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.220 3.125 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.897 2.648 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.523 3.777 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.022 2.281 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.245 2.886 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.103 1.168 -0.605 1.00 0.00 H new ATOM 386 N ARG A 42 -7.136 1.021 1.889 1.00 0.00 N ATOM 387 CA ARG A 42 -8.299 0.309 1.414 1.00 0.00 C ATOM 388 C ARG A 42 -8.396 0.398 -0.098 1.00 0.00 C ATOM 389 O ARG A 42 -8.053 1.419 -0.695 1.00 0.00 O ATOM 390 CB ARG A 42 -9.588 0.888 2.013 1.00 0.00 C ATOM 391 CG ARG A 42 -10.756 -0.083 1.959 1.00 0.00 C ATOM 392 CD ARG A 42 -12.099 0.627 1.996 1.00 0.00 C ATOM 393 NE ARG A 42 -13.211 -0.310 1.803 1.00 0.00 N ATOM 394 CZ ARG A 42 -14.471 -0.069 2.173 1.00 0.00 C ATOM 395 NH1 ARG A 42 -14.789 1.059 2.795 1.00 0.00 N ATOM 396 NH2 ARG A 42 -15.419 -0.967 1.930 1.00 0.00 N ATOM 0 H ARG A 42 -7.310 1.996 2.134 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.189 -0.730 1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.405 1.171 3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.854 1.799 1.476 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.688 -0.679 1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.690 -0.774 2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.215 1.138 2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.128 1.392 1.220 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.008 -1.205 1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.068 1.752 2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.755 1.233 3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.185 -1.842 1.460 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.381 -0.782 2.213 1.00 0.00 H new ATOM 410 N CYS A 43 -8.854 -0.675 -0.709 1.00 0.00 N ATOM 411 CA CYS A 43 -9.244 -0.640 -2.101 1.00 0.00 C ATOM 412 C CYS A 43 -10.767 -0.633 -2.166 1.00 0.00 C ATOM 413 O CYS A 43 -11.426 -1.109 -1.234 1.00 0.00 O ATOM 414 CB CYS A 43 -8.668 -1.842 -2.853 1.00 0.00 C ATOM 415 SG CYS A 43 -9.207 -3.445 -2.218 1.00 0.00 S ATOM 0 H CYS A 43 -8.965 -1.584 -0.261 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.851 0.257 -2.579 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.949 -1.767 -3.903 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.580 -1.795 -2.810 1.00 0.00 H new ATOM 0 HG CYS A 43 -9.075 -3.466 -0.925 1.00 0.00 H new ATOM 421 N PRO A 44 -11.356 -0.067 -3.233 1.00 0.00 N ATOM 422 CA PRO A 44 -12.815 0.005 -3.398 1.00 0.00 C ATOM 423 C PRO A 44 -13.446 -1.365 -3.675 1.00 0.00 C ATOM 424 O PRO A 44 -14.178 -1.541 -4.654 1.00 0.00 O ATOM 425 CB PRO A 44 -13.003 0.938 -4.606 1.00 0.00 C ATOM 426 CG PRO A 44 -11.671 1.567 -4.838 1.00 0.00 C ATOM 427 CD PRO A 44 -10.658 0.575 -4.353 1.00 0.00 C ATOM 0 HA PRO A 44 -13.302 0.362 -2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.332 0.381 -5.484 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.763 1.693 -4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.524 1.791 -5.895 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.585 2.509 -4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.388 -0.142 -5.128 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.736 1.060 -4.033 1.00 0.00 H new ATOM 435 N LYS A 45 -13.155 -2.323 -2.804 1.00 0.00 N ATOM 436 CA LYS A 45 -13.672 -3.676 -2.920 1.00 0.00 C ATOM 437 C LYS A 45 -13.640 -4.372 -1.560 1.00 0.00 C ATOM 438 O LYS A 45 -12.571 -4.594 -0.986 1.00 0.00 O ATOM 439 CB LYS A 45 -12.850 -4.475 -3.931 1.00 0.00 C ATOM 440 CG LYS A 45 -13.410 -5.857 -4.212 1.00 0.00 C ATOM 441 CD LYS A 45 -14.750 -5.792 -4.929 1.00 0.00 C ATOM 442 CE LYS A 45 -15.246 -7.181 -5.296 1.00 0.00 C ATOM 443 NZ LYS A 45 -14.335 -7.863 -6.250 1.00 0.00 N ATOM 0 H LYS A 45 -12.551 -2.180 -1.995 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.704 -3.623 -3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.797 -3.917 -4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.830 -4.574 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.701 -6.419 -4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.527 -6.399 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.483 -5.298 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.654 -5.187 -5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.341 -7.783 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.241 -7.106 -5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.826 -8.672 -6.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.049 -7.195 -6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.491 -8.200 -5.744 1.00 0.00 H new ATOM 457 N CYS A 46 -14.817 -4.709 -1.052 1.00 0.00 N ATOM 458 CA CYS A 46 -14.946 -5.394 0.227 1.00 0.00 C ATOM 459 C CYS A 46 -14.392 -6.806 0.137 1.00 0.00 C ATOM 460 O CYS A 46 -13.829 -7.336 1.093 1.00 0.00 O ATOM 461 CB CYS A 46 -16.412 -5.431 0.639 1.00 0.00 C ATOM 462 SG CYS A 46 -17.158 -3.788 0.807 1.00 0.00 S ATOM 0 H CYS A 46 -15.706 -4.516 -1.513 1.00 0.00 H new ATOM 0 HA CYS A 46 -14.373 -4.850 0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -16.974 -6.003 -0.099 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -16.501 -5.960 1.588 1.00 0.00 H new ATOM 0 HG CYS A 46 -18.404 -3.911 1.157 1.00 0.00 H new ATOM 468 N GLN A 47 -14.530 -7.392 -1.038 1.00 0.00 N ATOM 469 CA GLN A 47 -14.069 -8.749 -1.284 1.00 0.00 C ATOM 470 C GLN A 47 -12.603 -8.749 -1.712 1.00 0.00 C ATOM 471 O GLN A 47 -12.219 -9.400 -2.684 1.00 0.00 O ATOM 472 CB GLN A 47 -14.945 -9.395 -2.351 1.00 0.00 C ATOM 473 CG GLN A 47 -16.415 -9.427 -1.969 1.00 0.00 C ATOM 474 CD GLN A 47 -16.695 -10.310 -0.768 1.00 0.00 C ATOM 475 OE1 GLN A 47 -16.654 -9.856 0.374 1.00 0.00 O ATOM 476 NE2 GLN A 47 -16.982 -11.579 -1.015 1.00 0.00 N ATOM 0 H GLN A 47 -14.962 -6.945 -1.846 1.00 0.00 H new ATOM 0 HA GLN A 47 -14.146 -9.327 -0.363 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -14.830 -8.849 -3.288 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -14.599 -10.413 -2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.751 -8.413 -1.754 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.998 -9.783 -2.819 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -17.006 -11.919 -1.977 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.179 -12.217 -0.244 1.00 0.00 H new ATOM 485 N ASN A 48 -11.800 -7.999 -0.971 1.00 0.00 N ATOM 486 CA ASN A 48 -10.370 -7.888 -1.227 1.00 0.00 C ATOM 487 C ASN A 48 -9.702 -7.230 -0.030 1.00 0.00 C ATOM 488 O ASN A 48 -8.613 -7.624 0.385 1.00 0.00 O ATOM 489 CB ASN A 48 -10.094 -7.072 -2.496 1.00 0.00 C ATOM 490 CG ASN A 48 -8.634 -7.104 -2.907 1.00 0.00 C ATOM 491 OD1 ASN A 48 -8.214 -7.966 -3.681 1.00 0.00 O ATOM 492 ND2 ASN A 48 -7.848 -6.168 -2.399 1.00 0.00 N ATOM 0 H ASN A 48 -12.121 -7.449 -0.174 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.963 -8.887 -1.379 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.705 -7.458 -3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.398 -6.038 -2.332 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.859 -6.144 -2.645 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.232 -5.471 -1.761 1.00 0.00 H new ATOM 499 N ASN A 49 -10.395 -6.228 0.518 1.00 0.00 N ATOM 500 CA ASN A 49 -9.981 -5.533 1.744 1.00 0.00 C ATOM 501 C ASN A 49 -8.786 -4.623 1.500 1.00 0.00 C ATOM 502 O ASN A 49 -8.932 -3.402 1.396 1.00 0.00 O ATOM 503 CB ASN A 49 -9.650 -6.516 2.880 1.00 0.00 C ATOM 504 CG ASN A 49 -10.839 -7.339 3.335 1.00 0.00 C ATOM 505 OD1 ASN A 49 -11.603 -6.923 4.204 1.00 0.00 O ATOM 506 ND2 ASN A 49 -10.987 -8.529 2.772 1.00 0.00 N ATOM 0 H ASN A 49 -11.265 -5.872 0.122 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.832 -4.924 2.048 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.859 -7.188 2.549 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.258 -5.957 3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.756 -9.136 3.056 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.332 -8.839 2.054 1.00 0.00 H new ATOM 513 N SER A 50 -7.615 -5.226 1.380 1.00 0.00 N ATOM 514 CA SER A 50 -6.370 -4.484 1.311 1.00 0.00 C ATOM 515 C SER A 50 -5.534 -4.943 0.121 1.00 0.00 C ATOM 516 O SER A 50 -5.642 -6.088 -0.321 1.00 0.00 O ATOM 517 CB SER A 50 -5.597 -4.695 2.611 1.00 0.00 C ATOM 518 OG SER A 50 -6.406 -4.398 3.735 1.00 0.00 O ATOM 0 H SER A 50 -7.502 -6.238 1.328 1.00 0.00 H new ATOM 0 HA SER A 50 -6.589 -3.424 1.179 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.251 -5.727 2.670 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.710 -4.061 2.618 1.00 0.00 H new ATOM 0 HG SER A 50 -6.133 -3.538 4.117 1.00 0.00 H new ATOM 524 N ILE A 51 -4.692 -4.046 -0.385 1.00 0.00 N ATOM 525 CA ILE A 51 -3.865 -4.325 -1.560 1.00 0.00 C ATOM 526 C ILE A 51 -2.631 -5.147 -1.194 1.00 0.00 C ATOM 527 O ILE A 51 -1.807 -5.453 -2.058 1.00 0.00 O ATOM 528 CB ILE A 51 -3.393 -3.025 -2.238 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.506 -2.222 -1.282 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.589 -2.198 -2.690 1.00 0.00 C ATOM 531 CD1 ILE A 51 -1.856 -1.018 -1.923 1.00 0.00 C ATOM 0 H ILE A 51 -4.563 -3.112 0.003 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.492 -4.892 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.805 -3.281 -3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.107 -1.891 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.729 -2.876 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.239 -1.283 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.182 -2.774 -3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.204 -1.945 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.244 -0.499 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.228 -1.342 -2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.627 -0.343 -2.294 1.00 0.00 H new ATOM 543 N ALA A 52 -2.509 -5.483 0.091 1.00 0.00 N ATOM 544 CA ALA A 52 -1.367 -6.235 0.605 1.00 0.00 C ATOM 545 C ALA A 52 -1.110 -7.490 -0.215 1.00 0.00 C ATOM 546 O ALA A 52 -0.009 -7.697 -0.723 1.00 0.00 O ATOM 547 CB ALA A 52 -1.595 -6.586 2.063 1.00 0.00 C ATOM 0 H ALA A 52 -3.199 -5.241 0.803 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.481 -5.606 0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.740 -7.147 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.714 -5.671 2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.496 -7.193 2.155 1.00 0.00 H new ATOM 553 N ASP A 53 -2.130 -8.323 -0.344 1.00 0.00 N ATOM 554 CA ASP A 53 -2.046 -9.500 -1.192 1.00 0.00 C ATOM 555 C ASP A 53 -3.310 -9.618 -2.028 1.00 0.00 C ATOM 556 O ASP A 53 -4.257 -10.308 -1.658 1.00 0.00 O ATOM 557 CB ASP A 53 -1.829 -10.773 -0.370 1.00 0.00 C ATOM 558 CG ASP A 53 -1.585 -11.979 -1.256 1.00 0.00 C ATOM 559 OD1 ASP A 53 -0.479 -12.099 -1.822 1.00 0.00 O ATOM 560 OD2 ASP A 53 -2.498 -12.822 -1.379 1.00 0.00 O ATOM 0 H ASP A 53 -3.026 -8.205 0.128 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.184 -9.386 -1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.979 -10.634 0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.701 -10.954 0.258 1.00 0.00 H new ATOM 565 N SER A 54 -3.333 -8.897 -3.134 1.00 0.00 N ATOM 566 CA SER A 54 -4.476 -8.917 -4.032 1.00 0.00 C ATOM 567 C SER A 54 -4.105 -9.543 -5.372 1.00 0.00 C ATOM 568 O SER A 54 -4.981 -9.939 -6.138 1.00 0.00 O ATOM 569 CB SER A 54 -4.989 -7.494 -4.253 1.00 0.00 C ATOM 570 OG SER A 54 -5.169 -6.822 -3.020 1.00 0.00 O ATOM 0 H SER A 54 -2.571 -8.288 -3.434 1.00 0.00 H new ATOM 0 HA SER A 54 -5.260 -9.520 -3.574 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.283 -6.941 -4.873 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.934 -7.524 -4.796 1.00 0.00 H new ATOM 0 HG SER A 54 -5.383 -7.474 -2.320 1.00 0.00 H new ATOM 576 N ASN A 55 -2.796 -9.611 -5.644 1.00 0.00 N ATOM 577 CA ASN A 55 -2.266 -10.114 -6.922 1.00 0.00 C ATOM 578 C ASN A 55 -2.642 -9.211 -8.098 1.00 0.00 C ATOM 579 O ASN A 55 -2.189 -9.427 -9.223 1.00 0.00 O ATOM 580 CB ASN A 55 -2.724 -11.554 -7.196 1.00 0.00 C ATOM 581 CG ASN A 55 -1.797 -12.586 -6.577 1.00 0.00 C ATOM 582 OD1 ASN A 55 -0.831 -13.016 -7.205 1.00 0.00 O ATOM 583 ND2 ASN A 55 -2.086 -13.000 -5.352 1.00 0.00 N ATOM 0 H ASN A 55 -2.073 -9.320 -4.986 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.180 -10.107 -6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.731 -11.693 -6.803 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.777 -11.717 -8.273 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.498 -13.699 -4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.896 -12.620 -4.863 1.00 0.00 H new ATOM 590 N SER A 56 -3.443 -8.190 -7.827 1.00 0.00 N ATOM 591 CA SER A 56 -3.890 -7.269 -8.856 1.00 0.00 C ATOM 592 C SER A 56 -2.738 -6.378 -9.314 1.00 0.00 C ATOM 593 O SER A 56 -1.956 -5.875 -8.501 1.00 0.00 O ATOM 594 CB SER A 56 -5.048 -6.419 -8.330 1.00 0.00 C ATOM 595 OG SER A 56 -5.524 -5.519 -9.317 1.00 0.00 O ATOM 0 H SER A 56 -3.798 -7.980 -6.894 1.00 0.00 H new ATOM 0 HA SER A 56 -4.238 -7.844 -9.714 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.861 -7.070 -8.008 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.721 -5.859 -7.454 1.00 0.00 H new ATOM 0 HG SER A 56 -6.264 -4.992 -8.950 1.00 0.00 H new ATOM 601 N MET A 57 -2.651 -6.206 -10.628 1.00 0.00 N ATOM 602 CA MET A 57 -1.622 -5.383 -11.262 1.00 0.00 C ATOM 603 C MET A 57 -1.624 -3.983 -10.680 1.00 0.00 C ATOM 604 O MET A 57 -0.578 -3.407 -10.384 1.00 0.00 O ATOM 605 CB MET A 57 -1.877 -5.277 -12.768 1.00 0.00 C ATOM 606 CG MET A 57 -2.556 -6.488 -13.373 1.00 0.00 C ATOM 607 SD MET A 57 -4.178 -6.098 -14.059 1.00 0.00 S ATOM 608 CE MET A 57 -5.107 -5.759 -12.566 1.00 0.00 C ATOM 0 H MET A 57 -3.296 -6.636 -11.290 1.00 0.00 H new ATOM 0 HA MET A 57 -0.658 -5.858 -11.078 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.492 -4.397 -12.959 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.925 -5.118 -13.275 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.923 -6.902 -14.158 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.663 -7.259 -12.610 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.045 -5.267 -12.825 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.319 -6.695 -12.049 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.524 -5.108 -11.915 1.00 0.00 H new ATOM 618 N ILE A 58 -2.818 -3.445 -10.512 1.00 0.00 N ATOM 619 CA ILE A 58 -2.984 -2.083 -10.047 1.00 0.00 C ATOM 620 C ILE A 58 -2.721 -2.011 -8.539 1.00 0.00 C ATOM 621 O ILE A 58 -2.259 -0.992 -8.031 1.00 0.00 O ATOM 622 CB ILE A 58 -4.387 -1.522 -10.433 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.329 -1.413 -9.234 1.00 0.00 C ATOM 624 CG2 ILE A 58 -5.019 -2.382 -11.517 1.00 0.00 C ATOM 625 CD1 ILE A 58 -5.180 -0.112 -8.477 1.00 0.00 C ATOM 0 H ILE A 58 -3.693 -3.937 -10.693 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.252 -1.446 -10.543 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.231 -0.512 -10.811 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.359 -1.510 -9.579 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.141 -2.245 -8.555 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.998 -1.979 -11.777 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.380 -2.382 -12.400 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.132 -3.403 -11.152 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.876 -0.097 -7.638 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.160 -0.023 -8.104 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.397 0.723 -9.143 1.00 0.00 H new ATOM 637 N ALA A 59 -2.996 -3.103 -7.824 1.00 0.00 N ATOM 638 CA ALA A 59 -2.637 -3.189 -6.410 1.00 0.00 C ATOM 639 C ALA A 59 -1.127 -3.057 -6.266 1.00 0.00 C ATOM 640 O ALA A 59 -0.626 -2.414 -5.345 1.00 0.00 O ATOM 641 CB ALA A 59 -3.119 -4.500 -5.800 1.00 0.00 C ATOM 0 H ALA A 59 -3.461 -3.931 -8.197 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.126 -2.376 -5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.838 -4.537 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.203 -4.566 -5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.661 -5.337 -6.327 1.00 0.00 H new ATOM 647 N THR A 60 -0.410 -3.667 -7.199 1.00 0.00 N ATOM 648 CA THR A 60 1.034 -3.546 -7.266 1.00 0.00 C ATOM 649 C THR A 60 1.442 -2.103 -7.565 1.00 0.00 C ATOM 650 O THR A 60 2.383 -1.584 -6.966 1.00 0.00 O ATOM 651 CB THR A 60 1.604 -4.490 -8.337 1.00 0.00 C ATOM 652 OG1 THR A 60 1.272 -5.844 -8.000 1.00 0.00 O ATOM 653 CG2 THR A 60 3.109 -4.340 -8.447 1.00 0.00 C ATOM 0 H THR A 60 -0.814 -4.257 -7.927 1.00 0.00 H new ATOM 0 HA THR A 60 1.444 -3.828 -6.296 1.00 0.00 H new ATOM 0 HB THR A 60 1.166 -4.231 -9.301 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.308 -5.982 -8.111 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.487 -5.019 -9.211 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.353 -3.313 -8.720 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.570 -4.580 -7.489 1.00 0.00 H new ATOM 661 N ASP A 61 0.711 -1.466 -8.476 1.00 0.00 N ATOM 662 CA ASP A 61 0.932 -0.057 -8.825 1.00 0.00 C ATOM 663 C ASP A 61 0.960 0.812 -7.573 1.00 0.00 C ATOM 664 O ASP A 61 1.884 1.600 -7.360 1.00 0.00 O ATOM 665 CB ASP A 61 -0.197 0.438 -9.737 1.00 0.00 C ATOM 666 CG ASP A 61 0.050 1.833 -10.280 1.00 0.00 C ATOM 667 OD1 ASP A 61 0.797 1.970 -11.272 1.00 0.00 O ATOM 668 OD2 ASP A 61 -0.525 2.795 -9.731 1.00 0.00 O ATOM 0 H ASP A 61 -0.050 -1.906 -8.994 1.00 0.00 H new ATOM 0 HA ASP A 61 1.891 0.017 -9.338 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.314 -0.255 -10.570 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.135 0.431 -9.182 1.00 0.00 H new ATOM 673 N LEU A 62 -0.050 0.636 -6.735 1.00 0.00 N ATOM 674 CA LEU A 62 -0.185 1.405 -5.506 1.00 0.00 C ATOM 675 C LEU A 62 0.908 1.032 -4.507 1.00 0.00 C ATOM 676 O LEU A 62 1.442 1.889 -3.806 1.00 0.00 O ATOM 677 CB LEU A 62 -1.561 1.148 -4.881 1.00 0.00 C ATOM 678 CG LEU A 62 -2.751 1.262 -5.835 1.00 0.00 C ATOM 679 CD1 LEU A 62 -4.051 1.048 -5.080 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.752 2.611 -6.535 1.00 0.00 C ATOM 0 H LEU A 62 -0.797 -0.042 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.085 2.462 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.562 0.149 -4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.706 1.853 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.660 0.487 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.891 1.132 -5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.050 0.056 -4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.147 1.802 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.607 2.671 -7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.819 3.406 -5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.831 2.725 -7.107 1.00 0.00 H new ATOM 692 N ARG A 63 1.237 -0.251 -4.452 1.00 0.00 N ATOM 693 CA ARG A 63 2.256 -0.738 -3.531 1.00 0.00 C ATOM 694 C ARG A 63 3.629 -0.176 -3.873 1.00 0.00 C ATOM 695 O ARG A 63 4.480 -0.035 -2.997 1.00 0.00 O ATOM 696 CB ARG A 63 2.282 -2.263 -3.511 1.00 0.00 C ATOM 697 CG ARG A 63 1.075 -2.856 -2.810 1.00 0.00 C ATOM 698 CD ARG A 63 1.159 -4.366 -2.699 1.00 0.00 C ATOM 699 NE ARG A 63 1.089 -5.017 -4.011 1.00 0.00 N ATOM 700 CZ ARG A 63 1.186 -6.336 -4.205 1.00 0.00 C ATOM 701 NH1 ARG A 63 1.256 -7.167 -3.173 1.00 0.00 N ATOM 702 NH2 ARG A 63 1.189 -6.831 -5.437 1.00 0.00 N ATOM 0 H ARG A 63 0.814 -0.974 -5.034 1.00 0.00 H new ATOM 0 HA ARG A 63 1.996 -0.387 -2.532 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.323 -2.636 -4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.190 -2.601 -3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.988 -2.425 -1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.171 -2.584 -3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.091 -4.642 -2.206 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.346 -4.729 -2.070 1.00 0.00 H new ATOM 0 HE ARG A 63 0.958 -4.424 -4.830 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.236 -6.801 -2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.330 -8.172 -3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.117 -6.204 -6.239 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.263 -7.838 -5.582 1.00 0.00 H new ATOM 716 N GLN A 64 3.845 0.136 -5.145 1.00 0.00 N ATOM 717 CA GLN A 64 5.061 0.822 -5.553 1.00 0.00 C ATOM 718 C GLN A 64 5.122 2.196 -4.901 1.00 0.00 C ATOM 719 O GLN A 64 6.163 2.596 -4.387 1.00 0.00 O ATOM 720 CB GLN A 64 5.128 0.951 -7.072 1.00 0.00 C ATOM 721 CG GLN A 64 5.134 -0.388 -7.789 1.00 0.00 C ATOM 722 CD GLN A 64 5.204 -0.248 -9.296 1.00 0.00 C ATOM 723 OE1 GLN A 64 4.619 -1.201 -10.004 1.00 0.00 O flip ATOM 724 NE2 GLN A 64 5.781 0.704 -9.819 1.00 0.00 N flip ATOM 0 H GLN A 64 3.198 -0.074 -5.905 1.00 0.00 H new ATOM 0 HA GLN A 64 5.919 0.234 -5.226 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.276 1.537 -7.418 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.027 1.505 -7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.984 -0.976 -7.444 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.234 -0.942 -7.522 