USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1070 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 146 SER OG : rot -35:sc= 0.632 USER MOD Set 1.2: A 147 GLN : amide:sc= 0.311 K(o=0.94,f=-0.62) USER MOD Set 2.1: A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 124 MET CE :methyl -139:sc= -2.3 (180deg=-3.93!) USER MOD Set 3.1: A 41 GLN : amide:sc= -2.55! C(o=-3.2!,f=-8.7!) USER MOD Set 3.2: A 72 MET CE :methyl -131:sc= -0.654 (180deg=-0.153) USER MOD Set 3.3: A 76 MET CE :methyl -167:sc= 0 (180deg=-0.0486) USER MOD Set 4.1: A 24 THR OG1 : rot 7:sc= -0.0499 USER MOD Set 4.2: A 62 GLN :FLIP amide:sc= -1.76 F(o=-11!,f=-1.8) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0305) USER MOD Single : A 18 GLN : amide:sc= -0.217 K(o=-0.22,f=-0.9) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -161:sc= -0.424 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 161:sc= -0.119 (180deg=-0.475) USER MOD Single : A 38 THR OG1 : rot -5:sc= 0.61! USER MOD Single : A 42 ASN : amide:sc= -0.0356 K(o=-0.036,f=-0.86) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0251 K(o=-0.025,f=-0.68) USER MOD Single : A 57 ASN :FLIP amide:sc=-0.000496 F(o=-1.1,f=-0.0005) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.189 F(o=-2.4!,f=-0.19) USER MOD Single : A 59 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.48 K(o=-0.48,f=-2.2) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.095 USER MOD Single : A 69 CYS SG : rot -30:sc= -0.103 USER MOD Single : A 74 LYS NZ :NH3+ -121:sc= 0.119 (180deg=0) USER MOD Single : A 75 GLN :FLIP amide:sc= -1.64 F(o=-5.4!,f=-1.6) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 172:sc= -1.33 (180deg=-1.59) USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0548) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.935 F(o=-2,f=-0.94) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 135 MET CE :methyl -107:sc= -0.185 (180deg=-2.17) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.174 F(o=-3!,f=-0.17) USER MOD Single : A 138 TYR OH : rot -10:sc= -0.619 USER MOD Single : A 144 MET CE :methyl 174:sc= -2.11 (180deg=-2.15) USER MOD Single : A 148 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0814) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 4 -0.845 7.345 3.040 1.00 0.73 N ATOM 28 CA LEU A 4 -2.092 7.943 3.501 1.00 0.45 C ATOM 29 C LEU A 4 -1.834 8.922 4.644 1.00 0.47 C ATOM 30 O LEU A 4 -1.517 8.517 5.763 1.00 0.58 O ATOM 31 CB LEU A 4 -3.071 6.856 3.959 1.00 0.41 C ATOM 32 CG LEU A 4 -3.198 5.647 3.024 1.00 0.50 C ATOM 33 CD1 LEU A 4 -4.225 4.660 3.563 1.00 1.27 C ATOM 34 CD2 LEU A 4 -3.572 6.091 1.616 1.00 1.19 C ATOM 0 HA LEU A 4 -2.532 8.489 2.666 1.00 0.45 H new ATOM 0 HB2 LEU A 4 -2.760 6.502 4.942 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -4.057 7.306 4.079 1.00 0.41 H new ATOM 0 HG LEU A 4 -2.230 5.148 2.979 1.00 0.50 H new ATOM 0 HD11 LEU A 4 -4.302 3.809 2.886 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -3.914 4.313 4.549 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -5.195 5.150 3.640 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -3.657 5.218 0.970 1.00 1.19 H new ATOM 0 HD22 LEU A 4 -4.526 6.617 1.642 1.00 1.19 H new ATOM 0 HD23 LEU A 4 -2.801 6.756 1.228 1.00 1.19 H new ATOM 46 N THR A 5 -1.970 10.213 4.352 1.00 0.47 N ATOM 47 CA THR A 5 -1.751 11.255 5.350 1.00 0.54 C ATOM 48 C THR A 5 -3.007 11.476 6.187 1.00 0.51 C ATOM 49 O THR A 5 -4.103 11.128 5.760 1.00 0.55 O ATOM 50 CB THR A 5 -1.341 12.584 4.684 1.00 0.62 C ATOM 51 OG1 THR A 5 -0.364 12.338 3.666 1.00 1.12 O ATOM 52 CG2 THR A 5 -0.773 13.556 5.706 1.00 0.99 C ATOM 0 H THR A 5 -2.231 10.563 3.430 1.00 0.47 H new ATOM 0 HA THR A 5 -0.942 10.920 5.999 1.00 0.54 H new ATOM 0 HB THR A 5 -2.232 13.029 4.240 1.00 0.62 H new ATOM 0 HG1 THR A 5 -0.109 13.186 3.246 1.00 1.12 H new ATOM 0 HG21 THR A 5 -0.492 14.484 5.208 1.00 0.99 H new ATOM 0 HG22 THR A 5 -1.525 13.765 6.467 1.00 0.99 H new ATOM 0 HG23 THR A 5 0.106 13.116 6.177 1.00 0.99 H new ATOM 60 N GLU A 6 -2.848 12.054 7.374 1.00 0.60 N ATOM 61 CA GLU A 6 -3.981 12.308 8.265 1.00 0.62 C ATOM 62 C GLU A 6 -5.150 12.963 7.526 1.00 0.55 C ATOM 63 O GLU A 6 -6.312 12.749 7.872 1.00 0.53 O ATOM 64 CB GLU A 6 -3.546 13.192 9.435 1.00 0.75 C ATOM 65 CG GLU A 6 -2.541 12.525 10.359 1.00 1.46 C ATOM 66 CD GLU A 6 -2.130 13.418 11.514 1.00 1.74 C ATOM 67 OE1 GLU A 6 -1.204 14.236 11.331 1.00 2.20 O ATOM 68 OE2 GLU A 6 -2.735 13.300 12.600 1.00 2.00 O ATOM 0 H GLU A 6 -1.946 12.356 7.743 1.00 0.60 H new ATOM 0 HA GLU A 6 -4.322 11.344 8.643 1.00 0.62 H new ATOM 0 HB2 GLU A 6 -3.112 14.112 9.043 1.00 0.75 H new ATOM 0 HB3 GLU A 6 -4.426 13.475 10.012 1.00 0.75 H new ATOM 0 HG2 GLU A 6 -2.970 11.603 10.752 1.00 1.46 H new ATOM 0 HG3 GLU A 6 -1.656 12.246 9.787 1.00 1.46 H new ATOM 75 N GLU A 7 -4.837 13.752 6.503 1.00 0.58 N ATOM 76 CA GLU A 7 -5.862 14.441 5.725 1.00 0.58 C ATOM 77 C GLU A 7 -6.555 13.480 4.766 1.00 0.48 C ATOM 78 O GLU A 7 -7.784 13.396 4.731 1.00 0.46 O ATOM 79 CB GLU A 7 -5.246 15.609 4.949 1.00 0.69 C ATOM 80 CG GLU A 7 -4.074 15.211 4.065 1.00 0.69 C ATOM 81 CD GLU A 7 -3.447 16.398 3.360 1.00 1.02 C ATOM 82 OE1 GLU A 7 -4.009 16.846 2.339 1.00 1.19 O ATOM 83 OE2 GLU A 7 -2.395 16.878 3.830 1.00 1.35 O ATOM 0 H GLU A 7 -3.882 13.930 6.193 1.00 0.58 H new ATOM 0 HA GLU A 7 -6.608 14.831 6.417 1.00 0.58 H new ATOM 0 HB2 GLU A 7 -6.017 16.068 4.329 1.00 0.69 H new ATOM 0 HB3 GLU A 7 -4.913 16.368 5.657 1.00 0.69 H new ATOM 0 HG2 GLU A 7 -3.318 14.713 4.672 1.00 0.69 H new ATOM 0 HG3 GLU A 7 -4.413 14.489 3.322 1.00 0.69 H new ATOM 90 N GLN A 8 -5.758 12.755 3.991 1.00 0.44 N ATOM 91 CA GLN A 8 -6.286 11.797 3.031 1.00 0.37 C ATOM 92 C GLN A 8 -7.044 10.684 3.743 1.00 0.31 C ATOM 93 O GLN A 8 -8.058 10.193 3.247 1.00 0.29 O ATOM 94 CB GLN A 8 -5.147 11.213 2.200 1.00 0.40 C ATOM 95 CG GLN A 8 -4.457 12.240 1.318 1.00 0.48 C ATOM 96 CD GLN A 8 -3.475 11.613 0.344 1.00 1.35 C ATOM 97 OE1 GLN A 8 -2.892 10.483 0.731 1.00 2.22 O flip ATOM 98 NE2 GLN A 8 -3.245 12.138 -0.745 1.00 1.68 N flip ATOM 0 H GLN A 8 -4.740 12.814 4.010 1.00 0.44 H new ATOM 0 HA GLN A 8 -6.981 12.314 2.369 1.00 0.37 H new ATOM 0 HB2 GLN A 8 -4.411 10.766 2.869 1.00 0.40 H new ATOM 0 HB3 GLN A 8 -5.538 10.411 1.574 1.00 0.40 H new ATOM 0 HG2 GLN A 8 -5.209 12.798 0.760 1.00 0.48 H new ATOM 0 HG3 GLN A 8 -3.930 12.957 1.947 1.00 0.48 H new ATOM 0 HE21 GLN A 8 -3.715 13.006 -1.002 1.00 1.68 H new ATOM 0 HE22 GLN A 8 -2.584 11.705 -1.390 1.00 1.68 H new ATOM 107 N ILE A 9 -6.547 10.298 4.912 1.00 0.33 N ATOM 108 CA ILE A 9 -7.170 9.248 5.702 1.00 0.33 C ATOM 109 C ILE A 9 -8.571 9.655 6.124 1.00 0.34 C ATOM 110 O ILE A 9 -9.531 8.922 5.904 1.00 0.36 O ATOM 111 CB ILE A 9 -6.335 8.911 6.955 1.00 0.42 C ATOM 112 CG1 ILE A 9 -4.987 8.313 6.547 1.00 0.44 C ATOM 113 CG2 ILE A 9 -7.093 7.951 7.864 1.00 0.51 C ATOM 114 CD1 ILE A 9 -4.028 8.127 7.704 1.00 0.54 C ATOM 0 H ILE A 9 -5.710 10.700 5.334 1.00 0.33 H new ATOM 0 HA ILE A 9 -7.224 8.360 5.073 1.00 0.33 H new ATOM 0 HB ILE A 9 -6.154 9.832 7.509 1.00 0.42 H new ATOM 0 HG12 ILE A 9 -5.157 7.348 6.069 1.00 0.44 H new ATOM 0 HG13 ILE A 9 -4.523 8.960 5.803 1.00 0.44 H new ATOM 0 HG21 ILE A 9 -6.487 7.726 8.742 1.00 0.51 H new ATOM 0 HG22 ILE A 9 -8.030 8.411 8.178 1.00 0.51 H new ATOM 0 HG23 ILE A 9 -7.305 7.029 7.323 1.00 0.51 H new ATOM 0 HD11 ILE A 9 -3.095 7.699 7.338 1.00 0.54 H new ATOM 0 HD12 ILE A 9 -3.827 9.092 8.169 1.00 0.54 H new ATOM 0 HD13 ILE A 9 -4.471 7.456 8.439 1.00 0.54 H new ATOM 126 N ALA A 10 -8.676 10.833 6.721 1.00 0.36 N ATOM 127 CA ALA A 10 -9.956 11.351 7.180 1.00 0.40 C ATOM 128 C ALA A 10 -10.933 11.530 6.020 1.00 0.35 C ATOM 129 O ALA A 10 -12.149 11.473 6.208 1.00 0.36 O ATOM 130 CB ALA A 10 -9.747 12.671 7.906 1.00 0.50 C ATOM 0 H ALA A 10 -7.885 11.451 6.900 1.00 0.36 H new ATOM 0 HA ALA A 10 -10.391 10.626 7.868 1.00 0.40 H new ATOM 0 HB1 ALA A 10 -10.708 13.055 8.248 1.00 0.50 H new ATOM 0 HB2 ALA A 10 -9.093 12.515 8.764 1.00 0.50 H new ATOM 0 HB3 ALA A 10 -9.290 13.391 7.227 1.00 0.50 H new ATOM 136 N GLU A 11 -10.398 11.737 4.820 1.00 0.33 N ATOM 137 CA GLU A 11 -11.234 11.940 3.639 1.00 0.33 C ATOM 138 C GLU A 11 -11.965 10.660 3.231 1.00 0.27 C ATOM 139 O GLU A 11 -13.197 10.639 3.157 1.00 0.28 O ATOM 140 CB GLU A 11 -10.382 12.448 2.473 1.00 0.37 C ATOM 141 CG GLU A 11 -11.156 12.609 1.176 1.00 0.41 C ATOM 142 CD GLU A 11 -10.312 13.193 0.060 1.00 1.27 C ATOM 143 OE1 GLU A 11 -9.592 12.421 -0.607 1.00 2.27 O ATOM 144 OE2 GLU A 11 -10.373 14.423 -0.149 1.00 1.19 O ATOM 0 H GLU A 11 -9.395 11.769 4.639 1.00 0.33 H new ATOM 0 HA GLU A 11 -11.987 12.685 3.894 1.00 0.33 H new ATOM 0 HB2 GLU A 11 -9.944 13.408 2.746 1.00 0.37 H new ATOM 0 HB3 GLU A 11 -9.556 11.756 2.309 1.00 0.37 H new ATOM 0 HG2 GLU A 11 -11.541 11.638 0.865 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -12.018 13.253 1.350 1.00 0.41 H new ATOM 151 N PHE A 12 -11.215 9.589 2.980 1.00 0.23 N ATOM 152 CA PHE A 12 -11.831 8.332 2.576 1.00 0.22 C ATOM 153 C PHE A 12 -12.459 7.625 3.771 1.00 0.19 C ATOM 154 O PHE A 12 -13.364 6.807 3.609 1.00 0.20 O ATOM 155 CB PHE A 12 -10.828 7.419 1.855 1.00 0.26 C ATOM 156 CG PHE A 12 -9.668 6.956 2.694 1.00 0.25 C ATOM 157 CD1 PHE A 12 -9.878 6.121 3.779 1.00 0.31 C ATOM 158 CD2 PHE A 12 -8.376 7.368 2.411 1.00 0.27 C ATOM 159 CE1 PHE A 12 -8.821 5.703 4.562 1.00 0.37 C ATOM 160 CE2 PHE A 12 -7.315 6.952 3.187 1.00 0.30 C ATOM 161 CZ PHE A 12 -7.519 6.086 4.220 1.00 0.35 C ATOM 0 H PHE A 12 -10.198 9.567 3.048 1.00 0.23 H new ATOM 0 HA PHE A 12 -12.625 8.566 1.867 1.00 0.22 H new ATOM 0 HB2 PHE A 12 -11.360 6.543 1.483 1.00 0.26 H new ATOM 0 HB3 PHE A 12 -10.439 7.948 0.985 1.00 0.26 H new ATOM 0 HD1 PHE A 12 -10.880 5.793 4.015 1.00 0.31 H new ATOM 0 HD2 PHE A 12 -8.198 8.024 1.572 1.00 0.27 H new ATOM 0 HE1 PHE A 12 -8.997 5.086 5.431 1.00 0.37 H new ATOM 0 HE2 PHE A 12 -6.319 7.313 2.976 1.00 0.30 H new ATOM 0 HZ PHE A 12 -6.677 5.696 4.773 1.00 0.35 H new ATOM 171 N LYS A 13 -11.971 7.936 4.971 1.00 0.19 N ATOM 172 CA LYS A 13 -12.515 7.336 6.183 1.00 0.22 C ATOM 173 C LYS A 13 -13.946 7.815 6.378 1.00 0.21 C ATOM 174 O LYS A 13 -14.806 7.074 6.854 1.00 0.23 O ATOM 175 CB LYS A 13 -11.652 7.676 7.405 1.00 0.28 C ATOM 176 CG LYS A 13 -12.361 7.472 8.737 1.00 0.32 C ATOM 177 CD LYS A 13 -12.726 6.012 8.961 1.00 0.33 C ATOM 178 CE LYS A 13 -13.615 5.840 10.183 1.00 0.48 C ATOM 179 NZ LYS A 13 -12.928 6.261 11.435 1.00 1.23 N ATOM 0 H LYS A 13 -11.207 8.594 5.127 1.00 0.19 H new ATOM 0 HA LYS A 13 -12.510 6.251 6.076 1.00 0.22 H new ATOM 0 HB2 LYS A 13 -10.753 7.060 7.385 1.00 0.28 H new ATOM 0 HB3 LYS A 13 -11.329 8.714 7.332 1.00 0.28 H new ATOM 0 HG2 LYS A 13 -11.718 7.815 9.548 1.00 0.32 H new ATOM 0 HG3 LYS A 13 -13.264 8.082 8.766 1.00 0.32 H new ATOM 0 HD2 LYS A 13 -13.238 5.625 8.080 1.00 0.33 H new ATOM 0 HD3 LYS A 13 -11.817 5.424 9.086 1.00 0.33 H new ATOM 0 HE2 LYS A 13 -14.525 6.425 10.054 1.00 0.48 H new ATOM 0 HE3 LYS A 13 -13.917 4.796 10.268 1.00 0.48 H new ATOM 0 HZ1 LYS A 13 -13.542 6.065 12.251 1.00 1.23 H new ATOM 0 HZ2 LYS A 13 -12.038 5.733 11.537 1.00 1.23 H new ATOM 0 HZ3 LYS A 13 -12.723 7.280 11.393 1.00 1.23 H new ATOM 193 N ASP A 14 -14.192 9.069 6.011 1.00 0.23 N ATOM 194 CA ASP A 14 -15.527 9.638 6.104 1.00 0.25 C ATOM 195 C ASP A 14 -16.425 8.948 5.089 1.00 0.22 C ATOM 196 O ASP A 14 -17.519 8.479 5.411 1.00 0.23 O ATOM 197 CB ASP A 14 -15.487 11.145 5.838 1.00 0.31 C ATOM 198 CG ASP A 14 -16.844 11.799 6.009 1.00 0.37 C ATOM 199 OD1 ASP A 14 -17.199 12.138 7.158 1.00 0.44 O ATOM 200 OD2 ASP A 14 -17.552 11.972 4.995 1.00 0.41 O ATOM 0 H ASP A 14 -13.484 9.707 5.648 1.00 0.23 H new ATOM 0 HA ASP A 14 -15.920 9.483 7.109 1.00 0.25 H new ATOM 0 HB2 ASP A 14 -14.774 11.612 6.517 1.00 0.31 H new ATOM 0 HB3 ASP A 14 -15.126 11.323 4.825 1.00 0.31 H new ATOM 205 N ALA A 15 -15.939 8.881 3.853 1.00 0.22 N ATOM 206 CA ALA A 15 -16.671 8.229 2.780 1.00 0.24 C ATOM 207 C ALA A 15 -16.824 6.738 3.068 1.00 0.22 C ATOM 208 O ALA A 15 -17.619 6.049 2.430 1.00 0.29 O ATOM 209 CB ALA A 15 -15.961 8.443 1.453 1.00 0.27 C ATOM 0 H ALA A 15 -15.040 9.272 3.573 1.00 0.22 H new ATOM 0 HA ALA A 15 -17.665 8.672 2.718 1.00 0.24 H new ATOM 0 HB1 ALA A 15 -16.520 7.950 0.658 1.00 0.27 H new ATOM 0 HB2 ALA A 15 -15.897 9.511 1.243 1.00 0.27 H new ATOM 0 HB3 ALA A 15 -14.957 8.023 1.506 1.00 0.27 H new ATOM 215 N PHE A 16 -16.052 6.252 4.038 1.00 0.20 N ATOM 216 CA PHE A 16 -16.083 4.844 4.419 1.00 0.22 C ATOM 217 C PHE A 16 -17.276 4.553 5.319 1.00 0.22 C ATOM 218 O PHE A 16 -18.024 3.605 5.084 1.00 0.25 O ATOM 219 CB PHE A 16 -14.779 4.462 5.127 1.00 0.26 C ATOM 220 CG PHE A 16 -14.774 3.068 5.689 1.00 0.31 C ATOM 221 CD1 PHE A 16 -14.524 1.981 4.868 1.00 0.38 C ATOM 222 CD2 PHE A 16 -15.024 2.847 7.033 1.00 0.37 C ATOM 223 CE1 PHE A 16 -14.521 0.697 5.378 1.00 0.46 C ATOM 224 CE2 PHE A 16 -15.024 1.565 7.548 1.00 0.45 C ATOM 225 CZ PHE A 16 -14.758 0.496 6.736 1.00 0.48 C ATOM 0 H PHE A 16 -15.395 6.817 4.576 1.00 0.20 H new ATOM 0 HA PHE A 16 -16.184 4.245 3.514 1.00 0.22 H new ATOM 0 HB2 PHE A 16 -13.953 4.562 4.423 1.00 0.26 H new ATOM 0 HB3 PHE A 16 -14.596 5.169 5.936 1.00 0.26 H new ATOM 0 HD1 PHE A 16 -14.329 2.139 3.817 1.00 0.38 H new ATOM 0 HD2 PHE A 16 -15.221 3.685 7.685 1.00 0.37 H new ATOM 0 HE1 PHE A 16 -14.336 -0.145 4.728 1.00 0.46 H new ATOM 0 HE2 PHE A 16 -15.235 1.406 8.595 1.00 0.45 H new ATOM 0 HZ PHE A 16 -14.732 -0.502 7.147 1.00 0.48 H new ATOM 235 N VAL A 17 -17.453 5.375 6.345 1.00 0.22 N ATOM 236 CA VAL A 17 -18.562 5.197 7.270 1.00 0.23 C ATOM 237 C VAL A 17 -19.885 5.483 6.574 1.00 0.23 C ATOM 238 O VAL A 17 -20.944 5.043 7.021 1.00 0.26 O ATOM 239 CB VAL A 17 -18.423 6.107 8.506 1.00 0.30 C ATOM 240 CG1 VAL A 17 -17.239 5.675 9.356 1.00 1.11 C ATOM 241 CG2 VAL A 17 -18.284 7.563 8.091 1.00 0.91 C ATOM 0 H VAL A 17 -16.846 6.167 6.556 1.00 0.22 H new ATOM 0 HA VAL A 17 -18.543 4.160 7.605 1.00 0.23 H new ATOM 0 HB VAL A 17 -19.329 6.011 9.105 1.00 0.30 H new ATOM 0 HG11 VAL A 17 -17.157 6.329 10.224 1.00 1.11 H new ATOM 0 HG12 VAL A 17 -17.385 4.647 9.688 1.00 1.11 H new ATOM 0 HG13 VAL A 17 -16.325 5.739 8.766 1.00 1.11 H new ATOM 0 HG21 VAL A 17 -18.187 8.187 8.980 1.00 0.91 H new ATOM 0 HG22 VAL A 17 -17.398 7.680 7.467 1.00 0.91 H new ATOM 0 HG23 VAL A 17 -19.167 7.867 7.529 1.00 0.91 H new ATOM 251 N GLN A 18 -19.812 6.226 5.474 1.00 0.24 N ATOM 252 CA GLN A 18 -20.998 6.565 4.700 1.00 0.29 C ATOM 253 C GLN A 18 -21.701 5.312 4.176 1.00 0.32 C ATOM 254 O GLN A 18 -22.925 5.287 4.051 1.00 0.43 O ATOM 255 CB GLN A 18 -20.625 7.475 3.528 1.00 0.33 C ATOM 256 CG GLN A 18 -20.290 8.900 3.942 1.00 0.34 C ATOM 257 CD GLN A 18 -21.462 9.612 4.587 1.00 1.09 C ATOM 258 OE1 GLN A 18 -22.621 9.333 4.279 1.00 1.54 O ATOM 259 NE2 GLN A 18 -21.164 10.541 5.489 1.00 1.60 N ATOM 0 H GLN A 18 -18.942 6.605 5.099 1.00 0.24 H new ATOM 0 HA GLN A 18 -21.686 7.090 5.363 1.00 0.29 H new ATOM 0 HB2 GLN A 18 -19.769 7.047 3.006 1.00 0.33 H new ATOM 0 HB3 GLN A 18 -21.453 7.497 2.819 1.00 0.33 H new ATOM 0 HG2 GLN A 18 -19.452 8.884 4.638 1.00 0.34 H new ATOM 0 HG3 GLN A 18 -19.966 9.462 3.066 1.00 0.34 H new ATOM 0 HE21 GLN A 18 -20.189 10.740 5.714 1.00 1.60 H new ATOM 0 HE22 GLN A 18 -21.910 11.055 5.957 1.00 1.60 H new ATOM 268 N PHE A 19 -20.924 4.271 3.870 1.00 0.28 N ATOM 269 CA PHE A 19 -21.491 3.026 3.352 1.00 0.33 C ATOM 270 C PHE A 19 -21.755 2.019 4.467 1.00 0.35 C ATOM 271 O PHE A 19 -22.163 0.887 4.204 1.00 0.64 O ATOM 272 CB PHE A 19 -20.568 2.405 2.299 1.00 0.36 C ATOM 273 CG PHE A 19 -20.542 3.168 1.005 1.00 0.37 C ATOM 274 CD1 PHE A 19 -19.644 4.205 0.813 1.00 0.41 C ATOM 275 CD2 PHE A 19 -21.420 2.847 -0.018 1.00 0.48 C ATOM 276 CE1 PHE A 19 -19.622 4.908 -0.376 1.00 0.44 C ATOM 277 CE2 PHE A 19 -21.403 3.548 -1.209 1.00 0.54 C ATOM 278 CZ PHE A 19 -20.502 4.580 -1.389 1.00 0.47 C ATOM 0 H PHE A 19 -19.909 