USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1063 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 36 MET CE :methyl -170:sc= -1.93 (180deg=-1.92) USER MOD Set 1.2: A 41 GLN :FLIP amide:sc= -3.38 F(o=-14!,f=-5.3) USER MOD Set 2.1: A 8 GLN :FLIP amide:sc= -0.105 F(o=-4,f=-2) USER MOD Set 2.2: A 72 MET CE :methyl -135:sc= -1.85 (180deg=-4.65!) USER MOD Set 2.3: A 76 MET CE :methyl -147:sc= 0 (180deg=-0.956) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 142:sc= -0.0313 (180deg=-1.94) USER MOD Single : A 18 GLN : amide:sc= 0.413 K(o=0.41,f=-0.73) USER MOD Single : A 21 LYS NZ :NH3+ 171:sc=-0.00373 (180deg=-0.0739) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -17:sc= 0.264 USER MOD Single : A 42 ASN :FLIP amide:sc= -1.06 F(o=-4.2!,f=-1.1) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.073) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.742 F(o=-5.7!,f=-0.74) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.198 F(o=-2.9!,f=-0.2) USER MOD Single : A 59 ASN :FLIP amide:sc= -2.61 F(o=-9.2!,f=-2.6) USER MOD Single : A 60 ASN : amide:sc= -5.91! C(o=-5.9!,f=-6.9!) USER MOD Single : A 62 GLN :FLIP amide:sc= -3.05 F(o=-7.6!,f=-3) USER MOD Single : A 64 ASN : amide:sc= -2.62 K(o=-2.6,f=-3.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0099 USER MOD Single : A 69 CYS SG : rot -26:sc= -0.0918 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc=-0.00314 K(o=-0.0031,f=-2.3!) USER MOD Single : A 85 MET CE :methyl -139:sc= -1.98 (180deg=-3.79!) USER MOD Single : A 90 LYS NZ :NH3+ 162:sc= -2.87 (180deg=-3.48!) USER MOD Single : A 101 SER OG : rot -68:sc= 0.361 USER MOD Single : A 109 MET CE :methyl -160:sc= -0.442 (180deg=-0.812) USER MOD Single : A 111 ASN : amide:sc= -0.96 K(o=-0.96,f=-4.4!) USER MOD Single : A 115 LYS NZ :NH3+ 160:sc= -0.0762 (180deg=-0.478) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.534 USER MOD Single : A 124 MET CE :methyl 168:sc= 0 (180deg=-0.154) USER MOD Single : A 135 MET CE :methyl -147:sc= -0.894 (180deg=-1.93!) USER MOD Single : A 137 ASN : amide:sc= -0.273 K(o=-0.27,f=-3.3!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 MET CE :methyl 166:sc= -3.27! (180deg=-3.74!) USER MOD Single : A 146 SER OG : rot 80:sc= 1.17 USER MOD Single : A 147 GLN : amide:sc= 0.763 K(o=0.76,f=-0.77) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 3 11.592 -14.820 2.404 1.00 0.87 N ATOM 13 CA GLU A 3 11.873 -14.582 3.818 1.00 0.57 C ATOM 14 C GLU A 3 13.241 -13.934 4.000 1.00 0.48 C ATOM 15 O GLU A 3 13.989 -13.761 3.040 1.00 0.55 O ATOM 16 CB GLU A 3 11.824 -15.899 4.594 1.00 0.70 C ATOM 17 CG GLU A 3 10.477 -16.602 4.523 1.00 1.23 C ATOM 18 CD GLU A 3 10.460 -17.909 5.291 1.00 1.78 C ATOM 19 OE1 GLU A 3 10.846 -18.944 4.710 1.00 2.20 O ATOM 20 OE2 GLU A 3 10.057 -17.897 6.474 1.00 2.49 O ATOM 0 HA GLU A 3 11.112 -13.904 4.204 1.00 0.57 H new ATOM 0 HB2 GLU A 3 12.593 -16.567 4.207 1.00 0.70 H new ATOM 0 HB3 GLU A 3 12.067 -15.704 5.638 1.00 0.70 H new ATOM 0 HG2 GLU A 3 9.706 -15.942 4.920 1.00 1.23 H new ATOM 0 HG3 GLU A 3 10.226 -16.795 3.480 1.00 1.23 H new ATOM 27 N LEU A 4 13.559 -13.575 5.242 1.00 0.44 N ATOM 28 CA LEU A 4 14.842 -12.952 5.554 1.00 0.39 C ATOM 29 C LEU A 4 15.918 -14.013 5.769 1.00 0.37 C ATOM 30 O LEU A 4 16.565 -14.056 6.816 1.00 0.45 O ATOM 31 CB LEU A 4 14.723 -12.070 6.802 1.00 0.47 C ATOM 32 CG LEU A 4 14.180 -10.654 6.570 1.00 0.43 C ATOM 33 CD1 LEU A 4 15.102 -9.867 5.653 1.00 1.12 C ATOM 34 CD2 LEU A 4 12.771 -10.698 5.997 1.00 1.25 C ATOM 0 H LEU A 4 12.946 -13.705 6.047 1.00 0.44 H new ATOM 0 HA LEU A 4 15.129 -12.328 4.708 1.00 0.39 H new ATOM 0 HB2 LEU A 4 14.075 -12.574 7.519 1.00 0.47 H new ATOM 0 HB3 LEU A 4 15.708 -11.990 7.263 1.00 0.47 H new ATOM 0 HG LEU A 4 14.140 -10.149 7.535 1.00 0.43 H new ATOM 0 HD11 LEU A 4 14.698 -8.866 5.502 1.00 1.12 H new ATOM 0 HD12 LEU A 4 16.091 -9.794 6.106 1.00 1.12 H new ATOM 0 HD13 LEU A 4 15.180 -10.375 4.692 1.00 1.12 H new ATOM 0 HD21 LEU A 4 12.409 -9.681 5.842 1.00 1.25 H new ATOM 0 HD22 LEU A 4 12.782 -11.229 5.045 1.00 1.25 H new ATOM 0 HD23 LEU A 4 12.111 -11.216 6.693 1.00 1.25 H new ATOM 46 N THR A 5 16.100 -14.868 4.769 1.00 0.35 N ATOM 47 CA THR A 5 17.093 -15.936 4.837 1.00 0.37 C ATOM 48 C THR A 5 18.503 -15.373 4.681 1.00 0.35 C ATOM 49 O THR A 5 18.675 -14.231 4.268 1.00 0.39 O ATOM 50 CB THR A 5 16.842 -16.999 3.748 1.00 0.40 C ATOM 51 OG1 THR A 5 15.467 -17.399 3.764 1.00 0.46 O ATOM 52 CG2 THR A 5 17.725 -18.223 3.956 1.00 0.47 C ATOM 0 H THR A 5 15.571 -14.843 3.897 1.00 0.35 H new ATOM 0 HA THR A 5 17.000 -16.407 5.816 1.00 0.37 H new ATOM 0 HB THR A 5 17.088 -16.555 2.784 1.00 0.40 H new ATOM 0 HG1 THR A 5 15.314 -18.073 3.069 1.00 0.46 H new ATOM 0 HG21 THR A 5 17.524 -18.954 3.172 1.00 0.47 H new ATOM 0 HG22 THR A 5 18.773 -17.927 3.916 1.00 0.47 H new ATOM 0 HG23 THR A 5 17.510 -18.666 4.929 1.00 0.47 H new ATOM 60 N GLU A 6 19.507 -16.173 5.025 1.00 0.36 N ATOM 61 CA GLU A 6 20.901 -15.751 4.920 1.00 0.37 C ATOM 62 C GLU A 6 21.204 -15.132 3.555 1.00 0.33 C ATOM 63 O GLU A 6 21.807 -14.060 3.469 1.00 0.34 O ATOM 64 CB GLU A 6 21.827 -16.944 5.166 1.00 0.45 C ATOM 65 CG GLU A 6 21.530 -18.142 4.279 1.00 0.87 C ATOM 66 CD GLU A 6 22.531 -19.265 4.464 1.00 0.98 C ATOM 67 OE1 GLU A 6 22.349 -20.076 5.396 1.00 1.17 O ATOM 68 OE2 GLU A 6 23.499 -19.333 3.676 1.00 1.20 O ATOM 0 H GLU A 6 19.381 -17.121 5.380 1.00 0.36 H new ATOM 0 HA GLU A 6 21.075 -14.988 5.679 1.00 0.37 H new ATOM 0 HB2 GLU A 6 22.859 -16.631 5.005 1.00 0.45 H new ATOM 0 HB3 GLU A 6 21.745 -17.247 6.210 1.00 0.45 H new ATOM 0 HG2 GLU A 6 20.529 -18.513 4.498 1.00 0.87 H new ATOM 0 HG3 GLU A 6 21.532 -17.827 3.236 1.00 0.87 H new ATOM 75 N GLU A 7 20.777 -15.809 2.495 1.00 0.34 N ATOM 76 CA GLU A 7 21.012 -15.342 1.134 1.00 0.35 C ATOM 77 C GLU A 7 20.149 -14.129 0.805 1.00 0.30 C ATOM 78 O GLU A 7 20.621 -13.173 0.191 1.00 0.30 O ATOM 79 CB GLU A 7 20.739 -16.468 0.136 1.00 0.44 C ATOM 80 CG GLU A 7 19.344 -17.062 0.254 1.00 0.47 C ATOM 81 CD GLU A 7 19.129 -18.238 -0.679 1.00 0.57 C ATOM 82 OE1 GLU A 7 18.752 -18.007 -1.847 1.00 0.64 O ATOM 83 OE2 GLU A 7 19.335 -19.389 -0.241 1.00 0.61 O ATOM 0 H GLU A 7 20.263 -16.688 2.553 1.00 0.34 H new ATOM 0 HA GLU A 7 22.057 -15.041 1.059 1.00 0.35 H new ATOM 0 HB2 GLU A 7 20.878 -16.087 -0.876 1.00 0.44 H new ATOM 0 HB3 GLU A 7 21.475 -17.259 0.283 1.00 0.44 H new ATOM 0 HG2 GLU A 7 19.176 -17.383 1.282 1.00 0.47 H new ATOM 0 HG3 GLU A 7 18.605 -16.291 0.036 1.00 0.47 H new ATOM 90 N GLN A 8 18.885 -14.175 1.213 1.00 0.30 N ATOM 91 CA GLN A 8 17.963 -13.074 0.961 1.00 0.30 C ATOM 92 C GLN A 8 18.468 -11.787 1.599 1.00 0.25 C ATOM 93 O GLN A 8 18.472 -10.731 0.967 1.00 0.24 O ATOM 94 CB GLN A 8 16.576 -13.420 1.501 1.00 0.35 C ATOM 95 CG GLN A 8 15.838 -14.457 0.670 1.00 0.45 C ATOM 96 CD GLN A 8 15.496 -13.957 -0.720 1.00 0.72 C ATOM 97 OE1 GLN A 8 15.252 -12.656 -0.841 1.00 1.32 O flip ATOM 98 NE2 GLN A 8 15.445 -14.732 -1.676 1.00 1.02 N flip ATOM 0 H GLN A 8 18.477 -14.961 1.718 1.00 0.30 H new ATOM 0 HA GLN A 8 17.899 -12.919 -0.116 1.00 0.30 H new ATOM 0 HB2 GLN A 8 16.675 -13.789 2.522 1.00 0.35 H new ATOM 0 HB3 GLN A 8 15.977 -12.511 1.547 1.00 0.35 H new ATOM 0 HG2 GLN A 8 16.451 -15.354 0.588 1.00 0.45 H new ATOM 0 HG3 GLN A 8 14.921 -14.743 1.185 1.00 0.45 H new ATOM 0 HE21 GLN A 8 15.640 -15.724 -1.539 1.00 1.02 H new ATOM 0 HE22 GLN A 8 15.208 -14.382 -2.604 1.00 1.02 H new ATOM 107 N ILE A 9 18.894 -11.882 2.853 1.00 0.25 N ATOM 108 CA ILE A 9 19.408 -10.727 3.575 1.00 0.26 C ATOM 109 C ILE A 9 20.587 -10.116 2.833 1.00 0.25 C ATOM 110 O ILE A 9 20.615 -8.916 2.573 1.00 0.27 O ATOM 111 CB ILE A 9 19.843 -11.102 5.008 1.00 0.32 C ATOM 112 CG1 ILE A 9 18.631 -11.544 5.832 1.00 0.37 C ATOM 113 CG2 ILE A 9 20.547 -9.927 5.675 1.00 0.34 C ATOM 114 CD1 ILE A 9 18.990 -12.084 7.200 1.00 0.45 C ATOM 0 H ILE A 9 18.893 -12.749 3.391 1.00 0.25 H new ATOM 0 HA ILE A 9 18.600 -9.998 3.639 1.00 0.26 H new ATOM 0 HB ILE A 9 20.545 -11.934 4.953 1.00 0.32 H new ATOM 0 HG12 ILE A 9 17.955 -10.697 5.951 1.00 0.37 H new ATOM 0 HG13 ILE A 9 18.087 -12.310 5.280 1.00 0.37 H new ATOM 0 HG21 ILE A 9 20.847 -10.208 6.684 1.00 0.34 H new ATOM 0 HG22 ILE A 9 21.430 -9.656 5.096 1.00 0.34 H new ATOM 0 HG23 ILE A 9 19.868 -9.075 5.722 1.00 0.34 H new ATOM 0 HD11 ILE A 9 18.081 -12.377 7.726 1.00 0.45 H new ATOM 0 HD12 ILE A 9 19.641 -12.951 7.089 1.00 0.45 H new ATOM 0 HD13 ILE A 9 19.507 -11.313 7.771 1.00 0.45 H new ATOM 126 N ALA A 10 21.551 -10.960 2.485 1.00 0.26 N ATOM 127 CA ALA A 10 22.740 -10.517 1.771 1.00 0.28 C ATOM 128 C ALA A 10 22.401 -10.050 0.358 1.00 0.24 C ATOM 129 O ALA A 10 23.167 -9.309 -0.261 1.00 0.25 O ATOM 130 CB ALA A 10 23.762 -11.645 1.724 1.00 0.36 C ATOM 0 H ALA A 10 21.531 -11.960 2.687 1.00 0.26 H new ATOM 0 HA ALA A 10 23.163 -9.667 2.307 1.00 0.28 H new ATOM 0 HB1 ALA A 10 24.650 -11.309 1.189 1.00 0.36 H new ATOM 0 HB2 ALA A 10 24.036 -11.930 2.740 1.00 0.36 H new ATOM 0 HB3 ALA A 10 23.332 -12.504 1.210 1.00 0.36 H new ATOM 136 N GLU A 11 21.247 -10.477 -0.145 1.00 0.24 N ATOM 137 CA GLU A 11 20.820 -10.117 -1.493 1.00 0.25 C ATOM 138 C GLU A 11 20.438 -8.640 -1.591 1.00 0.22 C ATOM 139 O GLU A 11 21.005 -7.896 -2.397 1.00 0.22 O ATOM 140 CB GLU A 11 19.641 -10.998 -1.919 1.00 0.31 C ATOM 141 CG GLU A 11 19.080 -10.647 -3.287 1.00 0.40 C ATOM 142 CD GLU A 11 17.934 -11.552 -3.695 1.00 1.06 C ATOM 143 OE1 GLU A 11 16.779 -11.250 -3.330 1.00 1.93 O ATOM 144 OE2 GLU A 11 18.192 -12.564 -4.381 1.00 1.02 O ATOM 0 H GLU A 11 20.591 -11.073 0.360 1.00 0.24 H new ATOM 0 HA GLU A 11 21.661 -10.284 -2.166 1.00 0.25 H new ATOM 0 HB2 GLU A 11 19.960 -12.040 -1.923 1.00 0.31 H new ATOM 0 HB3 GLU A 11 18.847 -10.911 -1.177 1.00 0.31 H new ATOM 0 HG2 GLU A 11 18.737 -9.612 -3.281 1.00 0.40 H new ATOM 0 HG3 GLU A 11 19.874 -10.715 -4.030 1.00 0.40 H new ATOM 151 N PHE A 12 19.490 -8.207 -0.762 1.00 0.21 N ATOM 152 CA PHE A 12 19.056 -6.816 -0.792 1.00 0.23 C ATOM 153 C PHE A 12 20.036 -5.926 -0.038 1.00 0.20 C ATOM 154 O PHE A 12 20.132 -4.730 -0.309 1.00 0.22 O ATOM 155 CB PHE A 12 17.636 -6.663 -0.234 1.00 0.29 C ATOM 156 CG PHE A 12 17.475 -7.082 1.197 1.00 0.27 C ATOM 157 CD1 PHE A 12 17.909 -6.266 2.229 1.00 0.32 C ATOM 158 CD2 PHE A 12 16.874 -8.288 1.508 1.00 0.27 C ATOM 159 CE1 PHE A 12 17.747 -6.649 3.545 1.00 0.36 C ATOM 160 CE2 PHE A 12 16.707 -8.676 2.820 1.00 0.28 C ATOM 161 CZ PHE A 12 17.146 -7.856 3.840 1.00 0.33 C ATOM 0 H PHE A 12 19.016 -8.790 -0.073 1.00 0.21 H new ATOM 0 HA PHE A 12 19.038 -6.496 -1.834 1.00 0.23 H new ATOM 0 HB2 PHE A 12 17.334 -5.620 -0.329 1.00 0.29 H new ATOM 0 HB3 PHE A 12 16.954 -7.250 -0.849 1.00 0.29 H new ATOM 0 HD1 PHE A 12 18.379 -5.321 2.001 1.00 0.32 H new ATOM 0 HD2 PHE A 12 16.531 -8.934 0.713 1.00 0.27 H new ATOM 0 HE1 PHE A 12 18.090 -6.006 4.342 1.00 0.36 H new ATOM 0 HE2 PHE A 12 16.234 -9.619 3.049 1.00 0.28 H new ATOM 0 HZ PHE A 12 17.019 -8.159 4.869 1.00 0.33 H new ATOM 171 N LYS A 13 20.760 -6.511 0.913 1.00 0.18 N ATOM 172 CA LYS A 13 21.749 -5.763 1.673 1.00 0.21 C ATOM 173 C LYS A 13 22.861 -5.308 0.737 1.00 0.19 C ATOM 174 O LYS A 13 23.413 -4.218 0.888 1.00 0.24 O ATOM 175 CB LYS A 13 22.314 -6.617 2.812 1.00 0.26 C ATOM 176 CG LYS A 13 23.580 -6.054 3.438 1.00 0.31 C ATOM 177 CD LYS A 13 23.348 -4.666 4.010 1.00 0.40 C ATOM 178 CE LYS A 13 24.574 -4.153 4.741 1.00 0.68 C ATOM 179 NZ LYS A 13 25.773 -4.122 3.861 1.00 1.53 N ATOM 0 H LYS A 13 20.679 -7.494 1.172 1.00 0.18 H new ATOM 0 HA LYS A 13 21.275 -4.888 2.118 1.00 0.21 H new ATOM 0 HB2 LYS A 13 21.554 -6.721 3.586 1.00 0.26 H new ATOM 0 HB3 LYS A 13 22.522 -7.618 2.433 1.00 0.26 H new ATOM 0 HG2 LYS A 13 23.924 -6.721 4.228 1.00 0.31 H new ATOM 0 HG3 LYS A 13 24.370 -6.012 2.689 1.00 0.31 H new ATOM 0 HD2 LYS A 13 23.089 -3.978 3.205 1.00 0.40 H new ATOM 0 HD3 LYS A 13 22.499 -4.690 4.694 1.00 0.40 H new ATOM 0 HE2 LYS A 13 24.377 -3.151 5.121 1.00 0.68 H new ATOM 0 HE3 LYS A 13 24.774 -4.788 5.604 1.00 0.68 H new ATOM 0 HZ1 LYS A 13 26.339 -3.276 4.075 1.00 1.53 H new ATOM 0 HZ2 LYS A 13 26.347 -4.973 4.027 1.00 1.53 H new ATOM 0 HZ3 LYS A 13 25.473 -4.095 2.866 1.00 1.53 H new ATOM 193 N ASP A 14 23.179 -6.159 -0.235 1.00 0.16 N ATOM 194 CA ASP A 14 24.200 -5.841 -1.222 1.00 0.19 C ATOM 195 C ASP A 14 23.685 -4.737 -2.137 1.00 0.18 C ATOM 196 O ASP A 14 24.376 -3.749 -2.398 1.00 0.20 O ATOM 197 CB ASP A 14 24.557 -7.086 -2.037 1.00 0.23 C ATOM 198 CG ASP A 14 25.733 -6.856 -2.966 1.00 0.30 C ATOM 199 OD1 ASP A 14 26.878 -6.808 -2.471 1.00 0.38 O ATOM 200 OD2 ASP A 14 25.508 -6.725 -4.187 1.00 0.39 O ATOM 0 H ASP A 14 22.743 -7.073 -0.358 1.00 0.16 H new ATOM 0 HA ASP A 14 25.101 -5.497 -0.714 1.00 0.19 H new ATOM 0 HB2 ASP A 14 24.790 -7.906 -1.358 1.00 0.23 H new ATOM 0 HB3 ASP A 14 23.691 -7.393 -2.623 1.00 0.23 H new ATOM 205 N ALA A 15 22.458 -4.911 -2.617 1.00 0.17 N ATOM 206 CA ALA A 15 21.830 -3.924 -3.482 1.00 0.19 C ATOM 207 C ALA A 15 21.583 -2.626 -2.719 1.00 0.20 C ATOM 208 O ALA A 15 21.310 -1.585 -3.314 1.00 0.24 O ATOM 209 CB ALA A 15 20.522 -4.464 -4.039 1.00 0.22 C ATOM 0 H ALA A 15 21.880 -5.728 -2.420 1.00 0.17 H new ATOM 0 HA ALA A 15 22.504 -3.715 -4.313 1.00 0.19 H new ATOM 0 HB1 ALA A 15 20.064 -3.714 -4.684 1.00 0.22 H new ATOM 0 HB2 ALA A 15 20.718 -5.368 -4.616 1.00 0.22 H new ATOM 0 HB3 ALA A 15 19.845 -4.697 -3.217 1.00 0.22 H new ATOM 215 N PHE A 16 21.685 -2.702 -1.394 1.00 0.21 N ATOM 216 CA PHE A 16 21.463 -1.546 -0.533 1.00 0.25 C ATOM 217 C PHE A 16 22.694 -0.648 -0.490 1.00 0.23 C ATOM 218 O PHE A 16 22.588 0.570 -0.640 1.00 0.24 O ATOM 219 CB PHE A 16 21.097 -2.011 0.880 1.00 0.31 C ATOM 220 CG PHE A 16 20.961 -0.891 1.872 1.00 0.35 C ATOM 221 CD1 PHE A 16 19.886 -0.018 1.809 1.00 0.43 C ATOM 222 CD2 PHE A 16 21.906 -0.715 2.869 1.00 0.41 C ATOM 223 CE1 PHE A 16 19.759 1.010 2.722 1.00 0.52 C ATOM 224 CE2 PHE A 16 21.784 0.313 3.785 1.00 0.50 C ATOM 225 CZ PHE A 16 20.708 1.176 3.712 1.00 0.54 C ATOM 0 H PHE A 16 21.921 -3.558 -0.892 1.00 0.21 H new ATOM 0 HA PHE A 16 20.638 -0.965 -0.945 1.00 0.25 H new ATOM 0 HB2 PHE A 16 20.158 -2.563 0.839 1.00 0.31 H new ATOM 0 HB3 PHE A 16 21.860 -2.705 1.233 1.00 0.31 H new ATOM 0 HD1 PHE A 16 19.140 -0.143 1.038 1.00 0.43 H new ATOM 0 HD2 PHE A 16 22.748 -1.389 2.932 1.00 0.41 H new ATOM 0 HE1 PHE A 16 18.918 1.684 2.662 1.00 0.52 H new ATOM 0 HE2 PHE A 16 22.529 0.441 4.557 1.00 0.50 H new ATOM 0 HZ PHE A 16 20.609 1.979 4.427 1.00 0.54 H new ATOM 235 N VAL A 17 23.861 -1.252 -0.286 1.00 0.23 N ATOM 236 CA VAL A 17 25.103 -0.494 -0.230 1.00 0.24 C ATOM 237 C VAL A 17 25.441 0.080 -1.597 1.00 0.23 C ATOM 238 O VAL A 17 26.149 1.081 -1.706 1.00 0.28 O ATOM 239 CB VAL A 17 26.279 -1.356 0.266 1.00 0.28 C ATOM 240 CG1 VAL A 17 26.154 -1.618 1.758 1.00 0.90 C ATOM 241 CG2 VAL A 17 26.355 -2.662 -0.508 1.00 0.76 C ATOM 0 H VAL A 17 23.971 -2.258 -0.158 1.00 0.23 H new ATOM 0 HA VAL A 17 24.949 0.318 0.481 1.00 0.24 H new ATOM 0 HB VAL A 17 27.204 -0.807 0.091 1.00 0.28 H new ATOM 0 HG11 VAL A 17 26.993 -2.228 2.092 1.00 0.90 H new ATOM 0 HG12 VAL A 17 26.159 -0.670 2.296 1.00 0.90 H new ATOM 0 HG13 VAL A 17 25.220 -2.144 1.958 1.00 0.90 H new ATOM 0 HG21 VAL A 17 27.193 -3.254 -0.141 1.00 0.76 H new ATOM 0 HG22 VAL A 17 25.429 -3.220 -0.372 1.00 0.76 H new ATOM 0 HG23 VAL A 17 26.498 -2.449 -1.567 1.00 0.76 H new ATOM 251 N GLN A 18 24.932 -0.567 -2.641 1.00 0.20 N ATOM 252 CA GLN A 18 25.168 -0.117 -4.007 1.00 0.21 C ATOM 253 C GLN A 18 24.577 1.274 -4.243 1.00 0.21 C ATOM 254 O GLN A 18 24.981 1.976 -5.169 1.00 0.26 O ATOM 255 CB GLN A 18 