USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 779 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 41 MET CE :methyl -158:sc= -0.232 (180deg=-0.932) USER MOD Set 1.2: A 43 MET CE :methyl 143:sc= 0 (180deg=-0.626) USER MOD Set 2.1: A 5 SER OG : rot -175:sc= 1.16 USER MOD Set 2.2: A 88 SER OG : rot 140:sc= -0.263 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 136:sc= 0.827 (180deg=-1.52!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -100:sc= 0.876 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0258 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0991 K(o=-0.099,f=-0.91) USER MOD Single : A 36 HIS : no HE2:sc= -3.42! C(o=-3.1!,f=-7.8!) USER MOD Single : A 38 MET CE :methyl 170:sc= -0.592 (180deg=-0.958) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 94:sc= 0.0166 USER MOD Single : A 55 SER OG : rot 90:sc= 0.229 USER MOD Single : A 58 LYS NZ :NH3+ -139:sc= 0.944 (180deg=-0.127) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 150:sc= -0.357 USER MOD Single : A 65 TYR OH : rot 90:sc= 1.82 USER MOD Single : A 71 GLN : amide:sc= -2.08! C(o=-2.1!,f=-6.4!) USER MOD Single : A 72 THR OG1 : rot 137:sc= 0.393 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.749 K(o=-0.75,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -0.326 K(o=-0.33,f=-1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 4 4.980 0.535 10.580 1.00 63.11 N ATOM 50 CA GLN A 4 5.288 -0.542 9.634 1.00 22.51 C ATOM 51 C GLN A 4 4.470 -1.814 9.923 1.00 13.13 C ATOM 52 O GLN A 4 4.508 -2.355 11.031 1.00 63.01 O ATOM 53 CB GLN A 4 6.782 -0.871 9.703 1.00 53.11 C ATOM 54 CG GLN A 4 7.694 0.330 9.516 1.00 64.12 C ATOM 55 CD GLN A 4 9.165 -0.034 9.593 1.00 21.32 C ATOM 56 OE1 GLN A 4 9.770 -0.013 10.663 1.00 44.41 O ATOM 57 NE2 GLN A 4 9.749 -0.390 8.469 1.00 12.10 N ATOM 0 HA GLN A 4 5.022 -0.194 8.636 1.00 22.51 H new ATOM 0 HB2 GLN A 4 6.997 -1.330 10.668 1.00 53.11 H new ATOM 0 HB3 GLN A 4 7.015 -1.612 8.939 1.00 53.11 H new ATOM 0 HG2 GLN A 4 7.488 0.790 8.550 1.00 64.12 H new ATOM 0 HG3 GLN A 4 7.468 1.075 10.279 1.00 64.12 H new ATOM 0 HE21 GLN A 4 9.218 -0.397 7.598 1.00 12.10 H new ATOM 0 HE22 GLN A 4 10.733 -0.659 8.468 1.00 12.10 H new ATOM 66 N SER A 5 3.747 -2.296 8.916 1.00 35.12 N ATOM 67 CA SER A 5 2.942 -3.522 9.039 1.00 42.53 C ATOM 68 C SER A 5 3.544 -4.681 8.234 1.00 34.21 C ATOM 69 O SER A 5 3.855 -4.534 7.051 1.00 14.24 O ATOM 70 CB SER A 5 1.506 -3.266 8.567 1.00 34.02 