4.265 3.971 1.00 0.28 H new ATOM 0 HA PHE A 19 -22.445 3.276 2.888 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -19.556 2.350 2.700 1.00 0.36 H new ATOM 0 HB3 PHE A 19 -20.889 1.382 2.103 1.00 0.36 H new ATOM 0 HD1 PHE A 19 -18.954 4.467 1.601 1.00 0.41 H new ATOM 0 HD2 PHE A 19 -22.125 2.040 0.117 1.00 0.48 H new ATOM 0 HE1 PHE A 19 -18.917 5.714 -0.514 1.00 0.44 H new ATOM 0 HE2 PHE A 19 -22.093 3.289 -1.998 1.00 0.54 H new ATOM 0 HZ PHE A 19 -20.486 5.129 -2.319 1.00 0.47 H new ATOM 288 N ASP A 20 -21.523 2.428 5.710 1.00 0.29 N ATOM 289 CA ASP A 20 -21.749 1.548 6.851 1.00 0.28 C ATOM 290 C ASP A 20 -23.061 1.895 7.547 1.00 0.37 C ATOM 291 O ASP A 20 -23.088 2.682 8.493 1.00 0.44 O ATOM 292 CB ASP A 20 -20.590 1.639 7.843 1.00 0.25 C ATOM 293 CG ASP A 20 -20.781 0.720 9.033 1.00 0.27 C ATOM 294 OD1 ASP A 20 -20.896 -0.508 8.824 1.00 0.29 O ATOM 295 OD2 ASP A 20 -20.816 1.224 10.175 1.00 0.33 O ATOM 0 H ASP A 20 -21.181 3.358 5.952 1.00 0.29 H new ATOM 0 HA ASP A 20 -21.810 0.525 6.480 1.00 0.28 H new ATOM 0 HB2 ASP A 20 -19.659 1.385 7.336 1.00 0.25 H new ATOM 0 HB3 ASP A 20 -20.493 2.667 8.192 1.00 0.25 H new ATOM 300 N LYS A 21 -24.148 1.301 7.066 1.00 0.47 N ATOM 301 CA LYS A 21 -25.471 1.542 7.633 1.00 0.59 C ATOM 302 C LYS A 21 -25.858 0.448 8.622 1.00 0.64 C ATOM 303 O LYS A 21 -26.795 0.608 9.403 1.00 0.83 O ATOM 304 CB LYS A 21 -26.511 1.618 6.518 1.00 0.68 C ATOM 305 CG LYS A 21 -26.341 2.831 5.619 1.00 1.02 C ATOM 306 CD LYS A 21 -26.772 4.110 6.320 1.00 1.14 C ATOM 307 CE LYS A 21 -26.613 5.321 5.415 1.00 1.67 C ATOM 308 NZ LYS A 21 -27.045 6.577 6.089 1.00 2.10 N ATOM 0 H LYS A 21 -24.139 0.648 6.283 1.00 0.47 H new ATOM 0 HA LYS A 21 -25.438 2.491 8.169 1.00 0.59 H new ATOM 0 HB2 LYS A 21 -26.450 0.714 5.912 1.00 0.68 H new ATOM 0 HB3 LYS A 21 -27.507 1.639 6.960 1.00 0.68 H new ATOM 0 HG2 LYS A 21 -25.298 2.916 5.314 1.00 1.02 H new ATOM 0 HG3 LYS A 21 -26.929 2.697 4.711 1.00 1.02 H new ATOM 0 HD2 LYS A 21 -27.812 4.022 6.633 1.00 1.14 H new ATOM 0 HD3 LYS A 21 -26.178 4.249 7.223 1.00 1.14 H new ATOM 0 HE2 LYS A 21 -25.570 5.412 5.110 1.00 1.67 H new ATOM 0 HE3 LYS A 21 -27.199 5.176 4.507 1.00 1.67 H new ATOM 0 HZ1 LYS A 21 -26.921 7.380 5.440 1.00 2.10 H new ATOM 0 HZ2 LYS A 21 -28.047 6.500 6.357 1.00 2.10 H new ATOM 0 HZ3 LYS A 21 -26.469 6.729 6.941 1.00 2.10 H new ATOM 322 N GLU A 22 -25.129 -0.661 8.585 1.00 0.58 N ATOM 323 CA GLU A 22 -25.403 -1.785 9.472 1.00 0.63 C ATOM 324 C GLU A 22 -24.750 -1.588 10.837 1.00 0.60 C ATOM 325 O GLU A 22 -24.856 -2.445 11.715 1.00 0.80 O ATOM 326 CB GLU A 22 -24.918 -3.085 8.832 1.00 0.62 C ATOM 327 CG GLU A 22 -25.580 -3.383 7.496 1.00 0.71 C ATOM 328 CD GLU A 22 -27.059 -3.685 7.634 1.00 0.98 C ATOM 329 OE1 GLU A 22 -27.867 -2.734 7.576 1.00 1.80 O ATOM 330 OE2 GLU A 22 -27.411 -4.872 7.799 1.00 0.96 O ATOM 0 H GLU A 22 -24.344 -0.806 7.950 1.00 0.58 H new ATOM 0 HA GLU A 22 -26.481 -1.842 9.625 1.00 0.63 H new ATOM 0 HB2 GLU A 22 -23.839 -3.031 8.690 1.00 0.62 H new ATOM 0 HB3 GLU A 22 -25.109 -3.912 9.516 1.00 0.62 H new ATOM 0 HG2 GLU A 22 -25.447 -2.530 6.831 1.00 0.71 H new ATOM 0 HG3 GLU A 22 -25.081 -4.232 7.029 1.00 0.71 H new ATOM 337 N GLY A 23 -24.077 -0.453 11.010 1.00 0.45 N ATOM 338 CA GLY A 23 -23.422 -0.157 12.272 1.00 0.46 C ATOM 339 C GLY A 23 -22.309 -1.132 12.606 1.00 0.39 C ATOM 340 O GLY A 23 -21.861 -1.201 13.751 1.00 0.45 O ATOM 0 H GLY A 23 -23.974 0.268 10.296 1.00 0.45 H new ATOM 0 HA2 GLY A 23 -23.014 0.853 12.235 1.00 0.46 H new ATOM 0 HA3 GLY A 23 -24.163 -0.172 13.072 1.00 0.46 H new ATOM 344 N THR A 24 -21.860 -1.887 11.609 1.00 0.34 N ATOM 345 CA THR A 24 -20.790 -2.858 11.809 1.00 0.30 C ATOM 346 C THR A 24 -19.428 -2.246 11.501 1.00 0.28 C ATOM 347 O THR A 24 -18.417 -2.949 11.467 1.00 0.29 O ATOM 348 CB THR A 24 -20.991 -4.105 10.926 1.00 0.32 C ATOM 349 OG1 THR A 24 -21.114 -3.719 9.552 1.00 0.33 O ATOM 350 CG2 THR A 24 -22.230 -4.878 11.353 1.00 0.40 C ATOM 0 H THR A 24 -22.220 -1.846 10.655 1.00 0.34 H new ATOM 0 HA THR A 24 -20.824 -3.154 12.857 1.00 0.30 H new ATOM 0 HB THR A 24 -20.121 -4.750 11.045 1.00 0.32 H new ATOM 0 HG1 THR A 24 -20.938 -2.759 9.465 1.00 0.33 H new ATOM 0 HG21 THR A 24 -22.350 -5.753 10.715 1.00 0.40 H new ATOM 0 HG22 THR A 24 -22.121 -5.197 12.390 1.00 0.40 H new ATOM 0 HG23 THR A 24 -23.108 -4.238 11.261 1.00 0.40 H new ATOM 358 N GLY A 25 -19.407 -0.933 11.281 1.00 0.30 N ATOM 359 CA GLY A 25 -18.163 -0.250 10.972 1.00 0.32 C ATOM 360 C GLY A 25 -17.486 -0.838 9.751 1.00 0.28 C ATOM 361 O GLY A 25 -16.292 -0.630 9.528 1.00 0.33 O ATOM 0 H GLY A 25 -20.230 -0.331 11.311 1.00 0.30 H new ATOM 0 HA2 GLY A 25 -18.362 0.808 10.803 1.00 0.32 H new ATOM 0 HA3 GLY A 25 -17.490 -0.315 11.827 1.00 0.32 H new ATOM 365 N LYS A 26 -18.258 -1.574 8.962 1.00 0.22 N ATOM 366 CA LYS A 26 -17.750 -2.213 7.759 1.00 0.19 C ATOM 367 C LYS A 26 -18.608 -1.860 6.546 1.00 0.20 C ATOM 368 O LYS A 26 -19.782 -1.521 6.682 1.00 0.23 O ATOM 369 CB LYS A 26 -17.709 -3.727 7.966 1.00 0.20 C ATOM 370 CG LYS A 26 -16.557 -4.175 8.853 1.00 0.25 C ATOM 371 CD LYS A 26 -16.941 -5.347 9.743 1.00 0.62 C ATOM 372 CE LYS A 26 -17.266 -6.591 8.932 1.00 0.62 C ATOM 373 NZ LYS A 26 -17.579 -7.756 9.804 1.00 1.10 N ATOM 0 H LYS A 26 -19.248 -1.743 9.138 1.00 0.22 H new ATOM 0 HA LYS A 26 -16.741 -1.848 7.567 1.00 0.19 H new ATOM 0 HB2 LYS A 26 -18.650 -4.053 8.410 1.00 0.20 H new ATOM 0 HB3 LYS A 26 -17.626 -4.219 6.997 1.00 0.20 H new ATOM 0 HG2 LYS A 26 -15.709 -4.457 8.229 1.00 0.25 H new ATOM 0 HG3 LYS A 26 -16.233 -3.340 9.474 1.00 0.25 H new ATOM 0 HD2 LYS A 26 -16.123 -5.565 10.430 1.00 0.62 H new ATOM 0 HD3 LYS A 26 -17.804 -5.074 10.351 1.00 0.62 H new ATOM 0 HE2 LYS A 26 -18.115 -6.387 8.280 1.00 0.62 H new ATOM 0 HE3 LYS A 26 -16.421 -6.836 8.288 1.00 0.62 H new ATOM 0 HZ1 LYS A 26 -17.795 -8.584 9.213 1.00 1.10 H new ATOM 0 HZ2 LYS A 26 -16.760 -7.967 10.409 1.00 1.10 H new ATOM 0 HZ3 LYS A 26 -18.401 -7.532 10.400 1.00 1.10 H new ATOM 387 N ILE A 27 -18.011 -1.939 5.359 1.00 0.22 N ATOM 388 CA ILE A 27 -18.718 -1.622 4.121 1.00 0.26 C ATOM 389 C ILE A 27 -18.827 -2.841 3.208 1.00 0.24 C ATOM 390 O ILE A 27 -17.857 -3.571 3.009 1.00 0.25 O ATOM 391 CB ILE A 27 -18.018 -0.483 3.357 1.00 0.34 C ATOM 392 CG1 ILE A 27 -16.580 -0.875 3.011 1.00 0.40 C ATOM 393 CG2 ILE A 27 -18.043 0.794 4.184 1.00 0.33 C ATOM 394 CD1 ILE A 27 -15.868 0.134 2.139 1.00 0.50 C ATOM 0 H ILE A 27 -17.039 -2.220 5.229 1.00 0.22 H new ATOM 0 HA ILE A 27 -19.721 -1.303 4.406 1.00 0.26 H new ATOM 0 HB ILE A 27 -18.555 -0.304 2.425 1.00 0.34 H new ATOM 0 HG12 ILE A 27 -16.016 -1.006 3.935 1.00 0.40 H new ATOM 0 HG13 ILE A 27 -16.588 -1.839 2.503 1.00 0.40 H new ATOM 0 HG21 ILE A 27 -17.545 1.593 3.635 1.00 0.33 H new ATOM 0 HG22 ILE A 27 -19.076 1.079 4.382 1.00 0.33 H new ATOM 0 HG23 ILE A 27 -17.525 0.626 5.128 1.00 0.33 H new ATOM 0 HD11 ILE A 27 -14.854 -0.212 1.936 1.00 0.50 H new ATOM 0 HD12 ILE A 27 -16.408 0.248 1.199 1.00 0.50 H new ATOM 0 HD13 ILE A 27 -15.827 1.094 2.653 1.00 0.50 H new ATOM 406 N ALA A 28 -20.019 -3.055 2.658 1.00 0.26 N ATOM 407 CA ALA A 28 -20.265 -4.184 1.766 1.00 0.26 C ATOM 408 C ALA A 28 -19.256 -4.216 0.622 1.00 0.23 C ATOM 409 O ALA A 28 -18.916 -3.179 0.053 1.00 0.25 O ATOM 410 CB ALA A 28 -21.682 -4.119 1.218 1.00 0.30 C ATOM 0 H ALA A 28 -20.832 -2.459 2.815 1.00 0.26 H new ATOM 0 HA ALA A 28 -20.147 -5.102 2.342 1.00 0.26 H new ATOM 0 HB1 ALA A 28 -21.854 -4.966 0.554 1.00 0.30 H new ATOM 0 HB2 ALA A 28 -22.393 -4.154 2.043 1.00 0.30 H new ATOM 0 HB3 ALA A 28 -21.815 -3.190 0.664 1.00 0.30 H new ATOM 416 N THR A 29 -18.786 -5.416 0.290 1.00 0.27 N ATOM 417 CA THR A 29 -17.814 -5.587 -0.785 1.00 0.30 C ATOM 418 C THR A 29 -18.439 -5.295 -2.143 1.00 0.29 C ATOM 419 O THR A 29 -17.754 -5.284 -3.165 1.00 0.39 O ATOM 420 CB THR A 29 -17.225 -7.012 -0.791 1.00 0.37 C ATOM 421 OG1 THR A 29 -16.292 -7.152 -1.870 1.00 1.03 O ATOM 422 CG2 THR A 29 -18.323 -8.054 -0.927 1.00 0.96 C ATOM 0 H THR A 29 -19.063 -6.283 0.750 1.00 0.27 H new ATOM 0 HA THR A 29 -17.010 -4.874 -0.601 1.00 0.30 H new ATOM 0 HB THR A 29 -16.712 -7.171 0.157 1.00 0.37 H new ATOM 0 HG1 THR A 29 -16.149 -8.103 -2.058 1.00 1.03 H new ATOM 0 HG21 THR A 29 -17.881 -9.050 -0.929 1.00 0.96 H new ATOM 0 HG22 THR A 29 -19.015 -7.965 -0.089 1.00 0.96 H new ATOM 0 HG23 THR A 29 -18.862 -7.895 -1.861 1.00 0.96 H new ATOM 430 N ARG A 30 -19.744 -5.054 -2.142 1.00 0.25 N ATOM 431 CA ARG A 30 -20.472 -4.754 -3.367 1.00 0.29 C ATOM 432 C ARG A 30 -20.641 -3.247 -3.529 1.00 0.28 C ATOM 433 O ARG A 30 -21.312 -2.780 -4.451 1.00 0.44 O ATOM 434 CB ARG A 30 -21.840 -5.435 -3.341 1.00 0.35 C ATOM 435 CG ARG A 30 -21.768 -6.924 -3.045 1.00 0.43 C ATOM 436 CD ARG A 30 -23.070 -7.433 -2.448 1.00 0.83 C ATOM 437 NE ARG A 30 -24.201 -7.229 -3.348 1.00 1.56 N ATOM 438 CZ ARG A 30 -25.470 -7.390 -2.985 1.00 2.17 C ATOM 439 NH1 ARG A 30 -25.768 -7.753 -1.745 1.00 2.25 N ATOM 440 NH2 ARG A 30 -26.443 -7.186 -3.864 1.00 3.08 N ATOM 0 H ARG A 30 -20.322 -5.061 -1.302 1.00 0.25 H new ATOM 0 HA ARG A 30 -19.902 -5.133 -4.215 1.00 0.29 H new ATOM 0 HB2 ARG A 30 -22.464 -4.952 -2.588 1.00 0.35 H new ATOM 0 HB3 ARG A 30 -22.330 -5.287 -4.303 1.00 0.35 H new ATOM 0 HG2 ARG A 30 -21.549 -7.469 -3.963 1.00 0.43 H new ATOM 0 HG3 ARG A 30 -20.948 -7.120 -2.354 1.00 0.43 H new ATOM 0 HD2 ARG A 30 -22.974 -8.495 -2.221 1.00 0.83 H new ATOM 0 HD3 ARG A 30 -23.261 -6.921 -1.505 1.00 0.83 H new ATOM 0 HE ARG A 30 -24.007 -6.947 -4.309 1.00 1.56 H new ATOM 0 HH11 ARG A 30 -25.023 -7.910 -1.066 1.00 2.25 H new ATOM 0 HH12 ARG A 30 -26.742 -7.876 -1.470 1.00 2.25 H new ATOM 0 HH21 ARG A 30 -26.218 -6.906 -4.818 1.00 3.08 H new ATOM 0 HH22 ARG A 30 -27.416 -7.310 -3.585 1.00 3.08 H new ATOM 454 N GLU A 31 -20.030 -2.494 -2.620 1.00 0.22 N ATOM 455 CA GLU A 31 -20.108 -1.039 -2.650 1.00 0.23 C ATOM 456 C GLU A 31 -18.717 -0.420 -2.573 1.00 0.21 C ATOM 457 O GLU A 31 -18.568 0.801 -2.609 1.00 0.21 O ATOM 458 CB GLU A 31 -20.966 -0.530 -1.492 1.00 0.30 C ATOM 459 CG GLU A 31 -22.370 -1.111 -1.474 1.00 0.32 C ATOM 460 CD GLU A 31 -23.215 -0.554 -0.344 1.00 1.30 C ATOM 461 OE1 GLU A 31 -23.120 -1.082 0.784 1.00 2.26 O ATOM 462 OE2 GLU A 31 -23.971 0.409 -0.588 1.00 1.40 O ATOM 0 H GLU A 31 -19.474 -2.869 -1.852 1.00 0.22 H new ATOM 0 HA GLU A 31 -20.568 -0.744 -3.593 1.00 0.23 H new ATOM 0 HB2 GLU A 31 -20.471 -0.770 -0.551 1.00 0.30 H new ATOM 0 HB3 GLU A 31 -21.032 0.556 -1.550 1.00 0.30 H new ATOM 0 HG2 GLU A 31 -22.858 -0.902 -2.426 1.00 0.32 H new ATOM 0 HG3 GLU A 31 -22.310 -2.195 -1.378 1.00 0.32 H new ATOM 469 N LEU A 32 -17.700 -1.273 -2.463 1.00 0.21 N ATOM 470 CA LEU A 32 -16.320 -0.810 -2.384 1.00 0.24 C ATOM 471 C LEU A 32 -15.986 0.079 -3.577 1.00 0.23 C ATOM 472 O LEU A 32 -15.530 1.212 -3.410 1.00 0.25 O ATOM 473 CB LEU A 32 -15.365 -2.007 -2.324 1.00 0.29 C ATOM 474 CG LEU A 32 -13.934 -1.705 -1.852 1.00 0.44 C ATOM 475 CD1 LEU A 32 -13.128 -1.035 -2.955 1.00 1.04 C ATOM 476 CD2 LEU A 32 -13.951 -0.834 -0.605 1.00 1.37 C ATOM 0 H LEU A 32 -17.808 -2.287 -2.427 1.00 0.21 H new ATOM 0 HA LEU A 32 -16.201 -0.222 -1.474 1.00 0.24 H new ATOM 0 HB2 LEU A 32 -15.795 -2.756 -1.659 1.00 0.29 H new ATOM 0 HB3 LEU A 32 -15.312 -2.454 -3.317 1.00 0.29 H new ATOM 0 HG LEU A 32 -13.455 -2.653 -1.606 1.00 0.44 H new ATOM 0 HD11 LEU A 32 -12.119 -0.832 -2.596 1.00 1.04 H new ATOM 0 HD12 LEU A 32 -13.079 -1.694 -3.822 1.00 1.04 H new ATOM 0 HD13 LEU A 32 -13.608 -0.098 -3.239 1.00 1.04 H new ATOM 0 HD21 LEU A 32 -12.928 -0.632 -0.288 1.00 1.37 H new ATOM 0 HD22 LEU A 32 -14.455 0.107 -0.825 1.00 1.37 H new ATOM 0 HD23 LEU A 32 -14.483 -1.352 0.193 1.00 1.37 H new ATOM 488 N GLY A 33 -16.217 -0.440 -4.779 1.00 0.25 N ATOM 489 CA GLY A 33 -15.945 0.328 -5.979 1.00 0.28 C ATOM 490 C GLY A 33 -16.679 1.652 -5.978 1.00 0.27 C ATOM 491 O GLY A 33 -16.117 2.682 -6.349 1.00 0.32 O ATOM 0 H GLY A 33 -16.587 -1.376 -4.943 1.00 0.25 H new ATOM 0 HA2 GLY A 33 -14.873 0.507 -6.061 1.00 0.28 H new ATOM 0 HA3 GLY A 33 -16.239 -0.250 -6.855 1.00 0.28 H new ATOM 495 N THR A 34 -17.941 1.623 -5.553 1.00 0.23 N ATOM 496 CA THR A 34 -18.756 2.829 -5.487 1.00 0.24 C ATOM 497 C THR A 34 -18.064 3.887 -4.639 1.00 0.22 C ATOM 498 O THR A 34 -18.124 5.080 -4.939 1.00 0.23 O ATOM 499 CB THR A 34 -20.147 2.534 -4.892 1.00 0.26 C ATOM 500 OG1 THR A 34 -20.792 1.499 -5.644 1.00 0.31 O ATOM 501 CG2 THR A 34 -21.017 3.782 -4.894 1.00 0.29 C ATOM 0 H THR A 34 -18.419 0.775 -5.249 1.00 0.23 H new ATOM 0 HA THR A 34 -18.882 3.197 -6.505 1.00 0.24 H new ATOM 0 HB THR A 34 -20.012 2.207 -3.861 1.00 0.26 H new ATOM 0 HG1 THR A 34 -21.674 1.316 -5.259 1.00 0.31 H new ATOM 0 HG21 THR A 34 -21.993 3.546 -4.469 1.00 0.29 H new ATOM 0 HG22 THR A 34 -20.540 4.559 -4.297 1.00 0.29 H new ATOM 0 HG23 THR A 34 -21.143 4.136 -5.917 1.00 0.29 H new ATOM 509 N LEU A 35 -17.405 3.434 -3.578 1.00 0.22 N ATOM 510 CA LEU A 35 -16.683 4.324 -2.680 1.00 0.24 C ATOM 511 C LEU A 35 -15.516 4.973 -3.415 1.00 0.25 C ATOM 512 O LEU A 35 -15.182 6.135 -3.184 1.00 0.29 O ATOM 513 CB LEU A 35 -16.164 3.537 -1.472 1.00 0.29 C ATOM 514 CG LEU A 35 -16.075 4.309 -0.159 1.00 0.42 C ATOM 515 CD1 LEU A 35 -15.514 3.418 0.936 1.00 1.24 C ATOM 516 CD2 LEU A 35 -15.227 5.563 -0.314 1.00 1.16 C ATOM 0 H LEU A 35 -17.357 2.449 -3.319 1.00 0.22 H new ATOM 0 HA LEU A 35 -17.361 5.104 -2.334 1.00 0.24 H new ATOM 0 HB2 LEU A 35 -16.812 2.674 -1.320 1.00 0.29 H new ATOM 0 HB3 LEU A 35 -15.173 3.153 -1.712 1.00 0.29 H new ATOM 0 HG LEU A 35 -17.081 4.620 0.121 1.00 0.42 H new ATOM 0 HD11 LEU A 35 -15.455 3.980 1.868 1.00 1.24 H new ATOM 0 HD12 LEU A 35 -16.166 2.555 1.073 1.00 1.24 H new ATOM 0 HD13 LEU A 35 -14.517 3.078 0.654 1.00 1.24 H new ATOM 0 HD21 LEU A 35 -15.182 6.092 0.638 1.00 1.16 H new ATOM 0 HD22 LEU A 35 -14.219 5.285 -0.622 1.00 1.16 H new ATOM 0 HD23 LEU A 35 -15.671 6.212 -1.069 1.00 1.16 H new ATOM 528 N MET A 36 -14.895 4.207 -4.302 1.00 0.28 N ATOM 529 CA MET A 36 -13.765 4.699 -5.078 1.00 0.32 C ATOM 530 C MET A 36 -14.239 5.582 -6.227 1.00 0.30 C ATOM 531 O MET A 36 -13.473 6.384 -6.760 1.00 0.40 O ATOM 532 CB MET A 36 -12.946 3.522 -5.612 1.00 0.45 C ATOM 533 CG MET A 36 -12.792 2.392 -4.606 1.00 0.51 C ATOM 534 SD MET A 36 -11.639 1.116 -5.149 1.00 1.10 S ATOM 535 CE MET A 36 -10.082 1.990 -5.017 1.00 0.69 C ATOM 0 H MET A 36 -15.155 3.241 -4.502 1.00 0.28 H new ATOM 0 HA MET A 36 -13.134 5.303 -4.426 1.00 0.32 H new ATOM 0 HB2 MET A 36 -13.423 3.135 -6.513 1.00 0.45 H new ATOM 0 HB3 MET A 36 -11.958 3.878 -5.903 1.00 0.45 H new ATOM 0 HG2 MET A 36 -12.449 2.803 -3.656 1.00 0.51 H new ATOM 0 HG3 MET A 36 -13.767 1.939 -4.424 1.00 0.51 H new ATOM 0 HE1 MET A 36 -9.263 1.271 -4.986 1.00 0.69 H new ATOM 0 HE2 MET A 36 -9.958 2.645 -5.880 1.00 0.69 H new ATOM 0 HE3 MET A 36 -10.076 2.587 -4.105 1.00 0.69 H new ATOM 545 N ARG A 37 -15.507 5.433 -6.601 1.00 0.30 N ATOM 546 CA ARG A 37 -16.079 6.228 -7.681 1.00 0.34 C ATOM 547 C ARG A 37 -16.405 7.636 -7.193 1.00 0.33 C ATOM 548 O ARG A 37 -16.214 8.613 -7.918 1.00 0.43 O ATOM 549 CB ARG A 37 -17.340 5.560 -8.235 1.00 0.44 C ATOM 550 CG ARG A 37 -17.075 4.244 -8.941 1.00 0.64 C ATOM 551 CD ARG A 37 -18.369 3.594 -9.398 1.00 0.70 C ATOM 552 NE ARG A 37 -18.921 4.245 -10.584 1.00 1.40 N ATOM 553 CZ ARG A 37 -19.908 3.736 -11.316 1.00 1.73 C ATOM 554 NH1 ARG A 37 -20.456 2.574 -10.983 1.00 1.52 N ATOM 555 NH2 ARG A 37 -20.348 4.387 -12.383 1.00 2.69 N ATOM 0 H ARG A 37 -16.155 4.771 -6.173 1.00 0.30 H new ATOM 0 HA ARG A 37 -15.341 6.295 -8.480 1.00 0.34 H new ATOM 0 HB2 ARG A 37 -18.039 5.388 -7.416 1.00 0.44 H new ATOM 0 HB3 ARG A 37 -17.826 6.244 -8.931 1.00 0.44 H new ATOM 0 HG2 ARG A 37 -16.427 4.414 -9.801 1.00 0.64 H new ATOM 0 HG3 ARG A 37 -16.544 3.569 -8.270 1.00 0.64 H new ATOM 0 HD2 ARG A 37 -18.189 2.541 -9.614 1.00 0.70 H new ATOM 0 HD3 ARG A 37 -19.099 3.634 -8.590 1.00 0.70 H new ATOM 0 HE ARG A 37 -18.526 