24.566 -1.110 -5.000 1.00 0.24 C ATOM 256 CG GLN A 18 25.351 -2.406 -5.120 1.00 0.29 C ATOM 257 CD GLN A 18 24.739 -3.368 -6.121 1.00 1.04 C ATOM 258 OE1 GLN A 18 24.105 -2.952 -7.091 1.00 1.86 O ATOM 259 NE2 GLN A 18 24.928 -4.661 -5.890 1.00 1.60 N ATOM 0 H GLN A 18 24.354 -1.404 -2.566 1.00 0.20 H new ATOM 0 HA GLN A 18 26.246 -0.061 -4.159 1.00 0.21 H new ATOM 0 HB2 GLN A 18 23.545 -1.341 -4.696 1.00 0.24 H new ATOM 0 HB3 GLN A 18 24.507 -0.639 -5.981 1.00 0.24 H new ATOM 0 HG2 GLN A 18 26.375 -2.180 -5.418 1.00 0.29 H new ATOM 0 HG3 GLN A 18 25.402 -2.887 -4.143 1.00 0.29 H new ATOM 0 HE21 GLN A 18 25.460 -4.961 -5.073 1.00 1.60 H new ATOM 0 HE22 GLN A 18 24.541 -5.355 -6.529 1.00 1.60 H new ATOM 268 N PHE A 19 23.621 1.668 -3.403 1.00 0.22 N ATOM 269 CA PHE A 19 22.980 2.976 -3.537 1.00 0.25 C ATOM 270 C PHE A 19 23.413 3.928 -2.424 1.00 0.23 C ATOM 271 O PHE A 19 22.801 4.977 -2.223 1.00 0.32 O ATOM 272 CB PHE A 19 21.454 2.831 -3.537 1.00 0.29 C ATOM 273 CG PHE A 19 20.911 2.187 -4.783 1.00 0.30 C ATOM 274 CD1 PHE A 19 21.174 0.857 -5.065 1.00 0.44 C ATOM 275 CD2 PHE A 19 20.134 2.914 -5.671 1.00 0.64 C ATOM 276 CE1 PHE A 19 20.674 0.264 -6.208 1.00 0.46 C ATOM 277 CE2 PHE A 19 19.632 2.326 -6.816 1.00 0.69 C ATOM 278 CZ PHE A 19 19.901 1.000 -7.085 1.00 0.42 C ATOM 0 H PHE A 19 23.275 1.104 -2.627 1.00 0.22 H new ATOM 0 HA PHE A 19 23.298 3.400 -4.489 1.00 0.25 H new ATOM 0 HB2 PHE A 19 21.153 2.240 -2.672 1.00 0.29 H new ATOM 0 HB3 PHE A 19 21.004 3.817 -3.422 1.00 0.29 H new ATOM 0 HD1 PHE A 19 21.777 0.276 -4.383 1.00 0.44 H new ATOM 0 HD2 PHE A 19 19.918 3.952 -5.466 1.00 0.64 H new ATOM 0 HE1 PHE A 19 20.887 -0.774 -6.416 1.00 0.46 H new ATOM 0 HE2 PHE A 19 19.029 2.904 -7.500 1.00 0.69 H new ATOM 0 HZ PHE A 19 19.508 0.538 -7.979 1.00 0.42 H new ATOM 288 N ASP A 20 24.470 3.560 -1.706 1.00 0.25 N ATOM 289 CA ASP A 20 24.984 4.392 -0.622 1.00 0.24 C ATOM 290 C ASP A 20 25.863 5.512 -1.175 1.00 0.24 C ATOM 291 O ASP A 20 27.046 5.308 -1.447 1.00 0.29 O ATOM 292 CB ASP A 20 25.780 3.540 0.368 1.00 0.28 C ATOM 293 CG ASP A 20 26.422 4.370 1.461 1.00 0.32 C ATOM 294 OD1 ASP A 20 25.732 4.682 2.455 1.00 0.37 O ATOM 295 OD2 ASP A 20 27.617 4.707 1.323 1.00 0.37 O ATOM 0 H ASP A 20 24.987 2.693 -1.854 1.00 0.25 H new ATOM 0 HA ASP A 20 24.137 4.840 -0.102 1.00 0.24 H new ATOM 0 HB2 ASP A 20 25.119 2.800 0.819 1.00 0.28 H new ATOM 0 HB3 ASP A 20 26.554 2.991 -0.169 1.00 0.28 H new ATOM 300 N LYS A 21 25.276 6.695 -1.339 1.00 0.24 N ATOM 301 CA LYS A 21 25.991 7.841 -1.868 1.00 0.30 C ATOM 302 C LYS A 21 26.695 8.633 -0.767 1.00 0.29 C ATOM 303 O LYS A 21 27.918 8.780 -0.783 1.00 0.33 O ATOM 304 CB LYS A 21 25.011 8.742 -2.607 1.00 0.36 C ATOM 305 CG LYS A 21 25.683 9.896 -3.308 1.00 0.90 C ATOM 306 CD LYS A 21 26.409 9.436 -4.562 1.00 1.04 C ATOM 307 CE LYS A 21 26.906 10.617 -5.377 1.00 1.70 C ATOM 308 NZ LYS A 21 27.862 11.461 -4.609 1.00 2.47 N ATOM 0 H LYS A 21 24.300 6.880 -1.110 1.00 0.24 H new ATOM 0 HA LYS A 21 26.759 7.477 -2.550 1.00 0.30 H new ATOM 0 HB2 LYS A 21 24.463 8.149 -3.339 1.00 0.36 H new ATOM 0 HB3 LYS A 21 24.279 9.131 -1.899 1.00 0.36 H new ATOM 0 HG2 LYS A 21 24.938 10.647 -3.572 1.00 0.90 H new ATOM 0 HG3 LYS A 21 26.391 10.373 -2.630 1.00 0.90 H new ATOM 0 HD2 LYS A 21 27.252 8.802 -4.285 1.00 1.04 H new ATOM 0 HD3 LYS A 21 25.739 8.828 -5.170 1.00 1.04 H new ATOM 0 HE2 LYS A 21 27.390 10.254 -6.284 1.00 1.70 H new ATOM 0 HE3 LYS A 21 26.057 11.224 -5.690 1.00 1.70 H new ATOM 0 HZ1 LYS A 21 28.292 12.163 -5.244 1.00 2.47 H new ATOM 0 HZ2 LYS A 21 27.356 11.950 -3.844 1.00 2.47 H new ATOM 0 HZ3 LYS A 21 28.607 10.860 -4.202 1.00 2.47 H new ATOM 322 N GLU A 22 25.913 9.142 0.181 1.00 0.27 N ATOM 323 CA GLU A 22 26.450 9.938 1.283 1.00 0.29 C ATOM 324 C GLU A 22 27.631 9.250 1.964 1.00 0.31 C ATOM 325 O GLU A 22 28.655 9.881 2.231 1.00 0.41 O ATOM 326 CB GLU A 22 25.355 10.224 2.312 1.00 0.31 C ATOM 327 CG GLU A 22 24.179 11.004 1.746 1.00 0.35 C ATOM 328 CD GLU A 22 24.585 12.367 1.221 1.00 0.51 C ATOM 329 OE1 GLU A 22 24.639 13.321 2.026 1.00 0.93 O ATOM 330 OE2 GLU A 22 24.847 12.481 0.006 1.00 0.44 O ATOM 0 H GLU A 22 24.901 9.017 0.209 1.00 0.27 H new ATOM 0 HA GLU A 22 26.810 10.876 0.860 1.00 0.29 H new ATOM 0 HB2 GLU A 22 24.993 9.279 2.717 1.00 0.31 H new ATOM 0 HB3 GLU A 22 25.785 10.783 3.143 1.00 0.31 H new ATOM 0 HG2 GLU A 22 23.720 10.430 0.941 1.00 0.35 H new ATOM 0 HG3 GLU A 22 23.422 11.127 2.521 1.00 0.35 H new ATOM 337 N GLY A 23 27.485 7.960 2.244 1.00 0.31 N ATOM 338 CA GLY A 23 28.550 7.221 2.898 1.00 0.34 C ATOM 339 C GLY A 23 28.256 6.976 4.364 1.00 0.34 C ATOM 340 O GLY A 23 29.007 6.282 5.051 1.00 0.39 O ATOM 0 H GLY A 23 26.651 7.413 2.031 1.00 0.31 H new ATOM 0 HA2 GLY A 23 28.691 6.266 2.392 1.00 0.34 H new ATOM 0 HA3 GLY A 23 29.485 7.773 2.803 1.00 0.34 H new ATOM 344 N THR A 24 27.156 7.550 4.840 1.00 0.34 N ATOM 345 CA THR A 24 26.744 7.403 6.230 1.00 0.38 C ATOM 346 C THR A 24 26.011 6.084 6.448 1.00 0.36 C ATOM 347 O THR A 24 25.150 5.980 7.323 1.00 0.40 O ATOM 348 CB THR A 24 25.821 8.560 6.656 1.00 0.41 C ATOM 349 OG1 THR A 24 24.684 8.622 5.786 1.00 1.23 O ATOM 350 CG2 THR A 24 26.564 9.885 6.620 1.00 1.39 C ATOM 0 H THR A 24 26.530 8.126 4.277 1.00 0.34 H new ATOM 0 HA THR A 24 27.649 7.418 6.837 1.00 0.38 H new ATOM 0 HB THR A 24 25.489 8.375 7.678 1.00 0.41 H new ATOM 0 HG1 THR A 24 24.100 9.359 6.063 1.00 1.23 H new ATOM 0 HG21 THR A 24 25.892 10.687 6.925 1.00 1.39 H new ATOM 0 HG22 THR A 24 27.413 9.844 7.302 1.00 1.39 H new ATOM 0 HG23 THR A 24 26.920 10.075 5.608 1.00 1.39 H new ATOM 358 N GLY A 25 26.358 5.077 5.652 1.00 0.34 N ATOM 359 CA GLY A 25 25.707 3.787 5.769 1.00 0.37 C ATOM 360 C GLY A 25 24.246 3.861 5.377 1.00 0.31 C ATOM 361 O GLY A 25 23.509 2.883 5.498 1.00 0.36 O ATOM 0 H GLY A 25 27.077 5.132 4.930 1.00 0.34 H new ATOM 0 HA2 GLY A 25 26.218 3.062 5.135 1.00 0.37 H new ATOM 0 HA3 GLY A 25 25.791 3.428 6.795 1.00 0.37 H new ATOM 365 N LYS A 26 23.833 5.032 4.901 1.00 0.27 N ATOM 366 CA LYS A 26 22.456 5.255 4.486 1.00 0.23 C ATOM 367 C LYS A 26 22.389 5.657 3.018 1.00 0.21 C ATOM 368 O LYS A 26 23.353 6.188 2.466 1.00 0.24 O ATOM 369 CB LYS A 26 21.809 6.341 5.349 1.00 0.25 C ATOM 370 CG LYS A 26 21.563 5.911 6.787 1.00 0.29 C ATOM 371 CD LYS A 26 21.294 7.106 7.685 1.00 0.51 C ATOM 372 CE LYS A 26 19.861 7.592 7.549 1.00 0.89 C ATOM 373 NZ LYS A 26 19.642 8.882 8.259 1.00 1.58 N ATOM 0 H LYS A 26 24.439 5.845 4.793 1.00 0.27 H new ATOM 0 HA LYS A 26 21.910 4.321 4.617 1.00 0.23 H new ATOM 0 HB2 LYS A 26 22.449 7.224 5.347 1.00 0.25 H new ATOM 0 HB3 LYS A 26 20.860 6.634 4.899 1.00 0.25 H new ATOM 0 HG2 LYS A 26 20.714 5.228 6.824 1.00 0.29 H new ATOM 0 HG3 LYS A 26 22.429 5.363 7.158 1.00 0.29 H new ATOM 0 HD2 LYS A 26 21.491 6.835 8.722 1.00 0.51 H new ATOM 0 HD3 LYS A 26 21.979 7.915 7.432 1.00 0.51 H new ATOM 0 HE2 LYS A 26 19.617 7.713 6.493 1.00 0.89 H new ATOM 0 HE3 LYS A 26 19.183 6.838 7.948 1.00 0.89 H new ATOM 0 HZ1 LYS A 26 18.652 9.179 8.142 1.00 1.58 H new ATOM 0 HZ2 LYS A 26 19.850 8.761 9.271 1.00 1.58 H new ATOM 0 HZ3 LYS A 26 20.271 9.608 7.861 1.00 1.58 H new ATOM 387 N ILE A 27 21.246 5.399 2.391 1.00 0.19 N ATOM 388 CA ILE A 27 21.061 5.740 0.985 1.00 0.20 C ATOM 389 C ILE A 27 19.988 6.804 0.819 1.00 0.19 C ATOM 390 O ILE A 27 19.071 6.910 1.635 1.00 0.23 O ATOM 391 CB ILE A 27 20.687 4.504 0.140 1.00 0.23 C ATOM 392 CG1 ILE A 27 19.229 4.098 0.376 1.00 0.26 C ATOM 393 CG2 ILE A 27 21.617 3.348 0.465 1.00 0.25 C ATOM 394 CD1 ILE A 27 18.462 3.855 -0.903 1.00 0.54 C ATOM 0 H ILE A 27 20.438 4.958 2.831 1.00 0.19 H new ATOM 0 HA ILE A 27 22.015 6.129 0.628 1.00 0.20 H new ATOM 0 HB ILE A 27 20.799 4.763 -0.913 1.00 0.23 H new ATOM 0 HG12 ILE A 27 19.205 3.193 0.984 1.00 0.26 H new ATOM 0 HG13 ILE A 27 18.729 4.880 0.948 1.00 0.26 H new ATOM 0 HG21 ILE A 27 21.344 2.481 -0.137 1.00 0.25 H new ATOM 0 HG22 ILE A 27 22.645 3.635 0.243 1.00 0.25 H new ATOM 0 HG23 ILE A 27 21.530 3.097 1.522 1.00 0.25 H new ATOM 0 HD11 ILE A 27 17.437 3.571 -0.664 1.00 0.54 H new ATOM 0 HD12 ILE A 27 18.456 4.765 -1.502 1.00 0.54 H new ATOM 0 HD13 ILE A 27 18.939 3.053 -1.466 1.00 0.54 H new ATOM 406 N ALA A 28 20.111 7.598 -0.236 1.00 0.23 N ATOM 407 CA ALA A 28 19.154 8.660 -0.502 1.00 0.25 C ATOM 408 C ALA A 28 17.816 8.086 -0.962 1.00 0.25 C ATOM 409 O ALA A 28 17.770 7.216 -1.831 1.00 0.28 O ATOM 410 CB ALA A 28 19.706 9.619 -1.545 1.00 0.31 C ATOM 0 H ALA A 28 20.864 7.526 -0.920 1.00 0.23 H new ATOM 0 HA ALA A 28 18.987 9.208 0.425 1.00 0.25 H new ATOM 0 HB1 ALA A 28 18.979 10.409 -1.734 1.00 0.31 H new ATOM 0 HB2 ALA A 28 20.634 10.060 -1.179 1.00 0.31 H new ATOM 0 HB3 ALA A 28 19.902 9.077 -2.470 1.00 0.31 H new ATOM 416 N THR A 29 16.732 8.576 -0.364 1.00 0.28 N ATOM 417 CA THR A 29 15.389 8.124 -0.709 1.00 0.31 C ATOM 418 C THR A 29 15.091 8.356 -2.184 1.00 0.32 C ATOM 419 O THR A 29 14.249 7.676 -2.770 1.00 0.34 O ATOM 420 CB THR A 29 14.321 8.844 0.133 1.00 0.39 C ATOM 421 OG1 THR A 29 14.391 10.258 -0.088 1.00 0.40 O ATOM 422 CG2 THR A 29 14.512 8.546 1.611 1.00 0.43 C ATOM 0 H THR A 29 16.760 9.289 0.365 1.00 0.28 H new ATOM 0 HA THR A 29 15.353 7.056 -0.496 1.00 0.31 H new ATOM 0 HB THR A 29 13.340 8.479 -0.173 1.00 0.39 H new ATOM 0 HG1 THR A 29 13.707 10.708 0.451 1.00 0.40 H new ATOM 0 HG21 THR A 29 13.747 9.065 2.189 1.00 0.43 H new ATOM 0 HG22 THR A 29 14.428 7.472 1.779 1.00 0.43 H new ATOM 0 HG23 THR A 29 15.498 8.887 1.926 1.00 0.43 H new ATOM 430 N ARG A 30 15.780 9.325 -2.779 1.00 0.35 N ATOM 431 CA ARG A 30 15.595 9.640 -4.190 1.00 0.40 C ATOM 432 C ARG A 30 16.080 8.485 -5.061 1.00 0.40 C ATOM 433 O ARG A 30 15.918 8.500 -6.282 1.00 0.52 O ATOM 434 CB ARG A 30 16.352 10.919 -4.554 1.00 0.46 C ATOM 435 CG ARG A 30 15.913 12.138 -3.758 1.00 0.50 C ATOM 436 CD ARG A 30 16.760 13.354 -4.096 1.00 0.73 C ATOM 437 NE ARG A 30 16.664 13.712 -5.509 1.00 1.71 N ATOM 438 CZ ARG A 30 17.548 14.481 -6.139 1.00 2.26 C ATOM 439 NH1 ARG A 30 18.593 14.971 -5.483 1.00 2.04 N ATOM 440 NH2 ARG A 30 17.388 14.761 -7.424 1.00 3.39 N ATOM 0 H ARG A 30 16.472 9.906 -2.305 1.00 0.35 H new ATOM 0 HA ARG A 30 14.531 9.795 -4.370 1.00 0.40 H new ATOM 0 HB2 ARG A 30 17.418 10.757 -4.395 1.00 0.46 H new ATOM 0 HB3 ARG A 30 16.215 11.121 -5.616 1.00 0.46 H new ATOM 0 HG2 ARG A 30 14.865 12.353 -3.967 1.00 0.50 H new ATOM 0 HG3 ARG A 30 15.988 11.925 -2.692 1.00 0.50 H new ATOM 0 HD2 ARG A 30 16.441 14.199 -3.485 1.00 0.73 H new ATOM 0 HD3 ARG A 30 17.801 13.153 -3.843 1.00 0.73 H new ATOM 0 HE ARG A 30 15.874 13.352 -6.043 1.00 1.71 H new ATOM 0 HH11 ARG A 30 18.720 14.758 -4.494 1.00 2.04 H new ATOM 0 HH12 ARG A 30 19.269 15.560 -5.968 1.00 2.04 H new ATOM 0 HH21 ARG A 30 16.586 14.387 -7.932 1.00 3.39 H new ATOM 0 HH22 ARG A 30 18.067 15.351 -7.906 1.00 3.39 H new ATOM 454 N GLU A 31 16.677 7.487 -4.417 1.00 0.33 N ATOM 455 CA GLU A 31 17.193 6.318 -5.116 1.00 0.36 C ATOM 456 C GLU A 31 16.502 5.051 -4.629 1.00 0.31 C ATOM 457 O GLU A 31 16.616 3.992 -5.247 1.00 0.33 O ATOM 458 CB GLU A 31 18.702 6.192 -4.897 1.00 0.42 C ATOM 459 CG GLU A 31 19.395 7.517 -4.628 1.00 0.52 C ATOM 460 CD GLU A 31 20.907 7.399 -4.642 1.00 1.10 C ATOM 461 OE1 GLU A 31 21.500 7.471 -5.738 1.00 1.12 O ATOM 462 OE2 GLU A 31 21.498 7.234 -3.553 1.00 2.01 O ATOM 0 H GLU A 31 16.815 7.466 -3.407 1.00 0.33 H new ATOM 0 HA GLU A 31 16.992 6.444 -6.180 1.00 0.36 H new ATOM 0 HB2 GLU A 31 18.883 5.521 -4.057 1.00 0.42 H new ATOM 0 HB3 GLU A 31 19.150 5.730 -5.777 1.00 0.42 H new ATOM 0 HG2 GLU A 31 19.084 8.244 -5.378 1.00 0.52 H new ATOM 0 HG3 GLU A 31 19.073 7.901 -3.660 1.00 0.52 H new ATOM 469 N LEU A 32 15.786 5.170 -3.513 1.00 0.31 N ATOM 470 CA LEU A 32 15.081 4.036 -2.928 1.00 0.33 C ATOM 471 C LEU A 32 14.162 3.384 -3.955 1.00 0.29 C ATOM 472 O LEU A 32 14.220 2.175 -4.161 1.00 0.29 O ATOM 473 CB LEU A 32 14.283 4.485 -1.695 1.00 0.40 C ATOM 474 CG LEU A 32 13.851 3.371 -0.724 1.00 0.57 C ATOM 475 CD1 LEU A 32 12.711 2.556 -1.304 1.00 1.39 C ATOM 476 CD2 LEU A 32 15.022 2.464 -0.373 1.00 1.39 C ATOM 0 H LEU A 32 15.680 6.043 -2.996 1.00 0.31 H new ATOM 0 HA LEU A 32 15.817 3.296 -2.615 1.00 0.33 H new ATOM 0 HB2 LEU A 32 14.883 5.208 -1.142 1.00 0.40 H new ATOM 0 HB3 LEU A 32 13.390 5.008 -2.036 1.00 0.40 H new ATOM 0 HG LEU A 32 13.502 3.850 0.191 1.00 0.57 H new ATOM 0 HD11 LEU A 32 12.425 1.776 -0.598 1.00 1.39 H new ATOM 0 HD12 LEU A 32 11.857 3.207 -1.491 1.00 1.39 H new ATOM 0 HD13 LEU A 32 13.030 2.098 -2.240 1.00 1.39 H new ATOM 0 HD21 LEU A 32 14.687 1.687 0.314 1.00 1.39 H new ATOM 0 HD22 LEU A 32 15.410 2.003 -1.281 1.00 1.39 H new ATOM 0 HD23 LEU A 32 15.809 3.052 0.100 1.00 1.39 H new ATOM 488 N GLY A 33 13.319 4.190 -4.601 1.00 0.33 N ATOM 489 CA GLY A 33 12.405 3.659 -5.601 1.00 0.35 C ATOM 490 C GLY A 33 13.115 2.785 -6.619 1.00 0.33 C ATOM 491 O GLY A 33 12.642 1.696 -6.946 1.00 0.41 O ATOM 0 H GLY A 33 13.253 5.197 -4.450 1.00 0.33 H new ATOM 0 HA2 GLY A 33 11.626 3.079 -5.107 1.00 0.35 H new ATOM 0 HA3 GLY A 33 11.911 4.484 -6.114 1.00 0.35 H new ATOM 495 N THR A 34 14.250 3.264 -7.122 1.00 0.30 N ATOM 496 CA THR A 34 15.033 2.506 -8.092 1.00 0.31 C ATOM 497 C THR A 34 15.529 1.210 -7.462 1.00 0.27 C ATOM 498 O THR A 34 15.660 0.182 -8.129 1.00 0.30 O ATOM 499 CB THR A 34 16.240 3.321 -8.600 1.00 0.37 C ATOM 500 OG1 THR A 34 15.788 4.547 -9.188 1.00 0.42 O ATOM 501 CG2 THR A 34 17.043 2.531 -9.623 1.00 0.41 C ATOM 0 H THR A 34 14.646 4.171 -6.874 1.00 0.30 H new ATOM 0 HA THR A 34 14.386 2.282 -8.940 1.00 0.31 H new ATOM 0 HB THR A 34 16.885 3.538 -7.748 1.00 0.37 H new ATOM 0 HG1 THR A 34 16.559 5.061 -9.507 1.00 0.42 H new ATOM 0 HG21 THR A 34 17.888 3.130 -9.964 1.00 0.41 H new ATOM 0 HG22 THR A 34 17.411 1.612 -9.166 1.00 0.41 H new ATOM 0 HG23 THR A 34 16.407 2.284 -10.473 1.00 0.41 H new ATOM 509 N LEU A 35 15.801 1.274 -6.165 1.00 0.27 N ATOM 510 CA LEU A 35 16.267 0.117 -5.417 1.00 0.30 C ATOM 511 C LEU A 35 15.135 -0.898 -5.261 1.00 0.31 C ATOM 512 O LEU A 35 15.375 -2.084 -5.035 1.00 0.37 O ATOM 513 CB LEU A 35 16.787 0.567 -4.045 1.00 0.35 C ATOM 514 CG LEU A 35 17.116 -0.546 -3.051 1.00 0.50 C ATOM 515 CD1 LEU A 35 18.231 -1.436 -3.575 1.00 1.23 C ATOM 516 CD2 LEU A 35 17.503 0.050 -1.706 1.00 1.25 C ATOM 0 H LEU A 35 15.705 2.123 -5.607 1.00 0.27 H new ATOM 0 HA LEU A 35 17.082 -0.362 -5.960 1.00 0.30 H new ATOM 0 HB2 LEU A 35 17.685 1.166 -4.198 1.00 0.35 H new ATOM 0 HB3 LEU A 35 16.041 1.221 -3.593 1.00 0.35 H new ATOM 0 HG LEU A 35 16.226 -1.162 -2.923 1.00 0.50 H new ATOM 0 HD11 LEU A 35 18.444 -2.219 -2.847 1.00 1.23 H new ATOM 0 HD12 LEU A 35 17.922 -1.890 -4.517 1.00 1.23 H new ATOM 0 HD13 LEU A 35 19.128 -0.838 -3.738 1.00 1.23 H new ATOM 0 HD21 LEU A 35 17.735 -0.752 -1.006 1.00 1.25 H new ATOM 0 HD22 LEU A 35 18.378 0.689 -1.829 1.00 1.25 H new ATOM 0 HD23 LEU A 35 16.674 0.641 -1.318 1.00 1.25 H new ATOM 528 N MET A 36 13.898 -0.416 -5.386 1.00 0.35 N ATOM 529 CA MET A 36 12.721 -1.272 -5.261 1.00 0.43 C ATOM 530 C MET A 36 12.435 -2.031 -6.552 1.00 0.43 C ATOM 531 O MET A 36 12.006 -3.181 -6.514 1.00 0.54 O ATOM 532 CB MET A 36 11.492 -0.448 -4.872 1.00 0.56 C ATOM 533 CG MET A 36 11.767 0.576 -3.787 1.00 0.59 C ATOM 534 SD MET A 36 10.265 1.221 -3.029 1.00 1.21 S ATOM 535 CE MET A 36 9.826 -0.123 -1.929 1.00 0.72 C ATOM 0 H MET A 36 13.686 0.564 -5.574 1.00 0.35 H new ATOM 0 HA MET A 36 12.935 -1.997 -4.476 1.00 0.43 H new ATOM 0 HB2 MET A 36 11.114 0.065 -5.756 1.00 0.56 H new ATOM 0 HB3 MET A 36 10.705 -1.122 -4.533 1.00 0.56 H new ATOM 0 HG2 MET A 36 12.390 0.122 -3.016 1.00 0.59 H new ATOM 0 HG3 MET