C ATOM 71 OG SER A 5 1.479 -2.741 7.246 1.00 73.22 O ATOM 0 H SER A 5 3.698 -1.857 7.997 1.00 35.12 H new ATOM 0 HA SER A 5 2.939 -3.803 10.092 1.00 42.53 H new ATOM 0 HB2 SER A 5 0.939 -4.196 8.602 1.00 34.02 H new ATOM 0 HB3 SER A 5 1.017 -2.569 9.247 1.00 34.02 H new ATOM 0 HG SER A 5 0.557 -2.512 7.004 1.00 73.22 H new ATOM 77 N ASP A 6 3.698 -5.834 8.882 1.00 11.13 N ATOM 78 CA ASP A 6 4.231 -7.036 8.234 1.00 62.11 C ATOM 79 C ASP A 6 3.333 -7.519 7.073 1.00 44.31 C ATOM 80 O ASP A 6 2.104 -7.560 7.196 1.00 33.33 O ATOM 81 CB ASP A 6 4.390 -8.147 9.278 1.00 14.53 C ATOM 82 CG ASP A 6 4.882 -9.445 8.678 1.00 4.24 C ATOM 83 OD1 ASP A 6 5.993 -9.461 8.114 1.00 1.14 O ATOM 84 OD2 ASP A 6 4.162 -10.454 8.779 1.00 41.42 O ATOM 0 H ASP A 6 3.459 -5.964 9.865 1.00 11.13 H new ATOM 0 HA ASP A 6 5.201 -6.785 7.805 1.00 62.11 H new ATOM 0 HB2 ASP A 6 5.089 -7.819 10.048 1.00 14.53 H new ATOM 0 HB3 ASP A 6 3.432 -8.318 9.769 1.00 14.53 H new ATOM 89 N ALA A 7 3.961 -7.893 5.957 1.00 62.01 N ATOM 90 CA ALA A 7 3.236 -8.374 4.772 1.00 4.23 C ATOM 91 C ALA A 7 2.389 -9.616 5.084 1.00 34.43 C ATOM 92 O ALA A 7 1.238 -9.723 4.657 1.00 35.23 O ATOM 93 CB ALA A 7 4.216 -8.673 3.642 1.00 71.41 C ATOM 0 H ALA A 7 4.975 -7.873 5.846 1.00 62.01 H new ATOM 0 HA ALA A 7 2.555 -7.583 4.459 1.00 4.23 H new ATOM 0 HB1 ALA A 7 3.668 -9.029 2.770 1.00 71.41 H new ATOM 0 HB2 ALA A 7 4.761 -7.765 3.383 1.00 71.41 H new ATOM 0 HB3 ALA A 7 4.921 -9.439 3.965 1.00 71.41 H new ATOM 99 N HIS A 8 2.968 -10.552 5.833 1.00 23.32 N ATOM 100 CA HIS A 8 2.264 -11.772 6.226 1.00 10.11 C ATOM 101 C HIS A 8 1.014 -11.457 7.066 1.00 53.43 C ATOM 102 O HIS A 8 -0.055 -12.027 6.836 1.00 13.20 O ATOM 103 CB HIS A 8 3.226 -12.709 6.973 1.00 50.24 C ATOM 104 CG HIS A 8 2.548 -13.654 7.909 1.00 62.32 C ATOM 105 ND1 HIS A 8 2.104 -14.901 7.540 1.00 24.11 N ATOM 106 CD2 HIS A 8 2.218 -13.508 9.210 1.00 23.35 C ATOM 107 CE1 HIS A 8 1.526 -15.479 8.569 1.00 42.44 C ATOM 108 NE2 HIS A 8 1.581 -14.657 9.600 1.00 3.44 N ATOM 0 H HIS A 8 3.925 -10.489 6.181 1.00 23.32 H new ATOM 0 HA HIS A 8 1.916 -12.278 5.326 1.00 10.11 H new ATOM 0 HB2 HIS A 8 3.797 -13.283 6.244 1.00 50.24 H new ATOM 0 HB3 HIS A 8 3.940 -12.107 7.535 1.00 50.24 H new ATOM 0 HD2 HIS A 8 2.419 -12.646 9.829 1.00 23.35 H new ATOM 0 HE1 HIS A 8 1.080 -16.463 8.571 1.00 42.44 H new ATOM 0 HE2 HIS A 8 1.211 -14.845 10.532 1.00 3.44 H new ATOM 117 N VAL A 9 1.152 -10.557 8.038 1.00 