5.142 -10.867 1.00 1.40 H new ATOM 0 HH11 ARG A 37 -20.120 2.068 -10.163 1.00 1.52 H new ATOM 0 HH12 ARG A 37 -21.213 2.187 -11.547 1.00 1.52 H new ATOM 0 HH21 ARG A 37 -19.930 5.280 -12.644 1.00 2.69 H new ATOM 0 HH22 ARG A 37 -21.105 3.995 -12.943 1.00 2.69 H new ATOM 569 N THR A 38 -16.895 7.732 -5.960 1.00 0.31 N ATOM 570 CA THR A 38 -17.239 9.022 -5.372 1.00 0.39 C ATOM 571 C THR A 38 -15.984 9.824 -5.045 1.00 0.36 C ATOM 572 O THR A 38 -16.053 11.023 -4.775 1.00 0.43 O ATOM 573 CB THR A 38 -18.101 8.869 -4.102 1.00 0.50 C ATOM 574 OG1 THR A 38 -18.176 10.119 -3.405 1.00 1.06 O ATOM 575 CG2 THR A 38 -17.539 7.802 -3.179 1.00 0.61 C ATOM 0 H THR A 38 -17.062 6.932 -5.350 1.00 0.31 H new ATOM 0 HA THR A 38 -17.826 9.559 -6.117 1.00 0.39 H new ATOM 0 HB THR A 38 -19.100 8.563 -4.411 1.00 0.50 H new ATOM 0 HG1 THR A 38 -17.594 10.774 -3.844 1.00 1.06 H new ATOM 0 HG21 THR A 38 -18.169 7.718 -2.293 1.00 0.61 H new ATOM 0 HG22 THR A 38 -17.517 6.845 -3.700 1.00 0.61 H new ATOM 0 HG23 THR A 38 -16.527 8.076 -2.880 1.00 0.61 H new ATOM 583 N LEU A 39 -14.837 9.153 -5.075 1.00 0.30 N ATOM 584 CA LEU A 39 -13.560 9.799 -4.789 1.00 0.33 C ATOM 585 C LEU A 39 -12.684 9.839 -6.038 1.00 0.33 C ATOM 586 O LEU A 39 -12.853 9.035 -6.956 1.00 0.31 O ATOM 587 CB LEU A 39 -12.827 9.071 -3.659 1.00 0.38 C ATOM 588 CG LEU A 39 -13.177 9.538 -2.241 1.00 0.64 C ATOM 589 CD1 LEU A 39 -14.633 9.246 -1.918 1.00 1.26 C ATOM 590 CD2 LEU A 39 -12.262 8.874 -1.222 1.00 1.07 C ATOM 0 H LEU A 39 -14.765 8.160 -5.295 1.00 0.30 H new ATOM 0 HA LEU A 39 -13.764 10.822 -4.472 1.00 0.33 H new ATOM 0 HB2 LEU A 39 -13.043 8.005 -3.736 1.00 0.38 H new ATOM 0 HB3 LEU A 39 -11.754 9.191 -3.808 1.00 0.38 H new ATOM 0 HG LEU A 39 -13.028 10.617 -2.192 1.00 0.64 H new ATOM 0 HD11 LEU A 39 -14.857 9.586 -0.907 1.00 1.26 H new ATOM 0 HD12 LEU A 39 -15.275 9.769 -2.627 1.00 1.26 H new ATOM 0 HD13 LEU A 39 -14.813 8.173 -1.988 1.00 1.26 H new ATOM 0 HD21 LEU A 39 -12.524 9.216 -0.221 1.00 1.07 H new ATOM 0 HD22 LEU A 39 -12.380 7.792 -1.278 1.00 1.07 H new ATOM 0 HD23 LEU A 39 -11.226 9.138 -1.437 1.00 1.07 H new ATOM 602 N GLY A 40 -11.754 10.791 -6.060 1.00 0.42 N ATOM 603 CA GLY A 40 -10.865 10.962 -7.199 1.00 0.47 C ATOM 604 C GLY A 40 -10.192 9.680 -7.666 1.00 0.43 C ATOM 605 O GLY A 40 -9.735 9.606 -8.807 1.00 0.69 O ATOM 0 H GLY A 40 -11.599 11.454 -5.301 1.00 0.42 H new ATOM 0 HA2 GLY A 40 -11.433 11.383 -8.028 1.00 0.47 H new ATOM 0 HA3 GLY A 40 -10.095 11.688 -6.938 1.00 0.47 H new ATOM 609 N GLN A 41 -10.123 8.675 -6.799 1.00 0.44 N ATOM 610 CA GLN A 41 -9.492 7.409 -7.163 1.00 0.40 C ATOM 611 C GLN A 41 -10.208 6.758 -8.339 1.00 0.51 C ATOM 612 O GLN A 41 -11.437 6.764 -8.412 1.00 1.45 O ATOM 613 CB GLN A 41 -9.474 6.444 -5.975 1.00 0.48 C ATOM 614 CG GLN A 41 -8.449 6.800 -4.912 1.00 0.74 C ATOM 615 CD GLN A 41 -8.985 7.778 -3.888 1.00 1.06 C ATOM 616 OE1 GLN A 41 -10.178 7.793 -3.596 1.00 1.97 O ATOM 617 NE2 GLN A 41 -8.101 8.596 -3.331 1.00 1.30 N ATOM 0 H GLN A 41 -10.492 8.710 -5.849 1.00 0.44 H new ATOM 0 HA GLN A 41 -8.465 7.629 -7.455 1.00 0.40 H new ATOM 0 HB2 GLN A 41 -10.464 6.424 -5.520 1.00 0.48 H new ATOM 0 HB3 GLN A 41 -9.271 5.437 -6.340 1.00 0.48 H new ATOM 0 HG2 GLN A 41 -8.126 5.890 -4.405 1.00 0.74 H new ATOM 0 HG3 GLN A 41 -7.568 7.228 -5.391 1.00 0.74 H new ATOM 0 HE21 GLN A 41 -7.119 8.548 -3.604 1.00 1.30 H new ATOM 0 HE22 GLN A 41 -8.403 9.272 -2.630 1.00 1.30 H new ATOM 626 N ASN A 42 -9.431 6.196 -9.261 1.00 0.74 N ATOM 627 CA ASN A 42 -9.991 5.537 -10.434 1.00 0.68 C ATOM 628 C ASN A 42 -9.372 4.155 -10.632 1.00 0.53 C ATOM 629 O ASN A 42 -8.490 3.976 -11.473 1.00 0.62 O ATOM 630 CB ASN A 42 -9.772 6.384 -11.685 1.00 0.85 C ATOM 631 CG ASN A 42 -10.396 7.762 -11.572 1.00 1.87 C ATOM 632 OD1 ASN A 42 -11.407 7.946 -10.894 1.00 2.57 O ATOM 633 ND2 ASN A 42 -9.793 8.739 -12.240 1.00 2.66 N ATOM 0 H ASN A 42 -8.412 6.185 -9.217 1.00 0.74 H new ATOM 0 HA ASN A 42 -11.062 5.420 -10.268 1.00 0.68 H new ATOM 0 HB2 ASN A 42 -8.702 6.487 -11.867 1.00 0.85 H new ATOM 0 HB3 ASN A 42 -10.194 5.868 -12.547 1.00 0.85 H new ATOM 0 HD21 ASN A 42 -10.166 9.688 -12.203 1.00 2.66 H new ATOM 0 HD22 ASN A 42 -8.957 8.541 -12.789 1.00 2.66 H new ATOM 640 N PRO A 43 -9.826 3.159 -9.854 1.00 0.41 N ATOM 641 CA PRO A 43 -9.319 1.783 -9.947 1.00 0.40 C ATOM 642 C PRO A 43 -9.727 1.104 -11.250 1.00 0.39 C ATOM 643 O PRO A 43 -10.800 1.375 -11.791 1.00 0.51 O ATOM 644 CB PRO A 43 -9.989 1.086 -8.761 1.00 0.44 C ATOM 645 CG PRO A 43 -11.240 1.860 -8.549 1.00 0.45 C ATOM 646 CD PRO A 43 -10.868 3.287 -8.818 1.00 0.44 C ATOM 0 HA PRO A 43 -8.230 1.746 -9.930 1.00 0.40 H new ATOM 0 HB2 PRO A 43 -10.200 0.039 -8.980 1.00 0.44 H new ATOM 0 HB3 PRO A 43 -9.353 1.105 -7.876 1.00 0.44 H new ATOM 0 HG2 PRO A 43 -12.029 1.525 -9.222 1.00 0.45 H new ATOM 0 HG3 PRO A 43 -11.613 1.735 -7.533 1.00 0.45 H new ATOM 0 HD2 PRO A 43 -11.720 3.868 -9.170 1.00 0.44 H new ATOM 0 HD3 PRO A 43 -10.491 3.783 -7.924 1.00 0.44 H new ATOM 654 N THR A 44 -8.867 0.222 -11.750 1.00 0.35 N ATOM 655 CA THR A 44 -9.150 -0.499 -12.984 1.00 0.36 C ATOM 656 C THR A 44 -10.291 -1.489 -12.777 1.00 0.32 C ATOM 657 O THR A 44 -10.404 -2.091 -11.709 1.00 0.33 O ATOM 658 CB THR A 44 -7.908 -1.257 -13.496 1.00 0.43 C ATOM 659 OG1 THR A 44 -6.817 -0.346 -13.675 1.00 0.73 O ATOM 660 CG2 THR A 44 -8.205 -1.962 -14.812 1.00 0.69 C ATOM 0 H THR A 44 -7.971 -0.009 -11.320 1.00 0.35 H new ATOM 0 HA THR A 44 -9.438 0.242 -13.730 1.00 0.36 H new ATOM 0 HB THR A 44 -7.638 -2.008 -12.753 1.00 0.43 H new ATOM 0 HG1 THR A 44 -6.032 -0.835 -13.999 1.00 0.73 H new ATOM 0 HG21 THR A 44 -7.313 -2.489 -15.152 1.00 0.69 H new ATOM 0 HG22 THR A 44 -9.016 -2.676 -14.667 1.00 0.69 H new ATOM 0 HG23 THR A 44 -8.499 -1.226 -15.561 1.00 0.69 H new ATOM 668 N GLU A 45 -11.137 -1.649 -13.792 1.00 0.32 N ATOM 669 CA GLU A 45 -12.270 -2.564 -13.701 1.00 0.33 C ATOM 670 C GLU A 45 -11.836 -3.921 -13.156 1.00 0.32 C ATOM 671 O GLU A 45 -12.371 -4.394 -12.154 1.00 0.34 O ATOM 672 CB GLU A 45 -12.927 -2.742 -15.071 1.00 0.40 C ATOM 673 CG GLU A 45 -14.264 -3.465 -15.014 1.00 1.14 C ATOM 674 CD GLU A 45 -15.321 -2.676 -14.267 1.00 1.84 C ATOM 675 OE1 GLU A 45 -15.976 -1.818 -14.895 1.00 2.04 O ATOM 676 OE2 GLU A 45 -15.494 -2.917 -13.053 1.00 2.70 O ATOM 0 H GLU A 45 -11.059 -1.159 -14.683 1.00 0.32 H new ATOM 0 HA GLU A 45 -12.994 -2.129 -13.012 1.00 0.33 H new ATOM 0 HB2 GLU A 45 -13.072 -1.762 -15.525 1.00 0.40 H new ATOM 0 HB3 GLU A 45 -12.250 -3.297 -15.720 1.00 0.40 H new ATOM 0 HG2 GLU A 45 -14.611 -3.660 -16.029 1.00 1.14 H new ATOM 0 HG3 GLU A 45 -14.129 -4.433 -14.531 1.00 1.14 H new ATOM 683 N ALA A 46 -10.852 -4.532 -13.811 1.00 0.33 N ATOM 684 CA ALA A 46 -10.346 -5.835 -13.392 1.00 0.37 C ATOM 685 C ALA A 46 -9.905 -5.811 -11.932 1.00 0.33 C ATOM 686 O ALA A 46 -10.222 -6.721 -11.167 1.00 0.34 O ATOM 687 CB ALA A 46 -9.192 -6.267 -14.284 1.00 0.46 C ATOM 0 H ALA A 46 -10.390 -4.145 -14.634 1.00 0.33 H new ATOM 0 HA ALA A 46 -11.157 -6.557 -13.489 1.00 0.37 H new ATOM 0 HB1 ALA A 46 -8.825 -7.241 -13.959 1.00 0.46 H new ATOM 0 HB2 ALA A 46 -9.536 -6.335 -15.316 1.00 0.46 H new ATOM 0 HB3 ALA A 46 -8.387 -5.535 -14.217 1.00 0.46 H new ATOM 693 N GLU A 47 -9.175 -4.764 -11.554 1.00 0.32 N ATOM 694 CA GLU A 47 -8.693 -4.622 -10.184 1.00 0.32 C ATOM 695 C GLU A 47 -9.844 -4.741 -9.193 1.00 0.28 C ATOM 696 O GLU A 47 -9.795 -5.551 -8.269 1.00 0.28 O ATOM 697 CB GLU A 47 -7.982 -3.277 -10.007 1.00 0.37 C ATOM 698 CG GLU A 47 -7.383 -3.079 -8.624 1.00 0.43 C ATOM 699 CD GLU A 47 -6.361 -4.143 -8.274 1.00 1.24 C ATOM 700 OE1 GLU A 47 -5.168 -3.948 -8.587 1.00 1.27 O ATOM 701 OE2 GLU A 47 -6.754 -5.173 -7.687 1.00 2.23 O ATOM 0 H GLU A 47 -8.905 -4.003 -12.177 1.00 0.32 H new ATOM 0 HA GLU A 47 -7.983 -5.425 -9.987 1.00 0.32 H new ATOM 0 HB2 GLU A 47 -7.190 -3.194 -10.751 1.00 0.37 H new ATOM 0 HB3 GLU A 47 -8.691 -2.473 -10.205 1.00 0.37 H new ATOM 0 HG2 GLU A 47 -6.912 -2.097 -8.573 1.00 0.43 H new ATOM 0 HG3 GLU A 47 -8.181 -3.089 -7.882 1.00 0.43 H new ATOM 708 N LEU A 48 -10.879 -3.931 -9.392 1.00 0.29 N ATOM 709 CA LEU A 48 -12.045 -3.959 -8.519 1.00 0.31 C ATOM 710 C LEU A 48 -12.645 -5.359 -8.476 1.00 0.30 C ATOM 711 O LEU A 48 -13.092 -5.819 -7.427 1.00 0.35 O ATOM 712 CB LEU A 48 -13.093 -2.947 -8.990 1.00 0.35 C ATOM 713 CG LEU A 48 -12.969 -1.549 -8.379 1.00 0.65 C ATOM 714 CD1 LEU A 48 -13.955 -0.595 -9.033 1.00 1.34 C ATOM 715 CD2 LEU A 48 -13.196 -1.601 -6.874 1.00 1.36 C ATOM 0 H LEU A 48 -10.933 -3.249 -10.149 1.00 0.29 H new ATOM 0 HA LEU A 48 -11.727 -3.686 -7.513 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -13.028 -2.859 -10.075 1.00 0.35 H new ATOM 0 HB3 LEU A 48 -14.083 -3.340 -8.760 1.00 0.35 H new ATOM 0 HG LEU A 48 -11.959 -1.182 -8.561 1.00 0.65 H new ATOM 0 HD11 LEU A 48 -13.854 0.395 -8.587 1.00 1.34 H new ATOM 0 HD12 LEU A 48 -13.749 -0.534 -10.102 1.00 1.34 H new ATOM 0 HD13 LEU A 48 -14.971 -0.960 -8.880 1.00 1.34 H new ATOM 0 HD21 LEU A 48 -13.104 -0.598 -6.457 1.00 1.36 H new ATOM 0 HD22 LEU A 48 -14.194 -1.989 -6.670 1.00 1.36 H new ATOM 0 HD23 LEU A 48 -12.453 -2.254 -6.416 1.00 1.36 H new ATOM 727 N GLN A 49 -12.647 -6.036 -9.619 1.00 0.30 N ATOM 728 CA GLN A 49 -13.186 -7.388 -9.702 1.00 0.35 C ATOM 729 C GLN A 49 -12.321 -8.360 -8.906 1.00 0.35 C ATOM 730 O GLN A 49 -12.805 -9.383 -8.423 1.00 0.38 O ATOM 731 CB GLN A 49 -13.268 -7.843 -11.162 1.00 0.41 C ATOM 732 CG GLN A 49 -14.152 -6.962 -12.030 1.00 0.48 C ATOM 733 CD GLN A 49 -15.597 -6.946 -11.574 1.00 0.78 C ATOM 734 OE1 GLN A 49 -16.095 -7.920 -11.008 1.00 1.22 O ATOM 735 NE2 GLN A 49 -16.281 -5.835 -11.823 1.00 1.19 N ATOM 0 H GLN A 49 -12.282 -5.671 -10.499 1.00 0.30 H new ATOM 0 HA GLN A 49 -14.189 -7.380 -9.276 1.00 0.35 H new ATOM 0 HB2 GLN A 49 -12.263 -7.862 -11.584 1.00 0.41 H new ATOM 0 HB3 GLN A 49 -13.646 -8.865 -11.194 1.00 0.41 H new ATOM 0 HG2 GLN A 49 -13.762 -5.944 -12.022 1.00 0.48 H new ATOM 0 HG3 GLN A 49 -14.105 -7.313 -13.061 1.00 0.48 H new ATOM 0 HE21 GLN A 49 -15.828 -5.052 -12.295 1.00 1.19 H new ATOM 0 HE22 GLN A 49 -17.259 -5.765 -11.543 1.00 1.19 H new ATOM 744 N ASP A 50 -11.039 -8.030 -8.770 1.00 0.34 N ATOM 745 CA ASP A 50 -10.101 -8.877 -8.038 1.00 0.38 C ATOM 746 C ASP A 50 -10.264 -8.729 -6.525 1.00 0.35 C ATOM 747 O ASP A 50 -10.474 -9.714 -5.818 1.00 0.39 O ATOM 748 CB ASP A 50 -8.662 -8.541 -8.438 1.00 0.43 C ATOM 749 CG ASP A 50 -8.328 -8.993 -9.846 1.00 0.49 C ATOM 750 OD1 ASP A 50 -8.346 -10.216 -10.097 1.00 0.62 O ATOM 751 OD2 ASP A 50 -8.051 -8.123 -10.698 1.00 0.53 O ATOM 0 H ASP A 50 -10.626 -7.182 -9.157 1.00 0.34 H new ATOM 0 HA ASP A 50 -10.322 -9.912 -8.300 1.00 0.38 H new ATOM 0 HB2 ASP A 50 -8.509 -7.465 -8.360 1.00 0.43 H new ATOM 0 HB3 ASP A 50 -7.974 -9.012 -7.736 1.00 0.43 H new ATOM 756 N LEU A 51 -10.168 -7.497 -6.036 1.00 0.32 N ATOM 757 CA LEU A 51 -10.288 -7.227 -4.605 1.00 0.33 C ATOM 758 C LEU A 51 -11.691 -7.536 -4.085 1.00 0.32 C ATOM 759 O LEU A 51 -11.853 -7.998 -2.956 1.00 0.35 O ATOM 760 CB LEU A 51 -9.932 -5.772 -4.308 1.00 0.36 C ATOM 761 CG LEU A 51 -10.731 -4.743 -5.103 1.00 0.30 C ATOM 762 CD1 LEU A 51 -11.700 -3.999 -4.197 1.00 0.39 C ATOM 763 CD2 LEU A 51 -9.792 -3.772 -5.804 1.00 0.31 C ATOM 0 H LEU A 51 -10.007 -6.668 -6.609 1.00 0.32 H new ATOM 0 HA LEU A 51 -9.588 -7.884 -4.089 1.00 0.33 H new ATOM 0 HB2 LEU A 51 -10.082 -5.586 -3.245 1.00 0.36 H new ATOM 0 HB3 LEU A 51 -8.871 -5.623 -4.511 1.00 0.36 H new ATOM 0 HG LEU A 51 -11.313 -5.267 -5.861 1.00 0.30 H new ATOM 0 HD11 LEU A 51 -12.260 -3.270 -4.783 1.00 0.39 H new ATOM 0 HD12 LEU A 51 -12.392 -4.709 -3.744 1.00 0.39 H new ATOM 0 HD13 LEU A 51 -11.144 -3.484 -3.414 1.00 0.39 H new ATOM 0 HD21 LEU A 51 -10.376 -3.044 -6.367 1.00 0.31 H new ATOM 0 HD22 LEU A 51 -9.184 -3.254 -5.062 1.00 0.31 H new ATOM 0 HD23 LEU A 51 -9.143 -4.322 -6.485 1.00 0.31 H new ATOM 775 N ILE A 52 -12.704 -7.273 -4.905 1.00 0.31 N ATOM 776 CA ILE A 52 -14.083 -7.530 -4.506 1.00 0.34 C ATOM 777 C ILE A 52 -14.368 -9.028 -4.456 1.00 0.37 C ATOM 778 O ILE A 52 -15.010 -9.515 -3.525 1.00 0.41 O ATOM 779 CB ILE A 52 -15.091 -6.845 -5.455 1.00 0.38 C ATOM 780 CG1 ILE A 52 -15.036 -5.325 -5.275 1.00 0.42 C ATOM 781 CG2 ILE A 52 -16.504 -7.362 -5.207 1.00 0.50 C ATOM 782 CD1 ILE A 52 -15.859 -4.563 -6.292 1.00 0.50 C ATOM 0 H ILE A 52 -12.597 -6.885 -5.842 1.00 0.31 H new ATOM 0 HA ILE A 52 -14.207 -7.108 -3.509 1.00 0.34 H new ATOM 0 HB ILE A 52 -14.818 -7.086 -6.482 1.00 0.38 H new ATOM 0 HG12 ILE A 52 -15.387 -5.073 -4.274 1.00 0.42 H new ATOM 0 HG13 ILE A 52 -13.999 -4.997 -5.341 1.00 0.42 H new ATOM 0 HG21 ILE A 52 -17.197 -6.866 -5.886 1.00 0.50 H new ATOM 0 HG22 ILE A 52 -16.533 -8.438 -5.380 1.00 0.50 H new ATOM 0 HG23 ILE A 52 -16.793 -7.152 -4.177 1.00 0.50 H new ATOM 0 HD11 ILE A 52 -15.772 -3.493 -6.102 1.00 0.50 H new ATOM 0 HD12 ILE A 52 -15.494 -4.785 -7.295 1.00 0.50 H new ATOM 0 HD13 ILE A 52 -16.904 -4.862 -6.212 1.00 0.50 H new ATOM 794 N ALA A 53 -13.891 -9.755 -5.463 1.00 0.41 N ATOM 795 CA ALA A 53 -14.099 -11.197 -5.523 1.00 0.50 C ATOM 796 C ALA A 53 -13.415 -11.896 -4.356 1.00 0.49 C ATOM 797 O ALA A 53 -14.030 -12.709 -3.666 1.00 0.58 O ATOM 798 CB ALA A 53 -13.596 -11.754 -6.846 1.00 0.59 C ATOM 0 H ALA A 53 -13.360 -9.371 -6.245 1.00 0.41 H new ATOM 0 HA ALA A 53 -15.170 -11.387 -5.451 1.00 0.50 H new ATOM 0 HB1 ALA A 53 -13.759 -12.831 -6.873 1.00 0.59 H new ATOM 0 HB2 ALA A 53 -14.137 -11.284 -7.668 1.00 0.59 H new ATOM 0 HB3 ALA A 53 -12.531 -11.546 -6.947 1.00 0.59 H new ATOM 804 N GLU A 54 -12.141 -11.581 -4.139 1.00 0.45 N ATOM 805 CA GLU A 54 -11.393 -12.181 -3.043 1.00 0.51 C ATOM 806 C GLU A 54 -12.073 -11.873 -1.716 1.00 0.50 C ATOM 807 O GLU A 54 -12.089 -12.702 -0.807 1.00 0.59 O ATOM 808 CB GLU A 54 -9.948 -11.675 -3.027 1.00 0.57 C ATOM 809 CG GLU A 54 -9.822 -10.187 -2.751 1.00 1.07 C ATOM 810 CD GLU A 54 -8.379 -9.725 -2.698 1.00 1.77 C ATOM 811 OE1 GLU A 54 -7.821 -9.399 -3.768 1.00 1.99 O ATOM 812 OE2 GLU A 54 -7.807 -9.690 -1.588 1.00 2.54 O ATOM 0 H GLU A 54 -11.610 -10.918 -4.704 1.00 0.45 H new ATOM 0 HA GLU A 54 -11.374 -13.261 -3.191 1.00 0.51 H new ATOM 0 HB2 GLU A 54 -9.389 -12.224 -2.269 1.00 0.57 H new ATOM 0 HB3 GLU A 54 -9.485 -11.897 -3.988 1.00 0.57 H new ATOM 0 HG2 GLU A 54 -10.349 -9.631 -3.526 1.00 1.07 H new ATOM 0 HG3 GLU A 54 -10.309 -9.954 -1.804 1.00 1.07 H new ATOM 819 N ALA A 55 -12.636 -10.671 -1.612 1.00 0.43 N ATOM 820 CA ALA A 55 -13.333 -10.257 -0.403 1.00 0.47 C ATOM 821 C ALA A 55 -14.707 -10.914 -0.319 1.00 0.46 C ATOM 822 O ALA A 55 -15.303 -10.995 0.755 1.00 0.53 O ATOM 823 CB ALA A 55 -13.469 -8.744 -0.362 1.00 0.50 C ATOM 0 H ALA A 55 -12.621 -9.969 -2.352 1.00 0.43 H new ATOM 0 HA ALA A 55 -12.746 -10.579 0.457 1.00 0.47 H new ATOM 0 HB1 ALA A 55 -13.992 -8.450 0.548 1.00 0.50 H new ATOM 0 HB2 ALA A 55 -12.478 -8.289 -0.374 1.00 0.50 H new ATOM 0 HB3 ALA A 55 -14.034 -8.406 -1.231 1.00 0.50 H new ATOM 829 N GLU A 56 -15.204 -11.383 -1.461 1.00 0.41 N ATOM 830 CA GLU A 56 -16.508 -12.034 -1.518 1.00 0.44 C ATOM 831 C GLU A 56 -16.415 -13.477 -1.031 1.00 0.49 C ATOM 832 O GLU A 56 -17.368 -14.014 -0.465 1.00 0.63 O ATOM 833 CB GLU A 56 -17.056 -11.998 -2.947 1.00 0.47 C ATOM 834 CG GLU A 56 -18.451 -12.587 -3.084 1.00 0.52 C ATOM 835 CD GLU A 56 -19.491 -11.808 -2.304 1.00 1.26 C ATOM 836 OE1 GLU A 56 -20.052 -10.841 -2.864 1.00 1.66 O ATOM 837 OE2 GLU A 56 -19.747 -12.162 -1.135 1.00 1.95 O ATOM 0 H GLU A 56 -14.723 -11.324 -2.358 1.00 0.41 H new ATOM 0 HA GLU A 56 -17.189 -11.491 -0.862 1.00 0.44 H new ATOM 0 HB2 GLU A 56 -17.072 -10.965 -3.294 1.00 0.47 H new ATOM 0 HB3 GLU A 56 -16.376 -12.543 -3.601 1.00 0.47 H new ATOM 0 HG2 GLU A 56 -18.731 -12.607 -4.137 1.00 0.52 H new ATOM 0 HG3 GLU A 56 -18.441 -13.620 -2.737 1.00 0.52 H new ATOM 844 N ASN A 57 -15.260 -14.098 -1.255 1.00 0.53 N ATOM 845 CA ASN A 57 -15.040 -15.478 -0.838 1.00 0.68 C ATOM 846 C ASN