A 36 12.337 1.403 -4.211 1.00 0.59 H new ATOM 0 HE1 MET A 36 8.829 0.049 -1.524 1.00 0.72 H new ATOM 0 HE2 MET A 36 9.837 -1.063 -2.481 1.00 0.72 H new ATOM 0 HE3 MET A 36 10.545 -0.174 -1.112 1.00 0.72 H new ATOM 545 N ARG A 37 12.659 -1.386 -7.693 1.00 0.42 N ATOM 546 CA ARG A 37 12.406 -2.025 -8.981 1.00 0.47 C ATOM 547 C ARG A 37 13.444 -3.106 -9.272 1.00 0.43 C ATOM 548 O ARG A 37 13.126 -4.139 -9.860 1.00 0.47 O ATOM 549 CB ARG A 37 12.388 -0.992 -10.111 1.00 0.55 C ATOM 550 CG ARG A 37 13.730 -0.326 -10.361 1.00 0.95 C ATOM 551 CD ARG A 37 13.694 0.554 -11.600 1.00 1.20 C ATOM 552 NE ARG A 37 15.007 1.115 -11.909 1.00 1.99 N ATOM 553 CZ ARG A 37 15.302 1.712 -13.060 1.00 2.52 C ATOM 554 NH1 ARG A 37 14.383 1.826 -14.010 1.00 2.46 N ATOM 555 NH2 ARG A 37 16.521 2.198 -13.262 1.00 3.51 N ATOM 0 H ARG A 37 13.012 -0.431 -7.753 1.00 0.42 H new ATOM 0 HA ARG A 37 11.425 -2.496 -8.927 1.00 0.47 H new ATOM 0 HB2 ARG A 37 12.059 -1.479 -11.029 1.00 0.55 H new ATOM 0 HB3 ARG A 37 11.651 -0.224 -9.876 1.00 0.55 H new ATOM 0 HG2 ARG A 37 14.006 0.275 -9.495 1.00 0.95 H new ATOM 0 HG3 ARG A 37 14.500 -1.089 -10.478 1.00 0.95 H new ATOM 0 HD2 ARG A 37 13.340 -0.030 -12.450 1.00 1.20 H new ATOM 0 HD3 ARG A 37 12.980 1.364 -11.450 1.00 1.20 H new ATOM 0 HE ARG A 37 15.739 1.045 -11.202 1.00 1.99 H new ATOM 0 HH11 ARG A 37 13.445 1.455 -13.859 1.00 2.46 H new ATOM 0 HH12 ARG A 37 14.614 2.285 -14.891 1.00 2.46 H new ATOM 0 HH21 ARG A 37 17.231 2.113 -12.534 1.00 3.51 H new ATOM 0 HH22 ARG A 37 16.748 2.656 -14.145 1.00 3.51 H new ATOM 569 N THR A 38 14.685 -2.863 -8.859 1.00 0.39 N ATOM 570 CA THR A 38 15.759 -3.826 -9.075 1.00 0.39 C ATOM 571 C THR A 38 15.639 -5.005 -8.112 1.00 0.36 C ATOM 572 O THR A 38 16.271 -6.044 -8.303 1.00 0.39 O ATOM 573 CB THR A 38 17.146 -3.176 -8.905 1.00 0.40 C ATOM 574 OG1 THR A 38 18.173 -4.146 -9.140 1.00 0.46 O ATOM 575 CG2 THR A 38 17.310 -2.590 -7.511 1.00 0.32 C ATOM 0 H THR A 38 14.970 -2.012 -8.375 1.00 0.39 H new ATOM 0 HA THR A 38 15.661 -4.183 -10.100 1.00 0.39 H new ATOM 0 HB THR A 38 17.231 -2.368 -9.632 1.00 0.40 H new ATOM 0 HG1 THR A 38 17.791 -5.047 -9.084 1.00 0.46 H new ATOM 0 HG21 THR A 38 18.298 -2.138 -7.420 1.00 0.32 H new ATOM 0 HG22 THR A 38 16.547 -1.830 -7.344 1.00 0.32 H new ATOM 0 HG23 THR A 38 17.203 -3.381 -6.769 1.00 0.32 H new ATOM 583 N LEU A 39 14.820 -4.832 -7.081 1.00 0.33 N ATOM 584 CA LEU A 39 14.610 -5.868 -6.078 1.00 0.34 C ATOM 585 C LEU A 39 13.148 -6.306 -6.028 1.00 0.40 C ATOM 586 O LEU A 39 12.266 -5.583 -6.482 1.00 0.43 O ATOM 587 CB LEU A 39 15.074 -5.379 -4.707 1.00 0.32 C ATOM 588 CG LEU A 39 16.589 -5.202 -4.577 1.00 0.44 C ATOM 589 CD1 LEU A 39 16.949 -4.587 -3.238 1.00 1.05 C ATOM 590 CD2 LEU A 39 17.296 -6.533 -4.749 1.00 1.15 C ATOM 0 H LEU A 39 14.287 -3.978 -6.918 1.00 0.33 H new ATOM 0 HA LEU A 39 15.205 -6.737 -6.360 1.00 0.34 H new ATOM 0 HB2 LEU A 39 14.590 -4.427 -4.492 1.00 0.32 H new ATOM 0 HB3 LEU A 39 14.737 -6.087 -3.949 1.00 0.32 H new ATOM 0 HG LEU A 39 16.919 -4.525 -5.365 1.00 0.44 H new ATOM 0 HD11 LEU A 39 18.031 -4.471 -3.170 1.00 1.05 H new ATOM 0 HD12 LEU A 39 16.473 -3.611 -3.146 1.00 1.05 H new ATOM 0 HD13 LEU A 39 16.602 -5.236 -2.434 1.00 1.05 H new ATOM 0 HD21 LEU A 39 18.372 -6.388 -4.654 1.00 1.15 H new ATOM 0 HD22 LEU A 39 16.954 -7.228 -3.983 1.00 1.15 H new ATOM 0 HD23 LEU A 39 17.071 -6.940 -5.735 1.00 1.15 H new ATOM 602 N GLY A 40 12.907 -7.508 -5.510 1.00 0.45 N ATOM 603 CA GLY A 40 11.553 -8.041 -5.419 1.00 0.52 C ATOM 604 C GLY A 40 10.486 -6.997 -5.116 1.00 0.49 C ATOM 605 O GLY A 40 9.355 -7.110 -5.593 1.00 0.64 O ATOM 0 H GLY A 40 13.631 -8.129 -5.148 1.00 0.45 H new ATOM 0 HA2 GLY A 40 11.305 -8.534 -6.359 1.00 0.52 H new ATOM 0 HA3 GLY A 40 11.528 -8.805 -4.642 1.00 0.52 H new ATOM 609 N GLN A 41 10.840 -5.976 -4.333 1.00 0.46 N ATOM 610 CA GLN A 41 9.894 -4.919 -3.971 1.00 0.44 C ATOM 611 C GLN A 41 9.127 -4.409 -5.189 1.00 0.48 C ATOM 612 O GLN A 41 9.600 -4.509 -6.322 1.00 1.01 O ATOM 613 CB GLN A 41 10.619 -3.749 -3.308 1.00 0.48 C ATOM 614 CG GLN A 41 11.267 -4.090 -1.978 1.00 0.54 C ATOM 615 CD GLN A 41 11.829 -2.871 -1.283 1.00 1.55 C ATOM 616 OE1 GLN A 41 12.220 -1.875 -2.068 1.00 2.37 O flip ATOM 617 NE2 GLN A 41 11.905 -2.820 -0.056 1.00 2.20 N flip ATOM 0 H GLN A 41 11.773 -5.859 -3.938 1.00 0.46 H new ATOM 0 HA GLN A 41 9.183 -5.353 -3.268 1.00 0.44 H new ATOM 0 HB2 GLN A 41 11.386 -3.379 -3.989 1.00 0.48 H new ATOM 0 HB3 GLN A 41 9.909 -2.936 -3.155 1.00 0.48 H new ATOM 0 HG2 GLN A 41 10.532 -4.568 -1.330 1.00 0.54 H new ATOM 0 HG3 GLN A 41 12.066 -4.813 -2.141 1.00 0.54 H new ATOM 0 HE21 GLN A 41 11.592 -3.610 0.508 1.00 2.20 H new ATOM 0 HE22 GLN A 41 12.281 -1.987 0.398 1.00 2.20 H new ATOM 626 N ASN A 42 7.942 -3.853 -4.941 1.00 0.52 N ATOM 627 CA ASN A 42 7.104 -3.317 -6.010 1.00 0.53 C ATOM 628 C ASN A 42 5.905 -2.553 -5.437 1.00 0.51 C ATOM 629 O ASN A 42 4.756 -2.958 -5.614 1.00 0.59 O ATOM 630 CB ASN A 42 6.627 -4.445 -6.934 1.00 0.66 C ATOM 631 CG ASN A 42 5.664 -5.407 -6.258 1.00 1.27 C ATOM 632 OD1 ASN A 42 5.783 -5.554 -4.944 1.00 2.15 O flip ATOM 633 ND2 ASN A 42 4.815 -6.012 -6.915 1.00 1.71 N flip ATOM 0 H ASN A 42 7.541 -3.762 -4.007 1.00 0.52 H new ATOM 0 HA ASN A 42 7.705 -2.618 -6.593 1.00 0.53 H new ATOM 0 HB2 ASN A 42 6.142 -4.009 -7.807 1.00 0.66 H new ATOM 0 HB3 ASN A 42 7.493 -5.001 -7.294 1.00 0.66 H new ATOM 0 HD21 ASN A 42 4.755 -5.872 -7.924 1.00 1.71 H new ATOM 0 HD22 ASN A 42 4.172 -6.653 -6.450 1.00 1.71 H new ATOM 640 N PRO A 43 6.158 -1.426 -4.743 1.00 0.47 N ATOM 641 CA PRO A 43 5.091 -0.609 -4.143 1.00 0.54 C ATOM 642 C PRO A 43 4.271 0.136 -5.189 1.00 0.54 C ATOM 643 O PRO A 43 4.330 -0.175 -6.379 1.00 0.64 O ATOM 644 CB PRO A 43 5.866 0.389 -3.285 1.00 0.53 C ATOM 645 CG PRO A 43 7.161 0.537 -3.998 1.00 0.46 C ATOM 646 CD PRO A 43 7.492 -0.845 -4.490 1.00 0.45 C ATOM 0 HA PRO A 43 4.373 -1.216 -3.592 1.00 0.54 H new ATOM 0 HB2 PRO A 43 5.341 1.341 -3.206 1.00 0.53 H new ATOM 0 HB3 PRO A 43 6.008 0.018 -2.270 1.00 0.53 H new ATOM 0 HG2 PRO A 43 7.078 1.242 -4.825 1.00 0.46 H new ATOM 0 HG3 PRO A 43 7.937 0.916 -3.333 1.00 0.46 H new ATOM 0 HD2 PRO A 43 8.100 -0.818 -5.394 1.00 0.45 H new ATOM 0 HD3 PRO A 43 8.049 -1.417 -3.748 1.00 0.45 H new ATOM 654 N THR A 44 3.507 1.123 -4.733 1.00 0.59 N ATOM 655 CA THR A 44 2.682 1.925 -5.623 1.00 0.65 C ATOM 656 C THR A 44 3.283 3.313 -5.799 1.00 0.57 C ATOM 657 O THR A 44 3.998 3.798 -4.925 1.00 0.51 O ATOM 658 CB THR A 44 1.240 2.054 -5.094 1.00 0.78 C ATOM 659 OG1 THR A 44 0.725 0.760 -4.760 1.00 1.05 O ATOM 660 CG2 THR A 44 0.338 2.710 -6.129 1.00 1.02 C ATOM 0 H THR A 44 3.443 1.386 -3.749 1.00 0.59 H new ATOM 0 HA THR A 44 2.652 1.416 -6.586 1.00 0.65 H new ATOM 0 HB THR A 44 1.259 2.681 -4.203 1.00 0.78 H new ATOM 0 HG1 THR A 44 -0.191 0.849 -4.423 1.00 1.05 H new ATOM 0 HG21 THR A 44 -0.674 2.789 -5.732 1.00 1.02 H new ATOM 0 HG22 THR A 44 0.716 3.706 -6.362 1.00 1.02 H new ATOM 0 HG23 THR A 44 0.325 2.105 -7.036 1.00 1.02 H new ATOM 668 N GLU A 45 2.999 3.946 -6.932 1.00 0.61 N ATOM 669 CA GLU A 45 3.526 5.275 -7.217 1.00 0.61 C ATOM 670 C GLU A 45 3.280 6.236 -6.056 1.00 0.60 C ATOM 671 O GLU A 45 4.186 6.956 -5.635 1.00 0.56 O ATOM 672 CB GLU A 45 2.896 5.830 -8.495 1.00 0.75 C ATOM 673 CG GLU A 45 3.450 7.184 -8.910 1.00 1.33 C ATOM 674 CD GLU A 45 2.790 7.723 -10.164 1.00 2.16 C ATOM 675 OE1 GLU A 45 1.764 8.424 -10.041 1.00 2.69 O ATOM 676 OE2 GLU A 45 3.298 7.442 -11.269 1.00 2.64 O ATOM 0 H GLU A 45 2.407 3.560 -7.668 1.00 0.61 H new ATOM 0 HA GLU A 45 4.603 5.182 -7.355 1.00 0.61 H new ATOM 0 HB2 GLU A 45 3.053 5.119 -9.306 1.00 0.75 H new ATOM 0 HB3 GLU A 45 1.819 5.916 -8.351 1.00 0.75 H new ATOM 0 HG2 GLU A 45 3.310 7.895 -8.096 1.00 1.33 H new ATOM 0 HG3 GLU A 45 4.524 7.098 -9.077 1.00 1.33 H new ATOM 683 N ALA A 46 2.055 6.240 -5.539 1.00 0.66 N ATOM 684 CA ALA A 46 1.697 7.126 -4.437 1.00 0.70 C ATOM 685 C ALA A 46 2.538 6.857 -3.194 1.00 0.64 C ATOM 686 O ALA A 46 3.182 7.763 -2.672 1.00 0.66 O ATOM 687 CB ALA A 46 0.221 6.987 -4.106 1.00 0.83 C ATOM 0 H ALA A 46 1.296 5.642 -5.864 1.00 0.66 H new ATOM 0 HA ALA A 46 1.901 8.147 -4.761 1.00 0.70 H new ATOM 0 HB1 ALA A 46 -0.031 7.654 -3.282 1.00 0.83 H new ATOM 0 HB2 ALA A 46 -0.374 7.249 -4.981 1.00 0.83 H new ATOM 0 HB3 ALA A 46 0.008 5.958 -3.818 1.00 0.83 H new ATOM 693 N GLU A 47 2.531 5.613 -2.724 1.00 0.62 N ATOM 694 CA GLU A 47 3.290 5.240 -1.532 1.00 0.62 C ATOM 695 C GLU A 47 4.770 5.573 -1.692 1.00 0.50 C ATOM 696 O GLU A 47 5.401 6.093 -0.770 1.00 0.48 O ATOM 697 CB GLU A 47 3.120 3.748 -1.236 1.00 0.69 C ATOM 698 CG GLU A 47 3.902 3.277 -0.020 1.00 0.75 C ATOM 699 CD GLU A 47 3.485 3.984 1.255 1.00 1.31 C ATOM 700 OE1 GLU A 47 4.047 5.059 1.549 1.00 2.23 O ATOM 701 OE2 GLU A 47 2.595 3.463 1.960 1.00 1.34 O ATOM 0 H GLU A 47 2.009 4.846 -3.149 1.00 0.62 H new ATOM 0 HA GLU A 47 2.899 5.817 -0.694 1.00 0.62 H new ATOM 0 HB2 GLU A 47 2.062 3.535 -1.083 1.00 0.69 H new ATOM 0 HB3 GLU A 47 3.438 3.175 -2.107 1.00 0.69 H new ATOM 0 HG2 GLU A 47 3.762 2.203 0.103 1.00 0.75 H new ATOM 0 HG3 GLU A 47 4.966 3.443 -0.191 1.00 0.75 H new ATOM 708 N LEU A 48 5.315 5.270 -2.863 1.00 0.45 N ATOM 709 CA LEU A 48 6.720 5.531 -3.149 1.00 0.39 C ATOM 710 C LEU A 48 7.019 7.027 -3.053 1.00 0.35 C ATOM 711 O LEU A 48 8.068 7.434 -2.549 1.00 0.34 O ATOM 712 CB LEU A 48 7.066 4.993 -4.546 1.00 0.40 C ATOM 713 CG LEU A 48 8.553 4.979 -4.927 1.00 0.66 C ATOM 714 CD1 LEU A 48 8.994 6.344 -5.430 1.00 1.42 C ATOM 715 CD2 LEU A 48 9.414 4.536 -3.752 1.00 1.39 C ATOM 0 H LEU A 48 4.803 4.841 -3.634 1.00 0.45 H new ATOM 0 HA LEU A 48 7.337 5.020 -2.410 1.00 0.39 H new ATOM 0 HB2 LEU A 48 6.685 3.975 -4.623 1.00 0.40 H new ATOM 0 HB3 LEU A 48 6.531 5.591 -5.284 1.00 0.40 H new ATOM 0 HG LEU A 48 8.685 4.258 -5.734 1.00 0.66 H new ATOM 0 HD11 LEU A 48 10.051 6.310 -5.694 1.00 1.42 H new ATOM 0 HD12 LEU A 48 8.409 6.614 -6.309 1.00 1.42 H new ATOM 0 HD13 LEU A 48 8.839 7.087 -4.648 1.00 1.42 H new ATOM 0 HD21 LEU A 48 10.463 4.535 -4.049 1.00 1.39 H new ATOM 0 HD22 LEU A 48 9.274 5.224 -2.918 1.00 1.39 H new ATOM 0 HD23 LEU A 48 9.123 3.531 -3.446 1.00 1.39 H new ATOM 727 N GLN A 49 6.081 7.839 -3.529 1.00 0.45 N ATOM 728 CA GLN A 49 6.229 9.291 -3.506 1.00 0.52 C ATOM 729 C GLN A 49 6.005 9.852 -2.105 1.00 0.54 C ATOM 730 O GLN A 49 6.601 10.860 -1.728 1.00 0.58 O ATOM 731 CB GLN A 49 5.236 9.931 -4.474 1.00 0.67 C ATOM 732 CG GLN A 49 5.566 9.686 -5.938 1.00 0.70 C ATOM 733 CD GLN A 49 6.822 10.412 -6.382 1.00 0.77 C ATOM 734 OE1 GLN A 49 6.761 11.547 -6.855 1.00 1.21 O ATOM 735 NE2 GLN A 49 7.969 9.760 -6.227 1.00 1.02 N ATOM 0 H GLN A 49 5.205 7.514 -3.938 1.00 0.45 H new ATOM 0 HA GLN A 49 7.249 9.527 -3.811 1.00 0.52 H new ATOM 0 HB2 GLN A 49 4.238 9.544 -4.266 1.00 0.67 H new ATOM 0 HB3 GLN A 49 5.206 11.005 -4.292 1.00 0.67 H new ATOM 0 HG2 GLN A 49 5.691 8.616 -6.104 1.00 0.70 H new ATOM 0 HG3 GLN A 49 4.727 10.008 -6.555 1.00 0.70 H new ATOM 0 HE21 GLN A 49 7.972 8.820 -5.830 1.00 1.02 H new ATOM 0 HE22 GLN A 49 8.847 10.199 -6.505 1.00 1.02 H new ATOM 744 N ASP A 50 5.142 9.192 -1.339 1.00 0.59 N ATOM 745 CA ASP A 50 4.829 9.633 0.016 1.00 0.68 C ATOM 746 C ASP A 50 6.027 9.458 0.938 1.00 0.59 C ATOM 747 O ASP A 50 6.293 10.303 1.793 1.00 0.57 O ATOM 748 CB ASP A 50 3.631 8.859 0.570 1.00 0.88 C ATOM 749 CG ASP A 50 2.318 9.298 -0.050 1.00 1.05 C ATOM 750 OD1 ASP A 50 1.962 10.486 0.097 1.00 1.09 O ATOM 751 OD2 ASP A 50 1.647 8.454 -0.679 1.00 1.19 O ATOM 0 H ASP A 50 4.647 8.350 -1.633 1.00 0.59 H new ATOM 0 HA ASP A 50 4.578 10.693 -0.029 1.00 0.68 H new ATOM 0 HB2 ASP A 50 3.776 7.794 0.390 1.00 0.88 H new ATOM 0 HB3 ASP A 50 3.582 8.996 1.650 1.00 0.88 H new ATOM 756 N LEU A 51 6.747 8.357 0.759 1.00 0.60 N ATOM 757 CA LEU A 51 7.913 8.072 1.580 1.00 0.64 C ATOM 758 C LEU A 51 9.063 9.011 1.226 1.00 0.54 C ATOM 759 O LEU A 51 9.739 9.549 2.109 1.00 0.64 O ATOM 760 CB LEU A 51 8.334 6.605 1.406 1.00 0.76 C ATOM 761 CG LEU A 51 9.389 6.332 0.327 1.00 0.40 C ATOM 762 CD1 LEU A 51 10.792 6.430 0.903 1.00 0.86 C ATOM 763 CD2 LEU A 51 9.175 4.969 -0.301 1.00 0.84 C ATOM 0 H LEU A 51 6.543 7.649 0.053 1.00 0.60 H new ATOM 0 HA LEU A 51 7.654 8.237 2.626 1.00 0.64 H new ATOM 0 HB2 LEU A 51 8.716 6.242 2.360 1.00 0.76 H new ATOM 0 HB3 LEU A 51 7.445 6.018 1.174 1.00 0.76 H new ATOM 0 HG LEU A 51 9.280 7.092 -0.447 1.00 0.40 H new ATOM 0 HD11 LEU A 51 11.522 6.232 0.118 1.00 0.86 H new ATOM 0 HD12 LEU A 51 10.952 7.431 1.303 1.00 0.86 H new ATOM 0 HD13 LEU A 51 10.910 5.697 1.701 1.00 0.86 H new ATOM 0 HD21 LEU A 51 9.935 4.796 -1.064 1.00 0.84 H new ATOM 0 HD22 LEU A 51 9.250 4.199 0.467 1.00 0.84 H new ATOM 0 HD23 LEU A 51 8.186 4.930 -0.758 1.00 0.84 H new ATOM 775 N ILE A 52 9.269 9.220 -0.073 1.00 0.44 N ATOM 776 CA ILE A 52 10.345 10.077 -0.537 1.00 0.48 C ATOM 777 C ILE A 52 10.056 11.540 -0.227 1.00 0.53 C ATOM 778 O ILE A 52 10.974 12.338 -0.069 1.00 0.68 O ATOM 779 CB ILE A 52 10.581 9.925 -2.053 1.00 0.48 C ATOM 780 CG1 ILE A 52 11.069 8.509 -2.371 1.00 0.48 C ATOM 781 CG2 ILE A 52 11.578 10.966 -2.547 1.00 0.67 C ATOM 782 CD1 ILE A 52 11.272 8.251 -3.849 1.00 0.54 C ATOM 0 H ILE A 52 8.705 8.807 -0.816 1.00 0.44 H new ATOM 0 HA ILE A 52 11.243 9.763 -0.006 1.00 0.48 H new ATOM 0 HB ILE A 52 9.637 10.090 -2.573 1.00 0.48 H new ATOM 0 HG12 ILE A 52 12.009 8.333 -1.848 1.00 0.48 H new ATOM 0 HG13 ILE A 52 10.348 7.790 -1.982 1.00 0.48 H new ATOM 0 HG21 ILE A 52 11.732 10.843 -3.619 1.00 0.67 H new ATOM 0 HG22 ILE A 52 11.189 11.965 -2.349 1.00 0.67 H new ATOM 0 HG23 ILE A 52 12.527 10.836 -2.027 1.00 0.67 H new ATOM 0 HD11 ILE A 52 11.618 7.228 -3.996 1.00 0.54 H new ATOM 0 HD12 ILE A 52 10.329 8.394 -4.376 1.00 0.54 H new ATOM 0 HD13 ILE A 52 12.016 8.945 -4.241 1.00 0.54 H new ATOM 794 N ALA A 53 8.776 11.888 -0.150 1.00 0.50 N ATOM 795 CA ALA A 53 8.373 13.261 0.131 1.00 0.60 C ATOM 796 C ALA A 53 8.628 13.635 1.586 1.00 0.64 C ATOM 797 O ALA A 53 9.088 14.739 1.879 1.00 0.73 O ATOM 798 CB ALA A 53 6.910 13.461 -0.221 1.00 0.67 C ATOM 0 H ALA A 53 8.000 11.238 -0.278 1.00 0.50 H new ATOM 0 HA ALA A 53 8.981 13.920 -0.489 1.00 0.60 H new ATOM 0 HB1 ALA A 53 6.622 14.490 -0.007 1.00 0.67 H new ATOM 0 HB2 ALA A 53 6.759 13.255 -1.281 1.00 0.67 H new ATOM 0 HB3 ALA A 53 6.297 12.782 0.371 1.00 0.67 H new ATOM 804 N GLU A 54 8.321 12.719 2.498 1.00 0.63 N ATOM 805 CA GLU A 54 8.528 12.968 3.920 1.00 0.72 C ATOM 806 C GLU A 54 10.010 13.174 4.214 1.00 0.66 C ATOM 807 O GLU A 54 10.393 14.126 4.894 1.00 0.72 O ATOM 808 CB GLU A 54 7.982 11.808 4.752 1.00 0.81 C ATOM 809 CG GLU A 54 8.120 12.017 6.252 1.00 1.18 C ATOM 810 CD GLU A 54 7.408 13.265 6.736 1.00 1.71 C ATOM 811 OE1 GLU A 54 8.036 14.345 6.738 1.00 2.45 O ATOM 812 OE2 GLU A 54 6.221 13.163 7.113 1.00 1.82 O ATOM 0 H GLU A 54 7.930 11.802 2.280 1.00 0.63 H new ATOM 0 HA GLU A 54 7.988 13.875 4.192 1.00 0.72 H new ATOM 0 HB2 GLU A 54 6.930 11.662 4.509 1.00 0.81 H new ATOM 0 HB3 GLU A 54 8.504 10.893 4.471 1.00 0.81 H new ATOM 0 HG2 GLU A 54 7.718 11.149 6.774 1.00 1.18 H new ATOM 0 HG3 GLU A 54 9.177 12.083 6.510 1.00 1.18 H new ATOM 819 N ALA A 55 10.838 12.270 3.698 1.00 0.58 N ATOM 820 CA ALA A 55 12.281 12.351 3.896 1.00 0.56 C ATOM 821 C ALA A 55 12.916 13.353 2.933 1.00 0.58 C ATOM 822 O ALA A 55 14.070 13.746 3.104 1.00 0.62 O ATOM 823 CB ALA A 55 12.909 10.978 3.723 1.00 0.56 C ATOM 0 H ALA A 55 10.534 11.473 3.139 1.00 0.58 H new ATOM 0 HA ALA A 55 12.466 12.701 4.912 1.00 0.56 H new ATOM 0 HB1 ALA A 55 13.986 11.049 3.873 1.00 0.56 H new ATOM 0 HB2 ALA A 55 12.486 10.290 