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.219 1.417 -9.236 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.821 0.780 -10.835 1.00 0.00 H new ATOM 733 N LYS A 65 3.990 2.899 -4.895 1.00 0.00 N ATOM 734 CA LYS A 65 3.901 4.192 -4.228 1.00 0.00 C ATOM 735 C LYS A 65 4.173 4.033 -2.742 1.00 0.00 C ATOM 736 O LYS A 65 4.912 4.815 -2.145 1.00 0.00 O ATOM 737 CB LYS A 65 2.528 4.826 -4.431 1.00 0.00 C ATOM 738 CG LYS A 65 2.372 6.188 -3.758 1.00 0.00 C ATOM 739 CD LYS A 65 3.109 7.291 -4.513 1.00 0.00 C ATOM 740 CE LYS A 65 4.531 7.410 -4.015 1.00 0.00 C ATOM 741 NZ LYS A 65 5.382 8.297 -4.852 1.00 0.00 N ATOM 0 H LYS A 65 3.126 2.594 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 65 4.652 4.848 -4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.343 4.936 -5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.765 4.150 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.314 6.440 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.751 6.133 -2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.108 7.073 -5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.590 8.240 -4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.519 7.790 -2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.979 6.417 -3.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.142 8.700 -4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.798 7.746 -5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.802 9.066 -5.244 1.00 0.00 H new ATOM 755 N VAL A 66 3.563 3.012 -2.157 1.00 0.00 N ATOM 756 CA VAL A 66 3.797 2.662 -0.765 1.00 0.00 C ATOM 757 C VAL A 66 5.290 2.473 -0.496 1.00 0.00 C ATOM 758 O VAL A 66 5.803 2.939 0.520 1.00 0.00 O ATOM 759 CB VAL A 66 3.006 1.392 -0.370 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.428 0.898 0.997 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.515 1.682 -0.385 1.00 0.00 C ATOM 0 H VAL A 66 2.895 2.406 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 66 3.440 3.487 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 66 3.225 0.610 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.858 0.005 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.491 0.659 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.239 1.674 1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.967 0.782 -0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.292 2.478 0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.215 1.994 -1.385 1.00 0.00 H new ATOM 771 N TYR A 67 5.991 1.828 -1.424 1.00 0.00 N ATOM 772 CA TYR A 67 7.428 1.619 -1.276 1.00 0.00 C ATOM 773 C TYR A 67 8.198 2.932 -1.427 1.00 0.00 C ATOM 774 O TYR A 67 9.103 3.220 -0.641 1.00 0.00 O ATOM 775 CB TYR A 67 7.934 0.593 -2.293 1.00 0.00 C ATOM 776 CG TYR A 67 9.413 0.294 -2.159 1.00 0.00 C ATOM 777 CD1 TYR A 67 9.901 -0.448 -1.091 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.317 0.746 -3.112 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.250 -0.730 -0.974 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.666 0.469 -3.003 1.00 0.00 C ATOM 781 CZ TYR A 67 12.131 -0.239 -1.893 1.00 0.00 C ATOM 782 OH TYR A 67 13.473 -0.550 -1.826 1.00 0.00 O ATOM 0 H TYR A 67 5.591 1.444 -2.280 1.00 0.00 H new ATOM 0 HA TYR A 67 7.603 1.234 -0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.371 -0.333 -2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.735 0.961 -3.299 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.216 -0.811 -0.339 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.959 1.323 -3.952 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.606 -1.338 -0.156 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.354 0.797 -3.768 1.00 0.00 H new ATOM 0 HH TYR A 67 13.588 -1.401 -1.353 1.00 0.00 H new ATOM 792 N GLU A 68 7.843 3.726 -2.438 1.00 0.00 N ATOM 793 CA GLU A 68 8.500 5.011 -2.667 1.00 0.00 C ATOM 794 C GLU A 68 8.368 5.901 -1.437 1.00 0.00 C ATOM 795 O GLU A 68 9.355 6.420 -0.924 1.00 0.00 O ATOM 796 CB GLU A 68 7.891 5.735 -3.871 1.00 0.00 C ATOM 797 CG GLU A 68 7.869 4.917 -5.148 1.00 0.00 C ATOM 798 CD GLU A 68 7.433 5.729 -6.350 1.00 0.00 C ATOM 799 OE1 GLU A 68 6.273 6.193 -6.365 1.00 0.00 O ATOM 800 OE2 GLU A 68 8.244 5.910 -7.288 1.00 0.00 O ATOM 0 H GLU A 68 7.107 3.502 -3.108 1.00 0.00 H new ATOM 0 HA GLU A 68 9.553 4.811 -2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.871 6.029 -3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.453 6.652 -4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.863 4.508 -5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.194 4.070 -5.022 1.00 0.00 H new ATOM 807 N LEU A 69 7.144 6.031 -0.947 1.00 0.00 N ATOM 808 CA LEU A 69 6.843 6.888 0.195 1.00 0.00 C ATOM 809 C LEU A 69 7.635 6.476 1.437 1.00 0.00 C ATOM 810 O LEU A 69 7.951 7.313 2.286 1.00 0.00 O ATOM 811 CB LEU A 69 5.342 6.860 0.466 1.00 0.00 C ATOM 812 CG LEU A 69 4.481 7.535 -0.603 1.00 0.00 C ATOM 813 CD1 LEU A 69 3.016 7.382 -0.269 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.821 9.011 -0.723 1.00 0.00 C ATOM 0 H LEU A 69 6.331 5.547 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 69 7.146 7.907 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.025 5.822 0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.152 7.344 1.424 1.00 0.00 H new ATOM 0 HG LEU A 69 4.689 7.049 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.415 7.867 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.762 6.323 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.813 7.845 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.195 9.467 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.642 9.504 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.870 9.122 -0.998 1.00 0.00 H new ATOM 826 N MET A 70 7.966 5.192 1.538 1.00 0.00 N ATOM 827 CA MET A 70 8.789 4.697 2.642 1.00 0.00 C ATOM 828 C MET A 70 10.127 5.425 2.674 1.00 0.00 C ATOM 829 O MET A 70 10.552 5.917 3.718 1.00 0.00 O ATOM 830 CB MET A 70 9.062 3.196 2.509 1.00 0.00 C ATOM 831 CG MET A 70 7.833 2.316 2.593 1.00 0.00 C ATOM 832 SD MET A 70 8.243 0.569 2.448 1.00 0.00 S ATOM 833 CE MET A 70 6.606 -0.136 2.344 1.00 0.00 C ATOM 0 H MET A 70 7.679 4.475 0.872 1.00 0.00 H new ATOM 0 HA MET A 70 8.235 4.881 3.562 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.557 3.014 1.555 1.00 0.00 H new ATOM 0 HB3 MET A 70 9.759 2.897 3.292 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.325 2.492 3.541 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.135 2.591 1.802 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.603 -0.941 1.609 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.318 -0.532 3.318 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.897 0.634 2.042 1.00 0.00 H new ATOM 843 N GLN A 71 10.775 5.504 1.517 1.00 0.00 N ATOM 844 CA GLN A 71 12.094 6.106 1.422 1.00 0.00 C ATOM 845 C GLN A 71 11.995 7.612 1.193 1.00 0.00 C ATOM 846 O GLN A 71 12.969 8.340 1.389 1.00 0.00 O ATOM 847 CB GLN A 71 12.895 5.439 0.304 1.00 0.00 C ATOM 848 CG GLN A 71 12.118 5.297 -0.992 1.00 0.00 C ATOM 849 CD GLN A 71 12.955 4.755 -2.130 1.00 0.00 C ATOM 850 