A 57 -14.017 -15.548 0.293 1.00 0.79 C ATOM 847 O ASN A 57 -13.149 -16.422 0.307 1.00 1.19 O ATOM 848 CB ASN A 57 -14.570 -16.325 -2.024 1.00 0.87 C ATOM 849 CG ASN A 57 -15.601 -16.394 -3.135 1.00 1.67 C ATOM 850 OD1 ASN A 57 -16.877 -16.332 -2.767 1.00 2.38 O flip ATOM 851 ND2 ASN A 57 -15.256 -16.503 -4.311 1.00 2.48 N flip ATOM 0 H ASN A 57 -14.463 -13.667 -1.723 1.00 0.53 H new ATOM 0 HA ASN A 57 -15.986 -15.876 -0.472 1.00 0.68 H new ATOM 0 HB2 ASN A 57 -13.643 -15.909 -2.419 1.00 0.87 H new ATOM 0 HB3 ASN A 57 -14.345 -17.334 -1.679 1.00 0.87 H new ATOM 0 HD21 ASN A 57 -14.265 -16.547 -4.550 1.00 2.48 H new ATOM 0 HD22 ASN A 57 -15.961 -16.549 -5.047 1.00 2.48 H new ATOM 858 N ASN A 58 -14.127 -14.621 1.238 1.00 0.84 N ATOM 859 CA ASN A 58 -13.214 -14.574 2.375 1.00 1.03 C ATOM 860 C ASN A 58 -13.847 -13.817 3.538 1.00 1.09 C ATOM 861 O ASN A 58 -14.086 -14.384 4.604 1.00 1.84 O ATOM 862 CB ASN A 58 -11.897 -13.907 1.971 1.00 1.12 C ATOM 863 CG ASN A 58 -10.749 -14.247 2.905 1.00 1.81 C ATOM 864 OD1 ASN A 58 -11.057 -14.474 4.178 1.00 2.48 O flip ATOM 865 ND2 ASN A 58 -9.592 -14.303 2.487 1.00 2.14 N flip ATOM 0 H ASN A 58 -14.840 -13.891 1.240 1.00 0.84 H new ATOM 0 HA ASN A 58 -13.009 -15.596 2.694 1.00 1.03 H new ATOM 0 HB2 ASN A 58 -11.637 -14.213 0.958 1.00 1.12 H new ATOM 0 HB3 ASN A 58 -12.035 -12.826 1.952 1.00 1.12 H new ATOM 0 HD21 ASN A 58 -9.396 -14.122 1.502 1.00 2.14 H new ATOM 0 HD22 ASN A 58 -8.830 -14.530 3.125 1.00 2.14 H new ATOM 872 N ASN A 59 -14.117 -12.533 3.323 1.00 1.04 N ATOM 873 CA ASN A 59 -14.726 -11.697 4.351 1.00 1.01 C ATOM 874 C ASN A 59 -16.247 -11.789 4.293 1.00 0.88 C ATOM 875 O ASN A 59 -16.947 -10.889 4.754 1.00 0.91 O ATOM 876 CB ASN A 59 -14.286 -10.241 4.180 1.00 1.08 C ATOM 877 CG ASN A 59 -12.778 -10.089 4.162 1.00 1.31 C ATOM 878 OD1 ASN A 59 -12.191 -10.155 2.973 1.00 2.05 O flip ATOM 879 ND2 ASN A 59 -12.148 -9.912 5.206 1.00 1.51 N flip ATOM 0 H ASN A 59 -13.924 -12.049 2.446 1.00 1.04 H new ATOM 0 HA ASN A 59 -14.393 -12.059 5.324 1.00 1.01 H new ATOM 0 HB2 ASN A 59 -14.699 -9.847 3.251 1.00 1.08 H new ATOM 0 HB3 ASN A 59 -14.699 -9.642 4.992 1.00 1.08 H new ATOM 0 HD21 ASN A 59 -12.641 -9.868 6.098 1.00 1.51 H new ATOM 0 HD22 ASN A 59 -11.134 -9.809 5.178 1.00 1.51 H new ATOM 886 N ASN A 60 -16.745 -12.887 3.724 1.00 0.80 N ATOM 887 CA ASN A 60 -18.183 -13.117 3.591 1.00 0.76 C ATOM 888 C ASN A 60 -18.815 -12.106 2.638 1.00 0.74 C ATOM 889 O ASN A 60 -19.119 -12.431 1.490 1.00 1.42 O ATOM 890 CB ASN A 60 -18.872 -13.059 4.958 1.00 0.86 C ATOM 891 CG ASN A 60 -18.290 -14.053 5.948 1.00 0.95 C ATOM 892 OD1 ASN A 60 -17.776 -15.168 5.439 1.00 1.47 O flip ATOM 893 ND2 ASN A 60 -18.303 -13.821 7.156 1.00 1.19 N flip ATOM 0 H ASN A 60 -16.167 -13.637 3.345 1.00 0.80 H new ATOM 0 HA ASN A 60 -18.322 -14.114 3.174 1.00 0.76 H new ATOM 0 HB2 ASN A 60 -18.781 -12.052 5.364 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -19.936 -13.257 4.833 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -18.708 -12.952 7.504 1.00 1.19 H new ATOM 0 HD22 ASN A 60 -17.909 -14.498 7.810 1.00 1.19 H new ATOM 900 N GLY A 61 -19.012 -10.882 3.118 1.00 0.43 N ATOM 901 CA GLY A 61 -19.602 -9.845 2.292 1.00 0.40 C ATOM 902 C GLY A 61 -19.414 -8.460 2.882 1.00 0.32 C ATOM 903 O GLY A 61 -20.148 -7.531 2.547 1.00 0.38 O ATOM 0 H GLY A 61 -18.773 -10.590 4.066 1.00 0.43 H new ATOM 0 HA2 GLY A 61 -19.155 -9.878 1.298 1.00 0.40 H new ATOM 0 HA3 GLY A 61 -20.667 -10.043 2.169 1.00 0.40 H new ATOM 907 N GLN A 62 -18.425 -8.323 3.763 1.00 0.36 N ATOM 908 CA GLN A 62 -18.144 -7.045 4.404 1.00 0.29 C ATOM 909 C GLN A 62 -16.656 -6.710 4.350 1.00 0.31 C ATOM 910 O GLN A 62 -15.810 -7.598 4.250 1.00 0.38 O ATOM 911 CB GLN A 62 -18.621 -7.067 5.858 1.00 0.27 C ATOM 912 CG GLN A 62 -20.084 -6.691 6.026 1.00 0.27 C ATOM 913 CD GLN A 62 -20.296 -5.189 6.071 1.00 0.23 C ATOM 914 OE1 GLN A 62 -19.404 -4.445 5.426 1.00 0.25 O flip ATOM 915 NE2 GLN A 62 -21.248 -4.700 6.683 1.00 0.21 N flip ATOM 0 H GLN A 62 -17.806 -9.082 4.048 1.00 0.36 H new ATOM 0 HA GLN A 62 -18.685 -6.272 3.858 1.00 0.29 H new ATOM 0 HB2 GLN A 62 -18.462 -8.064 6.268 1.00 0.27 H new ATOM 0 HB3 GLN A 62 -18.009 -6.380 6.443 1.00 0.27 H new ATOM 0 HG2 GLN A 62 -20.661 -7.112 5.202 1.00 0.27 H new ATOM 0 HG3 GLN A 62 -20.467 -7.137 6.944 1.00 0.27 H new ATOM 0 HE21 GLN A 62 -21.910 -5.307 7.165 1.00 0.21 H new ATOM 0 HE22 GLN A 62 -21.373 -3.688 6.707 1.00 0.21 H new ATOM 924 N LEU A 63 -16.350 -5.418 4.420 1.00 0.30 N ATOM 925 CA LEU A 63 -14.971 -4.942 4.384 1.00 0.36 C ATOM 926 C LEU A 63 -14.669 -4.096 5.614 1.00 0.31 C ATOM 927 O LEU A 63 -15.559 -3.456 6.161 1.00 0.27 O ATOM 928 CB LEU A 63 -14.729 -4.101 3.131 1.00 0.45 C ATOM 929 CG LEU A 63 -15.167 -4.738 1.816 1.00 0.79 C ATOM 930 CD1 LEU A 63 -15.136 -3.703 0.705 1.00 1.41 C ATOM 931 CD2 LEU A 63 -14.276 -5.923 1.471 1.00 1.43 C ATOM 0 H LEU A 63 -17.045 -4.676 4.503 1.00 0.30 H new ATOM 0 HA LEU A 63 -14.314 -5.812 4.370 1.00 0.36 H new ATOM 0 HB2 LEU A 63 -15.251 -3.151 3.246 1.00 0.45 H new ATOM 0 HB3 LEU A 63 -13.665 -3.874 3.067 1.00 0.45 H new ATOM 0 HG LEU A 63 -16.188 -5.104 1.926 1.00 0.79 H new ATOM 0 HD11 LEU A 63 -15.450 -4.165 -0.231 1.00 1.41 H new ATOM 0 HD12 LEU A 63 -15.813 -2.885 0.951 1.00 1.41 H new ATOM 0 HD13 LEU A 63 -14.123 -3.316 0.597 1.00 1.41 H new ATOM 0 HD21 LEU A 63 -14.605 -6.364 0.530 1.00 1.43 H new ATOM 0 HD22 LEU A 63 -13.244 -5.586 1.373 1.00 1.43 H new ATOM 0 HD23 LEU A 63 -14.340 -6.669 2.263 1.00 1.43 H new ATOM 943 N ASN A 64 -13.408 -4.065 6.024 1.00 0.33 N ATOM 944 CA ASN A 64 -13.013 -3.291 7.193 1.00 0.31 C ATOM 945 C ASN A 64 -12.114 -2.130 6.803 1.00 0.31 C ATOM 946 O ASN A 64 -11.497 -2.139 5.739 1.00 0.33 O ATOM 947 CB ASN A 64 -12.298 -4.166 8.219 1.00 0.34 C ATOM 948 CG ASN A 64 -13.122 -5.361 8.633 1.00 0.53 C ATOM 949 OD1 ASN A 64 -13.859 -5.312 9.617 1.00 1.19 O ATOM 950 ND2 ASN A 64 -12.999 -6.443 7.884 1.00 0.99 N ATOM 0 H ASN A 64 -12.645 -4.564 5.567 1.00 0.33 H new ATOM 0 HA ASN A 64 -13.926 -2.897 7.641 1.00 0.31 H new ATOM 0 HB2 ASN A 64 -11.351 -4.508 7.803 1.00 0.34 H new ATOM 0 HB3 ASN A 64 -12.062 -3.569 9.100 1.00 0.34 H new ATOM 0 HD21 ASN A 64 -13.528 -7.285 8.113 1.00 0.99 H new ATOM 0 HD22 ASN A 64 -12.375 -6.436 7.077 1.00 0.99 H new ATOM 957 N PHE A 65 -12.069 -1.125 7.664 1.00 0.30 N ATOM 958 CA PHE A 65 -11.250 0.064 7.430 1.00 0.30 C ATOM 959 C PHE A 65 -9.875 -0.313 6.876 1.00 0.29 C ATOM 960 O PHE A 65 -9.335 0.375 6.011 1.00 0.31 O ATOM 961 CB PHE A 65 -11.099 0.854 8.734 1.00 0.32 C ATOM 962 CG PHE A 65 -10.225 2.072 8.619 1.00 0.33 C ATOM 963 CD1 PHE A 65 -10.666 3.201 7.947 1.00 0.37 C ATOM 964 CD2 PHE A 65 -8.964 2.089 9.194 1.00 0.35 C ATOM 965 CE1 PHE A 65 -9.866 4.323 7.851 1.00 0.40 C ATOM 966 CE2 PHE A 65 -8.158 3.209 9.100 1.00 0.38 C ATOM 967 CZ PHE A 65 -8.610 4.328 8.428 1.00 0.39 C ATOM 0 H PHE A 65 -12.593 -1.106 8.539 1.00 0.30 H new ATOM 0 HA PHE A 65 -11.750 0.686 6.688 1.00 0.30 H new ATOM 0 HB2 PHE A 65 -12.087 1.161 9.076 1.00 0.32 H new ATOM 0 HB3 PHE A 65 -10.687 0.196 9.499 1.00 0.32 H new ATOM 0 HD1 PHE A 65 -11.646 3.204 7.493 1.00 0.37 H new ATOM 0 HD2 PHE A 65 -8.607 1.217 9.722 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -10.222 5.196 7.325 1.00 0.40 H new ATOM 0 HE2 PHE A 65 -7.177 3.209 9.551 1.00 0.38 H new ATOM 0 HZ PHE A 65 -7.984 5.205 8.354 1.00 0.39 H new ATOM 977 N THR A 66 -9.324 -1.417 7.373 1.00 0.31 N ATOM 978 CA THR A 66 -8.016 -1.891 6.927 1.00 0.32 C ATOM 979 C THR A 66 -8.081 -2.470 5.521 1.00 0.31 C ATOM 980 O THR A 66 -7.162 -2.284 4.727 1.00 0.30 O ATOM 981 CB THR A 66 -7.456 -2.964 7.875 1.00 0.40 C ATOM 982 OG1 THR A 66 -8.529 -3.655 8.526 1.00 0.56 O ATOM 983 CG2 THR A 66 -6.537 -2.342 8.909 1.00 0.81 C ATOM 0 H THR A 66 -9.763 -2.001 8.085 1.00 0.31 H new ATOM 0 HA THR A 66 -7.356 -1.024 6.929 1.00 0.32 H new ATOM 0 HB THR A 66 -6.879 -3.676 7.284 1.00 0.40 H new ATOM 0 HG1 THR A 66 -8.162 -4.337 9.126 1.00 0.56 H new ATOM 0 HG21 THR A 66 -6.153 -3.120 9.569 1.00 0.81 H new ATOM 0 HG22 THR A 66 -5.705 -1.849 8.406 1.00 0.81 H new ATOM 0 HG23 THR A 66 -7.092 -1.610 9.496 1.00 0.81 H new ATOM 991 N GLU A 67 -9.157 -3.186 5.224 1.00 0.34 N ATOM 992 CA GLU A 67 -9.327 -3.783 3.906 1.00 0.37 C ATOM 993 C GLU A 67 -9.288 -2.708 2.827 1.00 0.32 C ATOM 994 O GLU A 67 -8.539 -2.812 1.853 1.00 0.35 O ATOM 995 CB GLU A 67 -10.649 -4.550 3.836 1.00 0.42 C ATOM 996 CG GLU A 67 -10.702 -5.754 4.761 1.00 0.49 C ATOM 997 CD GLU A 67 -9.646 -6.792 4.431 1.00 0.88 C ATOM 998 OE1 GLU A 67 -9.906 -7.644 3.556 1.00 1.36 O ATOM 999 OE2 GLU A 67 -8.561 -6.752 5.050 1.00 1.21 O ATOM 0 H GLU A 67 -9.922 -3.367 5.874 1.00 0.34 H new ATOM 0 HA GLU A 67 -8.507 -4.481 3.735 1.00 0.37 H new ATOM 0 HB2 GLU A 67 -11.466 -3.873 4.087 1.00 0.42 H new ATOM 0 HB3 GLU A 67 -10.813 -4.882 2.811 1.00 0.42 H new ATOM 0 HG2 GLU A 67 -10.570 -5.422 5.791 1.00 0.49 H new ATOM 0 HG3 GLU A 67 -11.689 -6.213 4.698 1.00 0.49 H new ATOM 1006 N PHE A 68 -10.096 -1.672 3.016 1.00 0.29 N ATOM 1007 CA PHE A 68 -10.164 -0.569 2.070 1.00 0.27 C ATOM 1008 C PHE A 68 -8.857 0.215 2.058 1.00 0.26 C ATOM 1009 O PHE A 68 -8.320 0.522 0.997 1.00 0.32 O ATOM 1010 CB PHE A 68 -11.327 0.356 2.426 1.00 0.26 C ATOM 1011 CG PHE A 68 -11.484 1.530 1.500 1.00 0.30 C ATOM 1012 CD1 PHE A 68 -11.556 1.350 0.126 1.00 0.38 C ATOM 1013 CD2 PHE A 68 -11.575 2.814 2.007 1.00 0.35 C ATOM 1014 CE1 PHE A 68 -11.719 2.430 -0.721 1.00 0.48 C ATOM 1015 CE2 PHE A 68 -11.735 3.897 1.166 1.00 0.45 C ATOM 1016 CZ PHE A 68 -11.808 3.705 -0.200 1.00 0.51 C ATOM 0 H PHE A 68 -10.716 -1.574 3.820 1.00 0.29 H new ATOM 0 HA PHE A 68 -10.327 -0.980 1.074 1.00 0.27 H new ATOM 0 HB2 PHE A 68 -12.251 -0.222 2.422 1.00 0.26 H new ATOM 0 HB3 PHE A 68 -11.186 0.725 3.442 1.00 0.26 H new ATOM 0 HD1 PHE A 68 -11.484 0.354 -0.286 1.00 0.38 H new ATOM 0 HD2 PHE A 68 -11.520 2.971 3.074 1.00 0.35 H new ATOM 0 HE1 PHE A 68 -11.777 2.277 -1.788 1.00 0.48 H new ATOM 0 HE2 PHE A 68 -11.803 4.894 1.576 1.00 0.45 H new ATOM 0 HZ PHE A 68 -11.934 4.551 -0.859 1.00 0.51 H new ATOM 1026 N CYS A 69 -8.354 0.533 3.246 1.00 0.23 N ATOM 1027 CA CYS A 69 -7.110 1.284 3.380 1.00 0.23 C ATOM 1028 C CYS A 69 -5.973 0.597 2.633 1.00 0.27 C ATOM 1029 O CYS A 69 -5.263 1.225 1.846 1.00 0.31 O ATOM 1030 CB CYS A 69 -6.743 1.436 4.857 1.00 0.23 C ATOM 1031 SG CYS A 69 -7.570 2.809 5.687 1.00 0.75 S ATOM 0 H CYS A 69 -8.790 0.282 4.133 1.00 0.23 H new ATOM 0 HA CYS A 69 -7.262 2.271 2.943 1.00 0.23 H new ATOM 0 HB2 CYS A 69 -6.988 0.510 5.378 1.00 0.23 H new ATOM 0 HB3 CYS A 69 -5.665 1.572 4.940 1.00 0.23 H new ATOM 0 HG CYS A 69 -7.799 3.759 4.830 1.00 0.75 H new ATOM 1037 N GLY A 70 -5.802 -0.695 2.893 1.00 0.30 N ATOM 1038 CA GLY A 70 -4.754 -1.454 2.238 1.00 0.35 C ATOM 1039 C GLY A 70 -4.810 -1.316 0.737 1.00 0.37 C ATOM 1040 O GLY A 70 -3.811 -0.978 0.098 1.00 0.41 O ATOM 0 H GLY A 70 -6.372 -1.231 3.547 1.00 0.30 H new ATOM 0 HA2 GLY A 70 -3.782 -1.115 2.597 1.00 0.35 H new ATOM 0 HA3 GLY A 70 -4.845 -2.506 2.509 1.00 0.35 H new ATOM 1044 N ILE A 71 -5.980 -1.574 0.169 1.00 0.37 N ATOM 1045 CA ILE A 71 -6.161 -1.459 -1.262 1.00 0.41 C ATOM 1046 C ILE A 71 -5.835 -0.059 -1.734 1.00 0.40 C ATOM 1047 O ILE A 71 -5.086 0.127 -2.685 1.00 0.44 O ATOM 1048 CB ILE A 71 -7.593 -1.790 -1.670 1.00 0.42 C ATOM 1049 CG1 ILE A 71 -7.927 -3.212 -1.244 1.00 0.47 C ATOM 1050 CG2 ILE A 71 -7.748 -1.613 -3.171 1.00 0.46 C ATOM 1051 CD1 ILE A 71 -9.409 -3.518 -1.267 1.00 0.51 C ATOM 0 H ILE A 71 -6.814 -1.863 0.681 1.00 0.37 H new ATOM 0 HA ILE A 71 -5.482 -2.173 -1.727 1.00 0.41 H new ATOM 0 HB ILE A 71 -8.288 -1.113 -1.174 1.00 0.42 H new ATOM 0 HG12 ILE A 71 -7.410 -3.911 -1.902 1.00 0.47 H new ATOM 0 HG13 ILE A 71 -7.545 -3.380 -0.237 1.00 0.47 H new ATOM 0 HG21 ILE A 71 -8.772 -1.850 -3.462 1.00 0.46 H new ATOM 0 HG22 ILE A 71 -7.524 -0.581 -3.441 1.00 0.46 H new ATOM 0 HG23 ILE A 71 -7.060 -2.281 -3.689 1.00 0.46 H new ATOM 0 HD11 ILE A 71 -9.573 -4.549 -0.952 1.00 0.51 H new ATOM 0 HD12 ILE A 71 -9.930 -2.844 -0.588 1.00 0.51 H new ATOM 0 HD13 ILE A 71 -9.793 -3.382 -2.278 1.00 0.51 H new ATOM 1063 N MET A 72 -6.421 0.919 -1.066 1.00 0.38 N ATOM 1064 CA MET A 72 -6.198 2.321 -1.399 1.00 0.41 C ATOM 1065 C MET A 72 -4.723 2.586 -1.664 1.00 0.45 C ATOM 1066 O MET A 72 -4.373 3.364 -2.544 1.00 0.52 O ATOM 1067 CB MET A 72 -6.677 3.229 -0.269 1.00 0.39 C ATOM 1068 CG MET A 72 -8.185 3.281 -0.113 1.00 0.41 C ATOM 1069 SD MET A 72 -8.797 4.969 0.034 1.00 1.01 S ATOM 1070 CE MET A 72 -8.514 5.567 -1.627 1.00 0.58 C ATOM 0 H MET A 72 -7.059 0.770 -0.284 1.00 0.38 H new ATOM 0 HA MET A 72 -6.769 2.540 -2.301 1.00 0.41 H new ATOM 0 HB2 MET A 72 -6.237 2.888 0.668 1.00 0.39 H new ATOM 0 HB3 MET A 72 -6.306 4.238 -0.446 1.00 0.39 H new ATOM 0 HG2 MET A 72 -8.654 2.800 -0.971 1.00 0.41 H new ATOM 0 HG3 MET A 72 -8.477 2.712 0.770 1.00 0.41 H new ATOM 0 HE1 MET A 72 -8.001 6.528 -1.585 1.00 0.58 H new ATOM 0 HE2 MET A 72 -7.899 4.851 -2.172 1.00 0.58 H new ATOM 0 HE3 MET A 72 -9.469 5.688 -2.138 1.00 0.58 H new ATOM 1080 N ALA A 73 -3.864 1.931 -0.893 1.00 0.46 N ATOM 1081 CA ALA A 73 -2.425 2.095 -1.044 1.00 0.53 C ATOM 1082 C ALA A 73 -1.936 1.482 -2.352 1.00 0.59 C ATOM 1083 O ALA A 73 -1.305 2.157 -3.171 1.00 0.70 O ATOM 1084 CB ALA A 73 -1.703 1.463 0.135 1.00 0.54 C ATOM 0 H ALA A 73 -4.140 1.281 -0.157 1.00 0.46 H new ATOM 0 HA ALA A 73 -2.204 3.162 -1.069 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -0.627 1.590 0.014 1.00 0.54 H new ATOM 0 HB2 ALA A 73 -2.024 1.945 1.059 1.00 0.54 H new ATOM 0 HB3 ALA A 73 -1.940 0.400 0.179 1.00 0.54 H new ATOM 1090 N LYS A 74 -2.241 0.201 -2.545 1.00 0.55 N ATOM 1091 CA LYS A 74 -1.823 -0.512 -3.748 1.00 0.62 C ATOM 1092 C LYS A 74 -2.387 0.141 -5.007 1.00 0.63 C ATOM 1093 O LYS A 74 -1.772 0.090 -6.069 1.00 0.70 O ATOM 1094 CB LYS A 74 -2.250 -1.986 -3.675 1.00 0.63 C ATOM 1095 CG LYS A 74 -3.734 -2.230 -3.891 1.00 0.65 C ATOM 1096 CD LYS A 74 -4.025 -3.717 -4.017 1.00 0.74 C ATOM 1097 CE LYS A 74 -5.472 -3.979 -4.400 1.00 0.73 C ATOM 1098 NZ LYS A 74 -5.729 -5.424 -4.646 1.00 1.38 N ATOM 0 H LYS A 74 -2.775 -0.363 -1.884 1.00 0.55 H new ATOM 0 HA LYS A 74 -0.736 -0.462 -3.803 1.00 0.62 H new ATOM 0 HB2 LYS A 74 -1.691 -2.549 -4.422 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -1.969 -2.383 -2.700 1.00 0.63 H new ATOM 0 HG2 LYS A 74 -4.300 -1.814 -3.058 1.00 0.65 H new ATOM 0 HG3 LYS A 74 -4.065 -1.713 -4.792 1.00 0.65 H new ATOM 0 HD2 LYS A 74 -3.366 -4.154 -4.767 1.00 0.74 H new ATOM 0 HD3 LYS A 74 -3.804 -4.212 -3.071 1.00 0.74 H new ATOM 0 HE2 LYS A 74 -6.128 -3.624 -3.605 1.00 0.73 H new ATOM 0 HE3 LYS A 74 -5.719 -3.409 -5.295 1.00 0.73 H new ATOM 0 HZ1 LYS A 74 -6.076 -5.554 -5.618 1.00 1.38 H new ATOM 0 HZ2 LYS A 74 -4.847 -5.960 -4.519 1.00 1.38 H new ATOM 0 HZ3 LYS A 74 -6.444 -5.769 -3.974 1.00 1.38 H new ATOM 1112 N GLN A 75 -3.556 0.756 -4.877 1.00 0.59 N ATOM 1113 CA GLN A 75 -4.216 1.410 -6.001 1.00 0.63 C ATOM 1114 C GLN A 75 -3.654 2.807 -6.258 1.00 0.67 C ATOM 1115 O GLN A 75 -3.369 3.167 -7.400 1.00 0.79 O ATOM 1116 CB GLN A 75 -5.717 1.489 -5.747 1.00 0.63 C ATOM 1117 CG GLN A 75 -6.496 2.152 -6.873 1.00 1.04 C ATOM 1118 CD GLN A 75 -7.059 3.504 -6.479 1.00 1.23 C ATOM 1119 OE1 GLN A 75 -7.392 3.658 -5.203 1.00 1.98 O flip ATOM 1120 NE2 GLN A 75 -7.197 4.398 -7.314 1.00 1.54 N flip ATOM 0 H GLN A 75 -4.070 0.816 -3.998 1.00 0.59 H new ATOM 0 HA GLN A 75 -4.026 0.811 -6.891 1.00 0.63 H new ATOM 0 HB2 GLN A 75 -6.104 0.481 -5.594 1.00 0.63 H new ATOM 0 HB3 GLN A 75 -5.891 2.041 -4.823 1.00 0.63 H new ATOM 0 HG2 GLN A 75 -5.844 2.273 -7.738 1.00 1.04 H new ATOM 0 HG3 GLN A 75 -7.313 1.498 -7.178 1.00 1.04 H new ATOM 0 HE21 GLN A 75 -6.928 4.236 -8.284 1.00 1.54 H new ATOM 0 HE22 GLN A 75 -7.581 5.301 -7.036 1.00 1.54 H new ATOM 1129 N MET A 76 -3.501 3.587 -5.191 1.00 0.65 N ATOM 1130 CA MET A 76 -2.989 4.942 -5.290 