4.454 1.00 0.56 H new ATOM 0 HB3 ALA A 55 12.706 10.609 2.718 1.00 0.56 H new ATOM 829 N GLU A 56 12.152 13.754 1.919 1.00 0.59 N ATOM 830 CA GLU A 56 12.626 14.696 0.904 1.00 0.65 C ATOM 831 C GLU A 56 13.431 15.838 1.520 1.00 0.72 C ATOM 832 O GLU A 56 14.578 16.078 1.141 1.00 0.77 O ATOM 833 CB GLU A 56 11.444 15.277 0.126 1.00 0.72 C ATOM 834 CG GLU A 56 11.856 16.172 -1.031 1.00 0.82 C ATOM 835 CD GLU A 56 10.665 16.771 -1.756 1.00 1.52 C ATOM 836 OE1 GLU A 56 10.149 16.118 -2.687 1.00 1.79 O ATOM 837 OE2 GLU A 56 10.250 17.891 -1.392 1.00 2.45 O ATOM 0 H GLU A 56 11.193 13.438 1.777 1.00 0.59 H new ATOM 0 HA GLU A 56 13.279 14.141 0.230 1.00 0.65 H new ATOM 0 HB2 GLU A 56 10.835 14.458 -0.258 1.00 0.72 H new ATOM 0 HB3 GLU A 56 10.816 15.848 0.810 1.00 0.72 H new ATOM 0 HG2 GLU A 56 12.491 16.975 -0.657 1.00 0.82 H new ATOM 0 HG3 GLU A 56 12.454 15.596 -1.737 1.00 0.82 H new ATOM 844 N ASN A 57 12.822 16.537 2.473 1.00 0.77 N ATOM 845 CA ASN A 57 13.478 17.659 3.136 1.00 0.88 C ATOM 846 C ASN A 57 14.020 17.250 4.501 1.00 0.82 C ATOM 847 O ASN A 57 14.774 17.994 5.127 1.00 1.21 O ATOM 848 CB ASN A 57 12.502 18.827 3.296 1.00 1.17 C ATOM 849 CG ASN A 57 12.127 19.471 1.971 1.00 1.21 C ATOM 850 OD1 ASN A 57 12.062 18.672 0.912 1.00 1.80 O flip ATOM 851 ND2 ASN A 57 11.891 20.677 1.902 1.00 1.19 N flip ATOM 0 H ASN A 57 11.876 16.346 2.803 1.00 0.77 H new ATOM 0 HA ASN A 57 14.315 17.973 2.512 1.00 0.88 H new ATOM 0 HB2 ASN A 57 11.598 18.473 3.791 1.00 1.17 H new ATOM 0 HB3 ASN A 57 12.947 19.580 3.947 1.00 1.17 H new ATOM 0 HD21 ASN A 57 11.952 21.257 2.739 1.00 1.19 H new ATOM 0 HD22 ASN A 57 11.635 21.096 1.008 1.00 1.19 H new ATOM 858 N ASN A 58 13.631 16.063 4.956 1.00 1.05 N ATOM 859 CA ASN A 58 14.078 15.560 6.250 1.00 1.01 C ATOM 860 C ASN A 58 15.332 14.703 6.101 1.00 0.95 C ATOM 861 O ASN A 58 15.344 13.735 5.344 1.00 1.57 O ATOM 862 CB ASN A 58 12.966 14.747 6.921 1.00 1.04 C ATOM 863 CG ASN A 58 11.812 15.608 7.403 1.00 1.42 C ATOM 864 OD1 ASN A 58 11.549 16.706 6.704 1.00 1.82 O flip ATOM 865 ND2 ASN A 58 11.160 15.286 8.396 1.00 1.89 N flip ATOM 0 H ASN A 58 13.009 15.433 4.449 1.00 1.05 H new ATOM 0 HA ASN A 58 14.320 16.418 6.878 1.00 1.01 H new ATOM 0 HB2 ASN A 58 12.590 14.005 6.216 1.00 1.04 H new ATOM 0 HB3 ASN A 58 13.383 14.200 7.767 1.00 1.04 H new ATOM 0 HD21 ASN A 58 11.394 14.434 8.906 1.00 1.89 H new ATOM 0 HD22 ASN A 58 10.385 15.871 8.709 1.00 1.89 H new ATOM 872 N ASN A 59 16.382 15.076 6.831 1.00 0.75 N ATOM 873 CA ASN A 59 17.659 14.357 6.806 1.00 0.73 C ATOM 874 C ASN A 59 18.118 14.053 5.376 1.00 0.84 C ATOM 875 O ASN A 59 18.582 12.952 5.083 1.00 1.76 O ATOM 876 CB ASN A 59 17.570 13.070 7.639 1.00 0.76 C ATOM 877 CG ASN A 59 16.651 12.023 7.041 1.00 0.95 C ATOM 878 OD1 ASN A 59 17.215 11.123 6.246 1.00 1.75 O flip ATOM 879 ND2 ASN A 59 15.448 12.016 7.301 1.00 0.92 N flip ATOM 0 H ASN A 59 16.374 15.883 7.455 1.00 0.75 H new ATOM 0 HA ASN A 59 18.410 15.009 7.252 1.00 0.73 H new ATOM 0 HB2 ASN A 59 18.569 12.647 7.746 1.00 0.76 H new ATOM 0 HB3 ASN A 59 17.220 13.319 8.641 1.00 0.76 H new ATOM 0 HD21 ASN A 59 15.055 12.727 7.918 1.00 0.92 H new ATOM 0 HD22 ASN A 59 14.844 11.299 6.900 1.00 0.92 H new ATOM 886 N ASN A 60 17.987 15.049 4.497 1.00 0.57 N ATOM 887 CA ASN A 60 18.388 14.928 3.088 1.00 0.52 C ATOM 888 C ASN A 60 17.820 13.675 2.428 1.00 0.42 C ATOM 889 O ASN A 60 18.226 13.307 1.326 1.00 0.53 O ATOM 890 CB ASN A 60 19.917 14.936 2.950 1.00 0.58 C ATOM 891 CG ASN A 60 20.551 13.575 3.188 1.00 0.93 C ATOM 892 OD1 ASN A 60 20.976 13.263 4.301 1.00 1.99 O ATOM 893 ND2 ASN A 60 20.623 12.755 2.140 1.00 0.55 N ATOM 0 H ASN A 60 17.601 15.962 4.738 1.00 0.57 H new ATOM 0 HA ASN A 60 17.974 15.795 2.573 1.00 0.52 H new ATOM 0 HB2 ASN A 60 20.183 15.283 1.951 1.00 0.58 H new ATOM 0 HB3 ASN A 60 20.335 15.652 3.658 1.00 0.58 H new ATOM 0 HD21 ASN A 60 21.042 11.831 2.243 1.00 0.55 H new ATOM 0 HD22 ASN A 60 20.259 13.052 1.234 1.00 0.55 H new ATOM 900 N GLY A 61 16.873 13.030 3.095 1.00 0.37 N ATOM 901 CA GLY A 61 16.286 11.826 2.553 1.00 0.33 C ATOM 902 C GLY A 61 17.260 10.667 2.557 1.00 0.27 C ATOM 903 O GLY A 61 17.746 10.260 1.512 1.00 0.33 O ATOM 0 H GLY A 61 16.503 13.320 4.000 1.00 0.37 H new ATOM 0 HA2 GLY A 61 15.404 11.560 3.135 1.00 0.33 H new ATOM 0 HA3 GLY A 61 15.951 12.014 1.533 1.00 0.33 H new ATOM 907 N GLN A 62 17.562 10.159 3.744 1.00 0.29 N ATOM 908 CA GLN A 62 18.475 9.030 3.896 1.00 0.25 C ATOM 909 C GLN A 62 17.750 7.854 4.549 1.00 0.29 C ATOM 910 O GLN A 62 16.762 8.044 5.259 1.00 0.42 O ATOM 911 CB GLN A 62 19.698 9.436 4.728 1.00 0.30 C ATOM 912 CG GLN A 62 20.756 10.188 3.939 1.00 0.31 C ATOM 913 CD GLN A 62 21.541 9.278 3.015 1.00 0.32 C ATOM 914 OE1 GLN A 62 21.060 9.125 1.789 1.00 0.38 O flip ATOM 915 NE2 GLN A 62 22.568 8.720 3.400 1.00 0.54 N flip ATOM 0 H GLN A 62 17.186 10.513 4.623 1.00 0.29 H new ATOM 0 HA GLN A 62 18.820 8.724 2.908 1.00 0.25 H new ATOM 0 HB2 GLN A 62 19.369 10.058 5.560 1.00 0.30 H new ATOM 0 HB3 GLN A 62 20.147 8.540 5.157 1.00 0.30 H new ATOM 0 HG2 GLN A 62 20.279 10.973 3.353 1.00 0.31 H new ATOM 0 HG3 GLN A 62 21.441 10.678 4.630 1.00 0.31 H new ATOM 0 HE21 GLN A 62 22.902 8.867 4.353 1.00 0.54 H new ATOM 0 HE22 GLN A 62 23.086 8.111 2.766 1.00 0.54 H new ATOM 924 N LEU A 63 18.241 6.641 4.307 1.00 0.28 N ATOM 925 CA LEU A 63 17.614 5.442 4.863 1.00 0.37 C ATOM 926 C LEU A 63 18.650 4.472 5.415 1.00 0.27 C ATOM 927 O LEU A 63 19.771 4.409 4.925 1.00 0.23 O ATOM 928 CB LEU A 63 16.786 4.743 3.787 1.00 0.57 C ATOM 929 CG LEU A 63 15.800 5.642 3.046 1.00 0.90 C ATOM 930 CD1 LEU A 63 15.432 5.028 1.707 1.00 1.58 C ATOM 931 CD2 LEU A 63 14.554 5.876 3.889 1.00 1.61 C ATOM 0 H LEU A 63 19.065 6.461 3.734 1.00 0.28 H new ATOM 0 HA LEU A 63 16.969 5.755 5.684 1.00 0.37 H new ATOM 0 HB2 LEU A 63 17.465 4.297 3.060 1.00 0.57 H new ATOM 0 HB3 LEU A 63 16.232 3.926 4.249 1.00 0.57 H new ATOM 0 HG LEU A 63 16.276 6.606 2.865 1.00 0.90 H new ATOM 0 HD11 LEU A 63 14.728 5.680 1.189 1.00 1.58 H new ATOM 0 HD12 LEU A 63 16.331 4.910 1.101 1.00 1.58 H new ATOM 0 HD13 LEU A 63 14.973 4.053 1.868 1.00 1.58 H new ATOM 0 HD21 LEU A 63 13.862 6.519 3.345 1.00 1.61 H new ATOM 0 HD22 LEU A 63 14.073 4.921 4.100 1.00 1.61 H new ATOM 0 HD23 LEU A 63 14.834 6.356 4.827 1.00 1.61 H new ATOM 943 N ASN A 64 18.244 3.676 6.400 1.00 0.31 N ATOM 944 CA ASN A 64 19.140 2.711 7.027 1.00 0.28 C ATOM 945 C ASN A 64 18.727 1.287 6.688 1.00 0.25 C ATOM 946 O ASN A 64 17.572 1.030 6.346 1.00 0.27 O ATOM 947 CB ASN A 64 19.131 2.870 8.549 1.00 0.41 C ATOM 948 CG ASN A 64 18.868 4.292 8.998 1.00 0.53 C ATOM 949 OD1 ASN A 64 19.797 5.068 9.209 1.00 1.34 O ATOM 950 ND2 ASN A 64 17.595 4.633 9.156 1.00 0.95 N ATOM 0 H ASN A 64 17.298 3.681 6.781 1.00 0.31 H new ATOM 0 HA ASN A 64 20.142 2.903 6.643 1.00 0.28 H new ATOM 0 HB2 ASN A 64 18.369 2.215 8.972 1.00 0.41 H new ATOM 0 HB3 ASN A 64 20.091 2.541 8.948 1.00 0.41 H new ATOM 0 HD21 ASN A 64 17.354 5.575 9.465 1.00 0.95 H new ATOM 0 HD22 ASN A 64 16.858 3.953 8.968 1.00 0.95 H new ATOM 957 N PHE A 65 19.687 0.370 6.773 1.00 0.25 N ATOM 958 CA PHE A 65 19.442 -1.040 6.487 1.00 0.26 C ATOM 959 C PHE A 65 18.144 -1.519 7.137 1.00 0.27 C ATOM 960 O PHE A 65 17.474 -2.411 6.619 1.00 0.31 O ATOM 961 CB PHE A 65 20.623 -1.879 6.985 1.00 0.32 C ATOM 962 CG PHE A 65 20.363 -3.360 6.992 1.00 0.30 C ATOM 963 CD1 PHE A 65 20.344 -4.080 5.810 1.00 0.36 C ATOM 964 CD2 PHE A 65 20.142 -4.031 8.185 1.00 0.39 C ATOM 965 CE1 PHE A 65 20.108 -5.442 5.816 1.00 0.44 C ATOM 966 CE2 PHE A 65 19.905 -5.392 8.197 1.00 0.45 C ATOM 967 CZ PHE A 65 19.889 -6.099 7.011 1.00 0.45 C ATOM 0 H PHE A 65 20.649 0.581 7.040 1.00 0.25 H new ATOM 0 HA PHE A 65 19.340 -1.160 5.408 1.00 0.26 H new ATOM 0 HB2 PHE A 65 21.490 -1.676 6.356 1.00 0.32 H new ATOM 0 HB3 PHE A 65 20.880 -1.561 7.995 1.00 0.32 H new ATOM 0 HD1 PHE A 65 20.515 -3.572 4.873 1.00 0.36 H new ATOM 0 HD2 PHE A 65 20.155 -3.483 9.116 1.00 0.39 H new ATOM 0 HE1 PHE A 65 20.095 -5.992 4.887 1.00 0.44 H new ATOM 0 HE2 PHE A 65 19.732 -5.902 9.133 1.00 0.45 H new ATOM 0 HZ PHE A 65 19.706 -7.163 7.018 1.00 0.45 H new ATOM 977 N THR A 66 17.792 -0.915 8.267 1.00 0.28 N ATOM 978 CA THR A 66 16.578 -1.285 8.987 1.00 0.32 C ATOM 979 C THR A 66 15.329 -0.872 8.220 1.00 0.31 C ATOM 980 O THR A 66 14.404 -1.663 8.057 1.00 0.33 O ATOM 981 CB THR A 66 16.525 -0.625 10.373 1.00 0.38 C ATOM 982 OG1 THR A 66 17.841 -0.543 10.934 1.00 0.56 O ATOM 983 CG2 THR A 66 15.621 -1.409 11.310 1.00 0.52 C ATOM 0 H THR A 66 18.330 -0.167 8.704 1.00 0.28 H new ATOM 0 HA THR A 66 16.604 -2.369 9.095 1.00 0.32 H new ATOM 0 HB THR A 66 16.120 0.380 10.253 1.00 0.38 H new ATOM 0 HG1 THR A 66 17.795 -0.119 11.816 1.00 0.56 H new ATOM 0 HG21 THR A 66 15.599 -0.923 12.285 1.00 0.52 H new ATOM 0 HG22 THR A 66 14.612 -1.443 10.899 1.00 0.52 H new ATOM 0 HG23 THR A 66 16.003 -2.424 11.419 1.00 0.52 H new ATOM 991 N GLU A 67 15.303 0.378 7.767 1.00 0.30 N ATOM 992 CA GLU A 67 14.161 0.898 7.026 1.00 0.33 C ATOM 993 C GLU A 67 13.893 0.072 5.774 1.00 0.30 C ATOM 994 O GLU A 67 12.754 -0.317 5.511 1.00 0.33 O ATOM 995 CB GLU A 67 14.390 2.362 6.650 1.00 0.36 C ATOM 996 CG GLU A 67 14.494 3.285 7.854 1.00 0.42 C ATOM 997 CD GLU A 67 14.505 4.750 7.467 1.00 0.93 C ATOM 998 OE1 GLU A 67 13.412 5.319 7.265 1.00 1.22 O ATOM 999 OE2 GLU A 67 15.607 5.329 7.362 1.00 1.70 O ATOM 0 H GLU A 67 16.060 1.048 7.901 1.00 0.30 H new ATOM 0 HA GLU A 67 13.286 0.830 7.672 1.00 0.33 H new ATOM 0 HB2 GLU A 67 15.304 2.440 6.062 1.00 0.36 H new ATOM 0 HB3 GLU A 67 13.572 2.698 6.013 1.00 0.36 H new ATOM 0 HG2 GLU A 67 13.656 3.097 8.525 1.00 0.42 H new ATOM 0 HG3 GLU A 67 15.404 3.053 8.408 1.00 0.42 H new ATOM 1006 N PHE A 68 14.943 -0.200 5.006 1.00 0.27 N ATOM 1007 CA PHE A 68 14.798 -0.983 3.787 1.00 0.26 C ATOM 1008 C PHE A 68 14.393 -2.414 4.119 1.00 0.27 C ATOM 1009 O PHE A 68 13.429 -2.934 3.563 1.00 0.31 O ATOM 1010 CB PHE A 68 16.094 -0.976 2.971 1.00 0.26 C ATOM 1011 CG PHE A 68 15.930 -1.559 1.594 1.00 0.27 C ATOM 1012 CD1 PHE A 68 14.917 -1.126 0.749 1.00 0.38 C ATOM 1013 CD2 PHE A 68 16.797 -2.541 1.141 1.00 0.35 C ATOM 1014 CE1 PHE A 68 14.779 -1.661 -0.515 1.00 0.44 C ATOM 1015 CE2 PHE A 68 16.659 -3.073 -0.120 1.00 0.37 C ATOM 1016 CZ PHE A 68 15.602 -2.636 -0.942 1.00 0.37 C ATOM 0 H PHE A 68 15.895 0.108 5.205 1.00 0.27 H new ATOM 0 HA PHE A 68 14.013 -0.525 3.184 1.00 0.26 H new ATOM 0 HB2 PHE A 68 16.456 0.049 2.884 1.00 0.26 H new ATOM 0 HB3 PHE A 68 16.857 -1.539 3.508 1.00 0.26 H new ATOM 0 HD1 PHE A 68 14.230 -0.363 1.085 1.00 0.38 H new ATOM 0 HD2 PHE A 68 17.590 -2.892 1.785 1.00 0.35 H new ATOM 0 HE1 PHE A 68 14.002 -1.293 -1.169 1.00 0.44 H new ATOM 0 HE2 PHE A 68 17.354 -3.819 -0.476 1.00 0.37 H new ATOM 0 HZ PHE A 68 15.452 -3.083 -1.914 1.00 0.37 H new ATOM 1026 N CYS A 69 15.129 -3.045 5.033 1.00 0.26 N ATOM 1027 CA CYS A 69 14.828 -4.412 5.439 1.00 0.28 C ATOM 1028 C CYS A 69 13.403 -4.497 5.965 1.00 0.29 C ATOM 1029 O CYS A 69 12.760 -5.544 5.894 1.00 0.34 O ATOM 1030 CB CYS A 69 15.807 -4.884 6.517 1.00 0.27 C ATOM 1031 SG CYS A 69 15.583 -6.607 7.017 1.00 0.49 S ATOM 0 H CYS A 69 15.934 -2.631 5.503 1.00 0.26 H new ATOM 0 HA CYS A 69 14.930 -5.060 4.568 1.00 0.28 H new ATOM 0 HB2 CYS A 69 16.825 -4.753 6.150 1.00 0.27 H new ATOM 0 HB3 CYS A 69 15.700 -4.246 7.394 1.00 0.27 H new ATOM 0 HG CYS A 69 14.353 -6.966 6.798 1.00 0.49 H new ATOM 1037 N GLY A 70 12.922 -3.378 6.498 1.00 0.31 N ATOM 1038 CA GLY A 70 11.573 -3.319 7.018 1.00 0.34 C ATOM 1039 C GLY A 70 10.555 -3.524 5.924 1.00 0.35 C ATOM 1040 O GLY A 70 9.674 -4.384 6.025 1.00 0.35 O ATOM 0 H GLY A 70 13.448 -2.508 6.578 1.00 0.31 H new ATOM 0 HA2 GLY A 70 11.443 -4.081 7.786 1.00 0.34 H new ATOM 0 HA3 GLY A 70 11.407 -2.354 7.496 1.00 0.34 H new ATOM 1044 N ILE A 71 10.684 -2.739 4.869 1.00 0.38 N ATOM 1045 CA ILE A 71 9.786 -2.845 3.739 1.00 0.41 C ATOM 1046 C ILE A 71 9.985 -4.167 3.033 1.00 0.41 C ATOM 1047 O ILE A 71 9.029 -4.786 2.566 1.00 0.45 O ATOM 1048 CB ILE A 71 10.018 -1.724 2.725 1.00 0.43 C ATOM 1049 CG1 ILE A 71 9.783 -0.368 3.390 1.00 0.46 C ATOM 1050 CG2 ILE A 71 9.108 -1.928 1.524 1.00 0.47 C ATOM 1051 CD1 ILE A 71 9.980 0.813 2.464 1.00 0.49 C ATOM 0 H ILE A 71 11.403 -2.022 4.774 1.00 0.38 H new ATOM 0 HA ILE A 71 8.772 -2.769 4.131 1.00 0.41 H new ATOM 0 HB ILE A 71 11.049 -1.747 2.373 1.00 0.43 H new ATOM 0 HG12 ILE A 71 8.768 -0.340 3.787 1.00 0.46 H new ATOM 0 HG13 ILE A 71 10.460 -0.269 4.238 1.00 0.46 H new ATOM 0 HG21 ILE A 71 9.274 -1.129 0.802 1.00 0.47 H new ATOM 0 HG22 ILE A 71 9.329 -2.889 1.059 1.00 0.47 H new ATOM 0 HG23 ILE A 71 8.068 -1.913 1.849 1.00 0.47 H new ATOM 0 HD11 ILE A 71 9.795 1.738 3.010 1.00 0.49 H new ATOM 0 HD12 ILE A 71 11.002 0.813 2.086 1.00 0.49 H new ATOM 0 HD13 ILE A 71 9.284 0.740 1.628 1.00 0.49 H new ATOM 1063 N MET A 72 11.235 -4.597 2.968 1.00 0.39 N ATOM 1064 CA MET A 72 11.565 -5.839 2.307 1.00 0.41 C ATOM 1065 C MET A 72 10.781 -6.946 2.963 1.00 0.42 C ATOM 1066 O MET A 72 10.174 -7.775 2.301 1.00 0.50 O ATOM 1067 CB MET A 72 13.063 -6.132 2.406 1.00 0.41 C ATOM 1068 CG MET A 72 13.931 -5.185 1.597 1.00 0.45 C ATOM 1069 SD MET A 72 13.733 -5.401 -0.183 1.00 0.78 S ATOM 1070 CE MET A 72 14.133 -7.137 -0.368 1.00 0.36 C ATOM 0 H MET A 72 12.033 -4.102 3.366 1.00 0.39 H new ATOM 0 HA MET A 72 11.310 -5.765 1.250 1.00 0.41 H new ATOM 0 HB2 MET A 72 13.365 -6.081 3.452 1.00 0.41 H new ATOM 0 HB3 MET A 72 13.246 -7.153 2.071 1.00 0.41 H new ATOM 0 HG2 MET A 72 13.685 -4.157 1.863 1.00 0.45 H new ATOM 0 HG3 MET A 72 14.976 -5.341 1.863 1.00 0.45 H new ATOM 0 HE1 MET A 72 14.800 -7.268 -1.220 1.00 0.36 H new ATOM 0 HE2 MET A 72 14.625 -7.495 0.536 1.00 0.36 H new ATOM 0 HE3 MET A 72 13.218 -7.706 -0.533 1.00 0.36 H new ATOM 1080 N ALA A 73 10.797 -6.918 4.285 1.00 0.41 N ATOM 1081 CA ALA A 73 10.084 -7.883 5.097 1.00 0.44 C ATOM 1082 C ALA A 73 8.622 -7.968 4.672 1.00 0.45 C ATOM 1083 O ALA A 73 8.083 -9.059 4.472 1.00 0.51 O ATOM 1084 CB ALA A 73 10.197 -7.473 6.553 1.00 0.46 C ATOM 0 H ALA A 73 11.308 -6.220 4.826 1.00 0.41 H new ATOM 0 HA ALA A 73 10.524 -8.871 4.962 1.00 0.44 H new ATOM 0 HB1 ALA A 73 9.664 -8.192 7.176 1.00 0.46 H new ATOM 0 HB2 ALA A 73 11.247 -7.449 6.844 1.00 0.46 H new ATOM 0 HB3 ALA A 73 9.761 -6.483 6.687 1.00 0.46 H new ATOM 1090 N LYS A 74 7.982 -6.808 4.540 1.00 0.42 N ATOM 1091 CA LYS A 74 6.584 -6.758 4.124 1.00 0.46 C ATOM 1092 C LYS A 74 6.403 -7.503 2.808 1.00 0.47 C ATOM 1093 O LYS A 74 5.581 -8.413 2.703 1.00 0.57 O ATOM 1094 CB LYS A 74 6.114 -5.311 3.955 1.00 0.50 C ATOM 1095 CG LYS A 74 6.735 -4.346 4.943 1.00 1.17 C ATOM 1096 CD LYS A 74 6.044 -2.995 4.923 1.00 1.08 C ATOM 1097 CE LYS A 74 6.099 -2.351 3.544 1.00 1.83 C ATOM 1098 NZ LYS A 74 5.416 -1.028 3.521 1.00 2.52 N ATOM 0 H LYS A 74 8.406 -5.897 4.714 1.00 0.42 H new ATOM 0 HA LYS A 74 5.985 -7.233 4.901 1.00 0.46 H new ATOM 0 HB2 LYS A 74 6.346 -4.979 2.943 1.00 0.50 H new ATOM 0 HB3 LYS A 74 5.030 -5.277 4.061 1.00 0.50 H new ATOM 0 HG2 LYS A 74 6.679 -4.768 5.947 1.00 1.17 H new ATOM 0 HG3 LYS A 74 7.792 -4.217 4.710 1.00 1.17 H new ATOM 0 HD2 LYS A 74 5.004 -3.114 5.227 1.00 1.08 H new ATOM 0 HD3 LYS A 74 6.515 -2.335 5.651 1.00 1.08 H new ATOM 0 HE2 LYS A 74 7.139 -2.228 3.242 1.00 1.83 H new ATOM 0 HE3 LYS A 74 5.632 -3.013 2.815 1.00 1.83 H new ATOM 0 HZ1 LYS A 74 5.476 -0.623 2.565 1.00 2.52 H new ATOM 0 HZ2 LYS A 74 4.417 -1.148 3.784 1.00 2.52 H new ATOM 0 HZ3 LYS A 74 5.877 -0.387 4.198 1.00 2.52 H new ATOM 1112 N GLN A 75 7.181 -7.102 1.807 1.00 0.45 N ATOM 1113 CA GLN A 75 