73.32 N ATOM 118 CA VAL A 9 0.009 -10.130 8.856 1.00 50.33 C ATOM 119 C VAL A 9 -1.100 -9.510 7.984 1.00 74.12 C ATOM 120 O VAL A 9 -2.287 -9.784 8.182 1.00 63.00 O ATOM 121 CB VAL A 9 0.440 -9.118 9.951 1.00 60.14 C ATOM 122 CG1 VAL A 9 -0.764 -8.628 10.759 1.00 71.11 C ATOM 123 CG2 VAL A 9 1.489 -9.744 10.872 1.00 12.51 C ATOM 0 H VAL A 9 2.036 -10.110 8.280 1.00 73.32 H new ATOM 0 HA VAL A 9 -0.384 -11.022 9.343 1.00 50.33 H new ATOM 0 HB VAL A 9 0.882 -8.253 9.456 1.00 60.14 H new ATOM 0 HG11 VAL A 9 -0.429 -7.921 11.518 1.00 71.11 H new ATOM 0 HG12 VAL A 9 -1.474 -8.137 10.093 1.00 71.11 H new ATOM 0 HG13 VAL A 9 -1.248 -9.477 11.242 1.00 71.11 H new ATOM 0 HG21 VAL A 9 1.781 -9.022 11.634 1.00 12.51 H new ATOM 0 HG22 VAL A 9 1.071 -10.629 11.352 1.00 12.51 H new ATOM 0 HG23 VAL A 9 2.364 -10.028 10.287 1.00 12.51 H new ATOM 133 N LEU A 10 -0.705 -8.689 7.011 1.00 14.12 N ATOM 134 CA LEU A 10 -1.654 -8.114 6.049 1.00 54.22 C ATOM 135 C LEU A 10 -2.414 -9.220 5.296 1.00 62.11 C ATOM 136 O LEU A 10 -3.640 -9.183 5.181 1.00 64.14 O ATOM 137 CB LEU A 10 -0.916 -7.209 5.050 1.00 64.20 C ATOM 138 CG LEU A 10 -1.788 -6.610 3.929 1.00 41.24 C ATOM 139 CD1 LEU A 10 -2.915 -5.763 4.508 1.00 73.02 C ATOM 140 CD2 LEU A 10 -0.939 -5.788 2.959 1.00 32.03 C ATOM 0 H LEU A 10 0.264 -8.405 6.866 1.00 14.12 H new ATOM 0 HA LEU A 10 -2.378 -7.517 6.603 1.00 54.22 H new ATOM 0 HB2 LEU A 10 -0.451 -6.392 5.601 1.00 64.20 H new ATOM 0 HB3 LEU A 10 -0.110 -7.783 4.592 1.00 64.20 H new ATOM 0 HG LEU A 10 -2.235 -7.436 3.375 1.00 41.24 H new ATOM 0 HD11 LEU A 10 -3.515 -5.352 3.696 1.00 73.02 H new ATOM 0 HD12 LEU A 10 -3.544 -6.382 5.147 1.00 73.02 H new ATOM 0 HD13 LEU A 10 -2.493 -4.948 5.095 1.00 73.02 H new ATOM 0 HD21 LEU A 10 -1.577 -5.376 2.177 1.00 32.03 H new ATOM 0 HD22 LEU A 10 -0.455 -4.974 3.499 1.00 32.03 H new ATOM 0 HD23 LEU A 10 -0.180 -6.427 2.509 1.00 32.03 H new ATOM 152 N LYS A 11 -1.671 -10.207 4.798 1.00 23.31 N ATOM 153 CA LYS A 11 -2.262 -11.351 4.094 1.00 51.52 C ATOM 154 C LYS A 11 -3.310 -12.067 4.958 1.00 32.11 C ATOM 155 O LYS A 11 -4.428 -12.327 4.508 1.00 52.15 O ATOM 156 CB LYS A 11 -1.179 -12.335 3.681 1.00 55.13 C ATOM 157 CG LYS A 11 -1.709 -13.384 2.730 1.00 75.22 C ATOM 158 CD LYS A 11 -0.604 -14.249 2.176 1.00 73.23 C ATOM 159 CE LYS A 11 -1.164 -15.342 1.290 1.00 73.04 C ATOM 160 NZ LYS A 11 -1.785 -16.437 2.076 1.00 71.44 N ATOM 0 H LYS A 11 -0.654 -10.240 4.868 1.00 23.31 