1.00 0.73 C ATOM 1131 C MET A 76 -1.702 4.999 -6.110 1.00 0.89 C ATOM 1132 O MET A 76 -1.565 5.836 -7.002 1.00 1.06 O ATOM 1133 CB MET A 76 -2.738 5.493 -3.890 1.00 0.76 C ATOM 1134 CG MET A 76 -3.943 6.181 -3.271 1.00 0.80 C ATOM 1135 SD MET A 76 -3.571 6.905 -1.662 1.00 1.20 S ATOM 1136 CE MET A 76 -5.204 7.403 -1.125 1.00 0.75 C ATOM 0 H MET A 76 -3.728 3.295 -4.240 1.00 0.65 H new ATOM 0 HA MET A 76 -3.735 5.551 -5.801 1.00 0.73 H new ATOM 0 HB2 MET A 76 -2.425 4.676 -3.240 1.00 0.76 H new ATOM 0 HB3 MET A 76 -1.910 6.201 -3.932 1.00 0.76 H new ATOM 0 HG2 MET A 76 -4.298 6.961 -3.944 1.00 0.80 H new ATOM 0 HG3 MET A 76 -4.754 5.460 -3.163 1.00 0.80 H new ATOM 0 HE1 MET A 76 -5.117 8.066 -0.264 1.00 0.75 H new ATOM 0 HE2 MET A 76 -5.710 7.926 -1.936 1.00 0.75 H new ATOM 0 HE3 MET A 76 -5.780 6.521 -0.847 1.00 0.75 H new ATOM 1211 N THR A 81 0.314 8.163 -8.498 1.00 5.18 N ATOM 1212 CA THR A 81 0.608 8.930 -7.284 1.00 6.15 C ATOM 1213 C THR A 81 0.511 10.432 -7.556 1.00 6.80 C ATOM 1214 O THR A 81 1.481 11.064 -7.970 1.00 7.13 O ATOM 1215 CB THR A 81 2.006 8.598 -6.723 1.00 6.60 C ATOM 1216 OG1 THR A 81 2.362 9.542 -5.706 1.00 7.29 O ATOM 1217 CG2 THR A 81 3.061 8.606 -7.822 1.00 6.89 C ATOM 0 HA THR A 81 -0.136 8.648 -6.540 1.00 6.15 H new ATOM 0 HB THR A 81 1.966 7.596 -6.296 1.00 6.60 H new ATOM 0 HG1 THR A 81 3.250 9.324 -5.354 1.00 7.29 H new ATOM 0 HG21 THR A 81 4.035 8.368 -7.393 1.00 6.89 H new ATOM 0 HG22 THR A 81 2.806 7.862 -8.577 1.00 6.89 H new ATOM 0 HG23 THR A 81 3.099 9.593 -8.283 1.00 6.89 H new ATOM 1225 N GLU A 82 -0.670 10.990 -7.298 1.00 7.25 N ATOM 1226 CA GLU A 82 -0.949 12.409 -7.537 1.00 8.05 C ATOM 1227 C GLU A 82 0.115 13.343 -6.955 1.00 8.92 C ATOM 1228 O GLU A 82 0.219 14.497 -7.372 1.00 9.53 O ATOM 1229 CB GLU A 82 -2.320 12.770 -6.964 1.00 8.64 C ATOM 1230 CG GLU A 82 -3.469 12.032 -7.631 1.00 8.69 C ATOM 1231 CD GLU A 82 -4.812 12.350 -7.005 1.00 9.34 C ATOM 1232 OE1 GLU A 82 -5.461 13.320 -7.453 1.00 9.74 O ATOM 1233 OE2 GLU A 82 -5.217 11.631 -6.068 1.00 9.63 O ATOM 0 H GLU A 82 -1.462 10.473 -6.917 1.00 7.25 H new ATOM 0 HA GLU A 82 -0.936 12.552 -8.617 1.00 8.05 H new ATOM 0 HB2 GLU A 82 -2.328 12.550 -5.896 1.00 8.64 H new ATOM 0 HB3 GLU A 82 -2.478 13.843 -7.069 1.00 8.64 H new ATOM 0 HG2 GLU A 82 -3.496 12.291 -8.689 1.00 8.69 H new ATOM 0 HG3 GLU A 82 -3.290 10.959 -7.570 1.00 8.69 H new ATOM 1240 N GLU A 83 0.899 12.858 -5.999 1.00 9.15 N ATOM 1241 CA GLU A 83 1.934 13.685 -5.378 1.00 10.17 C ATOM 1242 C GLU A 83 2.983 14.129 -6.399 1.00 10.27 C ATOM 1243 O GLU A 83 3.232 15.327 -6.576 1.00 11.05 O ATOM 1244 CB GLU A 83 2.612 12.920 -4.240 1.00 10.55 C ATOM 1245 CG GLU A 83 1.652 12.479 -3.146 1.00 10.83 C ATOM 1246 CD GLU A 83 2.353 11.751 -2.015 1.00 11.60 C ATOM 1247 OE1 GLU A 83 2.521 10.517 -2.117 1.00 11.85 O ATOM 1248 OE2 GLU A 83 2.734 12.414 -1.027 1.00 12.11 O ATOM 0 H GLU A 83 0.841 11.906 -5.638 1.00 9.15 H new ATOM 0 HA GLU A 83 1.449 14.576 -4.978 1.00 10.17 H new ATOM 0 HB2 GLU A 83 3.110 12.042 -4.650 1.00 10.55 H new ATOM 0 HB3 GLU A 83 3.386 13.549 -3.801 1.00 10.55 H new ATOM 0 HG2 GLU A 83 1.136 13.352 -2.747 1.00 10.83 H new ATOM 0 HG3 GLU A 83 0.891 11.828 -3.576 1.00 10.83 H new ATOM 1255 N GLU A 84 3.587 13.159 -7.077 1.00 9.63 N ATOM 1256 CA GLU A 84 4.614 13.444 -8.073 1.00 9.95 C ATOM 1257 C GLU A 84 4.015 14.113 -9.306 1.00 9.87 C ATOM 1258 O GLU A 84 4.733 14.705 -10.115 1.00 10.51 O ATOM 1259 CB GLU A 84 5.328 12.152 -8.478 1.00 9.47 C ATOM 1260 CG GLU A 84 6.531 12.374 -9.379 1.00 9.88 C ATOM 1261 CD GLU A 84 7.632 13.164 -8.699 1.00 10.40 C ATOM 1262 OE1 GLU A 84 7.569 14.411 -8.722 1.00 10.49 O ATOM 1263 OE2 GLU A 84 8.558 12.535 -8.144 1.00 10.87 O ATOM 0 H GLU A 84 3.383 12.167 -6.955 1.00 9.63 H new ATOM 0 HA GLU A 84 5.334 14.130 -7.627 1.00 9.95 H new ATOM 0 HB2 GLU A 84 5.651 11.629 -7.578 1.00 9.47 H new ATOM 0 HB3 GLU A 84 4.619 11.500 -8.988 1.00 9.47 H new ATOM 0 HG2 GLU A 84 6.925 11.409 -9.697 1.00 9.88 H new ATOM 0 HG3 GLU A 84 6.214 12.901 -10.279 1.00 9.88 H new ATOM 1270 N MET A 85 2.696 14.031 -9.438 1.00 9.31 N ATOM 1271 CA MET A 85 2.010 14.617 -10.583 1.00 9.45 C ATOM 1272 C MET A 85 1.795 16.087 -10.322 1.00 10.49 C ATOM 1273 O MET A 85 1.788 16.915 -11.230 1.00 11.09 O ATOM 1274 CB MET A 85 0.672 13.925 -10.816 1.00 8.75 C ATOM 1275 CG MET A 85 0.691 12.446 -10.483 1.00 7.71 C ATOM 1276 SD MET A 85 2.036 11.563 -11.294 1.00 7.19 S ATOM 1277 CE MET A 85 1.110 10.545 -12.434 1.00 6.73 C ATOM 0 H MET A 85 2.082 13.566 -8.769 1.00 9.31 H new ATOM 0 HA MET A 85 2.620 14.485 -11.477 1.00 9.45 H new ATOM 0 HB2 MET A 85 -0.092 14.416 -10.213 1.00 8.75 H new ATOM 0 HB3 MET A 85 0.383 14.051 -11.860 1.00 8.75 H new ATOM 0 HG2 MET A 85 0.781 12.323 -9.404 1.00 7.71 H new ATOM 0 HG3 MET A 85 -0.259 12.000 -10.777 1.00 7.71 H new ATOM 0 HE1 MET A 85 1.798 10.040 -13.112 1.00 6.73 H new ATOM 0 HE2 MET A 85 0.539 9.802 -11.877 1.00 6.73 H new ATOM 0 HE3 MET A 85 0.428 11.171 -13.009 1.00 6.73 H new ATOM 1287 N ARG A 86 1.612 16.377 -9.049 1.00 10.82 N ATOM 1288 CA ARG A 86 1.401 17.724 -8.577 1.00 11.88 C ATOM 1289 C ARG A 86 2.642 18.565 -8.830 1.00 12.66 C ATOM 1290 O ARG A 86 2.564 19.658 -9.392 1.00 13.43 O ATOM 1291 CB ARG A 86 1.084 17.660 -7.089 1.00 12.21 C ATOM 1292 CG ARG A 86 0.525 18.936 -6.506 1.00 13.16 C ATOM 1293 CD ARG A 86 -0.739 19.390 -7.221 1.00 13.63 C ATOM 1294 NE ARG A 86 -1.259 20.638 -6.665 1.00 14.25 N ATOM 1295 CZ ARG A 86 -2.324 21.274 -7.143 1.00 14.86 C ATOM 1296 NH1 ARG A 86 -2.987 20.782 -8.182 1.00 14.96 N ATOM 1297 NH2 ARG A 86 -2.729 22.404 -6.581 1.00 15.52 N ATOM 0 H ARG A 86 1.606 15.675 -8.309 1.00 10.82 H new ATOM 0 HA ARG A 86 0.571 18.189 -9.109 1.00 11.88 H new ATOM 0 HB2 ARG A 86 0.369 16.855 -6.918 1.00 12.21 H new ATOM 0 HB3 ARG A 86 1.994 17.398 -6.549 1.00 12.21 H new ATOM 0 HG2 ARG A 86 0.308 18.786 -5.448 1.00 13.16 H new ATOM 0 HG3 ARG A 86 1.278 19.722 -6.568 1.00 13.16 H new ATOM 0 HD2 ARG A 86 -0.528 19.525 -8.282 1.00 13.63 H new ATOM 0 HD3 ARG A 86 -1.499 18.613 -7.144 1.00 13.63 H new ATOM 0 HE ARG A 86 -0.777 21.045 -5.864 1.00 14.25 H new ATOM 0 HH11 ARG A 86 -2.680 19.912 -8.617 1.00 14.96 H new ATOM 0 HH12 ARG A 86 -3.804 21.274 -8.545 1.00 14.96 H new ATOM 0 HH21 ARG A 86 -2.223 22.786 -5.782 1.00 15.52 H new ATOM 0 HH22 ARG A 86 -3.546 22.892 -6.948 1.00 15.52 H new ATOM 1311 N GLU A 87 3.791 18.040 -8.416 1.00 12.58 N ATOM 1312 CA GLU A 87 5.057 18.734 -8.613 1.00 13.44 C ATOM 1313 C GLU A 87 5.374 18.840 -10.104 1.00 13.54 C ATOM 1314 O GLU A 87 5.908 19.848 -10.567 1.00 14.45 O ATOM 1315 CB GLU A 87 6.187 18.005 -7.885 1.00 13.42 C ATOM 1316 CG GLU A 87 7.529 18.713 -7.978 1.00 14.12 C ATOM 1317 CD GLU A 87 8.643 17.939 -7.302 1.00 14.57 C ATOM 1318 OE1 GLU A 87 8.836 18.120 -6.081 1.00 14.85 O ATOM 1319 OE2 GLU A 87 9.323 17.152 -7.993 1.00 14.77 O ATOM 0 H GLU A 87 3.871 17.139 -7.944 1.00 12.58 H new ATOM 0 HA GLU A 87 4.969 19.738 -8.199 1.00 13.44 H new ATOM 0 HB2 GLU A 87 5.918 17.892 -6.835 1.00 13.42 H new ATOM 0 HB3 GLU A 87 6.286 17.001 -8.299 1.00 13.42 H new ATOM 0 HG2 GLU A 87 7.783 18.867 -9.027 1.00 14.12 H new ATOM 0 HG3 GLU A 87 7.448 19.700 -7.522 1.00 14.12 H new ATOM 1326 N ALA A 88 5.034 17.789 -10.849 1.00 12.70 N ATOM 1327 CA ALA A 88 5.275 17.759 -12.286 1.00 12.92 C ATOM 1328 C ALA A 88 4.378 18.755 -13.015 1.00 13.38 C ATOM 1329 O ALA A 88 4.756 19.301 -14.051 1.00 14.11 O ATOM 1330 CB ALA A 88 5.058 16.355 -12.829 1.00 12.02 C ATOM 0 H ALA A 88 4.591 16.948 -10.479 1.00 12.70 H new ATOM 0 HA ALA A 88 6.311 18.048 -12.461 1.00 12.92 H new ATOM 0 HB1 ALA A 88 5.242 16.348 -13.903 1.00 12.02 H new ATOM 0 HB2 ALA A 88 5.745 15.665 -12.339 1.00 12.02 H new ATOM 0 HB3 ALA A 88 4.032 16.044 -12.634 1.00 12.02 H new ATOM 1336 N PHE A 89 3.187 18.984 -12.469 1.00 13.10 N ATOM 1337 CA PHE A 89 2.238 19.918 -13.066 1.00 13.68 C ATOM 1338 C PHE A 89 2.758 21.342 -12.958 1.00 14.81 C ATOM 1339 O PHE A 89 2.613 22.144 -13.880 1.00 15.53 O ATOM 1340 CB PHE A 89 0.876 19.803 -12.380 1.00 13.32 C ATOM 1341 CG PHE A 89 -0.161 20.736 -12.939 1.00 14.09 C ATOM 1342 CD1 PHE A 89 -0.746 20.485 -14.169 1.00 14.63 C ATOM 1343 CD2 PHE A 89 -0.550 21.862 -12.233 1.00 14.41 C ATOM 1344 CE1 PHE A 89 -1.699 21.341 -14.685 1.00 15.44 C ATOM 1345 CE2 PHE A 89 -1.502 22.721 -12.744 1.00 15.22 C ATOM 1346 CZ PHE A 89 -2.078 22.460 -13.973 1.00 15.73 C ATOM 0 H PHE A 89 2.856 18.536 -11.615 1.00 13.10 H new ATOM 0 HA PHE A 89 2.122 19.666 -14.120 1.00 13.68 H new ATOM 0 HB2 PHE A 89 0.518 18.778 -12.472 1.00 13.32 H new ATOM 0 HB3 PHE A 89 0.997 20.004 -11.315 1.00 13.32 H new ATOM 0 HD1 PHE A 89 -0.454 19.610 -14.731 1.00 14.63 H new ATOM 0 HD2 PHE A 89 -0.104 22.070 -11.272 1.00 14.41 H new ATOM 0 HE1 PHE A 89 -2.147 21.134 -15.646 1.00 15.44 H new ATOM 0 HE2 PHE A 89 -1.797 23.596 -12.184 1.00 15.22 H new ATOM 0 HZ PHE A 89 -2.823 23.131 -14.375 1.00 15.73 H new ATOM 1356 N LYS A 90 3.361 21.645 -11.818 1.00 15.06 N ATOM 1357 CA LYS A 90 3.916 22.970 -11.569 1.00 16.18 C ATOM 1358 C LYS A 90 5.086 23.255 -12.505 1.00 16.76 C ATOM 1359 O LYS A 90 5.241 24.370 -13.004 1.00 17.66 O ATOM 1360 CB LYS A 90 4.376 23.082 -10.115 1.00 16.38 C ATOM 1361 CG LYS A 90 3.262 22.861 -9.105 1.00 16.21 C ATOM 1362 CD LYS A 90 3.785 22.890 -7.682 1.00 16.55 C ATOM 1363 CE LYS A 90 2.717 22.468 -6.686 1.00 16.86 C ATOM 1364 NZ LYS A 90 1.536 23.374 -6.723 1.00 17.18 N ATOM 0 H LYS A 90 3.479 20.989 -11.046 1.00 15.06 H new ATOM 0 HA LYS A 90 3.135 23.707 -11.758 1.00 16.18 H new ATOM 0 HB2 LYS A 90 5.167 22.354 -9.936 1.00 16.38 H new ATOM 0 HB3 LYS A 90 4.809 24.069 -9.955 1.00 16.38 H new ATOM 0 HG2 LYS A 90 2.500 23.630 -9.229 1.00 16.21 H new ATOM 0 HG3 LYS A 90 2.781 21.902 -9.297 1.00 16.21 H new ATOM 0 HD2 LYS A 90 4.646 22.227 -7.596 1.00 16.55 H new ATOM 0 HD3 LYS A 90 4.131 23.895 -7.441 1.00 16.55 H new ATOM 0 HE2 LYS A 90 2.400 21.448 -6.904 1.00 16.86 H new ATOM 0 HE3 LYS A 90 3.139 22.462 -5.681 1.00 16.86 H new ATOM 0 HZ1 LYS A 90 0.868 23.104 -5.973 1.00 17.18 H new ATOM 0 HZ2 LYS A 90 1.846 24.355 -6.574 1.00 17.18 H new ATOM 0 HZ3 LYS A 90 1.067 23.296 -7.648 1.00 17.18 H new ATOM 1378 N ILE A 91 5.909 22.236 -12.739 1.00 16.32 N ATOM 1379 CA ILE A 91 7.072 22.371 -13.611 1.00 16.96 C ATOM 1380 C ILE A 91 6.663 22.517 -15.074 1.00 17.21 C ATOM 1381 O ILE A 91 7.184 23.372 -15.790 1.00 18.15 O ATOM 1382 CB ILE A 91 8.018 21.159 -13.471 1.00 16.50 C ATOM 1383 CG1 ILE A 91 8.489 21.017 -12.022 1.00 16.43 C ATOM 1384 CG2 ILE A 91 9.208 21.303 -14.410 1.00 17.34 C ATOM 1385 CD1 ILE A 91 9.204 19.713 -11.739 1.00 16.26 C ATOM 0 H ILE A 91 5.791 21.306 -12.336 1.00 16.32 H new ATOM 0 HA ILE A 91 7.594 23.275 -13.298 1.00 16.96 H new ATOM 0 HB ILE A 91 7.472 20.257 -13.746 1.00 16.50 H new ATOM 0 HG12 ILE A 91 9.156 21.846 -11.783 1.00 16.43 H new ATOM 0 HG13 ILE A 91 7.627 21.100 -11.360 1.00 16.43 H new ATOM 0 HG21 ILE A 91 9.865 20.441 -14.299 1.00 17.34 H new ATOM 0 HG22 ILE A 91 8.854 21.360 -15.439 1.00 17.34 H new ATOM 0 HG23 ILE A 91 9.757 22.212 -14.164 1.00 17.34 H new ATOM 0 HD11 ILE A 91 9.508 19.684 -10.693 1.00 16.26 H new ATOM 0 HD12 ILE A 91 8.534 18.878 -11.945 1.00 16.26 H new ATOM 0 HD13 ILE A 91 10.086 19.636 -12.375 1.00 16.26 H new ATOM 1397 N PHE A 92 5.729 21.680 -15.514 1.00 16.44 N ATOM 1398 CA PHE A 92 5.262 21.715 -16.899 1.00 16.75 C ATOM 1399 C PHE A 92 4.495 22.998 -17.198 1.00 17.52 C ATOM 1400 O PHE A 92 4.835 23.729 -18.130 1.00 18.34 O ATOM 1401 CB PHE A 92 4.378 20.502 -17.194 1.00 15.83 C ATOM 1402 CG PHE A 92 5.085 19.411 -17.945 1.00 15.63 C ATOM 1403 CD1 PHE A 92 5.291 19.518 -19.311 1.00 15.79 C ATOM 1404 CD2 PHE A 92 5.539 18.278 -17.289 1.00 15.41 C ATOM 1405 CE1 PHE A 92 5.938 18.516 -20.008 1.00 15.74 C ATOM 1406 CE2 PHE A 92 6.185 17.272 -17.982 1.00 15.39 C ATOM 1407 CZ PHE A 92 6.385 17.391 -19.344 1.00 15.56 C ATOM 0 H PHE A 92 5.280 20.970 -14.935 1.00 16.44 H new ATOM 0 HA PHE A 92 6.141 21.686 -17.543 1.00 16.75 H new ATOM 0 HB2 PHE A 92 4.002 20.099 -16.253 1.00 15.83 H new ATOM 0 HB3 PHE A 92 3.512 20.826 -17.771 1.00 15.83 H new ATOM 0 HD1 PHE A 92 4.942 20.394 -19.837 1.00 15.79 H new ATOM 0 HD2 PHE A 92 5.386 18.180 -16.224 1.00 15.41 H new ATOM 0 HE1 PHE A 92 6.094 18.613 -21.072 1.00 15.74 H new ATOM 0 HE2 PHE A 92 6.533 16.393 -17.459 1.00 15.39 H new ATOM 0 HZ PHE A 92 6.890 16.606 -19.888 1.00 15.56 H new ATOM 1417 N ASP A 93 3.459 23.268 -16.409 1.00 17.35 N ATOM 1418 CA ASP A 93 2.648 24.466 -16.598 1.00 18.13 C ATOM 1419 C ASP A 93 3.513 25.719 -16.497 1.00 19.15 C ATOM 1420 O ASP A 93 3.981 26.078 -15.417 1.00 19.29 O ATOM 1421 CB ASP A 93 1.522 24.518 -15.563 1.00 17.78 C ATOM 1422 CG ASP A 93 0.420 25.487 -15.949 1.00 18.61 C ATOM 1423 OD1 ASP A 93 0.718 26.473 -16.655 1.00 18.94 O ATOM 1424 OD2 ASP A 93 -0.742 25.261 -15.545 1.00 18.99 O ATOM 0 H ASP A 93 3.162 22.675 -15.634 1.00 17.35 H new ATOM 0 HA ASP A 93 2.206 24.427 -17.594 1.00 18.13 H new ATOM 0 HB2 ASP A 93 1.098 23.521 -15.442 1.00 17.78 H new ATOM 0 HB3 ASP A 93 1.935 24.809 -14.597 1.00 17.78 H new ATOM 1429 N ARG A 94 3.721 26.376 -17.634 1.00 19.94 N ATOM 1430 CA ARG A 94 4.539 27.585 -17.686 1.00 20.98 C ATOM 1431 C ARG A 94 3.992 28.659 -16.753 1.00 21.56 C ATOM 1432 O ARG A 94 4.752 29.398 -16.129 1.00 22.25 O ATOM 1433 CB ARG A 94 4.600 28.134 -19.115 1.00 21.74 C ATOM 1434 CG ARG A 94 4.789 27.067 -20.186 1.00 21.43 C ATOM 1435 CD ARG A 94 6.036 26.231 -19.945 1.00 21.19 C ATOM 1436 NE ARG A 94 7.234 27.058 -19.823 1.00 21.42 N ATOM 1437 CZ ARG A 94 8.432 26.576 -19.506 1.00 21.61 C ATOM 1438 NH1 ARG A 94 8.590 25.279 -19.279 1.00 21.58 N ATOM 1439 NH2 ARG A 94 9.473 27.393 -19.415 1.00 21.94 N ATOM 0 H ARG A 94 3.334 26.091 -18.534 1.00 19.94 H new ATOM 0 HA ARG A 94 5.544 27.316 -17.360 1.00 20.98 H new ATOM 0 HB2 ARG A 94 3.680 28.681 -19.322 1.00 21.74 H new ATOM 0 HB3 ARG A 94 5.419 28.850 -19.183 1.00 21.74 H new ATOM 0 HG2 ARG A 94 3.915 26.416 -20.207 1.00 21.43 H new ATOM 0 HG3 ARG A 94 4.856 27.543 -21.164 1.00 21.43 H new ATOM 0 HD2 ARG A 94 5.908 25.642 -19.037 1.00 21.19 H new ATOM 0 HD3 ARG A 94 6.164 25.526 -20.766 1.00 21.19 H new ATOM 0 HE ARG A 94 7.147 28.060 -19.990 1.00 21.42 H new ATOM 0 HH11 ARG A 94 7.791 24.648 -19.347 1.00 21.58 H new ATOM 0 HH12 ARG A 94 9.510 24.912 -19.036 1.00 21.58 H new ATOM 0 HH21 ARG A 94 9.355 28.391 -19.588 1.00 21.94 H new ATOM 0 HH22 ARG A 94 10.392 27.023 -19.172 1.00 21.94 H new ATOM 1453 N ASP A 95 2.668 28.741 -16.664 1.00 21.37 N ATOM 1454 CA ASP A 95 2.021 29.729 -15.810 1.00 21.99 C ATOM 1455 C ASP A 95 1.405 29.064 -14.584 1.00 21.37 C ATOM 1456 O ASP A 95 1.433 27.841 -14.447 1.00 20.39 O ATOM 1457 CB ASP A 95 0.936 30.474 -16.589 1.00 22.48 C ATOM 1458 CG ASP A 95 1.249 30.575 -18.067 1.00 22.92 C ATOM 1459 OD1 ASP A 95 2.015 31.484 -18.453 1.00 22.92 O ATOM 1460 OD2 ASP A 95 0.728 29.744 -18.841 1.00 23.34 O ATOM 0 H ASP A 95 2.024 28.136 -17.172 1.00 21.37 H new ATOM 0 HA ASP A 95 2.779 30.439 -15.480 1.00 21.99 H new ATOM 0 HB2 ASP A 95 -0.017 29.963 -16.457 1.00 22.48 H new ATOM 0 HB3 ASP A 95 0.820 31.476 -16.176 1.00 22.48 H new ATOM 1465 N GLY A 96 0.850 29.881 -13.696 1.00 22.00 N ATOM 1466 CA GLY A 96 0.228 29.362 -12.494 1.00 21.64 C ATOM 1467 C GLY A 96 -1.281 29.289 -12.617 1.00 21.55 C ATOM 1468 O GLY A 96 -1.974 28.968 -11.651 1.00 21.40 O ATOM 0 H GLY A 96 0.820 30.896 -13.788 1.00 22.00 H new ATOM 0 HA2 GLY A 96 0.622 28.368 -12.283 1.00 21.64 H new ATOM 0 HA3 GLY A 96 0.492 29.996 -11.647 1.00 21.64 H new ATOM 1472 N ASP A 97 -1.787 29.594 -13.809 1.00 21.75 N ATOM 1473 CA ASP A 97 -3.223 29.566 -14.061 1.00 21.82 C ATOM 1474 C ASP A 97 -3.798 28.179 -13.791 1.00 20.80 C ATOM 1475 O ASP A 97 -4.899 28.046 -13.257 1.00 20.85 O ATOM 1476 CB ASP A 97 -3.519 29.990 -15.501 1.00 22.28 C ATOM 1477 CG ASP A 97 -2.998 28.997 -16.523 1.00 21.72 C ATOM 1478 OD1 ASP A 97 -1.776 28.735 -16.523 1.00 21.74 O ATOM 1479 OD2 ASP A 97 -3.808 28.477 -17.319 1.00 21.34 O ATOM 0 H ASP A 97 -1.223 29.863 -14.615 1.00 21.75 H new ATOM 0 HA ASP A 97 -3.700 30.271 -13.380 1.00 21.82 H new ATOM 0 HB2 ASP A 97 -4.596 30.104 -15.628 1.00 22.28 H new ATOM 0 HB3 ASP A 97 -3.071 30.966 -15.687 1.00 22.28 H new ATOM 1484 N GLY A 98 -3.044 27.148 -14.163 1.00 19.93 N ATOM 1485 CA GLY A 98 -3.487 25.785 -13.943 1.00 18.92 C ATOM 1486 C GLY A 98 -3.957 25.100 -15.213 1.00 18.54 C ATOM 1487 O GLY A 98 -4.801 24.205 -15.161 1.00 17.94 O ATOM 0 H GLY A 98 -2.133 27.234 -14.613 1.00 19.93 H new ATOM 0 HA2 GLY A 98 -2.670 25.209 -13.508 1.00 18.92 H new ATOM 0 HA3 GLY A 98 -4.299 25.786 -13.216 1.00 18.92 H new ATOM 1491 N PHE A 99 -3.413 25.513 -16.353 1.00 19.01 N ATOM 1492 CA PHE A 99 -3.792 24.920 -17.632 1.00 18.88 C ATOM 1493 C PHE A 99 -2.609 24.856 -18.595 1.00 18.97 C ATOM 1494 O PHE A 99 -1.812 25.792 -18.685 1.00 19.56 O ATOM 1495 CB PHE A 99 -4.937 25.709 -18.270 1.00 19.81 C ATOM 1496 CG PHE A 99 -6.277 25.446 -17.642 1.00 19.89 C ATOM 1497 CD1 PHE A 99 -7.045 24.367 -18.051 1.00 20.07 C ATOM 1498 CD2 PHE A 99 -6.769 26.275 -16.648 1.00 19.90 C ATOM 1499 CE1 PHE A 99 -8.279 24.120 -17.479 1.00 20.28 C ATOM 1500 CE2 PHE A 99 -8.002 26.033 -16.072 1.00 20.10 C ATOM 1501 CZ PHE A 99 -8.758 24.953 -16.489 1.00 20.30 C ATOM 0 H PHE A 99 -2.712 26.251 -16.419 1.00 19.01 H new ATOM 0 HA PHE A 99 -4.123 23.901 -17.433 1.00 18.88 H new ATOM 0 HB2 PHE A 99 -4.716 26.774 -18.200 1.00 19.81 H new ATOM 0 HB3 PHE A 99 -4.989 25.463 -19.331 1.00 19.81 H new ATOM 0 HD1 PHE A 99 -6.675 23.712 -18.826 1.00 20.07 H new ATOM 0 HD2 PHE A 99 -6.183 27.120 -16.319 1.00 19.90 H new ATOM 0 HE1 PHE A 99 -8.868 23.276 -17.807 1.00 20.28 H new ATOM 0 HE2 PHE A 99 -8.374 26.687 -15.297 1.00 20.10 H new ATOM 0 HZ PHE A 99 -9.722 24.762 -16.041 1.00 20.30 H new ATOM 1511 N ILE A 100 -2.506 23.739 -19.312 1.00 18.48 N ATOM 1512 CA ILE A 100 -1.436 23.540 -20.281 1.00 18.67 C ATOM 1513 C ILE A 100 -2.002 23.450 -21.696 1.00 19.37 C ATOM 1514 O ILE A 100 -2.870 22.622 -21.978 1.00 19.21 O ATOM 1515 CB ILE A 100 -0.628 22.263 -19.969 1.00 17.64 C ATOM 1516 CG1 ILE A 100 0.039 22.383 -18.595 1.00 16.97 C ATOM 1517 CG2 ILE A 100 0.412 22.007 -21.052 1.00 18.04 C ATOM 1518 CD1 ILE A 100 0.769 21.130 -18.160 1.00 15.92 C ATOM 0 H ILE A 100 -3.155 22.956 -19.238 1.00 18.48 H new ATOM 0 HA ILE A 100 -0.770 24.400 -20.213 1.00 18.67 H new ATOM 0 HB ILE A 100 -1.312 21.414 -19.950 1.00 17.64 H new ATOM 0 HG12 ILE A 100 0.743 23.215 -18.615 1.00 16.97 H new ATOM 0 HG13 ILE A 100 -0.721 22.626 -17.852 1.00 16.97 H new ATOM 0 HG21 ILE A 100 0.971 21.102 -20.813 1.00 18.04 H new ATOM 0 HG22 ILE A 100 -0.087 21.882 -22.013 1.00 18.04 H new ATOM 0 HG23 ILE A 100 1.097 22.853 -21.106 1.00 18.04 H new ATOM 0 HD11 ILE A 100 1.215 21.291 -17.179 1.00 15.92 H new ATOM 0 HD12 ILE A 100 0.066 20.299 -18.107 1.00 15.92 H new ATOM 0 HD13 ILE A 100 1.553 20.897 -18.881 1.00 15.92 H new ATOM 1530 N SER A 101 -1.502 24.304 -22.582 1.00 20.25 N ATOM 1531 CA SER A 101 -1.958 24.335 -23.968 1.00 21.07 C ATOM 1532 C SER A 101 -0.842 23.915 -24.919 1.00 21.23 C ATOM 1533 O SER A 101 0.331 24.011 -24.568 1.00 20.98 O ATOM 1534 CB SER A 101 -2.451 25.738 -24.333 1.00 22.16 C ATOM 1535 OG SER A 101 -3.653 26.051 -23.652 1.00 22.49 O ATOM 0 H SER A 101 -0.777 24.988 -22.364 1.00 20.25 H new ATOM 0 HA SER A 101 -2.782 23.628 -24.068 1.00 21.07 H new ATOM 0 HB2 SER A 101 -1.686 26.472 -24.082 1.00 22.16 H new ATOM 0 HB3 SER A 101 -2.612 25.801 -25.409 1.00 22.16 H new ATOM 0 HG SER A 101 -3.945 26.953 -23.901 1.00 22.49 H new ATOM 1541 N PRO A 102 -1.188 23.428 -26.131 1.00 21.74 N ATOM 1542 CA PRO A 102 -0.201 22.996 -27.121 1.00 22.05 C ATOM 1543 C PRO A 102 0.994 23.941 -27.193 1.00 22.55 C ATOM 1544 O PRO A 102 2.122 23.514 -27.448 1.00 22.43 O ATOM 1545 CB PRO A 102 -0.978 23.002 -28.449 1.00 23.00 C ATOM 1546 CG PRO A 102 -2.366 23.468 -28.121 1.00 22.78 C ATOM 1547 CD PRO A 102 -2.551 23.272 -26.644 1.00 22.19 C ATOM 0 HA PRO A 102 0.219 22.021 -26.873 1.00 22.05 H new ATOM 0 HB2 PRO A 102 -0.506 23.666 -29.173 1.00 23.00 H new ATOM 0 HB3 PRO A 102 -0.997 22.007 -28.893 1.00 23.00 H new ATOM 0 HG2 PRO A 102 -2.496 24.516 -28.391 1.00 22.78 H new ATOM 0 HG3 PRO A 102 -3.108 22.900 -28.682 1.00 22.78 H new ATOM 0 HD2 PRO A 102 -3.232 24.010 -26.219 1.00 22.19 H new ATOM 0 HD3 PRO A 102 -2.962 22.289 -26.413 1.00 22.19 H new ATOM 1555 N ALA A 103 0.742 25.225 -26.955 1.00 23.17 N ATOM 1556 CA ALA A 103 1.800 26.229 -26.978 1.00 23.77 C ATOM 1557 C ALA A 103 2.794 25.984 -25.849 1.00 23.02 C ATOM 1558 O ALA A 103 4.004 25.929 -26.068 1.00 23.22 O ATOM 1559 CB ALA A 103 1.207 27.625 -26.865 1.00 24.56 C ATOM 0 H ALA A 103 -0.185 25.594 -26.744 1.00 23.17 H new ATOM 0 HA ALA A 103 2.329 26.150 -27.928 1.00 23.77 H new ATOM 0 HB1 ALA A 103 2.009 28.363 -26.884 1.00 24.56 H new ATOM 0 HB2 ALA A 103 0.531 27.802 -27.702 1.00 24.56 H new ATOM 0 HB3 ALA A 103 0.656 27.711 -25.929 1.00 24.56 H new ATOM 1565 N GLU A 104 2.266 25.838 -24.639 1.00 22.23 N ATOM 1566 CA GLU A 104 3.090 25.595 -23.463 1.00 21.53 C ATOM 1567 C GLU A 104 3.706 24.202 -23.510 1.00 20.75 C ATOM 1568 O GLU A 104 4.770 23.969 -22.940 1.00 20.59 O ATOM 1569 CB GLU A 104 2.252 25.749 -22.192 1.00 20.94 C ATOM 1570 CG GLU A 104 1.714 27.155 -21.984 1.00 21.74 C ATOM 1571 CD GLU A 104 0.933 27.296 -20.691 1.00 21.28 C ATOM 1572 OE1 GLU A 104 1.565 27.315 -19.614 1.00 20.84 O ATOM 1573 OE2 GLU A 104 -0.311 27.387 -20.755 1.00 21.43 O ATOM 0 H GLU A 104 1.265 25.884 -24.447 1.00 22.23 H new ATOM 0 HA GLU A 104 3.895 26.329 -23.454 1.00 21.53 H new ATOM 0 HB2 GLU A 104 1.416 25.051 -22.232 1.00 20.94 H new ATOM 0 HB3 GLU A 104 2.859 25.470 -21.331 1.00 20.94 H new ATOM 0 HG2 GLU A 104 2.544 27.861 -21.981 1.00 21.74 H new ATOM 0 HG3 GLU A 104 1.072 27.422 -22.823 1.00 21.74 H new ATOM 1580 N LEU A 105 3.034 23.282 -24.199 1.00 20.36 N ATOM 1581 CA LEU A 105 3.510 21.907 -24.315 1.00 19.67 C ATOM 1582 C LEU A 105 4.768 21.831 -25.170 1.00 20.33 C ATOM 1583 O LEU A 105 5.794 21.308 -24.739 1.00 19.95 O ATOM 1584 CB LEU A 105 2.416 21.027 -24.926 1.00 19.42 C ATOM 1585 CG LEU A 105 2.637 19.514 -24.813 1.00 18.62 C ATOM 1586 CD1 LEU A 105 1.382 18.771 -25.217 1.00 17.90 C ATOM 1587 CD2 LEU A 105 3.791 19.057 -25.682 1.00 18.59 C ATOM 0 H LEU A 105 2.157 23.465 -24.686 1.00 20.36 H new ATOM 0 HA LEU A 105 3.753 21.547 -23.315 1.00 19.67 H new ATOM 0 HB2 LEU A 105 1.468 21.274 -24.448 1.00 19.42 H new ATOM 0 HB3 LEU A 105 2.317 21.283 -25.981 1.00 19.42 H new ATOM 0 HG LEU A 105 2.878 19.293 -23.773 1.00 18.62 H new ATOM 0 HD11 LEU A 105 1.552 17.698 -25.133 1.00 17.90 H new ATOM 0 HD12 LEU A 105 0.561 19.061 -24.562 1.00 17.90 H new ATOM 0 HD13 LEU A 105 1.129 19.018 -26.248 1.00 17.90 H new ATOM 0 HD21 LEU A 105 3.920 17.980 -25.578 1.00 18.59 H new ATOM 0 HD22 LEU A 105 3.580 19.298 -26.724 1.00 18.59 H new ATOM 0 HD23 LEU A 105 4.704 19.564 -25.370 1.00 18.59 H new ATOM 1599 N ARG A 106 4.682 22.338 -26.390 1.00 21.40 N ATOM 1600 CA ARG A 106 5.819 22.313 -27.294 1.00 22.20 C ATOM 1601 C ARG A 106 6.974 23.127 -26.725 1.00 22.44 C ATOM 1602 O ARG A 106 8.139 22.827 -26.967 1.00 22.57 O ATOM 1603 CB ARG A 106 5.417 22.847 -28.668 1.00 23.35 C ATOM 1604 CG ARG A 106 4.963 24.296 -28.661 1.00 24.22 C ATOM 1605 CD ARG A 106 6.100 25.232 -29.029 1.00 25.21 C ATOM 1606 NE ARG A 106 5.710 26.636 -28.930 1.00 25.76 N ATOM 1607 CZ ARG A 106 6.553 27.650 -29.106 1.00 26.69 C ATOM 1608 NH1 ARG A 106 7.827 27.418 -29.391 1.00 27.16 N ATOM 1609 NH2 ARG A 106 6.121 28.899 -28.995 1.00 27.19 N ATOM 0 H ARG A 106 3.841 22.769 -26.774 1.00 21.40 H new ATOM 0 HA ARG A 106 6.149 21.280 -27.405 1.00 22.20 H new ATOM 0 HB2 ARG A 106 6.264 22.746 -29.347 1.00 23.35 H new ATOM 0 HB3 ARG A 106 4.613 22.227 -29.066 1.00 23.35 H new ATOM 0 HG2 ARG A 106 4.141 24.425 -29.365 1.00 24.22 H new ATOM 0 HG3 ARG A 106 4.581 24.555 -27.673 1.00 24.22 H new ATOM 0 HD2 ARG A 106 6.950 25.045 -28.372 1.00 25.21 H new ATOM 0 HD3 ARG A 106 6.430 25.019 -30.046 1.00 25.21 H new ATOM 0 HE ARG A 106 4.737 26.851 -28.714 1.00 25.76 H new ATOM 0 HH11 ARG A 106 8.164 26.459 -29.476 1.00 27.16 H new ATOM 0 HH12 ARG A 106 8.470 28.198 -29.525 1.00 27.16 H new ATOM 0 HH21 ARG A 106 5.142 29.082 -28.775 1.00 27.19 H new ATOM 0 HH22 ARG A 106 6.768 29.676 -29.130 1.00 27.19 H new ATOM 1623 N PHE A 107 6.633 24.157 -25.961 1.00 22.61 N ATOM 1624 CA PHE A 107 7.633 25.028 -25.350 1.00 22.97 C ATOM 1625 C PHE A 107 8.338 24.354 -24.170 1.00 22.14 C ATOM 1626 O PHE A 107 9.536 24.553 -23.965 1.00 22.53 O ATOM 1627 CB PHE A 107 6.985 26.336 -24.886 1.00 23.24 C ATOM 1628 CG PHE A 107 7.977 27.362 -24.414 1.00 23.93 C ATOM 1629 CD1 PHE A 107 8.650 28.165 -25.321 1.00 24.48 C ATOM 1630 CD2 PHE A 107 8.236 27.522 -23.062 1.00 24.11 C ATOM 1631 CE1 PHE A 107 9.562 29.108 -24.889 1.00 25.19 C ATOM 1632 CE2 PHE A 107 9.147 28.465 -22.623 1.00 24.82 C ATOM 1633 CZ PHE A 107 9.809 29.262 -23.542 1.00 25.36 C ATOM 0 H PHE A 107 5.668 24.411 -25.748 1.00 22.61 H new ATOM 0 HA PHE A 107 8.384 25.240 -26.111 1.00 22.97 H new ATOM 0 HB2 PHE A 107 6.403 26.755 -25.707 1.00 23.24 H new ATOM 0 HB3 PHE A 107 6.286 26.119 -24.078 1.00 23.24 H new ATOM 0 HD1 PHE A 107 8.459 28.052 -26.378 1.00 24.48 H new ATOM 0 HD2 PHE A 107 7.720 26.903 -22.343 1.00 24.11 H new ATOM 0 HE1 PHE A 107 10.082 29.725 -25.607 1.00 25.19 H new ATOM 0 HE2 PHE A 107 9.342 28.580 -21.567 1.00 24.82 H new ATOM 0 HZ PHE A 107 10.518 30.003 -23.203 1.00 25.36 H new ATOM 1643 N VAL A 108 7.601 23.559 -23.394 1.00 21.06 N ATOM 1644 CA VAL A 108 8.182 22.881 -22.233 1.00 20.23 C ATOM 1645 C VAL A 108 8.958 21.628 -22.633 1.00 20.08 C ATOM 1646 O VAL A 108 10.064 21.396 -22.146 1.00 20.21 O ATOM 1647 CB VAL A 108 7.115 22.501 -21.195 1.00 19.12 C ATOM 1648 CG1 VAL A 108 6.078 21.616 -21.832 1.00 18.33 C ATOM 1649 CG2 VAL A 108 7.750 21.817 -19.993 1.00 19.13 C ATOM 0 H VAL A 108 6.610 23.369 -23.545 1.00 21.06 H new ATOM 0 HA VAL A 108 8.872 23.596 -21.785 1.00 20.23 H new ATOM 0 HB VAL A 108 6.629 23.410 -20.840 1.00 19.12 H new ATOM 0 HG11 VAL A 108 5.323 21.349 -21.092 1.00 18.33 H new ATOM 0 HG12 VAL A 108 5.605 22.147 -22.658 1.00 18.33 H new ATOM 0 HG13 VAL A 108 6.554 20.710 -22.208 1.00 18.33 H new ATOM 0 HG21 VAL A 108 6.976 21.557 -19.271 1.00 19.13 H new ATOM 0 HG22 VAL A 108 8.262 20.911 -20.318 1.00 19.13 H new ATOM 0 HG23 VAL A 108 8.468 22.492 -19.527 1.00 19.13 H new ATOM 1659 N MET A 109 8.373 20.825 -23.516 1.00 19.93 N ATOM 1660 CA MET A 109 9.007 19.593 -23.972 1.00 19.90 C ATOM 1661 C MET A 109 10.421 19.850 -24.483 1.00 20.93 C ATOM 1662 O MET A 109 11.329 19.050 -24.251 1.00 20.91 O ATOM 1663 CB MET A 109 8.165 18.940 -25.066 1.00 20.00 C ATOM 1664 CG MET A 109 6.971 18.160 -24.537 1.00 18.99 C ATOM 1665 SD MET A 109 7.460 16.677 -23.637 1.00 18.30 S ATOM 1666 CE MET A 109 5.899 15.807 -23.546 1.00 17.64 C ATOM 0 H MET A 109 7.459 21.006 -23.931 1.00 19.93 H new ATOM 0 HA MET A 109 9.075 18.917 -23.119 1.00 19.90 H new ATOM 0 HB2 MET A 109 7.810 19.712 -25.748 1.00 20.00 H new ATOM 0 HB3 MET A 109 8.798 18.269 -25.647 1.00 20.00 H new ATOM 0 HG2 MET A 109 6.383 18.802 -23.881 1.00 18.99 H new ATOM 0 HG3 MET A 109 6.326 17.880 -25.370 1.00 18.99 H new ATOM 0 HE1 MET A 109 6.038 14.865 -23.015 1.00 17.64 H new ATOM 0 HE2 MET A 109 5.171 16.420 -23.014 1.00 17.64 H new ATOM 0 HE3 MET A 109 5.536 15.605 -24.554 1.00 17.64 H new ATOM 1676 N ILE A 110 10.606 20.966 -25.181 1.00 21.91 N ATOM 1677 CA ILE A 110 11.916 21.322 -25.710 1.00 22.98 C ATOM 1678 C ILE A 110 12.893 21.604 -24.574 1.00 22.97 C ATOM 1679 O ILE A 110 14.084 21.307 -24.677 1.00 23.58 O ATOM 1680 CB ILE A 110 11.837 22.551 -26.638 1.00 24.01 C ATOM 1681 CG1 ILE A 110 10.925 22.250 -27.829 1.00 24.18 C ATOM 1682 CG2 ILE A 110 13.225 22.953 -27.116 1.00 25.13 C ATOM 1683 CD1 ILE A 110 10.605 23.466 -28.672 1.00 25.10 C ATOM 0 H ILE A 110 9.867 21.637 -25.392 1.00 21.91 H new ATOM 0 HA ILE A 110 12.272 20.473 -26.293 1.00 22.98 H new ATOM 0 HB ILE A 110 11.417 23.386 -26.077 1.00 24.01 H new ATOM 0 HG12 ILE A 110 11.400 21.497 -28.458 1.00 24.18 H new ATOM 0 HG13 ILE A 110 9.994 21.818 -27.462 1.00 24.18 H new ATOM 0 HG21 ILE A 110 13.147 23.822 -27.769 1.00 25.13 H new ATOM 0 HG22 ILE A 110 13.848 23.200 -26.257 1.00 25.13 H new ATOM 0 HG23 ILE A 110 13.675 22.125 -27.665 1.00 25.13 H new ATOM 0 HD11 ILE A 110 9.955 23.176 -29.497 1.00 25.10 H new ATOM 0 HD12 ILE A 110 10.101 24.212 -28.058 1.00 25.10 H new ATOM 0 HD13 ILE A 110 11.529 23.887 -29.069 1.00 25.10 H new ATOM 1695 N ASN A 111 12.379 22.175 -23.489 1.00 22.36 N ATOM 1696 CA ASN A 111 13.203 22.489 -22.328 1.00 22.40 C ATOM 1697 C ASN A 111 13.722 21.210 -21.682 1.00 21.78 C ATOM 1698 O ASN A 111 14.736 21.221 -20.983 1.00 22.21 O ATOM 1699 CB ASN A 111 12.402 23.301 -21.308 1.00 21.96 C ATOM 1700 CG ASN A 111 11.846 24.582 -21.897 1.00 22.60 C ATOM 1701 OD1 ASN A 111 10.714 25.034 -21.368 1.00 23.32 O flip ATOM 1702 ND2 ASN A 111 12.427 25.162 -22.814 1.00 22.44 N flip ATOM 0 H ASN A 111 11.396 22.429 -23.390 1.00 22.36 H new ATOM 0 HA ASN A 111 14.053 23.084 -22.662 1.00 22.40 H new ATOM 0 HB2 ASN A 111 11.581 22.693 -20.928 1.00 21.96 H new ATOM 0 HB3 ASN A 111 13.040 23.542 -20.458 1.00 21.96 H new ATOM 0 HD21 ASN A 111 13.294 24.780 -23.191 1.00 22.44 H new ATOM 0 HD22 ASN A 111 12.041 26.025 -23.197 1.00 22.44 H new ATOM 1709 N LEU A 112 13.018 20.108 -21.925 1.00 20.83 N ATOM 1710 CA LEU A 112 13.405 18.815 -21.375 1.00 20.19 C ATOM 1711 C LEU A 112 14.374 18.104 -22.312 1.00 20.95 C ATOM 1712 O LEU A 112 15.199 17.300 -21.877 1.00 21.07 O ATOM 1713 CB LEU A 112 12.172 17.938 -21.154 1.00 19.00 C ATOM 1714 CG LEU A 112 10.920 18.675 -20.673 1.00 18.25 C ATOM 1715 CD1 LEU A 112 9.739 17.720 -20.598 1.00 17.58 C ATOM 1716 CD2 LEU A 112 11.164 19.329 -19.321 1.00 17.84 C ATOM 0 H LEU A 112 12.176 20.086 -22.500 1.00 20.83 H new ATOM 0 HA LEU A 112 13.897 18.988 -20.418 1.00 20.19 H new ATOM 0 HB2 LEU A 112 11.937 17.429 -22.089 1.00 19.00 H new ATOM 0 HB3 LEU A 112 12.421 17.167 -20.425 1.00 19.00 H new ATOM 0 HG LEU A 112 10.687 19.460 -21.393 1.00 18.25 H new ATOM 0 HD11 LEU A 112 8.856 18.259 -20.254 1.00 17.58 H new ATOM 0 HD12 LEU A 112 9.547 17.301 -21.586 1.00 17.58 H new ATOM 0 HD13 LEU A 112 9.966 16.914 -19.900 1.00 17.58 H new ATOM 0 HD21 LEU A 112 10.261 19.847 -18.999 1.00 17.84 H new ATOM 0 HD22 LEU A 112 11.425 18.565 -18.589 1.00 17.84 H new ATOM 0 HD23 LEU A 112 11.982 20.045 -19.405 1.00 17.84 H new ATOM 1728 N GLY A 113 14.265 18.409 -23.603 1.00 21.57 N ATOM 1729 CA GLY A 113 15.130 17.791 -24.590 1.00 22.41 C ATOM 1730 C GLY A 113 14.401 16.756 -25.423 1.00 22.40 C ATOM 1731 O GLY A 113 15.022 15.999 -26.169 1.00 23.05 O ATOM 0 H GLY A 113 13.591 19.074 -23.982 1.00 21.57 H new ATOM 0 HA2 GLY A 113 15.538 18.560 -25.245 1.00 22.41 H new ATOM 0 HA3 GLY A 113 15.974 17.320 -24.087 1.00 22.41 H new ATOM 1735 N GLU A 114 13.077 16.726 -25.295 1.00 21.76 N ATOM 1736 CA GLU A 114 12.255 15.775 -26.035 1.00 21.80 C ATOM 1737 C GLU A 114 12.133 16.172 -27.501 1.00 22.59 C ATOM 1738 O GLU A 114 12.084 15.314 -28.381 1.00 22.48 O ATOM 1739 CB GLU A 114 10.863 15.682 -25.406 1.00 20.80 C ATOM 1740 CG GLU A 114 10.881 15.250 -23.947 1.00 20.26 C ATOM 1741 CD GLU A 114 11.409 13.841 -23.761 1.00 20.12 C ATOM 1742 OE1 GLU A 114 12.637 13.685 -23.600 1.00 19.96 O ATOM 1743 OE2 GLU A 114 10.595 12.895 -23.779 1.00 20.27 O ATOM 0 H GLU A 114 12.551 17.351 -24.684 1.00 21.76 H new ATOM 0 HA GLU A 114 12.742 14.801 -25.985 1.00 21.80 H new ATOM 0 HB2 GLU A 114 10.373 16.653 -25.483 1.00 20.80 H new ATOM 0 HB3 GLU A 114 10.262 14.975 -25.978 1.00 20.80 H new ATOM 0 HG2 GLU A 114 11.497 15.943 -23.375 1.00 20.26 H new ATOM 0 HG3 GLU A 114 9.871 15.312 -23.541 1.00 20.26 H new ATOM 1750 N LYS A 115 