7.120 -7.730 0.489 1.00 0.50 C ATOM 1114 C GLN A 75 7.452 -9.222 0.572 1.00 0.52 C ATOM 1115 O GLN A 75 6.933 -10.022 -0.207 1.00 0.67 O ATOM 1116 CB GLN A 75 8.088 -7.034 -0.474 1.00 0.50 C ATOM 1117 CG GLN A 75 8.118 -5.517 -0.332 1.00 0.76 C ATOM 1118 CD GLN A 75 6.982 -4.826 -1.063 1.00 0.66 C ATOM 1119 OE1 GLN A 75 5.901 -5.392 -1.233 1.00 1.60 O ATOM 1120 NE2 GLN A 75 7.223 -3.592 -1.498 1.00 0.86 N ATOM 0 H GLN A 75 7.861 -6.346 1.882 1.00 0.45 H new ATOM 0 HA GLN A 75 6.102 -7.626 0.114 1.00 0.50 H new ATOM 0 HB2 GLN A 75 9.092 -7.424 -0.309 1.00 0.50 H new ATOM 0 HB3 GLN A 75 7.812 -7.288 -1.497 1.00 0.50 H new ATOM 0 HG2 GLN A 75 8.073 -5.257 0.725 1.00 0.76 H new ATOM 0 HG3 GLN A 75 9.068 -5.142 -0.712 1.00 0.76 H new ATOM 0 HE21 GLN A 75 8.134 -3.162 -1.335 1.00 0.86 H new ATOM 0 HE22 GLN A 75 6.497 -3.076 -1.995 1.00 0.86 H new ATOM 1129 N MET A 76 8.318 -9.593 1.514 1.00 0.55 N ATOM 1130 CA MET A 76 8.706 -10.990 1.691 1.00 0.66 C ATOM 1131 C MET A 76 7.476 -11.836 1.975 1.00 0.71 C ATOM 1132 O MET A 76 7.366 -12.972 1.515 1.00 0.83 O ATOM 1133 CB MET A 76 9.708 -11.139 2.840 1.00 0.87 C ATOM 1134 CG MET A 76 11.068 -10.522 2.562 1.00 1.02 C ATOM 1135 SD MET A 76 12.205 -11.657 1.746 1.00 1.03 S ATOM 1136 CE MET A 76 13.694 -10.663 1.704 1.00 0.64 C ATOM 0 H MET A 76 8.763 -8.946 2.165 1.00 0.55 H new ATOM 0 HA MET A 76 9.181 -11.331 0.771 1.00 0.66 H new ATOM 0 HB2 MET A 76 9.289 -10.679 3.735 1.00 0.87 H new ATOM 0 HB3 MET A 76 9.840 -12.199 3.058 1.00 0.87 H new ATOM 0 HG2 MET A 76 10.938 -9.637 1.939 1.00 1.02 H new ATOM 0 HG3 MET A 76 11.508 -10.189 3.502 1.00 1.02 H new ATOM 0 HE1 MET A 76 14.263 -10.898 0.804 1.00 0.64 H new ATOM 0 HE2 MET A 76 13.426 -9.606 1.699 1.00 0.64 H new ATOM 0 HE3 MET A 76 14.301 -10.879 2.583 1.00 0.64 H new ATOM 1240 N GLU A 83 -4.105 -5.353 -1.430 1.00 7.37 N ATOM 1241 CA GLU A 83 -5.511 -5.705 -1.571 1.00 8.31 C ATOM 1242 C GLU A 83 -5.996 -6.444 -0.330 1.00 8.90 C ATOM 1243 O GLU A 83 -7.145 -6.294 0.085 1.00 9.79 O ATOM 1244 CB GLU A 83 -5.723 -6.571 -2.815 1.00 8.42 C ATOM 1245 CG GLU A 83 -5.381 -5.863 -4.115 1.00 8.14 C ATOM 1246 CD GLU A 83 -5.609 -6.736 -5.334 1.00 8.51 C ATOM 1247 OE1 GLU A 83 -4.697 -7.513 -5.686 1.00 8.45 O ATOM 1248 OE2 GLU A 83 -6.700 -6.643 -5.935 1.00 9.06 O ATOM 0 HA GLU A 83 -6.088 -4.787 -1.683 1.00 8.31 H new ATOM 0 HB2 GLU A 83 -5.113 -7.470 -2.730 1.00 8.42 H new ATOM 0 HB3 GLU A 83 -6.764 -6.894 -2.850 1.00 8.42 H new ATOM 0 HG2 GLU A 83 -5.985 -4.960 -4.202 1.00 8.14 H new ATOM 0 HG3 GLU A 83 -4.338 -5.548 -4.089 1.00 8.14 H new ATOM 1255 N GLU A 84 -5.107 -7.239 0.260 1.00 8.58 N ATOM 1256 CA GLU A 84 -5.438 -7.998 1.459 1.00 9.37 C ATOM 1257 C GLU A 84 -5.856 -7.062 2.587 1.00 9.77 C ATOM 1258 O GLU A 84 -6.771 -7.367 3.354 1.00 10.65 O ATOM 1259 CB GLU A 84 -4.243 -8.850 1.897 1.00 9.24 C ATOM 1260 CG GLU A 84 -4.499 -9.656 3.161 1.00 9.88 C ATOM 1261 CD GLU A 84 -5.643 -10.638 3.006 1.00 10.30 C ATOM 1262 OE1 GLU A 84 -6.806 -10.232 3.221 1.00 10.72 O ATOM 1263 OE2 GLU A 84 -5.378 -11.812 2.671 1.00 10.41 O ATOM 0 H GLU A 84 -4.153 -7.373 -0.074 1.00 8.58 H new ATOM 0 HA GLU A 84 -6.274 -8.658 1.227 1.00 9.37 H new ATOM 0 HB2 GLU A 84 -3.978 -9.532 1.089 1.00 9.24 H new ATOM 0 HB3 GLU A 84 -3.384 -8.199 2.059 1.00 9.24 H new ATOM 0 HG2 GLU A 84 -3.593 -10.199 3.431 1.00 9.88 H new ATOM 0 HG3 GLU A 84 -4.719 -8.975 3.983 1.00 9.88 H new ATOM 1270 N MET A 85 -5.184 -5.915 2.682 1.00 9.28 N ATOM 1271 CA MET A 85 -5.501 -4.939 3.714 1.00 9.90 C ATOM 1272 C MET A 85 -6.869 -4.335 3.450 1.00 10.59 C ATOM 1273 O MET A 85 -7.631 -4.067 4.380 1.00 11.45 O ATOM 1274 CB MET A 85 -4.443 -3.837 3.774 1.00 9.48 C ATOM 1275 CG MET A 85 -3.050 -4.350 4.083 1.00 8.93 C ATOM 1276 SD MET A 85 -2.097 -3.215 5.112 1.00 8.96 S ATOM 1277 CE MET A 85 -2.231 -1.697 4.172 1.00 9.60 C ATOM 0 H MET A 85 -4.423 -5.644 2.060 1.00 9.28 H new ATOM 0 HA MET A 85 -5.511 -5.450 4.677 1.00 9.90 H new ATOM 0 HB2 MET A 85 -4.424 -3.311 2.820 1.00 9.48 H new ATOM 0 HB3 MET A 85 -4.730 -3.110 4.533 1.00 9.48 H new ATOM 0 HG2 MET A 85 -3.126 -5.313 4.588 1.00 8.93 H new ATOM 0 HG3 MET A 85 -2.516 -4.521 3.149 1.00 8.93 H new ATOM 0 HE1 MET A 85 -1.270 -1.183 4.172 1.00 9.60 H new ATOM 0 HE2 MET A 85 -2.518 -1.928 3.146 1.00 9.60 H new ATOM 0 HE3 MET A 85 -2.986 -1.054 4.624 1.00 9.60 H new ATOM 1287 N ARG A 86 -7.175 -4.116 2.173 1.00 10.35 N ATOM 1288 CA ARG A 86 -8.467 -3.562 1.794 1.00 11.19 C ATOM 1289 C ARG A 86 -9.585 -4.451 2.326 1.00 11.96 C ATOM 1290 O ARG A 86 -10.551 -3.967 2.917 1.00 12.88 O ATOM 1291 CB ARG A 86 -8.578 -3.435 0.274 1.00 10.99 C ATOM 1292 CG ARG A 86 -9.653 -2.459 -0.169 1.00 11.99 C ATOM 1293 CD ARG A 86 -9.983 -2.624 -1.644 1.00 12.13 C ATOM 1294 NE ARG A 86 -10.990 -1.663 -2.090 1.00 12.84 N ATOM 1295 CZ ARG A 86 -11.483 -1.630 -3.324 1.00 13.32 C ATOM 1296 NH1 ARG A 86 -11.069 -2.503 -4.231 1.00 13.18 N ATOM 1297 NH2 ARG A 86 -12.395 -0.724 -3.651 1.00 14.09 N ATOM 0 H ARG A 86 -6.550 -4.313 1.391 1.00 10.35 H new ATOM 0 HA ARG A 86 -8.559 -2.567 2.229 1.00 11.19 H new ATOM 0 HB2 ARG A 86 -7.617 -3.114 -0.128 1.00 10.99 H new ATOM 0 HB3 ARG A 86 -8.790 -4.416 -0.151 1.00 10.99 H new ATOM 0 HG2 ARG A 86 -10.553 -2.613 0.426 1.00 11.99 H new ATOM 0 HG3 ARG A 86 -9.319 -1.439 0.018 1.00 11.99 H new ATOM 0 HD2 ARG A 86 -9.076 -2.499 -2.235 1.00 12.13 H new ATOM 0 HD3 ARG A 86 -10.343 -3.637 -1.824 1.00 12.13 H new ATOM 0 HE ARG A 86 -11.334 -0.979 -1.416 1.00 12.84 H new ATOM 0 HH11 ARG A 86 -10.370 -3.203 -3.983 1.00 13.18 H new ATOM 0 HH12 ARG A 86 -11.449 -2.475 -5.177 1.00 13.18 H new ATOM 0 HH21 ARG A 86 -12.719 -0.052 -2.955 1.00 14.09 H new ATOM 0 HH22 ARG A 86 -12.773 -0.699 -4.598 1.00 14.09 H new ATOM 1311 N GLU A 87 -9.442 -5.758 2.114 1.00 11.71 N ATOM 1312 CA GLU A 87 -10.429 -6.719 2.589 1.00 12.58 C ATOM 1313 C GLU A 87 -10.588 -6.606 4.099 1.00 13.20 C ATOM 1314 O GLU A 87 -11.694 -6.720 4.629 1.00 14.14 O ATOM 1315 CB GLU A 87 -10.024 -8.144 2.207 1.00 12.36 C ATOM 1316 CG GLU A 87 -10.458 -8.548 0.806 1.00 12.89 C ATOM 1317 CD GLU A 87 -9.876 -7.652 -0.270 1.00 13.23 C ATOM 1318 OE1 GLU A 87 -10.430 -6.556 -0.496 1.00 13.47 O ATOM 1319 OE2 GLU A 87 -8.867 -8.050 -0.891 1.00 13.40 O ATOM 0 H GLU A 87 -8.653 -6.173 1.617 1.00 11.71 H new ATOM 0 HA GLU A 87 -11.384 -6.494 2.115 1.00 12.58 H new ATOM 0 HB2 GLU A 87 -8.941 -8.237 2.283 1.00 12.36 H new ATOM 0 HB3 GLU A 87 -10.455 -8.840 2.926 1.00 12.36 H new ATOM 0 HG2 GLU A 87 -10.154 -9.578 0.619 1.00 12.89 H new ATOM 0 HG3 GLU A 87 -11.546 -8.521 0.746 1.00 12.89 H new ATOM 1326 N ALA A 88 -9.471 -6.384 4.789 1.00 12.78 N ATOM 1327 CA ALA A 88 -9.487 -6.240 6.239 1.00 13.49 C ATOM 1328 C ALA A 88 -10.383 -5.077 6.646 1.00 14.13 C ATOM 1329 O ALA A 88 -11.089 -5.144 7.653 1.00 15.06 O ATOM 1330 CB ALA A 88 -8.077 -6.041 6.770 1.00 13.06 C ATOM 0 H ALA A 88 -8.546 -6.300 4.366 1.00 12.78 H new ATOM 0 HA ALA A 88 -9.890 -7.154 6.674 1.00 13.49 H new ATOM 0 HB1 ALA A 88 -8.108 -5.935 7.854 1.00 13.06 H new ATOM 0 HB2 ALA A 88 -7.464 -6.903 6.507 1.00 13.06 H new ATOM 0 HB3 ALA A 88 -7.646 -5.142 6.330 1.00 13.06 H new ATOM 1336 N PHE A 89 -10.345 -4.007 5.854 1.00 13.73 N ATOM 1337 CA PHE A 89 -11.165 -2.829 6.114 1.00 14.46 C ATOM 1338 C PHE A 89 -12.644 -3.201 6.083 1.00 15.32 C ATOM 1339 O PHE A 89 -13.411 -2.817 6.967 1.00 16.24 O ATOM 1340 CB PHE A 89 -10.865 -1.736 5.081 1.00 14.00 C ATOM 1341 CG PHE A 89 -11.871 -0.619 5.058 1.00 14.89 C ATOM 1342 CD1 PHE A 89 -11.950 0.277 6.112 1.00 15.30 C ATOM 1343 CD2 PHE A 89 -12.736 -0.463 3.986 1.00 15.46 C ATOM 1344 CE1 PHE A 89 -12.870 1.306 6.100 1.00 16.22 C ATOM 1345 CE2 PHE A 89 -13.660 0.565 3.968 1.00 16.38 C ATOM 1346 CZ PHE A 89 -13.738 1.440 5.000 1.00 16.75 C ATOM 0 H PHE A 89 -9.754 -3.933 5.026 1.00 13.73 H new ATOM 0 HA PHE A 89 -10.924 -2.444 7.105 1.00 14.46 H new ATOM 0 HB2 PHE A 89 -9.879 -1.318 5.286 1.00 14.00 H new ATOM 0 HB3 PHE A 89 -10.819 -2.190 4.091 1.00 14.00 H new ATOM 0 HD1 PHE A 89 -11.283 0.169 6.954 1.00 15.30 H new ATOM 0 HD2 PHE A 89 -12.687 -1.152 3.156 1.00 15.46 H new ATOM 0 HE1 PHE A 89 -12.923 2.001 6.925 1.00 16.22 H new ATOM 0 HE2 PHE A 89 -14.326 0.672 3.124 1.00 16.38 H new ATOM 0 HZ PHE A 89 -14.465 2.239 4.978 1.00 16.75 H new ATOM 1356 N LYS A 90 -13.035 -3.948 5.053 1.00 15.11 N ATOM 1357 CA LYS A 90 -14.413 -4.396 4.902 1.00 16.01 C ATOM 1358 C LYS A 90 -14.890 -5.133 6.149 1.00 16.75 C ATOM 1359 O LYS A 90 -16.014 -4.936 6.610 1.00 17.70 O ATOM 1360 CB LYS A 90 -14.511 -5.316 3.692 1.00 15.74 C ATOM 1361 CG LYS A 90 -14.550 -4.585 2.359 1.00 15.19 C ATOM 1362 CD LYS A 90 -13.620 -3.387 2.315 1.00 15.14 C ATOM 1363 CE LYS A 90 -13.404 -2.902 0.890 1.00 14.45 C ATOM 1364 NZ LYS A 90 -12.601 -1.650 0.846 1.00 14.90 N ATOM 0 H LYS A 90 -12.411 -4.256 4.307 1.00 15.11 H new ATOM 0 HA LYS A 90 -15.050 -3.523 4.760 1.00 16.01 H new ATOM 0 HB2 LYS A 90 -13.660 -5.997 3.696 1.00 15.74 H new ATOM 0 HB3 LYS A 90 -15.408 -5.928 3.785 1.00 15.74 H new ATOM 0 HG2 LYS A 90 -14.279 -5.278 1.562 1.00 15.19 H new ATOM 0 HG3 LYS A 90 -15.570 -4.254 2.161 1.00 15.19 H new ATOM 0 HD2 LYS A 90 -14.037 -2.579 2.916 1.00 15.14 H new ATOM 0 HD3 LYS A 90 -12.661 -3.653 2.759 1.00 15.14 H new ATOM 0 HE2 LYS A 90 -12.899 -3.678 0.315 1.00 14.45 H new ATOM 0 HE3 LYS A 90 -14.370 -2.731 0.414 1.00 14.45 H new ATOM 0 HZ1 LYS A 90 -12.219 -1.516 -0.112 1.00 14.90 H new ATOM 0 HZ2 LYS A 90 -13.206 -0.841 1.094 1.00 14.90 H new ATOM 0 HZ3 LYS A 90 -11.817 -1.717 1.526 1.00 14.90 H new ATOM 1378 N ILE A 91 -14.021 -5.984 6.685 1.00 16.40 N ATOM 1379 CA ILE A 91 -14.339 -6.766 7.874 1.00 17.17 C ATOM 1380 C ILE A 91 -14.686 -5.866 9.057 1.00 17.84 C ATOM 1381 O ILE A 91 -15.711 -6.056 9.712 1.00 18.78 O ATOM 1382 CB ILE A 91 -13.166 -7.686 8.265 1.00 16.77 C ATOM 1383 CG1 ILE A 91 -12.799 -8.604 7.095 1.00 16.16 C ATOM 1384 CG2 ILE A 91 -13.518 -8.505 9.499 1.00 17.75 C ATOM 1385 CD1 ILE A 91 -11.532 -9.401 7.318 1.00 16.20 C ATOM 0 H ILE A 91 -13.086 -6.150 6.312 1.00 16.40 H new ATOM 0 HA ILE A 91 -15.207 -7.377 7.628 1.00 17.17 H new ATOM 0 HB ILE A 91 -12.302 -7.066 8.503 1.00 16.77 H new ATOM 0 HG12 ILE A 91 -13.624 -9.293 6.914 1.00 16.16 H new ATOM 0 HG13 ILE A 91 -12.684 -8.001 6.194 1.00 16.16 H new ATOM 0 HG21 ILE A 91 -12.678 -9.149 9.760 1.00 17.75 H new ATOM 0 HG22 ILE A 91 -13.734 -7.835 10.331 1.00 17.75 H new ATOM 0 HG23 ILE A 91 -14.394 -9.119 9.291 1.00 17.75 H new ATOM 0 HD11 ILE A 91 -11.338 -10.027 6.447 1.00 16.20 H new ATOM 0 HD12 ILE A 91 -10.695 -8.719 7.469 1.00 16.20 H new ATOM 0 HD13 ILE A 91 -11.649 -10.032 8.199 1.00 16.20 H new ATOM 1397 N PHE A 92 -13.827 -4.887 9.326 1.00 17.43 N ATOM 1398 CA PHE A 92 -14.048 -3.963 10.433 1.00 18.14 C ATOM 1399 C PHE A 92 -15.199 -3.007 10.134 1.00 18.80 C ATOM 1400 O PHE A 92 -15.708 -2.336 11.032 1.00 19.63 O ATOM 1401 CB PHE A 92 -12.769 -3.186 10.748 1.00 17.63 C ATOM 1402 CG PHE A 92 -11.753 -4.005 11.493 1.00 17.41 C ATOM 1403 CD1 PHE A 92 -11.900 -4.242 12.850 1.00 17.64 C ATOM 1404 CD2 PHE A 92 -10.660 -4.547 10.835 1.00 17.12 C ATOM 1405 CE1 PHE A 92 -10.975 -5.003 13.537 1.00 17.60 C ATOM 1406 CE2 PHE A 92 -9.730 -5.307 11.520 1.00 17.07 C ATOM 1407 CZ PHE A 92 -9.889 -5.534 12.872 1.00 17.34 C ATOM 0 H PHE A 92 -12.974 -4.714 8.794 1.00 17.43 H new ATOM 0 HA PHE A 92 -14.321 -4.550 11.310 1.00 18.14 H new ATOM 0 HB2 PHE A 92 -12.328 -2.830 9.817 1.00 17.63 H new ATOM 0 HB3 PHE A 92 -13.022 -2.305 11.339 1.00 17.63 H new ATOM 0 HD1 PHE A 92 -12.747 -3.827 13.376 1.00 17.64 H new ATOM 0 HD2 PHE A 92 -10.534 -4.374 9.776 1.00 17.12 H new ATOM 0 HE1 PHE A 92 -11.102 -5.182 14.594 1.00 17.60 H new ATOM 0 HE2 PHE A 92 -8.881 -5.722 10.998 1.00 17.07 H new ATOM 0 HZ PHE A 92 -9.164 -6.127 13.409 1.00 17.34 H new ATOM 1417 N ASP A 93 -15.604 -2.947 8.868 1.00 18.51 N ATOM 1418 CA ASP A 93 -16.704 -2.079 8.463 1.00 19.23 C ATOM 1419 C ASP A 93 -18.003 -2.873 8.375 1.00 19.92 C ATOM 1420 O ASP A 93 -18.292 -3.498 7.354 1.00 19.65 O ATOM 1421 CB ASP A 93 -16.399 -1.419 7.116 1.00 18.69 C ATOM 1422 CG ASP A 93 -17.288 -0.218 6.844 1.00 19.57 C ATOM 1423 OD1 ASP A 93 -18.229 0.020 7.632 1.00 20.02 O ATOM 1424 OD2 ASP A 93 -17.040 0.487 5.842 1.00 19.89 O ATOM 0 H ASP A 93 -15.189 -3.487 8.109 1.00 18.51 H new ATOM 0 HA ASP A 93 -16.820 -1.299 9.215 1.00 19.23 H new ATOM 0 HB2 ASP A 93 -15.355 -1.106 7.096 1.00 18.69 H new ATOM 0 HB3 ASP A 93 -16.528 -2.151 6.319 1.00 18.69 H new ATOM 1429 N ARG A 94 -18.779 -2.846 9.454 1.00 20.90 N ATOM 1430 CA ARG A 94 -20.046 -3.569 9.509 1.00 21.70 C ATOM 1431 C ARG A 94 -20.962 -3.170 8.354 1.00 22.13 C ATOM 1432 O ARG A 94 -21.727 -3.991 7.848 1.00 22.63 O ATOM 1433 CB ARG A 94 -20.752 -3.303 10.841 1.00 22.67 C ATOM 1434 CG ARG A 94 -19.875 -3.523 12.065 1.00 22.53 C ATOM 1435 CD ARG A 94 -19.502 -4.986 12.248 1.00 22.13 C ATOM 1436 NE ARG A 94 -20.623 -5.880 11.971 1.00 22.41 N ATOM 1437 CZ ARG A 94 -20.482 -7.163 11.650 1.00 22.68 C ATOM 1438 NH1 ARG A 94 -19.271 -7.699 11.567 1.00 22.72 N ATOM 1439 NH2 ARG A 94 -21.550 -7.912 11.412 1.00 23.01 N ATOM 0 H ARG A 94 -18.552 -2.330 10.304 1.00 20.90 H new ATOM 0 HA ARG A 94 -19.825 -4.633 9.422 1.00 21.70 H new ATOM 0 HB2 ARG A 94 -21.116 -2.275 10.848 1.00 22.67 H new ATOM 0 HB3 ARG A 94 -21.626 -3.951 10.912 1.00 22.67 H new ATOM 0 HG2 ARG A 94 -18.967 -2.927 11.971 1.00 22.53 H new ATOM 0 HG3 ARG A 94 -20.398 -3.169 12.953 1.00 22.53 H new ATOM 0 HD2 ARG A 94 -18.671 -5.233 11.587 1.00 22.13 H new ATOM 0 HD3 ARG A 94 -19.156 -5.146 13.269 1.00 22.13 H new ATOM 0 HE ARG A 94 -21.568 -5.499 12.027 1.00 22.41 H new ATOM 0 HH11 ARG A 94 -18.446 -7.127 11.750 1.00 22.72 H new ATOM 0 HH12 ARG A 94 -19.165 -8.683 11.321 1.00 22.72 H new ATOM 0 HH21 ARG A 94 -22.483 -7.505 11.475 1.00 23.01 H new ATOM 0 HH22 ARG A 94 -21.439 -8.896 11.166 1.00 23.01 H new ATOM 1453 N ASP A 95 -20.879 -1.906 7.942 1.00 22.06 N ATOM 1454 CA ASP A 95 -21.707 -1.403 6.849 1.00 22.57 C ATOM 1455 C ASP A 95 -20.889 -1.235 5.572 1.00 21.80 C ATOM 1456 O ASP A 95 -19.661 -1.309 5.594 1.00 20.81 O ATOM 1457 CB ASP A 95 -22.334 -0.060 7.229 1.00 23.28 C ATOM 1458 CG ASP A 95 -22.658 0.035 8.705 1.00 23.89 C ATOM 1459 OD1 ASP A 95 -23.495 -0.758 9.183 1.00 24.00 O ATOM 1460 OD2 ASP A 95 -22.073 0.907 9.382 1.00 24.34 O ATOM 0 H ASP A 95 -20.249 -1.214 8.347 1.00 22.06 H new ATOM 0 HA ASP A 95 -22.495 -2.134 6.667 1.00 22.57 H new ATOM 0 HB2 ASP A 95 -21.651 0.745 6.958 1.00 23.28 H new ATOM 0 HB3 ASP A 95 -23.246 0.088 6.650 1.00 23.28 H new ATOM 1465 N GLY A 96 -21.587 -1.015 4.461 1.00 22.31 N ATOM 1466 CA GLY A 96 -20.921 -0.828 3.185 1.00 21.77 C ATOM 1467 C GLY A 96 -20.833 0.633 2.789 1.00 21.93 C ATOM 1468 O GLY A 96 -20.392 0.957 1.685 1.00 21.68 O ATOM 0 H GLY A 96 -22.605 -0.963 4.423 1.00 22.31 H new ATOM 0 HA2 GLY A 96 -19.917 -1.249 3.237 1.00 21.77 H new ATOM 0 HA3 GLY A 96 -21.458 -1.379 2.413 1.00 21.77 H new ATOM 1472 N ASP A 97 -21.261 1.515 3.690 1.00 22.44 N ATOM 1473 CA ASP A 97 -21.241 2.953 3.434 1.00 22.79 C ATOM 1474 C ASP A 97 -19.863 3.411 2.958 1.00 21.82 C ATOM 1475 O ASP A 97 -19.753 4.199 2.019 1.00 22.02 O ATOM 1476 CB ASP A 97 -21.648 3.723 4.693 1.00 23.40 C ATOM 1477 CG ASP A 97 -20.618 3.615 5.801 1.00 22.73 C ATOM 1478 OD1 ASP A 97 -20.523 2.535 6.421 1.00 22.66 O ATOM 1479 OD2 ASP A 97 -19.908 4.612 6.049 1.00 22.35 O ATOM 0 H ASP A 97 -21.627 1.257 4.607 1.00 22.44 H new ATOM 0 HA ASP A 97 -21.959 3.163 2.642 1.00 22.79 H new ATOM 0 HB2 ASP A 97 -21.796 4.773 4.440 1.00 23.40 H new ATOM 0 HB3 ASP A 97 -22.605 3.344 5.053 1.00 23.40 H new ATOM 1484 