OE1 GLN A 71 13.910 3.895 -1.813 1.00 0.00 O flip ATOM 851 NE2 GLN A 71 12.742 5.102 -3.290 1.00 0.00 N flip ATOM 0 H GLN A 71 10.405 5.157 0.632 1.00 0.00 H new ATOM 0 HA GLN A 71 12.614 5.949 2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.797 6.021 0.116 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.216 4.452 0.636 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.267 4.636 -0.828 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.716 6.270 -1.276 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.996 5.767 -3.495 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.311 4.725 -4.048 1.00 0.00 H new ATOM 860 N GLU A 72 10.820 8.076 0.774 1.00 0.00 N ATOM 861 CA GLU A 72 10.569 9.508 0.655 1.00 0.00 C ATOM 862 C GLU A 72 10.556 10.145 2.038 1.00 0.00 C ATOM 863 O GLU A 72 10.833 11.333 2.195 1.00 0.00 O ATOM 864 CB GLU A 72 9.240 9.788 -0.050 1.00 0.00 C ATOM 865 CG GLU A 72 9.194 9.320 -1.497 1.00 0.00 C ATOM 866 CD GLU A 72 7.917 9.718 -2.219 1.00 0.00 C ATOM 867 OE1 GLU A 72 7.472 10.871 -2.045 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.346 8.877 -2.952 1.00 0.00 O ATOM 0 H GLU A 72 10.031 7.484 0.513 1.00 0.00 H new ATOM 0 HA GLU A 72 11.369 9.940 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.437 9.301 0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.044 10.860 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.049 9.733 -2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.295 8.235 -1.524 1.00 0.00 H new ATOM 875 N GLY A 73 10.217 9.340 3.039 1.00 0.00 N ATOM 876 CA GLY A 73 10.261 9.800 4.410 1.00 0.00 C ATOM 877 C GLY A 73 8.884 10.086 4.953 1.00 0.00 C ATOM 878 O GLY A 73 8.718 10.897 5.867 1.00 0.00 O ATOM 0 H GLY A 73 9.912 8.374 2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.746 9.046 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.869 10.702 4.471 1.00 0.00 H new ATOM 882 N LYS A 74 7.894 9.408 4.399 1.00 0.00 N ATOM 883 CA LYS A 74 6.512 9.628 4.781 1.00 0.00 C ATOM 884 C LYS A 74 6.176 8.835 6.040 1.00 0.00 C ATOM 885 O LYS A 74 6.857 7.866 6.380 1.00 0.00 O ATOM 886 CB LYS A 74 5.578 9.205 3.651 1.00 0.00 C ATOM 887 CG LYS A 74 6.023 9.676 2.279 1.00 0.00 C ATOM 888 CD LYS A 74 5.841 11.168 2.108 1.00 0.00 C ATOM 889 CE LYS A 74 6.648 11.685 0.937 1.00 0.00 C ATOM 890 NZ LYS A 74 6.617 13.167 0.850 1.00 0.00 N ATOM 0 H LYS A 74 8.024 8.697 3.679 1.00 0.00 H new ATOM 0 HA LYS A 74 6.377 10.691 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.501 8.118 3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.580 9.594 3.852 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.072 9.419 2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.453 9.151 1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.786 11.393 1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.147 11.682 3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.681 11.349 1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.258 11.259 0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.182 13.479 0.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.635 13.487 0.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.013 13.574 1.721 1.00 0.00 H new ATOM 904 N SER A 75 5.128 9.257 6.720 1.00 0.00 N ATOM 905 CA SER A 75 4.639 8.565 7.902 1.00 0.00 C ATOM 906 C SER A 75 3.572 7.561 7.497 1.00 0.00 C ATOM 907 O SER A 75 3.099 7.603 6.371 1.00 0.00 O ATOM 908 CB SER A 75 4.084 9.577 8.900 1.00 0.00 C ATOM 909 OG SER A 75 5.100 10.474 9.312 1.00 0.00 O ATOM 0 H SER A 75 4.591 10.088 6.471 1.00 0.00 H new ATOM 0 HA SER A 75 5.458 8.028 8.379 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.263 10.132 8.446 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.677 9.056 9.767 1.00 0.00 H new ATOM 0 HG SER A 75 4.729 11.118 9.951 1.00 0.00 H new ATOM 915 N LYS A 76 3.195 6.667 8.397 1.00 0.00 N ATOM 916 CA LYS A 76 2.252 5.597 8.060 1.00 0.00 C ATOM 917 C LYS A 76 0.959 6.156 7.472 1.00 0.00 C ATOM 918 O LYS A 76 0.564 5.789 6.364 1.00 0.00 O ATOM 919 CB LYS A 76 1.966 4.729 9.285 1.00 0.00 C ATOM 920 CG LYS A 76 2.938 3.561 9.466 1.00 0.00 C ATOM 921 CD LYS A 76 4.384 4.006 9.677 1.00 0.00 C ATOM 922 CE LYS A 76 5.122 4.213 8.362 1.00 0.00 C ATOM 923 NZ LYS A 76 6.533 4.624 8.578 1.00 0.00 N ATOM 0 H LYS A 76 3.522 6.655 9.363 1.00 0.00 H new ATOM 0 HA LYS A 76 2.714 4.972 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.999 5.356 10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.952 4.335 9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.621 2.962 10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.888 2.916 8.589 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.397 4.934 10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.909 3.259 10.272 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.097 3.290 7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.608 4.973 7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.128 4.236 7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.597 5.662 8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.864 4.262 9.495 1.00 0.00 H new ATOM 937 N LYS A 77 0.320 7.060 8.201 1.00 0.00 N ATOM 938 CA LYS A 77 -0.876 7.736 7.709 1.00 0.00 C ATOM 939 C LYS A 77 -0.540 8.561 6.487 1.00 0.00 C ATOM 940 O LYS A 77 -1.309 8.628 5.543 1.00 0.00 O ATOM 941 CB LYS A 77 -1.451 8.649 8.789 1.00 0.00 C ATOM 942 CG LYS A 77 -1.670 7.942 10.104 1.00 0.00 C ATOM 943 CD LYS A 77 -2.551 6.723 9.914 1.00 0.00 C ATOM 944 CE LYS A 77 -2.919 6.070 11.235 1.00 0.00 C ATOM 945 NZ LYS A 77 -3.975 5.040 11.054 1.00 0.00 N ATOM 0 H LYS A 77 0.609 7.344 9.137 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.615 6.980 7.446 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.775 9.490 8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.399 9.061 8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.711 7.642 10.526 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.133 8.624 10.817 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.461 7.013 9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.035 5.999 9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.033 5.612 11.676 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.266 6.830 11.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.265 4.673 11.