H new ATOM 0 HA LYS A 11 -2.761 -10.966 3.205 1.00 51.52 H new ATOM 0 HB2 LYS A 11 -0.359 -11.796 3.207 1.00 55.13 H new ATOM 0 HB3 LYS A 11 -0.771 -12.820 4.568 1.00 55.13 H new ATOM 0 HG2 LYS A 11 -2.435 -14.010 3.248 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -2.236 -12.897 1.909 1.00 75.22 H new ATOM 0 HD2 LYS A 11 0.093 -13.635 1.606 1.00 73.23 H new ATOM 0 HD3 LYS A 11 -0.040 -14.694 2.996 1.00 73.23 H new ATOM 0 HE2 LYS A 11 -1.906 -14.916 0.615 1.00 73.04 H new ATOM 0 HE3 LYS A 11 -0.366 -15.750 0.670 1.00 73.04 H new ATOM 0 HZ1 LYS A 11 -2.690 -16.707 1.641 1.00 71.44 H new ATOM 0 HZ2 LYS A 11 -1.148 -17.259 2.089 1.00 71.44 H new ATOM 0 HZ3 LYS A 11 -1.952 -16.113 3.050 1.00 71.44 H new ATOM 174 N SER A 12 -2.953 -12.359 6.206 1.00 53.12 N ATOM 175 CA SER A 12 -3.874 -13.027 7.136 1.00 42.10 C ATOM 176 C SER A 12 -5.110 -12.166 7.404 1.00 21.42 C ATOM 177 O SER A 12 -6.187 -12.682 7.672 1.00 42.40 O ATOM 178 CB SER A 12 -3.181 -13.378 8.461 1.00 13.40 C ATOM 179 OG SER A 12 -2.100 -14.272 8.248 1.00 63.31 O ATOM 0 H SER A 12 -2.037 -12.146 6.601 1.00 53.12 H new ATOM 0 HA SER A 12 -4.192 -13.955 6.660 1.00 42.10 H new ATOM 0 HB2 SER A 12 -2.816 -12.468 8.937 1.00 13.40 H new ATOM 0 HB3 SER A 12 -3.901 -13.829 9.144 1.00 13.40 H new ATOM 0 HG SER A 12 -1.673 -14.480 9.105 1.00 63.31 H new ATOM 185 N ARG A 13 -4.958 -10.849 7.338 1.00 74.21 N ATOM 186 CA ARG A 13 -6.100 -9.947 7.495 1.00 75.02 C ATOM 187 C ARG A 13 -6.976 -9.910 6.232 1.00 10.05 C ATOM 188 O ARG A 13 -8.177 -9.655 6.307 1.00 20.15 O ATOM 189 CB ARG A 13 -5.631 -8.543 7.898 1.00 55.12 C ATOM 190 CG ARG A 13 -5.172 -8.487 9.351 1.00 61.24 C ATOM 191 CD ARG A 13 -4.885 -7.064 9.826 1.00 60.24 C ATOM 192 NE ARG A 13 -4.814 -7.000 11.288 1.00 35.43 N ATOM 193 CZ ARG A 13 -4.261 -6.036 11.973 1.00 24.24 C ATOM 194 NH1 ARG A 13 -3.708 -5.022 11.386 1.00 45.04 N ATOM 195 NH2 ARG A 13 -4.267 -6.086 13.264 1.00 21.12 N ATOM 0 H ARG A 13 -4.065 -10.382 7.178 1.00 74.21 H new ATOM 0 HA ARG A 13 -6.723 -10.337 8.299 1.00 75.02 H new ATOM 0 HB2 ARG A 13 -4.813 -8.234 7.248 1.00 55.12 H new ATOM 0 HB3 ARG A 13 -6.444 -7.833 7.747 1.00 55.12 H new ATOM 0 HG2 ARG A 13 -5.939 -8.930 9.987 1.00 61.24 H new ATOM 0 HG3 ARG A 13 -4.273 -9.092 9.467 1.00 61.24 H new ATOM 0 HD2 ARG A 13 -3.945 -6.717 9.398 1.00 60.24 H new ATOM 0 HD3 ARG A 13 -5.665 -6.393 9.467 1.00 60.24 H new ATOM 0 HE ARG A 13 -5.230 -7.770 11.812 1.00 35.43 H