N GLY A 98 -18.818 2.914 3.612 1.00 20.85 N ATOM 1485 CA GLY A 98 -17.464 3.280 3.233 1.00 19.90 C ATOM 1486 C GLY A 98 -16.630 3.768 4.401 1.00 19.67 C ATOM 1487 O GLY A 98 -15.453 4.087 4.234 1.00 18.98 O ATOM 0 H GLY A 98 -18.883 2.265 4.396 1.00 20.85 H new ATOM 0 HA2 GLY A 98 -16.974 2.418 2.780 1.00 19.90 H new ATOM 0 HA3 GLY A 98 -17.504 4.060 2.472 1.00 19.90 H new ATOM 1491 N PHE A 99 -17.233 3.832 5.586 1.00 20.36 N ATOM 1492 CA PHE A 99 -16.517 4.285 6.774 1.00 20.37 C ATOM 1493 C PHE A 99 -16.885 3.440 7.993 1.00 20.60 C ATOM 1494 O PHE A 99 -17.959 2.838 8.045 1.00 21.08 O ATOM 1495 CB PHE A 99 -16.796 5.765 7.053 1.00 21.34 C ATOM 1496 CG PHE A 99 -16.720 6.639 5.833 1.00 21.51 C ATOM 1497 CD1 PHE A 99 -15.496 7.088 5.360 1.00 21.38 C ATOM 1498 CD2 PHE A 99 -17.871 7.009 5.158 1.00 21.92 C ATOM 1499 CE1 PHE A 99 -15.424 7.890 4.236 1.00 21.65 C ATOM 1500 CE2 PHE A 99 -17.806 7.812 4.035 1.00 22.21 C ATOM 1501 CZ PHE A 99 -16.574 8.260 3.579 1.00 22.08 C ATOM 0 H PHE A 99 -18.208 3.578 5.748 1.00 20.36 H new ATOM 0 HA PHE A 99 -15.451 4.165 6.581 1.00 20.37 H new ATOM 0 HB2 PHE A 99 -17.788 5.861 7.495 1.00 21.34 H new ATOM 0 HB3 PHE A 99 -16.081 6.126 7.792 1.00 21.34 H new ATOM 0 HD1 PHE A 99 -14.589 6.808 5.875 1.00 21.38 H new ATOM 0 HD2 PHE A 99 -18.831 6.666 5.513 1.00 21.92 H new ATOM 0 HE1 PHE A 99 -14.464 8.226 3.874 1.00 21.65 H new ATOM 0 HE2 PHE A 99 -18.710 8.090 3.514 1.00 22.21 H new ATOM 0 HZ PHE A 99 -16.519 8.898 2.710 1.00 22.08 H new ATOM 1511 N ILE A 100 -15.982 3.402 8.973 1.00 20.36 N ATOM 1512 CA ILE A 100 -16.197 2.622 10.190 1.00 20.66 C ATOM 1513 C ILE A 100 -16.318 3.516 11.420 1.00 21.62 C ATOM 1514 O ILE A 100 -15.605 4.509 11.551 1.00 21.77 O ATOM 1515 CB ILE A 100 -15.042 1.629 10.421 1.00 19.72 C ATOM 1516 CG1 ILE A 100 -14.786 0.811 9.155 1.00 18.71 C ATOM 1517 CG2 ILE A 100 -15.355 0.714 11.597 1.00 20.15 C ATOM 1518 CD1 ILE A 100 -13.564 -0.078 9.242 1.00 17.74 C ATOM 0 H ILE A 100 -15.094 3.903 8.947 1.00 20.36 H new ATOM 0 HA ILE A 100 -17.131 2.079 10.049 1.00 20.66 H new ATOM 0 HB ILE A 100 -14.139 2.192 10.657 1.00 19.72 H new ATOM 0 HG12 ILE A 100 -15.660 0.193 8.949 1.00 18.71 H new ATOM 0 HG13 ILE A 100 -14.671 1.491 8.311 1.00 18.71 H new ATOM 0 HG21 ILE A 100 -14.529 0.019 11.747 1.00 20.15 H new ATOM 0 HG22 ILE A 100 -15.493 1.313 12.497 1.00 20.15 H new ATOM 0 HG23 ILE A 100 -16.267 0.155 11.390 1.00 20.15 H new ATOM 0 HD11 ILE A 100 -13.446 -0.627 8.308 1.00 17.74 H new ATOM 0 HD12 ILE A 100 -12.680 0.535 9.416 1.00 17.74 H new ATOM 0 HD13 ILE A 100 -13.685 -0.783 10.065 1.00 17.74 H new ATOM 1530 N SER A 101 -17.220 3.146 12.325 1.00 22.35 N ATOM 1531 CA SER A 101 -17.437 3.902 13.556 1.00 23.35 C ATOM 1532 C SER A 101 -17.045 3.067 14.772 1.00 23.43 C ATOM 1533 O SER A 101 -17.033 1.841 14.697 1.00 22.96 O ATOM 1534 CB SER A 101 -18.900 4.332 13.669 1.00 24.38 C ATOM 1535 OG SER A 101 -19.771 3.227 13.500 1.00 24.61 O ATOM 0 H SER A 101 -17.815 2.323 12.228 1.00 22.35 H new ATOM 0 HA SER A 101 -16.810 4.793 13.524 1.00 23.35 H new ATOM 0 HB2 SER A 101 -19.073 4.790 14.643 1.00 24.38 H new ATOM 0 HB3 SER A 101 -19.119 5.090 12.917 1.00 24.38 H new ATOM 0 HG SER A 101 -19.721 2.910 12.574 1.00 24.61 H new ATOM 1541 N PRO A 102 -16.707 3.711 15.905 1.00 24.11 N ATOM 1542 CA PRO A 102 -16.316 2.998 17.126 1.00 24.36 C ATOM 1543 C PRO A 102 -17.228 1.813 17.431 1.00 24.64 C ATOM 1544 O PRO A 102 -16.766 0.764 17.874 1.00 24.44 O ATOM 1545 CB PRO A 102 -16.445 4.068 18.204 1.00 25.42 C ATOM 1546 CG PRO A 102 -16.159 5.347 17.496 1.00 25.38 C ATOM 1547 CD PRO A 102 -16.675 5.177 16.090 1.00 24.81 C ATOM 0 HA PRO A 102 -15.319 2.565 17.047 1.00 24.36 H new ATOM 0 HB2 PRO A 102 -17.443 4.072 18.642 1.00 25.42 H new ATOM 0 HB3 PRO A 102 -15.740 3.899 19.018 1.00 25.42 H new ATOM 0 HG2 PRO A 102 -16.650 6.184 17.992 1.00 25.38 H new ATOM 0 HG3 PRO A 102 -15.090 5.560 17.495 1.00 25.38 H new ATOM 0 HD2 PRO A 102 -17.665 5.618 15.970 1.00 24.81 H new ATOM 0 HD3 PRO A 102 -16.022 5.659 15.362 1.00 24.81 H new ATOM 1555 N ALA A 103 -18.521 1.987 17.187 1.00 25.18 N ATOM 1556 CA ALA A 103 -19.501 0.931 17.431 1.00 25.58 C ATOM 1557 C ALA A 103 -19.215 -0.295 16.572 1.00 24.70 C ATOM 1558 O ALA A 103 -19.341 -1.435 17.023 1.00 24.78 O ATOM 1559 CB ALA A 103 -20.898 1.448 17.138 1.00 26.36 C ATOM 0 H ALA A 103 -18.918 2.851 16.819 1.00 25.18 H new ATOM 0 HA ALA A 103 -19.431 0.637 18.478 1.00 25.58 H new ATOM 0 HB1 ALA A 103 -21.625 0.657 17.322 1.00 26.36 H new ATOM 0 HB2 ALA A 103 -21.115 2.297 17.786 1.00 26.36 H new ATOM 0 HB3 ALA A 103 -20.959 1.762 16.096 1.00 26.36 H new ATOM 1565 N GLU A 104 -18.818 -0.042 15.333 1.00 23.94 N ATOM 1566 CA GLU A 104 -18.521 -1.101 14.382 1.00 23.10 C ATOM 1567 C GLU A 104 -17.163 -1.704 14.684 1.00 22.34 C ATOM 1568 O GLU A 104 -17.024 -2.917 14.840 1.00 22.06 O ATOM 1569 CB GLU A 104 -18.533 -0.535 12.963 1.00 22.54 C ATOM 1570 CG GLU A 104 -19.901 -0.057 12.506 1.00 23.20 C ATOM 1571 CD GLU A 104 -19.884 0.469 11.086 1.00 22.77 C ATOM 1572 OE1 GLU A 104 -19.831 -0.355 10.149 1.00 22.70 O ATOM 1573 OE2 GLU A 104 -19.918 1.706 10.909 1.00 22.57 O ATOM 0 H GLU A 104 -18.693 0.899 14.961 1.00 23.94 H new ATOM 0 HA GLU A 104 -19.280 -1.879 14.466 1.00 23.10 H new ATOM 0 HB2 GLU A 104 -17.830 0.297 12.907 1.00 22.54 H new ATOM 0 HB3 GLU A 104 -18.177 -1.300 12.273 1.00 22.54 H new ATOM 0 HG2 GLU A 104 -20.613 -0.879 12.577 1.00 23.20 H new ATOM 0 HG3 GLU A 104 -20.252 0.727 13.177 1.00 23.20 H new ATOM 1580 N LEU A 105 -16.167 -0.833 14.761 1.00 22.13 N ATOM 1581 CA LEU A 105 -14.806 -1.235 15.061 1.00 21.50 C ATOM 1582 C LEU A 105 -14.787 -2.113 16.305 1.00 22.09 C ATOM 1583 O LEU A 105 -14.123 -3.144 16.343 1.00 21.66 O ATOM 1584 CB LEU A 105 -13.946 0.017 15.276 1.00 21.47 C ATOM 1585 CG LEU A 105 -12.470 -0.219 15.604 1.00 20.64 C ATOM 1586 CD1 LEU A 105 -12.299 -0.661 17.042 1.00 20.35 C ATOM 1587 CD2 LEU A 105 -11.848 -1.217 14.641 1.00 20.76 C ATOM 0 H LEU A 105 -16.282 0.170 14.617 1.00 22.13 H new ATOM 0 HA LEU A 105 -14.400 -1.809 14.228 1.00 21.50 H new ATOM 0 HB2 LEU A 105 -14.002 0.629 14.376 1.00 21.47 H new ATOM 0 HB3 LEU A 105 -14.387 0.599 16.085 1.00 21.47 H new ATOM 0 HG LEU A 105 -11.943 0.727 15.483 1.00 20.64 H new ATOM 0 HD11 LEU A 105 -11.241 -0.822 17.250 1.00 20.35 H new ATOM 0 HD12 LEU A 105 -12.686 0.110 17.708 1.00 20.35 H new ATOM 0 HD13 LEU A 105 -12.846 -1.590 17.205 1.00 20.35 H new ATOM 0 HD21 LEU A 105 -10.799 -1.365 14.898 1.00 20.76 H new ATOM 0 HD22 LEU A 105 -12.377 -2.168 14.711 1.00 20.76 H new ATOM 0 HD23 LEU A 105 -11.922 -0.835 13.623 1.00 20.76 H new ATOM 1599 N ARG A 106 -15.518 -1.679 17.321 1.00 23.15 N ATOM 1600 CA ARG A 106 -15.604 -2.400 18.583 1.00 23.87 C ATOM 1601 C ARG A 106 -16.127 -3.818 18.375 1.00 23.93 C ATOM 1602 O ARG A 106 -15.492 -4.791 18.781 1.00 24.00 O ATOM 1603 CB ARG A 106 -16.521 -1.635 19.541 1.00 25.01 C ATOM 1604 CG ARG A 106 -16.609 -2.225 20.939 1.00 25.84 C ATOM 1605 CD ARG A 106 -17.675 -3.306 21.029 1.00 26.70 C ATOM 1606 NE ARG A 106 -17.900 -3.743 22.404 1.00 27.44 N ATOM 1607 CZ ARG A 106 -18.909 -4.527 22.771 1.00 28.28 C ATOM 1608 NH1 ARG A 106 -19.788 -4.947 21.870 1.00 28.51 N ATOM 1609 NH2 ARG A 106 -19.043 -4.889 24.039 1.00 28.96 N ATOM 0 H ARG A 106 -16.067 -0.820 17.295 1.00 23.15 H new ATOM 0 HA ARG A 106 -14.604 -2.474 19.010 1.00 23.87 H new ATOM 0 HB2 ARG A 106 -16.169 -0.606 19.617 1.00 25.01 H new ATOM 0 HB3 ARG A 106 -17.523 -1.598 19.113 1.00 25.01 H new ATOM 0 HG2 ARG A 106 -15.642 -2.644 21.219 1.00 25.84 H new ATOM 0 HG3 ARG A 106 -16.832 -1.433 21.654 1.00 25.84 H new ATOM 0 HD2 ARG A 106 -18.609 -2.929 20.612 1.00 26.70 H new ATOM 0 HD3 ARG A 106 -17.376 -4.161 20.422 1.00 26.70 H new ATOM 0 HE ARG A 106 -17.247 -3.430 23.122 1.00 27.44 H new ATOM 0 HH11 ARG A 106 -19.690 -4.668 20.894 1.00 28.51 H new ATOM 0 HH12 ARG A 106 -20.561 -5.548 22.154 1.00 28.51 H new ATOM 0 HH21 ARG A 106 -18.371 -4.566 24.735 1.00 28.96 H new ATOM 0 HH22 ARG A 106 -19.818 -5.491 24.318 1.00 28.96 H new ATOM 1623 N PHE A 107 -17.291 -3.922 17.740 1.00 24.01 N ATOM 1624 CA PHE A 107 -17.922 -5.213 17.486 1.00 24.21 C ATOM 1625 C PHE A 107 -16.991 -6.176 16.749 1.00 23.32 C ATOM 1626 O PHE A 107 -16.947 -7.365 17.064 1.00 23.61 O ATOM 1627 CB PHE A 107 -19.207 -5.016 16.679 1.00 24.45 C ATOM 1628 CG PHE A 107 -20.008 -6.276 16.497 1.00 25.01 C ATOM 1629 CD1 PHE A 107 -20.936 -6.664 17.450 1.00 25.33 C ATOM 1630 CD2 PHE A 107 -19.835 -7.070 15.374 1.00 25.30 C ATOM 1631 CE1 PHE A 107 -21.675 -7.821 17.288 1.00 25.94 C ATOM 1632 CE2 PHE A 107 -20.570 -8.228 15.207 1.00 25.91 C ATOM 1633 CZ PHE A 107 -21.492 -8.604 16.165 1.00 26.22 C ATOM 0 H PHE A 107 -17.819 -3.122 17.390 1.00 24.01 H new ATOM 0 HA PHE A 107 -18.155 -5.657 18.454 1.00 24.21 H new ATOM 0 HB2 PHE A 107 -19.827 -4.271 17.177 1.00 24.45 H new ATOM 0 HB3 PHE A 107 -18.951 -4.614 15.699 1.00 24.45 H new ATOM 0 HD1 PHE A 107 -21.084 -6.055 18.330 1.00 25.33 H new ATOM 0 HD2 PHE A 107 -19.117 -6.780 14.621 1.00 25.30 H new ATOM 0 HE1 PHE A 107 -22.395 -8.112 18.039 1.00 25.94 H new ATOM 0 HE2 PHE A 107 -20.424 -8.839 14.328 1.00 25.91 H new ATOM 0 HZ PHE A 107 -22.068 -9.508 16.036 1.00 26.22 H new ATOM 1643 N VAL A 108 -16.243 -5.661 15.777 1.00 22.31 N ATOM 1644 CA VAL A 108 -15.343 -6.496 14.983 1.00 21.42 C ATOM 1645 C VAL A 108 -14.049 -6.835 15.725 1.00 21.31 C ATOM 1646 O VAL A 108 -13.639 -7.993 15.752 1.00 21.31 O ATOM 1647 CB VAL A 108 -15.001 -5.828 13.639 1.00 20.36 C ATOM 1648 CG1 VAL A 108 -14.196 -6.775 12.763 1.00 19.77 C ATOM 1649 CG2 VAL A 108 -16.271 -5.387 12.932 1.00 20.26 C ATOM 0 H VAL A 108 -16.241 -4.674 15.520 1.00 22.31 H new ATOM 0 HA VAL A 108 -15.880 -7.426 14.799 1.00 21.42 H new ATOM 0 HB VAL A 108 -14.392 -4.945 13.833 1.00 20.36 H new ATOM 0 HG11 VAL A 108 -13.963 -6.286 11.817 1.00 19.77 H new ATOM 0 HG12 VAL A 108 -13.269 -7.042 13.271 1.00 19.77 H new ATOM 0 HG13 VAL A 108 -14.778 -7.677 12.572 1.00 19.77 H new ATOM 0 HG21 VAL A 108 -16.014 -4.916 11.983 1.00 20.26 H new ATOM 0 HG22 VAL A 108 -16.905 -6.255 12.747 1.00 20.26 H new ATOM 0 HG23 VAL A 108 -16.807 -4.673 13.558 1.00 20.26 H new ATOM 1659 N MET A 109 -13.409 -5.829 16.321 1.00 21.33 N ATOM 1660 CA MET A 109 -12.163 -6.044 17.057 1.00 21.35 C ATOM 1661 C MET A 109 -12.303 -7.197 18.049 1.00 22.24 C ATOM 1662 O MET A 109 -11.308 -7.785 18.476 1.00 22.21 O ATOM 1663 CB MET A 109 -11.743 -4.767 17.786 1.00 21.65 C ATOM 1664 CG MET A 109 -11.106 -3.720 16.878 1.00 20.93 C ATOM 1665 SD MET A 109 -9.456 -4.194 16.322 1.00 20.76 S ATOM 1666 CE MET A 109 -8.566 -4.241 17.876 1.00 21.25 C ATOM 0 H MET A 109 -13.731 -4.861 16.309 1.00 21.33 H new ATOM 0 HA MET A 109 -11.389 -6.307 16.336 1.00 21.35 H new ATOM 0 HB2 MET A 109 -12.618 -4.331 18.269 1.00 21.65 H new ATOM 0 HB3 MET A 109 -11.038 -5.026 18.576 1.00 21.65 H new ATOM 0 HG2 MET A 109 -11.746 -3.560 16.010 1.00 20.93 H new ATOM 0 HG3 MET A 109 -11.047 -2.771 17.410 1.00 20.93 H new ATOM 0 HE1 MET A 109 -7.496 -4.165 17.685 1.00 21.25 H new ATOM 0 HE2 MET A 109 -8.883 -3.407 18.502 1.00 21.25 H new ATOM 0 HE3 MET A 109 -8.777 -5.180 18.388 1.00 21.25 H new ATOM 1676 N ILE A 110 -13.543 -7.518 18.409 1.00 23.11 N ATOM 1677 CA ILE A 110 -13.816 -8.608 19.338 1.00 24.06 C ATOM 1678 C ILE A 110 -13.881 -9.942 18.598 1.00 23.82 C ATOM 1679 O ILE A 110 -13.434 -10.970 19.109 1.00 24.33 O ATOM 1680 CB ILE A 110 -15.140 -8.381 20.096 1.00 25.05 C ATOM 1681 CG1 ILE A 110 -15.078 -7.075 20.892 1.00 25.40 C ATOM 1682 CG2 ILE A 110 -15.437 -9.558 21.015 1.00 26.06 C ATOM 1683 CD1 ILE A 110 -16.414 -6.649 21.461 1.00 26.28 C ATOM 0 H ILE A 110 -14.376 -7.037 18.070 1.00 23.11 H new ATOM 0 HA ILE A 110 -12.999 -8.632 20.059 1.00 24.06 H new ATOM 0 HB ILE A 110 -15.949 -8.304 19.369 1.00 25.05 H new ATOM 0 HG12 ILE A 110 -14.365 -7.190 21.708 1.00 25.40 H new ATOM 0 HG13 ILE A 110 -14.698 -6.283 20.246 1.00 25.40 H new ATOM 0 HG21 ILE A 110 -16.375 -9.381 21.542 1.00 26.06 H new ATOM 0 HG22 ILE A 110 -15.520 -10.470 20.423 1.00 26.06 H new ATOM 0 HG23 ILE A 110 -14.629 -9.667 21.739 1.00 26.06 H new ATOM 0 HD11 ILE A 110 -16.294 -5.716 22.012 1.00 26.28 H new ATOM 0 HD12 ILE A 110 -17.125 -6.501 20.648 1.00 26.28 H new ATOM 0 HD13 ILE A 110 -16.786 -7.422 22.133 1.00 26.28 H new ATOM 1695 N ASN A 111 -14.444 -9.915 17.393 1.00 23.14 N ATOM 1696 CA ASN A 111 -14.569 -11.117 16.573 1.00 22.94 C ATOM 1697 C ASN A 111 -13.204 -11.743 16.311 1.00 22.38 C ATOM 1698 O ASN A 111 -13.015 -12.946 16.496 1.00 22.72 O ATOM 1699 CB ASN A 111 -15.242 -10.784 15.239 1.00 22.34 C ATOM 1700 CG ASN A 111 -16.725 -10.504 15.387 1.00 23.08 C ATOM 1701 OD1 ASN A 111 -17.142 -9.354 15.513 1.00 23.74 O ATOM 1702 ND2 ASN A 111 -17.532 -11.559 15.375 1.00 23.04 N ATOM 0 H ASN A 111 -14.822 -9.071 16.962 1.00 23.14 H new ATOM 0 HA ASN A 111 -15.184 -11.832 17.120 1.00 22.94 H new ATOM 0 HB2 ASN A 111 -14.754 -9.915 14.797 1.00 22.34 H new ATOM 0 HB3 ASN A 111 -15.100 -11.615 14.548 1.00 22.34 H new ATOM 0 HD21 ASN A 111 -18.539 -11.432 15.473 1.00 23.04 H new ATOM 0 HD22 ASN A 111 -17.144 -12.496 15.268 1.00 23.04 H new ATOM 1709 N LEU A 112 -12.257 -10.917 15.879 1.00 21.58 N ATOM 1710 CA LEU A 112 -10.907 -11.382 15.583 1.00 21.04 C ATOM 1711 C LEU A 112 -10.274 -12.044 16.803 1.00 21.87 C ATOM 1712 O LEU A 112 -9.390 -12.890 16.675 1.00 21.84 O ATOM 1713 CB LEU A 112 -10.039 -10.218 15.103 1.00 20.05 C ATOM 1714 CG LEU A 112 -10.397 -9.680 13.714 1.00 19.21 C ATOM 1715 CD1 LEU A 112 -11.690 -8.882 13.755 1.00 19.02 C ATOM 1716 CD2 LEU A 112 -9.264 -8.830 13.158 1.00 18.68 C ATOM 0 H LEU A 112 -12.400 -9.919 15.726 1.00 21.58 H new ATOM 0 HA LEU A 112 -10.972 -12.126 14.789 1.00 21.04 H new ATOM 0 HB2 LEU A 112 -10.117 -9.404 15.824 1.00 20.05 H new ATOM 0 HB3 LEU A 112 -8.997 -10.539 15.096 1.00 20.05 H new ATOM 0 HG LEU A 112 -10.546 -10.533 13.052 1.00 19.21 H new ATOM 0 HD11 LEU A 112 -11.921 -8.512 12.756 1.00 19.02 H new ATOM 0 HD12 LEU A 112 -12.502 -9.522 14.101 1.00 19.02 H new ATOM 0 HD13 LEU A 112 -11.576 -8.039 14.437 1.00 19.02 H new ATOM 0 HD21 LEU A 112 -9.539 -8.458 12.171 1.00 18.68 H new ATOM 0 HD22 LEU A 112 -9.080 -7.988 13.825 1.00 18.68 H new ATOM 0 HD23 LEU A 112 -8.360 -9.435 13.079 1.00 18.68 H new ATOM 1728 N GLY A 113 -10.738 -11.651 17.983 1.00 22.70 N ATOM 1729 CA GLY A 113 -10.217 -12.222 19.212 1.00 23.62 C ATOM 1730 C GLY A 113 -9.405 -11.232 20.023 1.00 23.76 C ATOM 1731 O GLY A 113 -8.836 -11.587 21.055 1.00 24.44 O ATOM 0 H GLY A 113 -11.465 -10.948 18.112 1.00 22.70 H new ATOM 0 HA2 GLY A 113 -11.047 -12.587 19.818 1.00 23.62 H new ATOM 0 HA3 GLY A 113 -9.595 -13.084 18.971 1.00 23.62 H new ATOM 1735 N GLU A 114 -9.348 -9.989 19.557 1.00 23.22 N ATOM 1736 CA GLU A 114 -8.597 -8.951 20.252 1.00 23.41 C ATOM 1737 C GLU A 114 -9.501 -8.153 21.187 1.00 24.22 C ATOM 1738 O GLU A 114 -10.070 -7.135 20.794 1.00 24.14 O ATOM 1739 CB GLU A 114 -7.935 -8.011 19.243 1.00 22.59 C ATOM 1740 CG GLU A 114 -7.003 -8.716 18.271 1.00 21.89 C ATOM 1741 CD GLU A 114 -5.854 -9.422 18.967 1.00 21.84 C ATOM 1742 OE1 GLU A 114 -6.016 -10.607 19.327 1.00 21.76 O ATOM 1743 OE2 GLU A 114 -4.794 -8.790 19.151 1.00 21.97 O ATOM 0 H GLU A 114 -9.811 -9.677 18.704 1.00 23.22 H new ATOM 0 HA GLU A 114 -7.826 -9.437 20.850 1.00 23.41 H new ATOM 0 HB2 GLU A 114 -8.711 -7.494 18.678 1.00 22.59 H new ATOM 0 HB3 GLU A 114 -7.373 -7.249 19.784 1.00 22.59 H new ATOM 0 HG2 GLU A 114 -7.572 -9.442 17.691 1.00 21.89 H new ATOM 0 HG3 GLU A 114 -6.603 -7.988 17.566 1.00 21.89 H new ATOM 1750 N