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.796 5.465 10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.604 4.261 10.474 1.00 0.00 H new ATOM 959 N GLU A 78 0.622 9.178 6.523 1.00 0.00 N ATOM 960 CA GLU A 78 1.074 10.024 5.428 1.00 0.00 C ATOM 961 C GLU A 78 1.218 9.232 4.123 1.00 0.00 C ATOM 962 O GLU A 78 0.918 9.753 3.056 1.00 0.00 O ATOM 963 CB GLU A 78 2.391 10.701 5.802 1.00 0.00 C ATOM 964 CG GLU A 78 2.963 11.602 4.720 1.00 0.00 C ATOM 965 CD GLU A 78 2.073 12.791 4.413 1.00 0.00 C ATOM 966 OE1 GLU A 78 1.468 13.347 5.353 1.00 0.00 O ATOM 967 OE2 GLU A 78 1.976 13.177 3.226 1.00 0.00 O ATOM 0 H GLU A 78 1.277 9.112 7.302 1.00 0.00 H new ATOM 0 HA GLU A 78 0.318 10.790 5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.238 11.291 6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.125 9.932 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.944 11.960 5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.111 11.020 3.810 1.00 0.00 H new ATOM 974 N ILE A 79 1.670 7.977 4.204 1.00 0.00 N ATOM 975 CA ILE A 79 1.775 7.142 3.007 1.00 0.00 C ATOM 976 C ILE A 79 0.395 6.915 2.398 1.00 0.00 C ATOM 977 O ILE A 79 0.172 7.186 1.217 1.00 0.00 O ATOM 978 CB ILE A 79 2.439 5.756 3.278 1.00 0.00 C ATOM 979 CG1 ILE A 79 3.962 5.827 3.159 1.00 0.00 C ATOM 980 CG2 ILE A 79 1.918 4.710 2.304 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.697 5.947 4.473 1.00 0.00 C ATOM 0 H ILE A 79 1.964 7.525 5.070 1.00 0.00 H new ATOM 0 HA ILE A 79 2.418 7.686 2.315 1.00 0.00 H new ATOM 0 HB ILE A 79 2.178 5.473 4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.314 4.934 2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.224 6.680 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.394 3.751 2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.839 4.611 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.148 5.017 1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.770 5.991 4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.380 6.855 4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.472 5.082 5.096 1.00 0.00 H new ATOM 993 N VAL A 80 -0.536 6.444 3.214 1.00 0.00 N ATOM 994 CA VAL A 80 -1.868 6.137 2.727 1.00 0.00 C ATOM 995 C VAL A 80 -2.612 7.416 2.358 1.00 0.00 C ATOM 996 O VAL A 80 -3.349 7.452 1.373 1.00 0.00 O ATOM 997 CB VAL A 80 -2.679 5.297 3.741 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.584 5.871 5.143 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.127 5.201 3.314 1.00 0.00 C ATOM 0 H VAL A 80 -0.394 6.268 4.209 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.755 5.529 1.829 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.247 4.296 3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.166 5.255 5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.542 5.883 5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.976 6.888 5.147 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.682 4.606 4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.557 6.201 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.187 4.726 2.335 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.389 8.472 3.129 1.00 0.00 N ATOM 1010 CA ASP A 81 -2.985 9.769 2.841 1.00 0.00 C ATOM 1011 C ASP A 81 -2.432 10.328 1.541 1.00 0.00 C ATOM 1012 O ASP A 81 -3.141 10.974 0.776 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.728 10.755 3.978 1.00 0.00 C ATOM 1014 CG ASP A 81 -3.339 12.118 3.719 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -4.573 12.257 3.869 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -2.592 13.049 3.352 1.00 0.00 O ATOM 0 H ASP A 81 -1.798 8.455 3.960 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.061 9.628 2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.134 10.349 4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.653 10.865 4.123 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.162 10.060 1.289 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.530 10.468 0.047 1.00 0.00 C ATOM 1023 C TYR A 82 -1.230 9.784 -1.107 1.00 0.00 C ATOM 1024 O TYR A 82 -1.567 10.403 -2.121 1.00 0.00 O ATOM 1025 CB TYR A 82 0.945 10.071 0.032 1.00 0.00 C ATOM 1026 CG TYR A 82 1.768 10.864 -0.953 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.907 10.440 -2.268 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.403 12.036 -0.567 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.654 11.164 -3.173 1.00 0.00 C ATOM 1030 CE2 TYR A 82 3.151 12.766 -1.468 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.275 12.325 -2.768 1.00 0.00 C ATOM 1032 OH TYR A 82 4.023 13.048 -3.665 1.00 0.00 O ATOM 0 H TYR A 82 -0.547 9.560 1.931 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.604 11.552 -0.043 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.360 10.204 1.031 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.026 9.011 -0.208 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.422 9.529 -2.587 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.311 12.381 0.452 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.752 10.823 -4.193 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.637 13.679 -1.156 1.00 0.00 H new ATOM 0 HH TYR A 82 4.392 13.839 -3.220 1.00 0.00 H new ATOM 1042 N MET A 83 -1.449 8.489 -0.925 1.00 0.00 N ATOM 1043 CA MET A 83 -2.099 7.670 -1.921 1.00 0.00 C ATOM 1044 C MET A 83 -3.528 8.128 -2.147 1.00 0.00 C ATOM 1045 O MET A 83 -3.962 8.237 -3.281 1.00 0.00 O ATOM 1046 CB MET A 83 -2.072 6.194 -1.517 1.00 0.00 C ATOM 1047 CG MET A 83 -0.670 5.614 -1.438 1.00 0.00 C ATOM 1048 SD MET A 83 -0.540 4.016 -2.254 1.00 0.00 S ATOM 1049 CE MET A 83 -1.040 4.460 -3.911 1.00 0.00 C ATOM 0 H MET A 83 -1.179 7.983 -0.081 1.00 0.00 H new ATOM 0 HA MET A 83 -1.549 7.781 -2.855 1.00 0.00 H new ATOM 0 HB2 MET A 83 -2.559 6.082 -0.548 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.655 5.618 -2.235 1.00 0.00 H new ATOM 0 HG2 MET A 83 0.034 6.310 -1.894 1.00 0.00 H new ATOM 0 HG3 MET A 83 -0.382 5.509 -0.392 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.892 3.850 -4.210 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.321 5.513 -3.937 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.212 4.288 -4.599 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.258 8.416 -1.078 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.653 8.819 -1.216 1.00 0.00 C ATOM 1061 C VAL A 84 -5.770 10.239 -1.765 1.00 0.00 C ATOM 1062 O VAL A 84 -6.744 10.575 -2.433 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.447 8.693 0.108 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.469 7.254 0.571 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -5.865 9.562 1.207 1.00 0.00 C ATOM 0 H VAL A 84 -3.915 8.379 -0.118 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.098 8.126 -1.930 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.462 9.036 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.030 7.180 1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.944 6.634 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.448 6.909 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.454 9.441 2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.835 9.263 1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.888 10.606 0.896 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.781 11.067 -1.472 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.755 12.436 -1.964 1.00 0.00 C ATOM 1077 C ALA A 85 -4.588 12.479 -3.484 1.00 0.00 C ATOM 1078 O ALA A 85 -5.320 13.186 -4.178 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.635 13.200 -1.280 1.00 0.00 C ATOM 0 H ALA A 85 -3.981 10.814 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.709 12.908 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.616 14.225 -1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.803 13.205 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.681 