12.092 17.474 -27.752 1.00 23.45 N ATOM 1751 CA LYS A 115 11.970 17.995 -29.112 1.00 24.32 C ATOM 1752 C LYS A 115 10.764 17.384 -29.819 1.00 23.94 C ATOM 1753 O LYS A 115 10.869 16.338 -30.462 1.00 23.86 O ATOM 1754 CB LYS A 115 13.247 17.713 -29.910 1.00 25.48 C ATOM 1755 CG LYS A 115 13.230 18.295 -31.315 1.00 26.26 C ATOM 1756 CD LYS A 115 13.148 19.815 -31.292 1.00 26.75 C ATOM 1757 CE LYS A 115 13.092 20.391 -32.697 1.00 27.55 C ATOM 1758 NZ LYS A 115 12.990 21.876 -32.685 1.00 27.96 N ATOM 0 H LYS A 115 12.141 18.193 -27.030 1.00 23.45 H new ATOM 0 HA LYS A 115 11.825 19.074 -29.050 1.00 24.32 H new ATOM 0 HB2 LYS A 115 14.101 18.119 -29.368 1.00 25.48 H new ATOM 0 HB3 LYS A 115 13.394 16.635 -29.974 1.00 25.48 H new ATOM 0 HG2 LYS A 115 14.130 17.987 -31.848 1.00 26.26 H new ATOM 0 HG3 LYS A 115 12.380 17.893 -31.866 1.00 26.26 H new ATOM 0 HD2 LYS A 115 12.263 20.124 -30.735 1.00 26.75 H new ATOM 0 HD3 LYS A 115 14.013 20.219 -30.766 1.00 26.75 H new ATOM 0 HE2 LYS A 115 13.984 20.093 -33.247 1.00 27.55 H new ATOM 0 HE3 LYS A 115 12.236 19.973 -33.227 1.00 27.55 H new ATOM 0 HZ1 LYS A 115 12.954 22.229 -33.662 1.00 27.96 H new ATOM 0 HZ2 LYS A 115 12.125 22.161 -32.182 1.00 27.96 H new ATOM 0 HZ3 LYS A 115 13.819 22.277 -32.202 1.00 27.96 H new ATOM 1772 N VAL A 116 9.620 18.050 -29.697 1.00 23.78 N ATOM 1773 CA VAL A 116 8.385 17.576 -30.312 1.00 23.53 C ATOM 1774 C VAL A 116 7.770 18.629 -31.224 1.00 24.38 C ATOM 1775 O VAL A 116 8.017 19.825 -31.070 1.00 24.75 O ATOM 1776 CB VAL A 116 7.345 17.183 -29.250 1.00 22.24 C ATOM 1777 CG1 VAL A 116 7.670 15.826 -28.648 1.00 21.40 C ATOM 1778 CG2 VAL A 116 7.265 18.251 -28.169 1.00 21.91 C ATOM 0 H VAL A 116 9.523 18.922 -29.176 1.00 23.78 H new ATOM 0 HA VAL A 116 8.654 16.700 -30.903 1.00 23.53 H new ATOM 0 HB VAL A 116 6.371 17.108 -29.733 1.00 22.24 H new ATOM 0 HG11 VAL A 116 6.920 15.571 -27.900 1.00 21.40 H new ATOM 0 HG12 VAL A 116 7.671 15.070 -29.433 1.00 21.40 H new ATOM 0 HG13 VAL A 116 8.653 15.862 -28.178 1.00 21.40 H new ATOM 0 HG21 VAL A 116 6.525 17.960 -27.424 1.00 21.91 H new ATOM 0 HG22 VAL A 116 8.239 18.358 -27.691 1.00 21.91 H new ATOM 0 HG23 VAL A 116 6.974 19.201 -28.617 1.00 21.91 H new ATOM 1788 N THR A 117 6.966 18.168 -32.176 1.00 24.76 N ATOM 1789 CA THR A 117 6.300 19.053 -33.119 1.00 25.62 C ATOM 1790 C THR A 117 4.861 19.300 -32.685 1.00 25.03 C ATOM 1791 O THR A 117 4.221 18.422 -32.106 1.00 24.12 O ATOM 1792 CB THR A 117 6.299 18.461 -34.539 1.00 26.54 C ATOM 1793 OG1 THR A 117 5.517 17.260 -34.570 1.00 25.98 O ATOM 1794 CG2 THR A 117 7.718 18.156 -34.998 1.00 27.24 C ATOM 0 H THR A 117 6.760 17.179 -32.314 1.00 24.76 H new ATOM 0 HA THR A 117 6.852 19.993 -33.131 1.00 25.62 H new ATOM 0 HB THR A 117 5.863 19.197 -35.215 1.00 26.54 H new ATOM 0 HG1 THR A 117 5.520 16.891 -35.478 1.00 25.98 H new ATOM 0 HG21 THR A 117 7.693 17.738 -36.004 1.00 27.24 H new ATOM 0 HG22 THR A 117 8.305 19.075 -35.001 1.00 27.24 H new ATOM 0 HG23 THR A 117 8.174 17.436 -34.318 1.00 27.24 H new ATOM 1802 N ASP A 118 4.358 20.497 -32.970 1.00 25.62 N ATOM 1803 CA ASP A 118 2.995 20.866 -32.602 1.00 25.26 C ATOM 1804 C ASP A 118 1.982 19.847 -33.119 1.00 25.12 C ATOM 1805 O ASP A 118 0.849 19.799 -32.646 1.00 24.60 O ATOM 1806 CB ASP A 118 2.657 22.254 -33.149 1.00 26.22 C ATOM 1807 CG ASP A 118 3.600 23.323 -32.634 1.00 26.44 C ATOM 1808 OD1 ASP A 118 3.358 23.844 -31.525 1.00 26.63 O ATOM 1809 OD2 ASP A 118 4.579 23.642 -33.341 1.00 26.51 O ATOM 0 H ASP A 118 4.875 21.230 -33.456 1.00 25.62 H new ATOM 0 HA ASP A 118 2.938 20.881 -31.514 1.00 25.26 H new ATOM 0 HB2 ASP A 118 2.697 22.232 -34.238 1.00 26.22 H new ATOM 0 HB3 ASP A 118 1.635 22.511 -32.873 1.00 26.22 H new ATOM 1814 N GLU A 119 2.398 19.033 -34.085 1.00 25.66 N ATOM 1815 CA GLU A 119 1.517 18.021 -34.661 1.00 25.70 C ATOM 1816 C GLU A 119 1.428 16.785 -33.766 1.00 24.54 C ATOM 1817 O GLU A 119 0.337 16.378 -33.360 1.00 24.02 O ATOM 1818 CB GLU A 119 2.014 17.621 -36.052 1.00 26.79 C ATOM 1819 CG GLU A 119 2.097 18.783 -37.029 1.00 27.99 C ATOM 1820 CD GLU A 119 0.734 19.332 -37.402 1.00 28.61 C ATOM 1821 OE1 GLU A 119 0.175 20.121 -36.611 1.00 29.14 O ATOM 1822 OE2 GLU A 119 0.224 18.973 -38.485 1.00 28.61 O ATOM 0 H GLU A 119 3.336 19.054 -34.485 1.00 25.66 H new ATOM 0 HA GLU A 119 0.520 18.453 -34.742 1.00 25.70 H new ATOM 0 HB2 GLU A 119 3.000 17.165 -35.959 1.00 26.79 H new ATOM 0 HB3 GLU A 119 1.349 16.861 -36.461 1.00 26.79 H new ATOM 0 HG2 GLU A 119 2.697 19.580 -36.590 1.00 27.99 H new ATOM 0 HG3 GLU A 119 2.612 18.457 -37.932 1.00 27.99 H new ATOM 1829 N GLU A 120 2.581 16.195 -33.454 1.00 24.19 N ATOM 1830 CA GLU A 120 2.628 15.003 -32.616 1.00 23.13 C ATOM 1831 C GLU A 120 2.070 15.278 -31.224 1.00 21.97 C ATOM 1832 O GLU A 120 1.435 14.411 -30.619 1.00 21.17 O ATOM 1833 CB GLU A 120 4.058 14.471 -32.516 1.00 23.10 C ATOM 1834 CG GLU A 120 5.033 15.430 -31.855 1.00 22.97 C ATOM 1835 CD GLU A 120 6.429 14.848 -31.745 1.00 23.00 C ATOM 1836 OE1 GLU A 120 6.624 13.917 -30.936 1.00 22.54 O ATOM 1837 OE2 GLU A 120 7.330 15.327 -32.465 1.00 23.55 O ATOM 0 H GLU A 120 3.493 16.524 -33.770 1.00 24.19 H new ATOM 0 HA GLU A 120 2.002 14.245 -33.087 1.00 23.13 H new ATOM 0 HB2 GLU A 120 4.048 13.536 -31.955 1.00 23.10 H new ATOM 0 HB3 GLU A 120 4.418 14.237 -33.518 1.00 23.10 H new ATOM 0 HG2 GLU A 120 5.072 16.356 -32.428 1.00 22.97 H new ATOM 0 HG3 GLU A 120 4.669 15.686 -30.860 1.00 22.97 H new ATOM 1844 N ILE A 121 2.301 16.485 -30.716 1.00 21.93 N ATOM 1845 CA ILE A 121 1.813 16.847 -29.394 1.00 20.94 C ATOM 1846 C ILE A 121 0.327 17.179 -29.428 1.00 20.97 C ATOM 1847 O ILE A 121 -0.391 16.916 -28.466 1.00 20.10 O ATOM 1848 CB ILE A 121 2.600 18.023 -28.786 1.00 21.05 C ATOM 1849 CG1 ILE A 121 2.480 19.277 -29.653 1.00 22.23 C ATOM 1850 CG2 ILE A 121 4.057 17.633 -28.623 1.00 20.98 C ATOM 1851 CD1 ILE A 121 2.588 20.565 -28.867 1.00 22.33 C ATOM 0 H ILE A 121 2.818 17.221 -31.196 1.00 21.93 H new ATOM 0 HA ILE A 121 1.967 15.976 -28.757 1.00 20.94 H new ATOM 0 HB ILE A 121 2.176 18.253 -27.809 1.00 21.05 H new ATOM 0 HG12 ILE A 121 3.259 19.259 -30.415 1.00 22.23 H new ATOM 0 HG13 ILE A 121 1.523 19.258 -30.175 1.00 22.23 H new ATOM 0 HG21 ILE A 121 4.611 18.467 -28.193 1.00 20.98 H new ATOM 0 HG22 ILE A 121 4.131 16.769 -27.962 1.00 20.98 H new ATOM 0 HG23 ILE A 121 4.478 17.382 -29.597 1.00 20.98 H new ATOM 0 HD11 ILE A 121 2.494 21.414 -29.545 1.00 22.33 H new ATOM 0 HD12 ILE A 121 1.792 20.605 -28.123 1.00 22.33 H new ATOM 0 HD13 ILE A 121 3.555 20.606 -28.366 1.00 22.33 H new ATOM 1863 N ASP A 122 -0.133 17.758 -30.534 1.00 22.05 N ATOM 1864 CA ASP A 122 -1.545 18.093 -30.677 1.00 22.30 C ATOM 1865 C ASP A 122 -2.390 16.844 -30.467 1.00 21.86 C ATOM 1866 O ASP A 122 -3.400 16.868 -29.761 1.00 21.46 O ATOM 1867 CB ASP A 122 -1.820 18.690 -32.060 1.00 23.63 C ATOM 1868 CG ASP A 122 -3.284 19.033 -32.263 1.00 24.02 C ATOM 1869 OD1 ASP A 122 -4.051 18.139 -32.676 1.00 24.14 O ATOM 1870 OD2 ASP A 122 -3.660 20.197 -32.010 1.00 24.29 O ATOM 0 H ASP A 122 0.446 18.003 -31.337 1.00 22.05 H new ATOM 0 HA ASP A 122 -1.808 18.837 -29.925 1.00 22.30 H new ATOM 0 HB2 ASP A 122 -1.218 19.589 -32.191 1.00 23.63 H new ATOM 0 HB3 ASP A 122 -1.506 17.982 -32.827 1.00 23.63 H new ATOM 1875 N GLU A 123 -1.959 15.747 -31.085 1.00 22.03 N ATOM 1876 CA GLU A 123 -2.655 14.474 -30.959 1.00 21.74 C ATOM 1877 C GLU A 123 -2.532 13.945 -29.534 1.00 20.39 C ATOM 1878 O GLU A 123 -3.501 13.446 -28.961 1.00 20.02 O ATOM 1879 CB GLU A 123 -2.084 13.456 -31.948 1.00 22.27 C ATOM 1880 CG GLU A 123 -2.190 13.892 -33.401 1.00 23.66 C ATOM 1881 CD GLU A 123 -3.625 14.099 -33.846 1.00 24.40 C ATOM 1882 OE1 GLU A 123 -4.140 15.224 -33.681 1.00 24.74 O ATOM 1883 OE2 GLU A 123 -4.232 13.136 -34.360 1.00 24.71 O ATOM 0 H GLU A 123 -1.130 15.717 -31.678 1.00 22.03 H new ATOM 0 HA GLU A 123 -3.709 14.630 -31.187 1.00 21.74 H new ATOM 0 HB2 GLU A 123 -1.036 13.276 -31.707 1.00 22.27 H new ATOM 0 HB3 GLU A 123 -2.607 12.508 -31.823 1.00 22.27 H new ATOM 0 HG2 GLU A 123 -1.634 14.819 -33.540 1.00 23.66 H new ATOM 0 HG3 GLU A 123 -1.721 13.141 -34.037 1.00 23.66 H new ATOM 1890 N MET A 124 -1.331 14.059 -28.970 1.00 19.71 N ATOM 1891 CA MET A 124 -1.073 13.601 -27.607 1.00 18.41 C ATOM 1892 C MET A 124 -1.995 14.298 -26.613 1.00 17.96 C ATOM 1893 O MET A 124 -2.450 13.691 -25.643 1.00 17.13 O ATOM 1894 CB MET A 124 0.387 13.853 -27.227 1.00 17.97 C ATOM 1895 CG MET A 124 0.683 13.631 -25.750 1.00 16.63 C ATOM 1896 SD MET A 124 2.441 13.749 -25.366 1.00 16.29 S ATOM 1897 CE MET A 124 2.742 15.483 -25.697 1.00 17.07 C ATOM 0 H MET A 124 -0.520 14.465 -29.437 1.00 19.71 H new ATOM 0 HA MET A 124 -1.271 12.530 -27.570 1.00 18.41 H new ATOM 0 HB2 MET A 124 1.025 13.197 -27.819 1.00 17.97 H new ATOM 0 HB3 MET A 124 0.650 14.877 -27.491 1.00 17.97 H new ATOM 0 HG2 MET A 124 0.136 14.366 -25.160 1.00 16.63 H new ATOM 0 HG3 MET A 124 0.316 12.648 -25.454 1.00 16.63 H new ATOM 0 HE1 MET A 124 3.698 15.595 -26.209 1.00 17.07 H new ATOM 0 HE2 MET A 124 1.944 15.877 -26.327 1.00 17.07 H new ATOM 0 HE3 MET A 124 2.767 16.034 -24.757 1.00 17.07 H new ATOM 1907 N ILE A 125 -2.266 15.576 -26.858 1.00 18.60 N ATOM 1908 CA ILE A 125 -3.133 16.349 -25.983 1.00 18.41 C ATOM 1909 C ILE A 125 -4.555 15.808 -26.033 1.00 18.72 C ATOM 1910 O ILE A 125 -5.201 15.634 -25.001 1.00 18.18 O ATOM 1911 CB ILE A 125 -3.135 17.843 -26.367 1.00 19.25 C ATOM 1912 CG1 ILE A 125 -1.746 18.440 -26.137 1.00 19.04 C ATOM 1913 CG2 ILE A 125 -4.188 18.602 -25.569 1.00 19.27 C ATOM 1914 CD1 ILE A 125 -1.620 19.891 -26.555 1.00 19.95 C ATOM 0 H ILE A 125 -1.897 16.095 -27.655 1.00 18.60 H new ATOM 0 HA ILE A 125 -2.744 16.255 -24.969 1.00 18.41 H new ATOM 0 HB ILE A 125 -3.385 17.935 -27.424 1.00 19.25 H new ATOM 0 HG12 ILE A 125 -1.496 18.355 -25.080 1.00 19.04 H new ATOM 0 HG13 ILE A 125 -1.013 17.850 -26.687 1.00 19.04 H new ATOM 0 HG21 ILE A 125 -4.173 19.654 -25.855 1.00 19.27 H new ATOM 0 HG22 ILE A 125 -5.173 18.184 -25.776 1.00 19.27 H new ATOM 0 HG23 ILE A 125 -3.972 18.512 -24.504 1.00 19.27 H new ATOM 0 HD11 ILE A 125 -0.606 20.239 -26.359 1.00 19.95 H new ATOM 0 HD12 ILE A 125 -1.836 19.983 -27.619 1.00 19.95 H new ATOM 0 HD13 ILE A 125 -2.327 20.496 -25.987 1.00 19.95 H new ATOM 1926 N ARG A 126 -5.031 15.542 -27.246 1.00 19.67 N ATOM 1927 CA ARG A 126 -6.376 15.014 -27.442 1.00 20.18 C ATOM 1928 C ARG A 126 -6.559 13.689 -26.705 1.00 19.36 C ATOM 1929 O ARG A 126 -7.623 13.420 -26.148 1.00 19.42 O ATOM 1930 CB ARG A 126 -6.657 14.822 -28.934 1.00 21.37 C ATOM 1931 CG ARG A 126 -8.021 14.220 -29.226 1.00 22.05 C ATOM 1932 CD ARG A 126 -8.214 13.968 -30.712 1.00 22.88 C ATOM 1933 NE ARG A 126 -9.494 13.327 -30.997 1.00 23.53 N ATOM 1934 CZ ARG A 126 -10.083 13.349 -32.189 1.00 24.32 C ATOM 1935 NH1 ARG A 126 -9.512 13.990 -33.201 1.00 24.55 N ATOM 1936 NH2 ARG A 126 -11.242 12.734 -32.370 1.00 24.95 N ATOM 0 H ARG A 126 -4.504 15.684 -28.108 1.00 19.67 H new ATOM 0 HA ARG A 126 -7.083 15.735 -27.033 1.00 20.18 H new ATOM 0 HB2 ARG A 126 -6.580 15.786 -29.436 1.00 21.37 H new ATOM 0 HB3 ARG A 126 -5.887 14.179 -29.360 1.00 21.37 H new ATOM 0 HG2 ARG A 126 -8.130 13.283 -28.680 1.00 22.05 H new ATOM 0 HG3 ARG A 126 -8.800 14.891 -28.866 1.00 22.05 H new ATOM 0 HD2 ARG A 126 -8.154 14.914 -31.251 1.00 22.88 H new ATOM 0 HD3 ARG A 126 -7.404 13.339 -31.081 1.00 22.88 H new ATOM 0 HE ARG A 126 -9.964 12.834 -30.238 1.00 23.53 H new ATOM 0 HH11 ARG A 126 -8.620 14.466 -33.065 1.00 24.55 H new ATOM 0 HH12 ARG A 126 -9.965 14.006 -34.115 1.00 24.55 H new ATOM 0 HH21 ARG A 126 -11.685 12.242 -31.594 1.00 24.95 H new ATOM 0 HH22 ARG A 126 -11.692 12.752 -33.285 1.00 24.95 H new ATOM 1950 N GLU A 127 -5.514 12.866 -26.708 1.00 18.69 N ATOM 1951 CA GLU A 127 -5.559 11.567 -26.042 1.00 17.91 C ATOM 1952 C GLU A 127 -5.761 11.728 -24.539 1.00 16.85 C ATOM 1953 O GLU A 127 -6.321 10.850 -23.881 1.00 16.48 O ATOM 1954 CB GLU A 127 -4.272 10.788 -26.315 1.00 17.50 C ATOM 1955 CG GLU A 127 -4.066 10.452 -27.783 1.00 18.61 C ATOM 1956 CD GLU A 127 -2.816 9.631 -28.026 1.00 18.51 C ATOM 1957 OE1 GLU A 127 -1.720 10.226 -28.096 1.00 18.54 O ATOM 1958 OE2 GLU A 127 -2.932 8.394 -28.149 1.00 18.51 O ATOM 0 H GLU A 127 -4.626 13.075 -27.164 1.00 18.69 H new ATOM 0 HA GLU A 127 -6.406 11.011 -26.444 1.00 17.91 H new ATOM 0 HB2 GLU A 127 -3.422 11.371 -25.961 1.00 17.50 H new ATOM 0 HB3 GLU A 127 -4.287 9.864 -25.738 1.00 17.50 H new ATOM 0 HG2 GLU A 127 -4.933 9.903 -28.151 1.00 18.61 H new ATOM 0 HG3 GLU A 127 -4.006 11.376 -28.358 1.00 18.61 H new ATOM 1965 N ALA A 128 -5.301 12.853 -24.001 1.00 16.47 N ATOM 1966 CA ALA A 128 -5.431 13.128 -22.576 1.00 15.57 C ATOM 1967 C ALA A 128 -6.548 14.130 -22.312 1.00 16.23 C ATOM 1968 O ALA A 128 -6.897 14.398 -21.162 1.00 15.78 O ATOM 1969 CB ALA A 128 -4.115 13.647 -22.018 1.00 14.84 C ATOM 0 H ALA A 128 -4.835 13.589 -24.531 1.00 16.47 H new ATOM 0 HA ALA A 128 -5.686 12.196 -22.072 1.00 15.57 H new ATOM 0 HB1 ALA A 128 -4.226 13.849 -20.953 1.00 14.84 H new ATOM 0 HB2 ALA A 128 -3.336 12.899 -22.167 1.00 14.84 H new ATOM 0 HB3 ALA A 128 -3.838 14.566 -22.534 1.00 14.84 H new ATOM 1975 N ASP A 129 -7.108 14.678 -23.384 1.00 17.37 N ATOM 1976 CA ASP A 129 -8.181 15.658 -23.270 1.00 18.16 C ATOM 1977 C ASP A 129 -9.512 15.070 -23.729 1.00 18.88 C ATOM 1978 O ASP A 129 -9.780 14.973 -24.927 1.00 19.74 O ATOM 1979 CB ASP A 129 -7.845 16.906 -24.089 1.00 19.04 C ATOM 1980 CG ASP A 129 -8.856 18.020 -23.901 1.00 19.91 C ATOM 1981 OD1 ASP A 129 -9.688 17.915 -22.976 1.00 20.17 O ATOM 1982 OD2 ASP A 129 -8.818 18.996 -24.678 1.00 20.40 O ATOM 0 H ASP A 129 -6.836 14.460 -24.343 1.00 17.37 H new ATOM 0 HA ASP A 129 -8.277 15.936 -22.220 1.00 18.16 H new ATOM 0 HB2 ASP A 129 -6.856 17.267 -23.805 1.00 19.04 H new ATOM 0 HB3 ASP A 129 -7.796 16.640 -25.145 1.00 19.04 H new ATOM 1987 N PHE A 130 -10.339 14.679 -22.764 1.00 18.61 N ATOM 1988 CA PHE A 130 -11.645 14.099 -23.060 1.00 19.35 C ATOM 1989 C PHE A 130 -12.599 15.153 -23.614 1.00 20.46 C ATOM 1990 O PHE A 130 -13.252 14.936 -24.633 1.00 21.43 O ATOM 1991 CB PHE A 130 -12.240 13.464 -21.803 1.00 18.69 C ATOM 1992 CG PHE A 130 -11.486 12.255 -21.329 1.00 17.66 C ATOM 1993 CD1 PHE A 130 -10.390 12.389 -20.491 1.00 17.35 C ATOM 1994 CD2 PHE A 130 -11.871 10.985 -21.724 1.00 17.07 C ATOM 1995 CE1 PHE A 130 -9.694 11.279 -20.056 1.00 16.46 C ATOM 1996 CE2 PHE A 130 -11.178 9.870 -21.291 1.00 16.17 C ATOM 1997 CZ PHE A 130 -10.088 10.017 -20.457 1.00 15.86 C ATOM 0 H PHE A 130 -10.128 14.753 -21.769 1.00 18.61 H new ATOM 0 HA PHE A 130 -11.508 13.328 -23.818 1.00 19.35 H new ATOM 0 HB2 PHE A 130 -12.260 14.206 -21.005 1.00 18.69 H new ATOM 0 HB3 PHE A 130 -13.274 13.183 -22.002 1.00 18.69 H new ATOM 0 HD1 PHE A 130 -10.077 13.373 -20.175 1.00 17.35 H new ATOM 0 HD2 PHE A 130 -12.722 10.864 -22.378 1.00 17.07 H new ATOM 0 HE1 PHE A 130 -8.842 11.397 -19.403 1.00 16.46 H new ATOM 0 HE2 PHE A 130 -11.489 8.885 -21.605 1.00 16.17 H new ATOM 0 HZ PHE A 130 -9.544 9.147 -20.119 1.00 15.86 H new ATOM 2007 N ASP A 131 -12.675 16.292 -22.932 1.00 20.37 N ATOM 2008 CA ASP A 131 -13.549 17.380 -23.358 1.00 21.43 C ATOM 2009 C ASP A 131 -13.097 17.946 -24.700 1.00 22.32 C ATOM 2010 O ASP A 131 -13.883 18.561 -25.420 1.00 23.37 O ATOM 2011 CB ASP A 131 -13.572 18.485 -22.300 1.00 21.16 C ATOM 2012 CG ASP A 131 -12.183 18.845 -21.808 1.00 20.32 C ATOM 2013 OD1 ASP A 131 -11.693 18.179 -20.872 1.00 19.96 O ATOM 2014 OD2 ASP A 131 -11.586 19.793 -22.360 1.00 20.09 O ATOM 0 H ASP A 131 -12.143 16.485 -22.084 1.00 20.37 H new ATOM 0 HA ASP A 131 -14.557 16.982 -23.476 1.00 21.43 H new ATOM 0 HB2 ASP A 131 -14.048 19.373 -22.716 1.00 21.16 H new ATOM 0 HB3 ASP A 131 -14.181 18.163 -21.456 1.00 21.16 H new ATOM 2019 N GLY A 132 -11.828 17.729 -25.032 1.00 21.94 N ATOM 2020 CA GLY A 132 -11.291 18.218 -26.290 1.00 22.81 C ATOM 