LYS A 115 -9.631 -8.625 22.426 1.00 25.07 N ATOM 1751 CA LYS A 115 -10.462 -7.949 23.417 1.00 25.94 C ATOM 1752 C LYS A 115 -10.039 -6.493 23.566 1.00 25.87 C ATOM 1753 O LYS A 115 -8.869 -6.196 23.810 1.00 26.08 O ATOM 1754 CB LYS A 115 -10.382 -8.666 24.766 1.00 27.05 C ATOM 1755 CG LYS A 115 -11.336 -9.845 24.887 1.00 27.83 C ATOM 1756 CD LYS A 115 -10.968 -10.972 23.932 1.00 28.38 C ATOM 1757 CE LYS A 115 -9.712 -11.699 24.385 1.00 29.16 C ATOM 1758 NZ LYS A 115 -9.905 -12.371 25.701 1.00 29.75 N ATOM 0 H LYS A 115 -9.172 -9.471 22.765 1.00 25.07 H new ATOM 0 HA LYS A 115 -11.495 -7.976 23.072 1.00 25.94 H new ATOM 0 HB2 LYS A 115 -9.362 -9.017 24.921 1.00 27.05 H new ATOM 0 HB3 LYS A 115 -10.598 -7.952 25.561 1.00 27.05 H new ATOM 0 HG2 LYS A 115 -11.324 -10.218 25.911 1.00 27.83 H new ATOM 0 HG3 LYS A 115 -12.353 -9.512 24.681 1.00 27.83 H new ATOM 0 HD2 LYS A 115 -11.795 -11.679 23.866 1.00 28.38 H new ATOM 0 HD3 LYS A 115 -10.814 -10.567 22.932 1.00 28.38 H new ATOM 0 HE2 LYS A 115 -9.431 -12.440 23.636 1.00 29.16 H new ATOM 0 HE3 LYS A 115 -8.887 -10.990 24.457 1.00 29.16 H new ATOM 0 HZ1 LYS A 115 -9.186 -13.113 25.821 1.00 29.75 H new ATOM 0 HZ2 LYS A 115 -9.811 -11.672 26.465 1.00 29.75 H new ATOM 0 HZ3 LYS A 115 -10.853 -12.798 25.737 1.00 29.75 H new ATOM 1772 N VAL A 116 -11.000 -5.587 23.415 1.00 25.67 N ATOM 1773 CA VAL A 116 -10.726 -4.160 23.513 1.00 25.69 C ATOM 1774 C VAL A 116 -11.882 -3.399 24.147 1.00 26.53 C ATOM 1775 O VAL A 116 -13.032 -3.838 24.103 1.00 26.78 O ATOM 1776 CB VAL A 116 -10.463 -3.551 22.126 1.00 24.51 C ATOM 1777 CG1 VAL A 116 -9.049 -3.853 21.656 1.00 23.77 C ATOM 1778 CG2 VAL A 116 -11.485 -4.060 21.121 1.00 24.02 C ATOM 0 H VAL A 116 -11.975 -5.817 23.224 1.00 25.67 H new ATOM 0 HA VAL A 116 -9.842 -4.065 24.143 1.00 25.69 H new ATOM 0 HB VAL A 116 -10.564 -2.469 22.205 1.00 24.51 H new ATOM 0 HG11 VAL A 116 -8.890 -3.411 20.673 1.00 23.77 H new ATOM 0 HG12 VAL A 116 -8.333 -3.433 22.363 1.00 23.77 H new ATOM 0 HG13 VAL A 116 -8.908 -4.932 21.595 1.00 23.77 H new ATOM 0 HG21 VAL A 116 -11.285 -3.620 20.144 1.00 24.02 H new ATOM 0 HG22 VAL A 116 -11.417 -5.146 21.051 1.00 24.02 H new ATOM 0 HG23 VAL A 116 -12.487 -3.780 21.447 1.00 24.02 H new ATOM 1788 N THR A 117 -11.560 -2.253 24.736 1.00 27.04 N ATOM 1789 CA THR A 117 -12.559 -1.401 25.360 1.00 27.90 C ATOM 1790 C THR A 117 -12.926 -0.262 24.416 1.00 27.38 C ATOM 1791 O THR A 117 -12.064 0.280 23.725 1.00 26.61 O ATOM 1792 CB THR A 117 -12.053 -0.816 26.692 1.00 28.88 C ATOM 1793 OG1 THR A 117 -10.879 -0.026 26.466 1.00 28.45 O ATOM 1794 CG2 THR A 117 -11.738 -1.923 27.687 1.00 29.54 C ATOM 0 H THR A 117 -10.607 -1.893 24.793 1.00 27.04 H new ATOM 0 HA THR A 117 -13.436 -2.013 25.568 1.00 27.90 H new ATOM 0 HB THR A 117 -12.841 -0.188 27.108 1.00 28.88 H new ATOM 0 HG1 THR A 117 -10.564 0.344 27.317 1.00 28.45 H new ATOM 0 HG21 THR A 117 -11.383 -1.484 28.619 1.00 29.54 H new ATOM 0 HG22 THR A 117 -12.639 -2.506 27.880 1.00 29.54 H new ATOM 0 HG23 THR A 117 -10.967 -2.574 27.275 1.00 29.54 H new ATOM 1802 N ASP A 118 -14.207 0.090 24.390 1.00 27.85 N ATOM 1803 CA ASP A 118 -14.699 1.158 23.521 1.00 27.53 C ATOM 1804 C ASP A 118 -13.837 2.415 23.618 1.00 27.56 C ATOM 1805 O ASP A 118 -13.835 3.241 22.708 1.00 27.11 O ATOM 1806 CB ASP A 118 -16.147 1.499 23.875 1.00 28.39 C ATOM 1807 CG ASP A 118 -17.100 0.361 23.575 1.00 28.44 C ATOM 1808 OD1 ASP A 118 -17.157 -0.595 24.377 1.00 28.40 O ATOM 1809 OD2 ASP A 118 -17.794 0.425 22.537 1.00 28.58 O ATOM 0 H ASP A 118 -14.928 -0.350 24.963 1.00 27.85 H new ATOM 0 HA ASP A 118 -14.646 0.794 22.495 1.00 27.53 H new ATOM 0 HB2 ASP A 118 -16.209 1.751 24.934 1.00 28.39 H new ATOM 0 HB3 ASP A 118 -16.455 2.384 23.318 1.00 28.39 H new ATOM 1814 N GLU A 119 -13.107 2.552 24.720 1.00 28.18 N ATOM 1815 CA GLU A 119 -12.255 3.718 24.932 1.00 28.39 C ATOM 1816 C GLU A 119 -10.930 3.603 24.177 1.00 27.39 C ATOM 1817 O GLU A 119 -10.583 4.481 23.387 1.00 26.99 O ATOM 1818 CB GLU A 119 -11.989 3.912 26.425 1.00 29.53 C ATOM 1819 CG GLU A 119 -13.248 4.163 27.240 1.00 30.59 C ATOM 1820 CD GLU A 119 -12.958 4.363 28.715 1.00 31.58 C ATOM 1821 OE1 GLU A 119 -12.927 3.358 29.455 1.00 31.92 O ATOM 1822 OE2 GLU A 119 -12.765 5.525 29.129 1.00 32.06 O ATOM 0 H GLU A 119 -13.088 1.871 25.480 1.00 28.18 H new ATOM 0 HA GLU A 119 -12.785 4.586 24.540 1.00 28.39 H new ATOM 0 HB2 GLU A 119 -11.485 3.027 26.814 1.00 29.53 H new ATOM 0 HB3 GLU A 119 -11.307 4.752 26.558 1.00 29.53 H new ATOM 0 HG2 GLU A 119 -13.758 5.044 26.851 1.00 30.59 H new ATOM 0 HG3 GLU A 119 -13.929 3.321 27.118 1.00 30.59 H new ATOM 1829 N GLU A 120 -10.195 2.519 24.419 1.00 27.04 N ATOM 1830 CA GLU A 120 -8.902 2.314 23.770 1.00 26.15 C ATOM 1831 C GLU A 120 -9.028 2.304 22.249 1.00 24.97 C ATOM 1832 O GLU A 120 -8.197 2.883 21.546 1.00 24.41 O ATOM 1833 CB GLU A 120 -8.250 1.016 24.257 1.00 26.05 C ATOM 1834 CG GLU A 120 -9.009 -0.243 23.876 1.00 25.61 C ATOM 1835 CD GLU A 120 -8.291 -1.505 24.317 1.00 25.53 C ATOM 1836 OE1 GLU A 120 -7.323 -1.905 23.637 1.00 24.93 O ATOM 1837 OE2 GLU A 120 -8.695 -2.090 25.343 1.00 26.13 O ATOM 0 H GLU A 120 -10.471 1.772 25.057 1.00 27.04 H new ATOM 0 HA GLU A 120 -8.264 3.154 24.046 1.00 26.15 H new ATOM 0 HB2 GLU A 120 -7.240 0.955 23.851 1.00 26.05 H new ATOM 0 HB3 GLU A 120 -8.155 1.055 25.342 1.00 26.05 H new ATOM 0 HG2 GLU A 120 -10.001 -0.216 24.326 1.00 25.61 H new ATOM 0 HG3 GLU A 120 -9.150 -0.267 22.795 1.00 25.61 H new ATOM 1844 N ILE A 121 -10.071 1.657 21.740 1.00 24.65 N ATOM 1845 CA ILE A 121 -10.275 1.579 20.300 1.00 23.60 C ATOM 1846 C ILE A 121 -10.733 2.907 19.717 1.00 23.80 C ATOM 1847 O ILE A 121 -10.230 3.333 18.678 1.00 23.05 O ATOM 1848 CB ILE A 121 -11.283 0.486 19.915 1.00 23.30 C ATOM 1849 CG1 ILE A 121 -12.553 0.583 20.759 1.00 24.33 C ATOM 1850 CG2 ILE A 121 -10.648 -0.886 20.051 1.00 22.99 C ATOM 1851 CD1 ILE A 121 -13.783 0.950 19.958 1.00 24.19 C ATOM 0 H ILE A 121 -10.782 1.183 22.298 1.00 24.65 H new ATOM 0 HA ILE A 121 -9.303 1.323 19.878 1.00 23.60 H new ATOM 0 HB ILE A 121 -11.567 0.636 18.873 1.00 23.30 H new ATOM 0 HG12 ILE A 121 -12.724 -0.372 21.255 1.00 24.33 H new ATOM 0 HG13 ILE A 121 -12.404 1.327 21.542 1.00 24.33 H new ATOM 0 HG21 ILE A 121 -11.373 -1.652 19.775 1.00 22.99 H new ATOM 0 HG22 ILE A 121 -9.782 -0.953 19.393 1.00 22.99 H new ATOM 0 HG23 ILE A 121 -10.332 -1.040 21.083 1.00 22.99 H new ATOM 0 HD11 ILE A 121 -14.647 1.001 20.621 1.00 24.19 H new ATOM 0 HD12 ILE A 121 -13.632 1.919 19.483 1.00 24.19 H new ATOM 0 HD13 ILE A 121 -13.957 0.194 19.192 1.00 24.19 H new ATOM 1863 N ASP A 122 -11.691 3.557 20.375 1.00 24.87 N ATOM 1864 CA ASP A 122 -12.185 4.842 19.898 1.00 25.26 C ATOM 1865 C ASP A 122 -11.013 5.785 19.659 1.00 25.13 C ATOM 1866 O ASP A 122 -11.038 6.613 18.748 1.00 24.95 O ATOM 1867 CB ASP A 122 -13.163 5.457 20.903 1.00 26.55 C ATOM 1868 CG ASP A 122 -13.621 6.843 20.496 1.00 27.08 C ATOM 1869 OD1 ASP A 122 -14.592 6.942 19.718 1.00 27.28 O ATOM 1870 OD2 ASP A 122 -13.006 7.830 20.952 1.00 27.39 O ATOM 0 H ASP A 122 -12.134 3.219 21.229 1.00 24.87 H new ATOM 0 HA ASP A 122 -12.718 4.685 18.960 1.00 25.26 H new ATOM 0 HB2 ASP A 122 -14.032 4.806 21.004 1.00 26.55 H new ATOM 0 HB3 ASP A 122 -12.688 5.508 21.882 1.00 26.55 H new ATOM 1875 N GLU A 123 -9.981 5.643 20.489 1.00 25.32 N ATOM 1876 CA GLU A 123 -8.782 6.457 20.363 1.00 25.30 C ATOM 1877 C GLU A 123 -8.026 6.071 19.100 1.00 24.05 C ATOM 1878 O GLU A 123 -7.606 6.935 18.332 1.00 23.89 O ATOM 1879 CB GLU A 123 -7.881 6.285 21.589 1.00 25.91 C ATOM 1880 CG GLU A 123 -8.488 6.829 22.872 1.00 27.23 C ATOM 1881 CD GLU A 123 -8.752 8.321 22.808 1.00 27.86 C ATOM 1882 OE1 GLU A 123 -7.813 9.102 23.070 1.00 28.28 O ATOM 1883 OE2 GLU A 123 -9.897 8.708 22.492 1.00 27.98 O ATOM 0 H GLU A 123 -9.955 4.970 21.255 1.00 25.32 H new ATOM 0 HA GLU A 123 -9.077 7.504 20.298 1.00 25.30 H new ATOM 0 HB2 GLU A 123 -7.661 5.226 21.722 1.00 25.91 H new ATOM 0 HB3 GLU A 123 -6.931 6.787 21.405 1.00 25.91 H new ATOM 0 HG2 GLU A 123 -9.423 6.307 23.076 1.00 27.23 H new ATOM 0 HG3 GLU A 123 -7.817 6.618 23.705 1.00 27.23 H new ATOM 1890 N MET A 124 -7.861 4.766 18.886 1.00 23.22 N ATOM 1891 CA MET A 124 -7.172 4.275 17.704 1.00 21.99 C ATOM 1892 C MET A 124 -7.823 4.845 16.449 1.00 21.54 C ATOM 1893 O MET A 124 -7.143 5.213 15.492 1.00 20.82 O ATOM 1894 CB MET A 124 -7.206 2.746 17.670 1.00 21.32 C ATOM 1895 CG MET A 124 -6.648 2.160 16.388 1.00 20.01 C ATOM 1896 SD MET A 124 -6.669 0.357 16.375 1.00 19.35 S ATOM 1897 CE MET A 124 -8.422 0.040 16.191 1.00 19.76 C ATOM 0 H MET A 124 -8.195 4.036 19.516 1.00 23.22 H new ATOM 0 HA MET A 124 -6.132 4.599 17.740 1.00 21.99 H new ATOM 0 HB2 MET A 124 -6.638 2.358 18.516 1.00 21.32 H new ATOM 0 HB3 MET A 124 -8.235 2.410 17.797 1.00 21.32 H new ATOM 0 HG2 MET A 124 -7.227 2.531 15.542 1.00 20.01 H new ATOM 0 HG3 MET A 124 -5.624 2.508 16.251 1.00 20.01 H new ATOM 0 HE1 MET A 124 -8.579 -1.012 15.954 1.00 19.76 H new ATOM 0 HE2 MET A 124 -8.935 0.282 17.122 1.00 19.76 H new ATOM 0 HE3 MET A 124 -8.821 0.657 15.386 1.00 19.76 H new ATOM 1907 N ILE A 125 -9.150 4.909 16.471 1.00 22.08 N ATOM 1908 CA ILE A 125 -9.917 5.446 15.358 1.00 21.89 C ATOM 1909 C ILE A 125 -9.608 6.923 15.151 1.00 22.49 C ATOM 1910 O ILE A 125 -9.535 7.399 14.018 1.00 22.09 O ATOM 1911 CB ILE A 125 -11.427 5.272 15.605 1.00 22.46 C ATOM 1912 CG1 ILE A 125 -11.780 3.783 15.629 1.00 21.89 C ATOM 1913 CG2 ILE A 125 -12.243 6.010 14.549 1.00 22.55 C ATOM 1914 CD1 ILE A 125 -13.246 3.506 15.872 1.00 22.55 C ATOM 0 H ILE A 125 -9.719 4.592 17.256 1.00 22.08 H new ATOM 0 HA ILE A 125 -9.633 4.893 14.463 1.00 21.89 H new ATOM 0 HB ILE A 125 -11.675 5.707 16.573 1.00 22.46 H new ATOM 0 HG12 ILE A 125 -11.488 3.335 14.679 1.00 21.89 H new ATOM 0 HG13 ILE A 125 -11.194 3.293 16.406 1.00 21.89 H new ATOM 0 HG21 ILE A 125 -13.306 5.870 14.747 1.00 22.55 H new ATOM 0 HG22 ILE A 125 -12.004 7.073 14.582 1.00 22.55 H new ATOM 0 HG23 ILE A 125 -12.003 5.615 13.562 1.00 22.55 H new ATOM 0 HD11 ILE A 125 -13.417 2.430 15.875 1.00 22.55 H new ATOM 0 HD12 ILE A 125 -13.540 3.923 16.835 1.00 22.55 H new ATOM 0 HD13 ILE A 125 -13.839 3.965 15.081 1.00 22.55 H new ATOM 1926 N ARG A 126 -9.429 7.644 16.252 1.00 23.53 N ATOM 1927 CA ARG A 126 -9.131 9.068 16.186 1.00 24.28 C ATOM 1928 C ARG A 126 -7.753 9.298 15.576 1.00 23.77 C ATOM 1929 O ARG A 126 -7.581 10.153 14.707 1.00 23.91 O ATOM 1930 CB ARG A 126 -9.197 9.695 17.579 1.00 25.52 C ATOM 1931 CG ARG A 126 -8.968 11.198 17.579 1.00 26.44 C ATOM 1932 CD ARG A 126 -8.965 11.762 18.990 1.00 27.30 C ATOM 1933 NE ARG A 126 -8.732 13.203 19.000 1.00 28.16 N ATOM 1934 CZ ARG A 126 -7.728 13.784 19.648 1.00 28.99 C ATOM 1935 NH1 ARG A 126 -6.863 13.050 20.334 1.00 29.08 N ATOM 1936 NH2 ARG A 126 -7.586 15.102 19.608 1.00 29.80 N ATOM 0 H ARG A 126 -9.485 7.266 17.198 1.00 23.53 H new ATOM 0 HA ARG A 126 -9.879 9.543 15.552 1.00 24.28 H new ATOM 0 HB2 ARG A 126 -10.172 9.484 18.018 1.00 25.52 H new ATOM 0 HB3 ARG A 126 -8.451 9.222 18.217 1.00 25.52 H new ATOM 0 HG2 ARG A 126 -8.018 11.422 17.095 1.00 26.44 H new ATOM 0 HG3 ARG A 126 -9.747 11.686 16.993 1.00 26.44 H new ATOM 0 HD2 ARG A 126 -9.920 11.545 19.470 1.00 27.30 H new ATOM 0 HD3 ARG A 126 -8.193 11.265 19.578 1.00 27.30 H new ATOM 0 HE ARG A 126 -9.377 13.798 18.480 1.00 28.16 H new ATOM 0 HH11 ARG A 126 -6.967 12.036 20.366 1.00 29.08 H new ATOM 0 HH12 ARG A 126 -6.093 13.499 20.830 1.00 29.08 H new ATOM 0 HH21 ARG A 126 -8.248 15.670 19.080 1.00 29.80 H new ATOM 0 HH22 ARG A 126 -6.815 15.547 20.106 1.00 29.80 H new ATOM 1950 N GLU A 127 -6.778 8.526 16.041 1.00 23.26 N ATOM 1951 CA GLU A 127 -5.411 8.632 15.545 1.00 22.80 C ATOM 1952 C GLU A 127 -5.356 8.390 14.041 1.00 21.68 C ATOM 1953 O GLU A 127 -4.511 8.951 13.342 1.00 21.50 O ATOM 1954 CB GLU A 127 -4.509 7.629 16.266 1.00 22.59 C ATOM 1955 CG GLU A 127 -4.008 8.109 17.618 1.00 23.70 C ATOM 1956 CD GLU A 127 -5.112 8.634 18.515 1.00 23.91 C ATOM 1957 OE1 GLU A 127 -5.568 9.774 18.286 1.00 24.13 O ATOM 1958 OE2 GLU A 127 -5.527 7.904 19.440 1.00 23.95 O ATOM 0 H GLU A 127 -6.909 7.818 16.763 1.00 23.26 H new ATOM 0 HA GLU A 127 -5.056 9.643 15.745 1.00 22.80 H new ATOM 0 HB2 GLU A 127 -5.057 6.697 16.403 1.00 22.59 H new ATOM 0 HB3 GLU A 127 -3.652 7.405 15.631 1.00 22.59 H new ATOM 0 HG2 GLU A 127 -3.500 7.287 18.122 1.00 23.70 H new ATOM 0 HG3 GLU A 127 -3.269 8.895 17.465 1.00 23.70 H new ATOM 1965 N ALA A 128 -6.262 7.552 13.547 1.00 21.01 N ATOM 1966 CA ALA A 128 -6.319 7.236 12.126 1.00 19.97 C ATOM 1967 C ALA A 128 -7.151 8.266 11.372 1.00 20.40 C ATOM 1968 O ALA A 128 -6.886 8.561 10.207 1.00 19.88 O ATOM 1969 CB ALA A 128 -6.886 5.840 11.920 1.00 19.05 C ATOM 0 H ALA A 128 -6.968 7.079 14.112 1.00 21.01 H new ATOM 0 HA ALA A 128 -5.305 7.265 11.728 1.00 19.97 H new ATOM 0 HB1 ALA A 128 -6.923 5.616 10.854 1.00 19.05 H new ATOM 0 HB2 ALA A 128 -6.250 5.111 12.422 1.00 19.05 H new ATOM 0 HB3 ALA A 128 -7.892 5.791 12.336 1.00 19.05 H new ATOM 1975 N ASP A 129 -8.154 8.812 12.048 1.00 21.43 N ATOM 1976 CA ASP A 129 -9.027 9.813 11.450 1.00 22.05 C ATOM 1977 C ASP A 129 -8.309 11.153 11.327 1.00 22.75 C ATOM 1978 O ASP A 129 -8.110 11.855 12.320 1.00 23.69 O ATOM 1979 CB ASP A 129 -10.301 9.962 12.284 1.00 22.95 C ATOM 1980 CG ASP A 129 -11.128 11.164 11.878 1.00 23.80 C ATOM 1981 OD1 ASP A 129 -11.497 11.257 10.688 1.00 24.38 O ATOM 1982 OD2 ASP A 129 -11.410 12.010 12.752 1.00 23.96 O ATOM 0 H ASP A 129 -8.383 8.577 13.014 1.00 21.43 H new ATOM 0 HA ASP A 129 -9.299 9.482 10.448 1.00 22.05 H new ATOM 0 HB2 ASP A 129 -10.904 9.060 12.182 1.00 22.95 H new ATOM 0 HB3 ASP A 129 -10.033 10.049 13.337 1.00 22.95 H new ATOM 1987 N PHE A 130 -7.922 11.502 10.104 1.00 22.35 N ATOM 1988 CA PHE A 130 -7.218 12.754 9.851 1.00 23.04 C ATOM 1989 C PHE A 130 -8.189 13.885 9.515 1.00 24.02 C ATOM 1990 O PHE A 130 -8.079 14.986 10.054 1.00 25.05 O ATOM 1991 CB PHE A 130 -6.215 12.580 8.709 1.00 22.22 C ATOM 1992 CG PHE A 130 -5.097 11.628 9.028 1.00 21.35 C ATOM 1993 CD1 PHE A 130 -4.036 12.027 9.826 1.00 20.73 C ATOM 1994 CD2 PHE A 130 -5.105 10.336 8.527 1.00 21.23 C ATOM 1995 CE1 PHE A 130 -3.005 11.154 10.119 1.00 20.01 C ATOM 1996 CE2 PHE A 130 -4.076 9.459 8.817 1.00 20.51 C ATOM 1997 CZ PHE A 130 -3.025 9.869 9.615 1.00 19.90 C ATOM 0 H PHE A 130 -8.084 10.935 9.272 1.00 22.35 H new ATOM 0 HA PHE A 130 -6.686 13.021 10.764 1.00 23.04 H new ATOM 0 HB2 PHE A 130 -6.743 12.223 7.825 1.00 22.22 H new ATOM 0 HB3 PHE A 130 -5.792 13.552 8.457 1.00 22.22 H new ATOM 0 HD1 PHE A 130 -4.015 13.031 10.223 1.00 20.73 H new ATOM 0 HD2 PHE A 130 -5.924 10.010 7.903 1.00 21.23 H new ATOM 0 HE1 PHE A 130 -2.184 11.477 10.742 1.00 20.01 H new ATOM 0 HE2 PHE A 130 -4.094 8.455 8.420 1.00 20.51 H new ATOM 0 HZ PHE A 130 -2.221 9.185 9.844 1.00 19.90 H new ATOM 2007 N ASP A 131 -9.134 13.607 8.621 1.00 23.76 N ATOM 2008 CA ASP A 131 -10.114 14.609 8.211 1.00 24.71 C ATOM 2009 C ASP A 131 -10.891 15.148 9.409 1.00 25.78 C ATOM 2010 O ASP A 131 -11.043 16.359 9.566 1.00 26.78 O ATOM 2011 CB ASP A 131 -11.079 14.022 7.178 1.00 24.21 C ATOM 2012 CG ASP A 131 -11.854 12.834 7.712 1.00 23.32 C ATOM 2013 OD1 ASP A 131 -12.935 13.047 8.300 1.00 23.46 O ATOM 2014 OD2 ASP A 131 -11.378 11.692 7.544 1.00 22.53 O ATOM 0 H ASP A 131 -9.242 12.700 8.168 1.00 23.76 H new ATOM 0 HA ASP A 131 -9.571 15.439 7.758 1.00 24.71 H new ATOM 0 HB2 ASP A 131 -11.779 14.795 6.860 1.00 24.21 H new ATOM 0 HB3 ASP A 131 -10.518 13.718 6.294 1.00 24.21 H new ATOM 2019 N GLY A 132 -11.380 