12.719 -1.496 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.626 11.721 -3.999 1.00 0.00 N ATOM 1086 CA ARG A 86 -3.354 11.710 -5.438 1.00 0.00 C ATOM 1087 C ARG A 86 -4.123 10.597 -6.140 1.00 0.00 C ATOM 1088 O ARG A 86 -4.869 10.845 -7.087 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.857 11.539 -5.720 1.00 0.00 C ATOM 1090 CG ARG A 86 -1.036 12.805 -5.534 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.822 13.131 -4.066 1.00 0.00 C ATOM 1092 NE ARG A 86 -0.102 14.388 -3.889 1.00 0.00 N ATOM 1093 CZ ARG A 86 0.053 15.000 -2.719 1.00 0.00 C ATOM 1094 NH1 ARG A 86 -0.427 14.452 -1.611 1.00 0.00 N ATOM 1095 NH2 ARG A 86 0.703 16.151 -2.654 1.00 0.00 N ATOM 0 H ARG A 86 -3.023 11.109 -3.449 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.684 12.673 -5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.462 10.764 -5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.730 11.185 -6.743 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.070 12.686 -6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.540 13.639 -6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.787 13.191 -3.563 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.265 12.323 -3.592 1.00 0.00 H new ATOM 0 HE ARG A 86 0.308 14.824 -4.715 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.917 13.558 -1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.306 14.924 -0.715 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.086 16.569 -3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.821 16.620 -1.756 1.00 0.00 H new ATOM 1109 N TYR A 87 -3.952 9.379 -5.648 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.508 8.188 -6.280 1.00 0.00 C ATOM 1111 C TYR A 87 -5.863 7.829 -5.671 1.00 0.00 C ATOM 1112 O TYR A 87 -6.300 6.682 -5.739 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.542 7.010 -6.103 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.150 7.242 -6.666 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -1.939 7.334 -8.036 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -1.048 7.365 -5.824 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -0.673 7.540 -8.552 1.00 0.00 C ATOM 1118 CE2 TYR A 87 0.225 7.570 -6.332 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.405 7.657 -7.698 1.00 0.00 C ATOM 1120 OH TYR A 87 1.668 7.864 -8.214 1.00 0.00 O ATOM 0 H TYR A 87 -3.423 9.186 -4.797 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.647 8.397 -7.341 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.457 6.784 -5.040 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.971 6.130 -6.582 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.778 7.243 -8.710 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.188 7.299 -4.755 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.528 7.609 -9.620 1.00 0.00 H new ATOM 0 HE2 TYR A 87 1.069 7.661 -5.665 1.00 0.00 H new ATOM 0 HH TYR A 87 2.315 7.925 -7.481 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.540 8.822 -5.106 1.00 0.00 N ATOM 1131 CA GLY A 88 -7.774 8.578 -4.370 1.00 0.00 C ATOM 1132 C GLY A 88 -8.950 8.181 -5.244 1.00 0.00 C ATOM 1133 O GLY A 88 -10.079 8.084 -4.766 1.00 0.00 O ATOM 0 H GLY A 88 -6.256 9.801 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.598 7.790 -3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.036 9.478 -3.814 1.00 0.00 H new ATOM 1137 N ASN A 89 -8.700 7.968 -6.524 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.729 7.472 -7.423 1.00 0.00 C ATOM 1139 C ASN A 89 -9.591 5.959 -7.563 1.00 0.00 C ATOM 1140 O ASN A 89 -10.444 5.285 -8.137 1.00 0.00 O ATOM 1141 CB ASN A 89 -9.619 8.155 -8.788 1.00 0.00 C ATOM 1142 CG ASN A 89 -10.792 7.845 -9.701 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -11.913 7.629 -9.242 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -10.542 7.837 -11.000 1.00 0.00 N ATOM 0 H ASN A 89 -7.795 8.130 -6.965 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.711 7.702 -7.011 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.552 9.233 -8.644 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.695 7.840 -9.273 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.294 7.647 -11.663 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.598 8.021 -11.339 1.00 0.00 H new ATOM 1151 N PHE A 90 -8.502 5.433 -7.019 1.00 0.00 N ATOM 1152 CA PHE A 90 -8.236 4.001 -7.055 1.00 0.00 C ATOM 1153 C PHE A 90 -7.976 3.466 -5.651 1.00 0.00 C ATOM 1154 O PHE A 90 -8.090 2.267 -5.403 1.00 0.00 O ATOM 1155 CB PHE A 90 -7.026 3.699 -7.946 1.00 0.00 C ATOM 1156 CG PHE A 90 -7.167 4.202 -9.353 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -7.928 3.508 -10.278 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -6.533 5.367 -9.747 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -8.054 3.967 -11.575 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -6.653 5.831 -11.041 1.00 0.00 C ATOM 1161 CZ PHE A 90 -7.414 5.131 -11.956 1.00 0.00 C ATOM 0 H PHE A 90 -7.784 5.981 -6.545 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.116 3.508 -7.467 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.137 4.144 -7.499 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.865 2.621 -7.970 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.429 2.598 -9.983 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.938 5.919 -9.034 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.651 3.418 -12.289 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.152 6.741 -11.338 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.509 5.493 -12.969 1.00 0.00 H new ATOM 1171 N VAL A 91 -7.621 4.363 -4.738 1.00 0.00 N ATOM 1172 CA VAL A 91 -7.281 3.975 -3.377 1.00 0.00 C ATOM 1173 C VAL A 91 -8.236 4.639 -2.382 1.00 0.00 C ATOM 1174 O VAL A 91 -8.982 5.552 -2.743 1.00 0.00 O ATOM 1175 CB VAL A 91 -5.820 4.363 -3.027 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -4.932 4.357 -4.260 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -5.760 5.719 -2.359 1.00 0.00 C ATOM 0 H VAL A 91 -7.562 5.365 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.377 2.891 -3.309 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.449 3.611 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.916 4.633 -3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.928 3.360 -4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.314 5.073 -4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.724 5.964 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.169 6.474 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.344 5.697 -1.439 1.00 0.00 H new ATOM 1187 N THR A 92 -8.214 4.184 -1.134 1.00 0.00 N ATOM 1188 CA THR A 92 -9.040 4.774 -0.094 1.00 0.00 C ATOM 1189 C THR A 92 -8.416 4.570 1.292 1.00 0.00 C ATOM 1190 O THR A 92 -7.795 3.549 1.553 1.00 0.00 O ATOM 1191 CB THR A 92 -10.457 4.158 -0.117 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.104 4.454 -1.360 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.303 4.676 1.033 1.00 0.00 C ATOM 0 H THR A 92 -7.632 3.408 -0.821 1.00 0.00 H new ATOM 0 HA THR A 92 -9.106 5.844 -0.292 