2021 C GLY A 132 -11.483 19.712 -26.467 1.00 23.39 C ATOM 2022 O GLY A 132 -12.063 20.156 -27.458 1.00 24.32 O ATOM 0 H GLY A 132 -11.160 17.222 -24.451 1.00 21.94 H new ATOM 0 HA2 GLY A 132 -10.228 17.984 -26.342 1.00 22.81 H new ATOM 0 HA3 GLY A 132 -11.774 17.694 -27.115 1.00 22.81 H new ATOM 2026 N ASP A 133 -10.998 20.489 -25.503 1.00 22.90 N ATOM 2027 CA ASP A 133 -11.116 21.942 -25.560 1.00 23.47 C ATOM 2028 C ASP A 133 -9.801 22.574 -26.000 1.00 23.33 C ATOM 2029 O ASP A 133 -9.728 23.781 -26.234 1.00 23.88 O ATOM 2030 CB ASP A 133 -11.526 22.496 -24.194 1.00 23.07 C ATOM 2031 CG ASP A 133 -10.395 22.451 -23.186 1.00 21.88 C ATOM 2032 OD1 ASP A 133 -9.712 21.407 -23.103 1.00 21.33 O ATOM 2033 OD2 ASP A 133 -10.191 23.457 -22.476 1.00 21.56 O ATOM 0 H ASP A 133 -10.520 20.137 -24.674 1.00 22.90 H new ATOM 0 HA ASP A 133 -11.885 22.191 -26.291 1.00 23.47 H new ATOM 0 HB2 ASP A 133 -11.864 23.526 -24.310 1.00 23.07 H new ATOM 0 HB3 ASP A 133 -12.372 21.924 -23.812 1.00 23.07 H new ATOM 2038 N GLY A 134 -8.763 21.751 -26.109 1.00 22.67 N ATOM 2039 CA GLY A 134 -7.462 22.245 -26.518 1.00 22.60 C ATOM 2040 C GLY A 134 -6.616 22.682 -25.339 1.00 21.81 C ATOM 2041 O GLY A 134 -5.557 23.285 -25.515 1.00 21.94 O ATOM 0 H GLY A 134 -8.800 20.749 -25.921 1.00 22.67 H new ATOM 0 HA2 GLY A 134 -6.937 21.465 -27.070 1.00 22.60 H new ATOM 0 HA3 GLY A 134 -7.593 23.085 -27.200 1.00 22.60 H new ATOM 2045 N MET A 135 -7.085 22.376 -24.132 1.00 21.09 N ATOM 2046 CA MET A 135 -6.367 22.742 -22.917 1.00 20.37 C ATOM 2047 C MET A 135 -6.325 21.572 -21.938 1.00 19.18 C ATOM 2048 O MET A 135 -7.196 20.701 -21.957 1.00 19.03 O ATOM 2049 CB MET A 135 -7.022 23.957 -22.257 1.00 20.92 C ATOM 2050 CG MET A 135 -7.181 25.143 -23.195 1.00 22.12 C ATOM 2051 SD MET A 135 -7.801 26.616 -22.362 1.00 22.91 S ATOM 2052 CE MET A 135 -6.450 26.965 -21.238 1.00 22.22 C ATOM 0 H MET A 135 -7.959 21.876 -23.971 1.00 21.09 H new ATOM 0 HA MET A 135 -5.344 22.998 -23.191 1.00 20.37 H new ATOM 0 HB2 MET A 135 -8.003 23.670 -21.877 1.00 20.92 H new ATOM 0 HB3 MET A 135 -6.424 24.261 -21.398 1.00 20.92 H new ATOM 0 HG2 MET A 135 -6.218 25.369 -23.654 1.00 22.12 H new ATOM 0 HG3 MET A 135 -7.863 24.873 -24.001 1.00 22.12 H new ATOM 0 HE1 MET A 135 -6.748 26.710 -20.221 1.00 22.22 H new ATOM 0 HE2 MET A 135 -5.579 26.373 -21.521 1.00 22.22 H new ATOM 0 HE3 MET A 135 -6.200 28.025 -21.288 1.00 22.22 H new ATOM 2062 N ILE A 136 -5.311 21.565 -21.078 1.00 18.41 N ATOM 2063 CA ILE A 136 -5.147 20.500 -20.097 1.00 17.25 C ATOM 2064 C ILE A 136 -5.299 21.015 -18.672 1.00 16.93 C ATOM 2065 O ILE A 136 -4.891 22.130 -18.352 1.00 17.36 O ATOM 2066 CB ILE A 136 -3.768 19.816 -20.230 1.00 16.55 C ATOM 2067 CG1 ILE A 136 -3.689 19.016 -21.535 1.00 16.94 C ATOM 2068 CG2 ILE A 136 -3.488 18.922 -19.023 1.00 15.33 C ATOM 2069 CD1 ILE A 136 -4.660 17.854 -21.605 1.00 16.79 C ATOM 0 H ILE A 136 -4.590 22.286 -21.041 1.00 18.41 H new ATOM 0 HA ILE A 136 -5.935 19.775 -20.301 1.00 17.25 H new ATOM 0 HB ILE A 136 -3.001 20.590 -20.259 1.00 16.55 H new ATOM 0 HG12 ILE A 136 -3.880 19.687 -22.373 1.00 16.94 H new ATOM 0 HG13 ILE A 136 -2.674 18.636 -21.656 1.00 16.94 H new ATOM 0 HG21 ILE A 136 -2.512 18.451 -19.138 1.00 15.33 H new ATOM 0 HG22 ILE A 136 -3.495 19.524 -18.115 1.00 15.33 H new ATOM 0 HG23 ILE A 136 -4.257 18.152 -18.954 1.00 15.33 H new ATOM 0 HD11 ILE A 136 -4.542 17.338 -22.558 1.00 16.79 H new ATOM 0 HD12 ILE A 136 -4.456 17.160 -20.790 1.00 16.79 H new ATOM 0 HD13 ILE A 136 -5.681 18.227 -21.518 1.00 16.79 H new ATOM 2081 N ASN A 137 -5.890 20.184 -17.827 1.00 16.28 N ATOM 2082 CA ASN A 137 -6.082 20.510 -16.423 1.00 16.03 C ATOM 2083 C ASN A 137 -5.254 19.555 -15.575 1.00 14.85 C ATOM 2084 O ASN A 137 -4.897 18.476 -16.044 1.00 14.21 O ATOM 2085 CB ASN A 137 -7.561 20.417 -16.042 1.00 16.50 C ATOM 2086 CG ASN A 137 -7.821 20.887 -14.623 1.00 16.54 C ATOM 2087 OD1 ASN A 137 -7.732 19.969 -13.668 1.00 16.44 O flip ATOM 2088 ND2 ASN A 137 -8.098 22.064 -14.388 1.00 16.82 N flip ATOM 0 H ASN A 137 -6.249 19.267 -18.095 1.00 16.28 H new ATOM 0 HA ASN A 137 -5.756 21.535 -16.244 1.00 16.03 H new ATOM 0 HB2 ASN A 137 -8.151 21.017 -16.735 1.00 16.50 H new ATOM 0 HB3 ASN A 137 -7.897 19.386 -16.148 1.00 16.50 H new ATOM 0 HD21 ASN A 137 -8.156 22.737 -15.153 1.00 16.82 H new ATOM 0 HD22 ASN A 137 -8.269 22.366 -13.429 1.00 16.82 H new ATOM 2095 N TYR A 138 -4.922 19.954 -14.350 1.00 14.65 N ATOM 2096 CA TYR A 138 -4.125 19.110 -13.459 1.00 13.62 C ATOM 2097 C TYR A 138 -4.550 17.637 -13.537 1.00 12.81 C ATOM 2098 O TYR A 138 -3.756 16.742 -13.259 1.00 11.86 O ATOM 2099 CB TYR A 138 -4.229 19.614 -12.013 1.00 13.81 C ATOM 2100 CG TYR A 138 -3.743 18.617 -10.981 1.00 12.91 C ATOM 2101 CD1 TYR A 138 -2.390 18.331 -10.839 1.00 12.17 C ATOM 2102 CD2 TYR A 138 -4.642 17.954 -10.153 1.00 12.92 C ATOM 2103 CE1 TYR A 138 -1.948 17.415 -9.902 1.00 11.46 C ATOM 2104 CE2 TYR A 138 -4.208 17.039 -9.214 1.00 12.20 C ATOM 2105 CZ TYR A 138 -2.861 16.773 -9.092 1.00 11.46 C ATOM 2106 OH TYR A 138 -2.424 15.862 -8.159 1.00 10.87 O ATOM 0 H TYR A 138 -5.191 20.853 -13.951 1.00 14.65 H new ATOM 0 HA TYR A 138 -3.088 19.173 -13.788 1.00 13.62 H new ATOM 0 HB2 TYR A 138 -3.652 20.533 -11.916 1.00 13.81 H new ATOM 0 HB3 TYR A 138 -5.268 19.866 -11.800 1.00 13.81 H new ATOM 0 HD1 TYR A 138 -1.672 18.833 -11.471 1.00 12.17 H new ATOM 0 HD2 TYR A 138 -5.698 18.158 -10.246 1.00 12.92 H new ATOM 0 HE1 TYR A 138 -0.893 17.204 -9.805 1.00 11.46 H new ATOM 0 HE2 TYR A 138 -4.921 16.534 -8.578 1.00 12.20 H new ATOM 0 HH TYR A 138 -1.474 15.673 -8.307 1.00 10.87 H new ATOM 2116 N GLU A 139 -5.794 17.392 -13.945 1.00 13.28 N ATOM 2117 CA GLU A 139 -6.308 16.027 -14.043 1.00 12.75 C ATOM 2118 C GLU A 139 -5.849 15.362 -15.337 1.00 12.57 C ATOM 2119 O GLU A 139 -5.225 14.298 -15.314 1.00 11.70 O ATOM 2120 CB GLU A 139 -7.836 16.029 -13.970 1.00 13.59 C ATOM 2121 CG GLU A 139 -8.383 16.576 -12.662 1.00 13.94 C ATOM 2122 CD GLU A 139 -8.008 15.716 -11.470 1.00 14.48 C ATOM 2123 OE1 GLU A 139 -6.908 15.917 -10.916 1.00 14.68 O ATOM 2124 OE2 GLU A 139 -8.817 14.843 -11.091 1.00 14.82 O ATOM 0 H GLU A 139 -6.461 18.116 -14.212 1.00 13.28 H new ATOM 0 HA GLU A 139 -5.912 15.456 -13.204 1.00 12.75 H new ATOM 0 HB2 GLU A 139 -8.230 16.623 -14.795 1.00 13.59 H new ATOM 0 HB3 GLU A 139 -8.199 15.011 -14.108 1.00 13.59 H new ATOM 0 HG2 GLU A 139 -8.006 17.587 -12.509 1.00 13.94 H new ATOM 0 HG3 GLU A 139 -9.469 16.647 -12.727 1.00 13.94 H new ATOM 2131 N GLU A 140 -6.157 15.997 -16.464 1.00 13.49 N ATOM 2132 CA GLU A 140 -5.767 15.471 -17.766 1.00 13.65 C ATOM 2133 C GLU A 140 -4.250 15.334 -17.837 1.00 13.01 C ATOM 2134 O GLU A 140 -3.720 14.466 -18.535 1.00 12.80 O ATOM 2135 CB GLU A 140 -6.278 16.386 -18.882 1.00 14.90 C ATOM 2136 CG GLU A 140 -7.791 16.521 -18.915 1.00 15.69 C ATOM 2137 CD GLU A 140 -8.255 17.666 -19.796 1.00 16.90 C ATOM 2138 OE1 GLU A 140 -7.872 17.694 -20.985 1.00 17.35 O ATOM 2139 OE2 GLU A 140 -8.996 18.537 -19.297 1.00 17.46 O ATOM 0 H GLU A 140 -6.675 16.875 -16.501 1.00 13.49 H new ATOM 0 HA GLU A 140 -6.213 14.486 -17.900 1.00 13.65 H new ATOM 0 HB2 GLU A 140 -5.836 17.375 -18.760 1.00 14.90 H new ATOM 0 HB3 GLU A 140 -5.935 16.000 -19.842 1.00 14.90 H new ATOM 0 HG2 GLU A 140 -8.227 15.590 -19.276 1.00 15.69 H new ATOM 0 HG3 GLU A 140 -8.161 16.674 -17.901 1.00 15.69 H new ATOM 2146 N PHE A 141 -3.560 16.199 -17.099 1.00 12.87 N ATOM 2147 CA PHE A 141 -2.105 16.182 -17.048 1.00 12.46 C ATOM 2148 C PHE A 141 -1.626 14.900 -16.377 1.00 11.27 C ATOM 2149 O PHE A 141 -0.835 14.146 -16.945 1.00 11.00 O ATOM 2150 CB PHE A 141 -1.598 17.407 -16.281 1.00 12.80 C ATOM 2151 CG PHE A 141 -0.112 17.415 -16.063 1.00 12.57 C ATOM 2152 CD1 PHE A 141 0.748 17.794 -17.079 1.00 12.93 C ATOM 2153 CD2 PHE A 141 0.424 17.040 -14.841 1.00 12.17 C ATOM 2154 CE1 PHE A 141 2.115 17.798 -16.883 1.00 12.93 C ATOM 2155 CE2 PHE A 141 1.787 17.043 -14.638 1.00 12.17 C ATOM 2156 CZ PHE A 141 2.635 17.423 -15.660 1.00 12.56 C ATOM 0 H PHE A 141 -3.990 16.924 -16.525 1.00 12.87 H new ATOM 0 HA PHE A 141 -1.708 16.215 -18.063 1.00 12.46 H new ATOM 0 HB2 PHE A 141 -1.880 18.308 -16.826 1.00 12.80 H new ATOM 0 HB3 PHE A 141 -2.098 17.450 -15.313 1.00 12.80 H new ATOM 0 HD1 PHE A 141 0.345 18.090 -18.036 1.00 12.93 H new ATOM 0 HD2 PHE A 141 -0.234 16.742 -14.038 1.00 12.17 H new ATOM 0 HE1 PHE A 141 2.776 18.094 -17.684 1.00 12.93 H new ATOM 0 HE2 PHE A 141 2.192 16.749 -13.681 1.00 12.17 H new ATOM 0 HZ PHE A 141 3.703 17.427 -15.503 1.00 12.56 H new ATOM 2166 N VAL A 142 -2.116 14.668 -15.164 1.00 10.70 N ATOM 2167 CA VAL A 142 -1.773 13.475 -14.397 1.00 9.58 C ATOM 2168 C VAL A 142 -1.897 12.214 -15.249 1.00 9.23 C ATOM 2169 O VAL A 142 -1.102 11.279 -15.119 1.00 8.50 O ATOM 2170 CB VAL A 142 -2.690 13.334 -13.162 1.00 9.36 C ATOM 2171 CG1 VAL A 142 -2.510 11.974 -12.502 1.00 8.32 C ATOM 2172 CG2 VAL A 142 -2.423 14.448 -12.164 1.00 9.69 C ATOM 0 H VAL A 142 -2.760 15.299 -14.686 1.00 10.70 H new ATOM 0 HA VAL A 142 -0.738 13.588 -14.074 1.00 9.58 H new ATOM 0 HB VAL A 142 -3.723 13.414 -13.501 1.00 9.36 H new ATOM 0 HG11 VAL A 142 -3.167 11.900 -11.635 1.00 8.32 H new ATOM 0 HG12 VAL A 142 -2.760 11.188 -13.214 1.00 8.32 H new ATOM 0 HG13 VAL A 142 -1.474 11.859 -12.183 1.00 8.32 H new ATOM 0 HG21 VAL A 142 -3.080 14.329 -11.302 1.00 9.69 H new ATOM 0 HG22 VAL A 142 -1.384 14.403 -11.838 1.00 9.69 H new ATOM 0 HG23 VAL A 142 -2.614 15.412 -12.635 1.00 9.69 H new ATOM 2182 N TRP A 143 -2.894 12.196 -16.125 1.00 9.94 N ATOM 2183 CA TRP A 143 -3.135 11.037 -16.976 1.00 9.97 C ATOM 2184 C TRP A 143 -2.028 10.819 -18.010 1.00 10.29 C ATOM 2185 O TRP A 143 -1.430 9.748 -18.060 1.00 9.82 O ATOM 2186 CB TRP A 143 -4.482 11.169 -17.694 1.00 10.95 C ATOM 2187 CG TRP A 143 -4.861 9.937 -18.453 1.00 11.20 C ATOM 2188 CD1 TRP A 143 -5.626 8.892 -18.016 1.00 10.93 C ATOM 2189 CD2 TRP A 143 -4.475 9.621 -19.786 1.00 11.97 C ATOM 2190 NE1 TRP A 143 -5.732 7.942 -19.006 1.00 11.51 N ATOM 2191 CE2 TRP A 143 -5.029 8.371 -20.104 1.00 12.15 C ATOM 2192 CE3 TRP A 143 -3.708 10.284 -20.735 1.00 12.67 C ATOM 2193 CZ2 TRP A 143 -4.837 7.768 -21.345 1.00 13.01 C ATOM 2194 CZ3 TRP A 143 -3.512 9.691 -21.967 1.00 13.49 C ATOM 2195 CH2 TRP A 143 -4.075 8.443 -22.262 1.00 13.66 C ATOM 0 H TRP A 143 -3.547 12.967 -16.265 1.00 9.94 H new ATOM 0 HA TRP A 143 -3.146 10.169 -16.317 1.00 9.97 H new ATOM 0 HB2 TRP A 143 -5.258 11.391 -16.962 1.00 10.95 H new ATOM 0 HB3 TRP A 143 -4.440 12.014 -18.381 1.00 10.95 H new ATOM 0 HD1 TRP A 143 -6.080 8.822 -17.039 1.00 10.93 H new ATOM 0 HE1 TRP A 143 -6.247 7.065 -18.935 1.00 11.51 H new ATOM 0 HE3 TRP A 143 -3.272 11.247 -20.514 1.00 12.67 H new ATOM 0 HZ2 TRP A 143 -5.272 6.806 -21.575 1.00 13.01 H new ATOM 0 HZ3 TRP A 143 -2.917 10.197 -22.713 1.00 13.49 H new ATOM 0 HH2 TRP A 143 -3.905 8.003 -23.234 1.00 13.66 H new ATOM 2206 N MET A 144 -1.749 11.833 -18.829 1.00 11.22 N ATOM 2207 CA MET A 144 -0.741 11.697 -19.885 1.00 11.83 C ATOM 2208 C MET A 144 0.676 11.502 -19.348 1.00 11.29 C ATOM 2209 O MET A 144 1.502 10.869 -20.004 1.00 11.65 O ATOM 2210 CB MET A 144 -0.781 12.896 -20.837 1.00 13.01 C ATOM 2211 CG MET A 144 -0.478 14.225 -20.176 1.00 13.05 C ATOM 2212 SD MET A 144 -0.160 15.533 -21.378 1.00 14.50 S ATOM 2213 CE MET A 144 -0.158 16.979 -20.323 1.00 14.50 C ATOM 0 H MET A 144 -2.199 12.747 -18.785 1.00 11.22 H new ATOM 0 HA MET A 144 -1.000 10.790 -20.431 1.00 11.83 H new ATOM 0 HB2 MET A 144 -0.064 12.731 -21.641 1.00 13.01 H new ATOM 0 HB3 MET A 144 -1.768 12.948 -21.296 1.00 13.01 H new ATOM 0 HG2 MET A 144 -1.317 14.513 -19.543 1.00 13.05 H new ATOM 0 HG3 MET A 144 0.389 14.115 -19.525 1.00 13.05 H new ATOM 0 HE1 MET A 144 0.131 17.854 -20.905 1.00 14.50 H new ATOM 0 HE2 MET A 144 -1.156 17.131 -19.912 1.00 14.50 H new ATOM 0 HE3 MET A 144 0.552 16.834 -19.509 1.00 14.50 H new ATOM 2223 N ILE A 145 0.963 12.031 -18.165 1.00 10.61 N ATOM 2224 CA ILE A 145 2.300 11.899 -17.590 1.00 10.28 C ATOM 2225 C ILE A 145 2.563 10.483 -17.090 1.00 9.33 C ATOM 2226 O ILE A 145 3.650 9.939 -17.282 1.00 9.45 O ATOM 2227 CB ILE A 145 2.517 12.886 -16.438 1.00 10.17 C ATOM 2228 CG1 ILE A 145 1.511 12.624 -15.321 1.00 9.32 C ATOM 2229 CG2 ILE A 145 2.402 14.314 -16.945 1.00 11.25 C ATOM 2230 CD1 ILE A 145 1.769 13.437 -14.073 1.00 9.30 C ATOM 0 H ILE A 145 0.299 12.549 -17.590 1.00 10.61 H new ATOM 0 HA ILE A 145 3.002 12.126 -18.392 1.00 10.28 H new ATOM 0 HB ILE A 145 3.519 12.744 -16.034 1.00 10.17 H new ATOM 0 HG12 ILE A 145 0.508 12.844 -15.687 1.00 9.32 H new ATOM 0 HG13 ILE A 145 1.532 11.565 -15.065 1.00 9.32 H new ATOM 0 HG21 ILE A 145 2.558 15.007 -16.118 1.00 11.25 H new ATOM 0 HG22 ILE A 145 3.156 14.489 -17.713 1.00 11.25 H new ATOM 0 HG23 ILE A 145 1.410 14.471 -17.368 1.00 11.25 H new ATOM 0 HD11 ILE A 145 1.016 13.199 -13.322 1.00 9.30 H new ATOM 0 HD12 ILE A 145 2.759 13.200 -13.682 1.00 9.30 H new ATOM 0 HD13 ILE A 145 1.719 14.499 -14.314 1.00 9.30 H new ATOM 2242 N SER A 146 1.571 9.888 -16.439 1.00 8.54 N ATOM 2243 CA SER A 146 1.708 8.532 -15.930 1.00 7.66 C ATOM 2244 C SER A 146 1.874 7.561 -17.087 1.00 8.22 C ATOM 2245 O SER A 146 2.240 6.401 -16.899 1.00 7.89 O ATOM 2246 CB SER A 146 0.486 8.147 -15.094 1.00 6.98 C ATOM 2247 OG SER A 146 -0.702 8.221 -15.865 1.00 6.80 O ATOM 0 H SER A 146 0.667 10.322 -16.252 1.00 8.54 H new ATOM 0 HA SER A 146 2.591 8.485 -15.293 1.00 7.66 H new ATOM 0 HB2 SER A 146 0.610 7.136 -14.707 1.00 6.98 H new ATOM 0 HB3 SER A 146 0.407 8.810 -14.233 1.00 6.98 H new ATOM 0 HG SER A 146 -0.633 8.963 -16.501 1.00 6.80 H new ATOM 2253 N GLN A 147 1.596 8.057 -18.288 1.00 9.26 N ATOM 2254 CA GLN A 147 1.672 7.246 -19.491 1.00 10.11 C ATOM 2255 C GLN A 147 2.645 7.836 -20.515 1.00 11.05 C ATOM 2256 O GLN A 147 2.659 7.421 -21.674 1.00 11.87 O ATOM 2257 CB GLN A 147 0.272 7.136 -20.092 1.00 10.77 C ATOM 2258 CG GLN A 147 -0.821 7.096 -19.032 1.00 10.15 C ATOM 2259 CD GLN A 147 -1.055 5.703 -18.480 1.00 9.47 C ATOM 2260 OE1 GLN A 147 -0.940 4.710 -19.198 1.00 10.00 O ATOM 2261 NE2 GLN A 147 -1.369 5.621 -17.190 1.00 8.44 N ATOM 0 H GLN A 147 1.314 9.024 -18.451 1.00 9.26 H new ATOM 0 HA GLN A 147 2.050 6.259 -19.226 1.00 10.11 H new ATOM 0 HB2 GLN A 147 0.098 7.983 -20.755 1.00 10.77 H new ATOM 0 HB3 GLN A 147 0.213 6.235 -20.703 1.00 10.77 H new ATOM 0 HG2 GLN A 147 -0.552 7.765 -18.215 1.00 10.15 H new ATOM 0 HG3 GLN A 147 -1.750 7.473 -19.460 1.00 10.15 H new ATOM 0 HE21 GLN A 147 -1.454 6.470 -16.631 1.00 8.44 H new ATOM 0 HE22 GLN A 147 -1.525 4.709 -16.760 1.00 8.44 H new ATOM 2270 N LYS A 148 3.459 8.801 -20.087 1.00 11.08 N ATOM 2271 CA LYS A 148 4.431 9.425 -20.982 1.00 12.08 C ATOM 2272 C LYS A 148 5.807 8.784 -20.824 1.00 12.24 C ATOM 2273 O LYS A 148 6.451 8.508 -21.858 1.00 12.44 O ATOM 2274 CB LYS A 148 4.514 10.934 -20.741 1.00 12.12 C ATOM 2275 CG LYS A 148 5.303 11.303 -19.507 1.00 12.94 C ATOM 2276 CD LYS A 148 5.352 12.807 -19.295 1.00 13.10 C ATOM 2277 CE LYS A 148 5.890 13.159 -17.917 1.00 13.06 C ATOM 2278 NZ LYS A 148 7.251 12.600 -17.690 1.00 13.68 N ATOM 2279 OXT LYS A 148 6.224 8.549 -19.669 1.00 12.34 O ATOM 0 H LYS A 148 3.465 9.165 -19.134 1.00 11.08 H new ATOM 0 HA LYS A 148 4.091 9.262 -22.005 1.00 12.08 H new ATOM 0 HB2 LYS A 148 4.970 11.408 -21.610 1.00 12.12 H new ATOM 0 HB3 LYS A 148 3.505 11.336 -20.651 1.00 12.12 H new ATOM 0 HG2 LYS A 148 4.855 10.828 -18.634 1.00 12.94 H new ATOM 0 HG3 LYS A 148 6.318 10.916 -19.596 1.00 12.94 H new ATOM 0 HD2 LYS A 148 5.981 13.263 -20.060 1.00 13.10 H new ATOM 0 HD3 LYS A 148 4.352 13.225 -19.414 1.00 13.10 H new ATOM 0 HE2 LYS A 148 5.920 14.243 -17.806 1.00 13.06 H new ATOM 0 HE3 LYS A 148 5.210 12.779 -17.154 1.00 13.06 H new ATOM 0 HZ1 LYS A 148 7.615 12.933 -16.774 1.00 13.68 H new ATOM 0 HZ2 LYS A 148 7.203 11.561 -17.686 1.00 13.68 H new ATOM 0 HZ3 LYS A 148 7.887 12.915 -18.450 1.00 13.68 H new