14.242 10.252 1.00 25.60 N ATOM 2020 CA GLY A 132 -12.133 14.651 11.425 1.00 26.62 C ATOM 2021 C GLY A 132 -13.623 14.407 11.282 1.00 26.95 C ATOM 2022 O GLY A 132 -14.405 15.353 11.190 1.00 27.86 O ATOM 0 H GLY A 132 -11.268 13.234 10.144 1.00 25.60 H new ATOM 0 HA2 GLY A 132 -11.763 14.110 12.296 1.00 26.62 H new ATOM 0 HA3 GLY A 132 -11.959 15.711 11.611 1.00 26.62 H new ATOM 2026 N ASP A 133 -14.018 13.137 11.265 1.00 26.26 N ATOM 2027 CA ASP A 133 -15.424 12.777 11.135 1.00 26.58 C ATOM 2028 C ASP A 133 -15.788 11.634 12.079 1.00 26.27 C ATOM 2029 O ASP A 133 -16.951 11.241 12.172 1.00 26.65 O ATOM 2030 CB ASP A 133 -15.736 12.381 9.692 1.00 26.12 C ATOM 2031 CG ASP A 133 -15.008 11.124 9.258 1.00 24.90 C ATOM 2032 OD1 ASP A 133 -13.986 10.781 9.887 1.00 24.32 O ATOM 2033 OD2 ASP A 133 -15.461 10.481 8.288 1.00 24.55 O ATOM 0 H ASP A 133 -13.384 12.342 11.340 1.00 26.26 H new ATOM 0 HA ASP A 133 -16.022 13.648 11.405 1.00 26.58 H new ATOM 0 HB2 ASP A 133 -16.810 12.228 9.586 1.00 26.12 H new ATOM 0 HB3 ASP A 133 -15.463 13.201 9.028 1.00 26.12 H new ATOM 2038 N GLY A 134 -14.785 11.104 12.776 1.00 25.66 N ATOM 2039 CA GLY A 134 -15.020 10.012 13.705 1.00 25.42 C ATOM 2040 C GLY A 134 -15.275 8.695 12.998 1.00 24.43 C ATOM 2041 O GLY A 134 -15.831 7.766 13.584 1.00 24.42 O ATOM 0 H GLY A 134 -13.814 11.412 12.714 1.00 25.66 H new ATOM 0 HA2 GLY A 134 -14.157 9.907 14.363 1.00 25.42 H new ATOM 0 HA3 GLY A 134 -15.875 10.254 14.336 1.00 25.42 H new ATOM 2045 N MET A 135 -14.867 8.619 11.736 1.00 23.66 N ATOM 2046 CA MET A 135 -15.052 7.411 10.941 1.00 22.72 C ATOM 2047 C MET A 135 -13.760 7.042 10.218 1.00 21.56 C ATOM 2048 O MET A 135 -12.912 7.902 9.977 1.00 21.55 O ATOM 2049 CB MET A 135 -16.191 7.606 9.938 1.00 23.01 C ATOM 2050 CG MET A 135 -17.438 8.225 10.550 1.00 24.25 C ATOM 2051 SD MET A 135 -18.869 8.144 9.456 1.00 24.43 S ATOM 2052 CE MET A 135 -19.296 6.409 9.584 1.00 23.79 C ATOM 0 H MET A 135 -14.405 9.382 11.241 1.00 23.66 H new ATOM 0 HA MET A 135 -15.315 6.592 11.611 1.00 22.72 H new ATOM 0 HB2 MET A 135 -15.842 8.240 9.123 1.00 23.01 H new ATOM 0 HB3 MET A 135 -16.450 6.641 9.502 1.00 23.01 H new ATOM 0 HG2 MET A 135 -17.671 7.713 11.484 1.00 24.25 H new ATOM 0 HG3 MET A 135 -17.236 9.267 10.799 1.00 24.25 H new ATOM 0 HE1 MET A 135 -19.703 6.063 8.634 1.00 23.79 H new ATOM 0 HE2 MET A 135 -18.404 5.832 9.828 1.00 23.79 H new ATOM 0 HE3 MET A 135 -20.041 6.275 10.368 1.00 23.79 H new ATOM 2062 N ILE A 136 -13.612 5.763 9.872 1.00 20.64 N ATOM 2063 CA ILE A 136 -12.409 5.289 9.193 1.00 19.48 C ATOM 2064 C ILE A 136 -12.698 4.818 7.774 1.00 18.80 C ATOM 2065 O ILE A 136 -13.649 4.079 7.533 1.00 18.85 O ATOM 2066 CB ILE A 136 -11.746 4.124 9.956 1.00 18.91 C ATOM 2067 CG1 ILE A 136 -11.427 4.534 11.395 1.00 19.65 C ATOM 2068 CG2 ILE A 136 -10.485 3.662 9.234 1.00 17.71 C ATOM 2069 CD1 ILE A 136 -10.488 5.718 11.504 1.00 19.77 C ATOM 0 H ILE A 136 -14.309 5.040 10.051 1.00 20.64 H new ATOM 0 HA ILE A 136 -11.734 6.144 9.161 1.00 19.48 H new ATOM 0 HB ILE A 136 -12.447 3.290 9.988 1.00 18.91 H new ATOM 0 HG12 ILE A 136 -12.358 4.773 11.909 1.00 19.65 H new ATOM 0 HG13 ILE A 136 -10.985 3.684 11.915 1.00 19.65 H new ATOM 0 HG21 ILE A 136 -10.030 2.840 9.786 1.00 17.71 H new ATOM 0 HG22 ILE A 136 -10.743 3.326 8.230 1.00 17.71 H new ATOM 0 HG23 ILE A 136 -9.779 4.490 9.169 1.00 17.71 H new ATOM 0 HD11 ILE A 136 -10.311 5.947 12.555 1.00 19.77 H new ATOM 0 HD12 ILE A 136 -9.541 5.477 11.021 1.00 19.77 H new ATOM 0 HD13 ILE A 136 -10.935 6.583 11.015 1.00 19.77 H new ATOM 2081 N ASN A 137 -11.849 5.242 6.849 1.00 18.27 N ATOM 2082 CA ASN A 137 -11.969 4.867 5.447 1.00 17.67 C ATOM 2083 C ASN A 137 -10.769 4.021 5.042 1.00 16.40 C ATOM 2084 O ASN A 137 -9.733 4.082 5.699 1.00 16.12 O ATOM 2085 CB ASN A 137 -12.062 6.114 4.564 1.00 18.25 C ATOM 2086 CG ASN A 137 -12.169 5.774 3.091 1.00 18.20 C ATOM 2087 OD1 ASN A 137 -11.161 5.659 2.395 1.00 18.03 O ATOM 2088 ND2 ASN A 137 -13.395 5.612 2.610 1.00 18.49 N ATOM 0 H ASN A 137 -11.058 5.855 7.049 1.00 18.27 H new ATOM 0 HA ASN A 137 -12.881 4.285 5.312 1.00 17.67 H new ATOM 0 HB2 ASN A 137 -12.930 6.703 4.862 1.00 18.25 H new ATOM 0 HB3 ASN A 137 -11.183 6.737 4.727 1.00 18.25 H new ATOM 0 HD21 ASN A 137 -13.530 5.382 1.625 1.00 18.49 H new ATOM 0 HD22 ASN A 137 -14.202 5.717 3.225 1.00 18.49 H new ATOM 2095 N TYR A 138 -10.910 3.217 3.988 1.00 15.73 N ATOM 2096 CA TYR A 138 -9.817 2.360 3.521 1.00 14.51 C ATOM 2097 C TYR A 138 -8.462 3.071 3.600 1.00 14.21 C ATOM 2098 O TYR A 138 -7.422 2.426 3.743 1.00 13.35 O ATOM 2099 CB TYR A 138 -10.083 1.901 2.083 1.00 14.11 C ATOM 2100 CG TYR A 138 -8.877 1.284 1.404 1.00 12.93 C ATOM 2101 CD1 TYR A 138 -8.287 0.127 1.900 1.00 12.24 C ATOM 2102 CD2 TYR A 138 -8.327 1.864 0.267 1.00 12.60 C ATOM 2103 CE1 TYR A 138 -7.183 -0.432 1.284 1.00 11.18 C ATOM 2104 CE2 TYR A 138 -7.225 1.309 -0.355 1.00 11.56 C ATOM 2105 CZ TYR A 138 -6.657 0.163 0.158 1.00 10.81 C ATOM 2106 OH TYR A 138 -5.557 -0.390 -0.460 1.00 9.80 O ATOM 0 H TYR A 138 -11.768 3.140 3.442 1.00 15.73 H new ATOM 0 HA TYR A 138 -9.776 1.492 4.179 1.00 14.51 H new ATOM 0 HB2 TYR A 138 -10.896 1.175 2.088 1.00 14.11 H new ATOM 0 HB3 TYR A 138 -10.421 2.755 1.496 1.00 14.11 H new ATOM 0 HD1 TYR A 138 -8.698 -0.343 2.781 1.00 12.24 H new ATOM 0 HD2 TYR A 138 -8.768 2.763 -0.137 1.00 12.60 H new ATOM 0 HE1 TYR A 138 -6.735 -1.330 1.683 1.00 11.18 H new ATOM 0 HE2 TYR A 138 -6.811 1.771 -1.239 1.00 11.56 H new ATOM 0 HH TYR A 138 -5.314 0.151 -1.240 1.00 9.80 H new ATOM 2116 N GLU A 139 -8.477 4.399 3.529 1.00 15.05 N ATOM 2117 CA GLU A 139 -7.243 5.176 3.586 1.00 15.05 C ATOM 2118 C GLU A 139 -6.711 5.253 5.015 1.00 15.40 C ATOM 2119 O GLU A 139 -5.565 4.880 5.279 1.00 14.88 O ATOM 2120 CB GLU A 139 -7.473 6.582 3.030 1.00 16.02 C ATOM 2121 CG GLU A 139 -7.857 6.596 1.559 1.00 15.89 C ATOM 2122 CD GLU A 139 -8.032 8.000 1.014 1.00 16.64 C ATOM 2123 OE1 GLU A 139 -9.155 8.538 1.110 1.00 17.06 O ATOM 2124 OE2 GLU A 139 -7.046 8.561 0.493 1.00 16.91 O ATOM 0 H GLU A 139 -9.325 4.957 3.432 1.00 15.05 H new ATOM 0 HA GLU A 139 -6.497 4.672 2.971 1.00 15.05 H new ATOM 0 HB2 GLU A 139 -8.259 7.069 3.607 1.00 16.02 H new ATOM 0 HB3 GLU A 139 -6.566 7.171 3.166 1.00 16.02 H new ATOM 0 HG2 GLU A 139 -7.090 6.080 0.982 1.00 15.89 H new ATOM 0 HG3 GLU A 139 -8.785 6.040 1.424 1.00 15.89 H new ATOM 2131 N GLU A 140 -7.544 5.732 5.938 1.00 16.39 N ATOM 2132 CA GLU A 140 -7.135 5.831 7.334 1.00 16.95 C ATOM 2133 C GLU A 140 -6.814 4.445 7.869 1.00 16.22 C ATOM 2134 O GLU A 140 -5.906 4.271 8.682 1.00 16.37 O ATOM 2135 CB GLU A 140 -8.229 6.461 8.200 1.00 18.12 C ATOM 2136 CG GLU A 140 -9.139 7.428 7.454 1.00 18.79 C ATOM 2137 CD GLU A 140 -9.792 8.432 8.378 1.00 20.10 C ATOM 2138 OE1 GLU A 140 -10.434 8.003 9.357 1.00 20.52 O ATOM 2139 OE2 GLU A 140 -9.660 9.648 8.124 1.00 20.75 O ATOM 0 H GLU A 140 -8.493 6.053 5.746 1.00 16.39 H new ATOM 0 HA GLU A 140 -6.253 6.470 7.379 1.00 16.95 H new ATOM 0 HB2 GLU A 140 -8.838 5.666 8.631 1.00 18.12 H new ATOM 0 HB3 GLU A 140 -7.760 6.989 9.030 1.00 18.12 H new ATOM 0 HG2 GLU A 140 -8.560 7.957 6.697 1.00 18.79 H new ATOM 0 HG3 GLU A 140 -9.911 6.865 6.929 1.00 18.79 H new ATOM 2146 N PHE A 141 -7.576 3.465 7.398 1.00 15.58 N ATOM 2147 CA PHE A 141 -7.389 2.085 7.807 1.00 14.98 C ATOM 2148 C PHE A 141 -5.980 1.616 7.469 1.00 14.05 C ATOM 2149 O PHE A 141 -5.249 1.150 8.339 1.00 14.12 O ATOM 2150 CB PHE A 141 -8.420 1.184 7.121 1.00 14.62 C ATOM 2151 CG PHE A 141 -8.294 -0.254 7.516 1.00 14.16 C ATOM 2152 CD1 PHE A 141 -7.454 -1.103 6.819 1.00 13.21 C ATOM 2153 CD2 PHE A 141 -9.036 -0.762 8.569 1.00 14.81 C ATOM 2154 CE1 PHE A 141 -7.355 -2.434 7.163 1.00 12.98 C ATOM 2155 CE2 PHE A 141 -8.939 -2.090 8.920 1.00 14.61 C ATOM 2156 CZ PHE A 141 -8.024 -2.903 8.278 1.00 13.73 C ATOM 0 H PHE A 141 -8.333 3.606 6.729 1.00 15.58 H new ATOM 0 HA PHE A 141 -7.529 2.023 8.886 1.00 14.98 H new ATOM 0 HB2 PHE A 141 -9.422 1.536 7.366 1.00 14.62 H new ATOM 0 HB3 PHE A 141 -8.307 1.270 6.040 1.00 14.62 H new ATOM 0 HD1 PHE A 141 -6.869 -0.719 5.996 1.00 13.21 H new ATOM 0 HD2 PHE A 141 -9.697 -0.110 9.120 1.00 14.81 H new ATOM 0 HE1 PHE A 141 -6.758 -3.107 6.565 1.00 12.98 H new ATOM 0 HE2 PHE A 141 -9.575 -2.494 9.693 1.00 14.61 H new ATOM 0 HZ PHE A 141 -7.833 -3.900 8.646 1.00 13.73 H new ATOM 2166 N VAL A 142 -5.613 1.740 6.196 1.00 13.29 N ATOM 2167 CA VAL A 142 -4.288 1.341 5.730 1.00 12.40 C ATOM 2168 C VAL A 142 -3.192 1.918 6.624 1.00 12.96 C ATOM 2169 O VAL A 142 -2.218 1.238 6.949 1.00 12.60 O ATOM 2170 CB VAL A 142 -4.056 1.799 4.271 1.00 11.84 C ATOM 2171 CG1 VAL A 142 -2.572 1.826 3.931 1.00 11.29 C ATOM 2172 CG2 VAL A 142 -4.807 0.895 3.308 1.00 11.16 C ATOM 0 H VAL A 142 -6.218 2.116 5.466 1.00 13.29 H new ATOM 0 HA VAL A 142 -4.242 0.253 5.775 1.00 12.40 H new ATOM 0 HB VAL A 142 -4.440 2.814 4.171 1.00 11.84 H new ATOM 0 HG11 VAL A 142 -2.441 2.152 2.899 1.00 11.29 H new ATOM 0 HG12 VAL A 142 -2.058 2.518 4.598 1.00 11.29 H new ATOM 0 HG13 VAL A 142 -2.153 0.827 4.052 1.00 11.29 H new ATOM 0 HG21 VAL A 142 -4.634 1.230 2.285 1.00 11.16 H new ATOM 0 HG22 VAL A 142 -4.452 -0.130 3.419 1.00 11.16 H new ATOM 0 HG23 VAL A 142 -5.874 0.936 3.528 1.00 11.16 H new ATOM 2182 N TRP A 143 -3.365 3.171 7.021 1.00 13.99 N ATOM 2183 CA TRP A 143 -2.388 3.844 7.868 1.00 14.75 C ATOM 2184 C TRP A 143 -2.322 3.231 9.267 1.00 15.22 C ATOM 2185 O TRP A 143 -1.237 2.948 9.771 1.00 15.27 O ATOM 2186 CB TRP A 143 -2.724 5.334 7.984 1.00 15.86 C ATOM 2187 CG TRP A 143 -1.856 6.061 8.964 1.00 16.76 C ATOM 2188 CD1 TRP A 143 -0.673 6.697 8.719 1.00 16.94 C ATOM 2189 CD2 TRP A 143 -2.110 6.209 10.358 1.00 17.71 C ATOM 2190 NE1 TRP A 143 -0.178 7.230 9.887 1.00 17.96 N ATOM 2191 CE2 TRP A 143 -1.046 6.942 10.908 1.00 18.43 C ATOM 2192 CE3 TRP A 143 -3.142 5.786 11.186 1.00 18.11 C ATOM 2193 CZ2 TRP A 143 -0.989 7.260 12.263 1.00 19.50 C ATOM 2194 CZ3 TRP A 143 -3.088 6.098 12.530 1.00 19.15 C ATOM 2195 CH2 TRP A 143 -2.018 6.828 13.058 1.00 19.83 C ATOM 0 H TRP A 143 -4.172 3.742 6.771 1.00 13.99 H new ATOM 0 HA TRP A 143 -1.414 3.717 7.396 1.00 14.75 H new ATOM 0 HB2 TRP A 143 -2.623 5.800 7.004 1.00 15.86 H new ATOM 0 HB3 TRP A 143 -3.767 5.442 8.282 1.00 15.86 H new ATOM 0 HD1 TRP A 143 -0.197 6.771 7.753 1.00 16.94 H new ATOM 0 HE1 TRP A 143 0.692 7.754 9.978 1.00 17.96 H new ATOM 0 HE3 TRP A 143 -3.972 5.223 10.786 1.00 18.11 H new ATOM 0 HZ2 TRP A 143 -0.165 7.826 12.672 1.00 19.50 H new ATOM 0 HZ3 TRP A 143 -3.884 5.773 13.184 1.00 19.15 H new ATOM 0 HH2 TRP A 143 -2.003 7.056 14.114 1.00 19.83 H new ATOM 2206 N MET A 144 -3.481 3.018 9.882 1.00 15.69 N ATOM 2207 CA MET A 144 -3.538 2.493 11.247 1.00 16.33 C ATOM 2208 C MET A 144 -3.229 1.000 11.325 1.00 15.63 C ATOM 2209 O MET A 144 -2.820 0.507 12.377 1.00 16.10 O ATOM 2210 CB MET A 144 -4.904 2.783 11.871 1.00 17.12 C ATOM 2211 CG MET A 144 -6.064 2.069 11.197 1.00 16.59 C ATOM 2212 SD MET A 144 -7.657 2.548 11.895 1.00 17.69 S ATOM 2213 CE MET A 144 -8.713 1.243 11.274 1.00 17.05 C ATOM 0 H MET A 144 -4.392 3.199 9.461 1.00 15.69 H new ATOM 0 HA MET A 144 -2.760 3.006 11.812 1.00 16.33 H new ATOM 0 HB2 MET A 144 -4.878 2.497 12.922 1.00 17.12 H new ATOM 0 HB3 MET A 144 -5.085 3.857 11.837 1.00 17.12 H new ATOM 0 HG2 MET A 144 -6.055 2.292 10.130 1.00 16.59 H new ATOM 0 HG3 MET A 144 -5.934 0.992 11.299 1.00 16.59 H new ATOM 0 HE1 MET A 144 -9.661 1.255 11.812 1.00 17.05 H new ATOM 0 HE2 MET A 144 -8.897 1.399 10.211 1.00 17.05 H new ATOM 0 HE3 MET A 144 -8.225 0.279 11.421 1.00 17.05 H new ATOM 2223 N ILE A 145 -3.419 0.279 10.228 1.00 14.62 N ATOM 2224 CA ILE A 145 -3.150 -1.153 10.226 1.00 14.03 C ATOM 2225 C ILE A 145 -1.658 -1.425 10.072 1.00 13.62 C ATOM 2226 O ILE A 145 -1.133 -2.389 10.628 1.00 13.74 O ATOM 2227 CB ILE A 145 -3.923 -1.890 9.117 1.00 13.14 C ATOM 2228 CG1 ILE A 145 -3.660 -3.391 9.215 1.00 12.79 C ATOM 2229 CG2 ILE A 145 -3.527 -1.365 7.747 1.00 12.26 C ATOM 2230 CD1 ILE A 145 -4.712 -4.242 8.536 1.00 12.37 C ATOM 0 H ILE A 145 -3.753 0.655 9.341 1.00 14.62 H new ATOM 0 HA ILE A 145 -3.493 -1.535 11.188 1.00 14.03 H new ATOM 0 HB ILE A 145 -4.990 -1.709 9.251 1.00 13.14 H new ATOM 0 HG12 ILE A 145 -2.688 -3.610 8.772 1.00 12.79 H new ATOM 0 HG13 ILE A 145 -3.602 -3.672 10.266 1.00 12.79 H new ATOM 0 HG21 ILE A 145 -4.085 -1.899 6.978 1.00 12.26 H new ATOM 0 HG22 ILE A 145 -3.753 -0.300 7.686 1.00 12.26 H new ATOM 0 HG23 ILE A 145 -2.459 -1.518 7.593 1.00 12.26 H new ATOM 0 HD11 ILE A 145 -4.456 -5.296 8.648 1.00 12.37 H new ATOM 0 HD12 ILE A 145 -5.683 -4.054 8.994 1.00 12.37 H new ATOM 0 HD13 ILE A 145 -4.755 -3.990 7.476 1.00 12.37 H new ATOM 2242 N SER A 146 -0.981 -0.568 9.317 1.00 13.30 N ATOM 2243 CA SER A 146 0.453 -0.712 9.106 1.00 13.04 C ATOM 2244 C SER A 146 1.196 -0.492 10.417 1.00 14.17 C ATOM 2245 O SER A 146 2.375 -0.823 10.544 1.00 14.26 O ATOM 2246 CB SER A 146 0.941 0.287 8.055 1.00 12.74 C ATOM 2247 OG SER A 146 0.304 0.069 6.809 1.00 12.48 O ATOM 0 H SER A 146 -1.401 0.231 8.842 1.00 13.30 H new ATOM 0 HA SER A 146 0.653 -1.722 8.747 1.00 13.04 H new ATOM 0 HB2 SER A 146 0.743 1.303 8.395 1.00 12.74 H new ATOM 0 HB3 SER A 146 2.021 0.196 7.936 1.00 12.74 H new ATOM 0 HG SER A 146 -0.591 0.468 6.825 1.00 12.48 H new ATOM 2253 N GLN A 147 0.486 0.070 11.391 1.00 15.13 N ATOM 2254 CA GLN A 147 1.058 0.346 12.701 1.00 16.31 C ATOM 2255 C GLN A 147 1.215 -0.939 13.506 1.00 16.62 C ATOM 2256 O GLN A 147 2.112 -1.056 14.341 1.00 17.39 O ATOM 2257 CB GLN A 147 0.167 1.331 13.459 1.00 17.27 C ATOM 2258 CG GLN A 147 -0.208 2.555 12.643 1.00 17.07 C ATOM 2259 CD GLN A 147 0.992 3.421 12.307 1.00 17.24 C ATOM 2260 OE1 GLN A 147 1.971 3.460 13.051 1.00 17.61 O ATOM 2261 NE2 GLN A 147 0.920 4.125 11.183 1.00 17.09 N ATOM 0 H GLN A 147 -0.492 0.344 11.295 1.00 15.13 H new ATOM 0 HA GLN A 147 2.046 0.786 12.561 1.00 16.31 H new ATOM 0 HB2 GLN A 147 -0.743 0.819 13.772 1.00 17.27 H new ATOM 0 HB3 GLN A 147 0.681 1.651 14.365 1.00 17.27 H new ATOM 0 HG2 GLN A 147 -0.692 2.237 11.720 1.00 17.07 H new ATOM 0 HG3 GLN A 147 -0.936 3.148 13.197 1.00 17.07 H new ATOM 0 HE21 GLN A 147 0.089 4.063 10.595 1.00 17.09 H new ATOM 0 HE22 GLN A 147 1.696 4.727 10.908 1.00 17.09 H new ATOM 2270 N LYS A 148 0.334 -1.901 13.248 1.00 16.13 N ATOM 2271 CA LYS A 148 0.368 -3.180 13.946 1.00 16.53 C ATOM 2272 C LYS A 148 1.689 -3.901 13.698 1.00 16.32 C ATOM 2273 O LYS A 148 2.610 -3.746 14.528 1.00 16.11 O ATOM 2274 CB LYS A 148 -0.799 -4.059 13.498 1.00 16.16 C ATOM 2275 CG LYS A 148 -2.155 -3.390 13.649 1.00 16.47 C ATOM 2276 CD LYS A 148 -3.286 -4.344 13.300 1.00 16.26 C ATOM 2277 CE LYS A 148 -4.640 -3.661 13.397 1.00 16.41 C ATOM 2278 NZ LYS A 148 -5.758 -4.602 13.116 1.00 16.72 N ATOM 2279 OXT LYS A 148 1.793 -4.614 12.678 1.00 16.50 O ATOM 0 H LYS A 148 -0.413 -1.818 12.559 1.00 16.13 H new ATOM 0 HA LYS A 148 0.278 -2.985 15.015 1.00 16.53 H new ATOM 0 HB2 LYS A 148 -0.654 -4.337 12.454 1.00 16.16 H new ATOM 0 HB3 LYS A 148 -0.792 -4.982 14.078 1.00 16.16 H new ATOM 0 HG2 LYS A 148 -2.277 -3.038 14.673 1.00 16.47 H new ATOM 0 HG3 LYS A 148 -2.204 -2.513 13.003 1.00 16.47 H new ATOM 0 HD2 LYS A 148 -3.142 -4.727 12.290 1.00 16.26 H new ATOM 0 HD3 LYS A 148 -3.261 -5.202 13.972 1.00 16.26 H new ATOM 0 HE2 LYS A 148 -4.763 -3.239 14.394 1.00 16.41 H new ATOM 0 HE3 LYS A 148 -4.679 -2.830 12.692 1.00 16.41 H new ATOM 0 HZ1 LYS A 148 -6.664 -4.097 13.192 1.00 16.72 H new ATOM 0 HZ2 LYS A 148 -5.655 -4.986 12.155 1.00 16.72 H new ATOM 0 HZ3 LYS A 148 -5.737 -5.382 13.804 1.00 16.72 H new