1.00 0.00 H new ATOM 0 HB THR A 92 -10.352 3.079 -0.008 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.000 4.058 -1.365 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.294 4.224 0.988 1.00 0.00 H new ATOM 0 HG22 THR A 92 -10.828 4.417 1.979 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.395 5.759 0.958 1.00 0.00 H new ATOM 1201 N TYR A 93 -8.554 5.560 2.166 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.150 5.403 3.554 1.00 0.00 C ATOM 1203 C TYR A 93 -9.378 5.059 4.382 1.00 0.00 C ATOM 1204 O TYR A 93 -10.216 5.920 4.636 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.483 6.683 4.087 1.00 0.00 C ATOM 1206 CG TYR A 93 -7.154 6.610 5.569 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -6.021 5.945 6.016 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -7.993 7.181 6.518 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -5.728 5.853 7.364 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -7.706 7.098 7.868 1.00 0.00 C ATOM 1211 CZ TYR A 93 -6.574 6.430 8.287 1.00 0.00 C ATOM 1212 OH TYR A 93 -6.295 6.323 9.635 1.00 0.00 O ATOM 0 H TYR A 93 -8.941 6.476 1.938 1.00 0.00 H new ATOM 0 HA TYR A 93 -7.416 4.600 3.626 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.567 6.869 3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.144 7.531 3.909 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.355 5.491 5.297 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.884 7.698 6.196 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.841 5.332 7.692 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -8.365 7.554 8.592 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.989 6.785 10.150 1.00 0.00 H new ATOM 1222 N ASP A 94 -9.480 3.807 4.805 1.00 0.00 N ATOM 1223 CA ASP A 94 -10.672 3.334 5.497 1.00 0.00 C ATOM 1224 C ASP A 94 -10.339 2.212 6.456 1.00 0.00 C ATOM 1225 O ASP A 94 -9.305 1.556 6.329 1.00 0.00 O ATOM 1226 CB ASP A 94 -11.706 2.800 4.502 1.00 0.00 C ATOM 1227 CG ASP A 94 -12.966 3.637 4.435 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -12.858 4.840 4.119 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -14.065 3.108 4.685 1.00 0.00 O ATOM 0 H ASP A 94 -8.754 3.101 4.682 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.076 4.186 6.043 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.256 2.755 3.510 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.971 1.779 4.778 1.00 0.00 H new ATOM 1234 N PRO A 95 -11.225 1.988 7.431 1.00 0.00 N ATOM 1235 CA PRO A 95 -11.213 0.780 8.250 1.00 0.00 C ATOM 1236 C PRO A 95 -11.607 -0.424 7.401 1.00 0.00 C ATOM 1237 O PRO A 95 -12.382 -0.289 6.447 1.00 0.00 O ATOM 1238 CB PRO A 95 -12.291 1.061 9.304 1.00 0.00 C ATOM 1239 CG PRO A 95 -13.204 2.032 8.645 1.00 0.00 C ATOM 1240 CD PRO A 95 -12.315 2.902 7.811 1.00 0.00 C ATOM 0 HA PRO A 95 -10.238 0.557 8.683 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.817 0.150 9.588 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.859 1.476 10.214 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.945 1.521 8.030 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.752 2.620 9.381 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.837 3.294 6.938 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.946 3.760 8.373 1.00 0.00 H new ATOM 1248 N PRO A 96 -11.098 -1.617 7.720 1.00 0.00 N ATOM 1249 CA PRO A 96 -11.371 -2.805 6.938 1.00 0.00 C ATOM 1250 C PRO A 96 -12.730 -3.403 7.285 1.00 0.00 C ATOM 1251 O PRO A 96 -13.501 -2.823 8.052 1.00 0.00 O ATOM 1252 CB PRO A 96 -10.231 -3.763 7.316 1.00 0.00 C ATOM 1253 CG PRO A 96 -9.469 -3.117 8.431 1.00 0.00 C ATOM 1254 CD PRO A 96 -10.250 -1.917 8.875 1.00 0.00 C ATOM 0 HA PRO A 96 -11.412 -2.599 5.868 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -10.627 -4.729 7.628 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.581 -3.946 6.460 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -9.335 -3.814 9.258 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.474 -2.824 8.096 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -10.843 -2.130 9.764 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.596 -1.081 9.121 1.00 0.00 H new ATOM 1262 N LEU A 97 -13.013 -4.572 6.728 1.00 0.00 N ATOM 1263 CA LEU A 97 -14.282 -5.257 6.958 1.00 0.00 C ATOM 1264 C LEU A 97 -14.210 -6.063 8.246 1.00 0.00 C ATOM 1265 O LEU A 97 -15.006 -6.973 8.480 1.00 0.00 O ATOM 1266 CB LEU A 97 -14.599 -6.188 5.790 1.00 0.00 C ATOM 1267 CG LEU A 97 -15.050 -5.511 4.480 1.00 0.00 C ATOM 1268 CD1 LEU A 97 -16.234 -4.586 4.735 1.00 0.00 C ATOM 1269 CD2 LEU A 97 -13.906 -4.747 3.821 1.00 0.00 C ATOM 0 H LEU A 97 -12.376 -5.072 6.108 1.00 0.00 H new ATOM 0 HA LEU A 97 -15.071 -4.510 7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.712 -6.786 5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -15.381 -6.878 6.105 1.00 0.00 H new ATOM 0 HG LEU A 97 -15.362 -6.297 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -16.538 -4.117 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -17.066 -5.163 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -15.946 -3.815 5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -14.261 -4.283 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.545 -3.975 4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.094 -5.436 3.590 1.00 0.00 H new ATOM 1281 N THR A 98 -13.214 -5.726 9.045 1.00 0.00 N ATOM 1282 CA THR A 98 -12.984 -6.343 10.338 1.00 0.00 C ATOM 1283 C THR A 98 -14.258 -6.350 11.196 1.00 0.00 C ATOM 1284 O THR A 98 -14.972 -5.347 11.283 1.00 0.00 O ATOM 1285 CB THR A 98 -11.840 -5.607 11.085 1.00 0.00 C ATOM 1286 OG1 THR A 98 -11.569 -6.233 12.346 1.00 0.00 O ATOM 1287 CG2 THR A 98 -12.180 -4.139 11.311 1.00 0.00 C ATOM 0 H THR A 98 -12.532 -5.005 8.810 1.00 0.00 H new ATOM 0 HA THR A 98 -12.694 -7.379 10.166 1.00 0.00 H new ATOM 0 HB THR A 98 -10.952 -5.667 10.456 1.00 0.00 H new ATOM 0 HG1 THR A 98 -10.844 -5.755 12.800 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.359 -3.652 11.836 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.337 -3.650 10.350 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.088 -4.064 11.909 1.00 0.00 H new ATOM 1295 N PRO A 99 -14.585 -7.503 11.801 1.00 0.00 N ATOM 1296 CA PRO A 99 -15.739 -7.631 12.692 1.00 0.00 C ATOM 1297 C PRO A 99 -15.556 -6.849 13.992 1.00 0.00 C ATOM 1298 O PRO A 99 -14.845 -7.336 14.894 1.00 0.00 O ATOM 1299 CB PRO A 99 -15.829 -9.135 12.964 1.00 0.00 C ATOM 1300 CG PRO A 99 -14.461 -9.663 12.700 1.00 0.00 C ATOM 1301 CD PRO A 99 -13.853 -8.772 11.651 1.00 0.00 C ATOM 0 HA PRO A 99 -16.645 -7.222 12.244 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -16.135 -9.332 13.991 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -16.566 -9.609 12.315 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -13.861 -9.656 13.610 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -14.504 -10.696 12.354 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -12.783 -8.638 11.811 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -13.976 -9.189 10.652 1.00 0.00 H new TER 1309 PRO A 99