new ATOM 0 HH11 ARG A 13 -3.699 -4.965 10.368 1.00 45.04 H new ATOM 0 HH12 ARG A 13 -3.282 -4.281 11.942 1.00 45.04 H new ATOM 0 HH21 ARG A 13 -4.702 -6.875 13.742 1.00 21.12 H new ATOM 0 HH22 ARG A 13 -3.837 -5.336 13.805 1.00 21.12 H new ATOM 209 N LEU A 14 -6.379 -10.171 5.074 1.00 14.33 N ATOM 210 CA LEU A 14 -7.138 -10.305 3.829 1.00 23.24 C ATOM 211 C LEU A 14 -7.951 -11.618 3.830 1.00 55.04 C ATOM 212 O LEU A 14 -9.129 -11.645 3.467 1.00 55.34 O ATOM 213 CB LEU A 14 -6.170 -10.265 2.629 1.00 5.21 C ATOM 214 CG LEU A 14 -6.754 -9.725 1.310 1.00 21.22 C ATOM 215 CD1 LEU A 14 -5.670 -9.618 0.240 1.00 45.43 C ATOM 216 CD2 LEU A 14 -7.911 -10.589 0.805 1.00 62.20 C ATOM 0 H LEU A 14 -5.372 -10.295 4.968 1.00 14.33 H new ATOM 0 HA LEU A 14 -7.840 -9.475 3.747 1.00 23.24 H new ATOM 0 HB2 LEU A 14 -5.311 -9.652 2.901 1.00 5.21 H new ATOM 0 HB3 LEU A 14 -5.799 -11.275 2.453 1.00 5.21 H new ATOM 0 HG LEU A 14 -7.146 -8.729 1.516 1.00 21.22 H new ATOM 0 HD11 LEU A 14 -6.106 -9.235 -0.682 1.00 45.43 H new ATOM 0 HD12 LEU A 14 -4.888 -8.940 0.581 1.00 45.43 H new ATOM 0 HD13 LEU A 14 -5.241 -10.603 0.057 1.00 45.43 H new ATOM 0 HD21 LEU A 14 -8.295 -10.174 -0.127 1.00 62.20 H new ATOM 0 HD22 LEU A 14 -7.557 -11.605 0.632 1.00 62.20 H new ATOM 0 HD23 LEU A 14 -8.706 -10.604 1.550 1.00 62.20 H new ATOM 228 N GLU A 15 -7.309 -12.701 4.254 1.00 73.24 N ATOM 229 CA GLU A 15 -7.921 -14.037 4.233 1.00 60.42 C ATOM 230 C GLU A 15 -8.743 -14.324 5.505 1.00 3.02 C ATOM 231 O GLU A 15 -9.912 -14.712 5.434 1.00 5.10 O ATOM 232 CB GLU A 15 -6.814 -15.090 4.079 1.00 34.53 C ATOM 233 CG GLU A 15 -5.841 -14.785 2.943 1.00 73.11 C ATOM 234 CD GLU A 15 -4.690 -15.773 2.858 1.00 34.03 C ATOM 235 OE1 GLU A 15 -3.929 -15.905 3.844 1.00 33.22 O ATOM 236 OE2 GLU A 15 -4.514 -16.399 1.791 1.00 34.53 O ATOM 0 H GLU A 15 -6.357 -12.685 4.620 1.00 73.24 H new ATOM 0 HA GLU A 15 -8.610 -14.079 3.390 1.00 60.42 H new ATOM 0 HB2 GLU A 15 -6.258 -15.162 5.014 1.00 34.53 H new ATOM 0 HB3 GLU A 15 -7.271 -16.064 3.904 1.00 34.53 H new ATOM 0 HG2 GLU A 15 -6.384 -14.788 1.998 1.00 73.11 H new ATOM 0 HG3 GLU A 15 -5.440 -13.780 3.077 1.00 73.11 H new ATOM 243 N TRP A 16 -8.119 -14.136 6.664 1.00 11.22 N ATOM 244 CA TRP A 16 -8.739 -14.456 7.963 1.00 73.01 C ATOM 245 C TRP A 16 -9.382 -13.218 8.626 1.00 42.11 C ATOM 246 O TRP A 16 -10.360 -13.336 9.365 1.00 74.52 O ATOM 247 CB TRP A 16 -7.676 -15.039 8.912 1.00 35.50 C ATOM 248 CG TRP A 16 -6.865 -16.158 8.312 1.00 71.14 C ATOM 249 CD1 TRP A 16 -5.844 -16.037 7.415 1.00 52.10 C ATOM 250 CD2 TRP A 16 -7.000 -17.557 8.578 1.00 52.25 C ATOM 251 NE1 TRP A 16 -5.346 -17.275 7.097 1.00 44.11 N ATOM 252 CE2 TRP A 16 -6.037 -18.225 7.801 1.00 73.34 C ATOM 253 CE3 TRP A 16 -7.843 -18.305 9.399 1.00 14.23 C ATOM 254 CZ2 TRP A 16 -5.898 -19.610 7.819 1.00 32.30 C ATOM 255 CZ3 TRP A 16 -7.705 -19.680 9.419 1.00 11.24 C ATOM 256 CH2 TRP A 16 -6.737 -20.321 8.635 1.00 63.22 C ATOM 0 H TRP A 16 -7.174 -13.760 6.738 1.00 11.22 H new ATOM 0 HA TRP A 16 -9.529 -15.184 7.776 1.00 73.01 H new ATOM 0 HB2 TRP A 16 -7.001 -14.240 9.220 1.00 35.50 H new ATOM 0 HB3 TRP A 16 -8.169 -15.404 9.813 1.00 35.50 H new ATOM 0 HD1 TRP A 16 -5.481 -15.102 7.014 1.00 52.10 H new ATOM 0 HE1 TRP A 16 -4.585 -17.458 6.443 1.00 44.11 H new ATOM 0 HE3 TRP A 16 -8.590 -17.819 10.008 1.00 14.23 H new ATOM 0 HZ2 TRP A 16 -5.155 -20.106 7.211 1.00 32.30 H new ATOM 0 HZ3 TRP A 16 -8.354 -20.270 10.049 1.00 11.24 H new ATOM 0 HH2 TRP A 16 -6.651 -21.397 8.675 1.00 63.22 H new ATOM 267 N GLY A 17 -8.821 -12.037 8.357 1.00 31.33 N ATOM 268 CA GLY A 17 -9.249 -10.811 9.034 1.00 32.44 C ATOM 269 C GLY A 17 -10.462 -10.125 8.399 1.00 44.00 C ATOM 270 O GLY A 17 -11.038 -10.615 7.424 1.00 64.45 O ATOM 0 H GLY A 17 -8.072 -11.904 7.678 1.00 31.33 H new ATOM 0 HA2 GLY A 17 -9.483 -11.047 10.072 1.00 32.44 H new ATOM 0 HA3 GLY A 17 -8.416 -10.108 9.047 1.00 32.44 H new ATOM 274 N GLU A 18 -10.836 -8.976 8.958 1.00 2.40 N ATOM 275 CA GLU A 18 -11.977 -8.185 8.468 1.00 1.12 C ATOM 276 C GLU A 18 -11.539 -7.155 7.410 1.00 53.01 C ATOM 277 O GLU A 18 -10.520 -6.481 7.576 1.00 54.01 O ATOM 278 CB GLU A 18 -12.668 -7.449 9.633 1.00 72.33 C ATOM 279 CG GLU A 18 -13.486 -8.342 10.565 1.00 34.20 C ATOM 280 CD GLU A 18 -12.654 -9.401 11.271 1.00 31.43 C ATOM 281 OE1 GLU A 18 -11.921 -9.055 12.224 1.00 12.50 O ATOM 282 OE2 GLU A 18 -12.737 -10.584 10.890 1.00 73.25 O ATOM 0 H GLU A 18 -10.362 -8.563 9.761 1.00 2.40 H new ATOM 0 HA GLU A 18 -12.677 -8.883 8.008 1.00 1.12 H new ATOM 0 HB2 GLU A 18 -11.907 -6.936 10.221 1.00 72.33 H new ATOM 0 HB3 GLU A 18 -13.324 -6.682 9.221 1.00 72.33 H new ATOM 0 HG2 GLU A 18 -13.979 -7.720 11.312 1.00 34.20 H new ATOM 0 HG3 GLU A 18 -14.272 -8.832 9.990 1.00 34.20 H new ATOM 289 N PRO A 19 -12.319 -7.003 6.316 1.00 54.20 N ATOM 290 CA PRO A 19 -12.005 -6.062 5.223 1.00 65.10 C ATOM 291 C PRO A 19 -12.299 -4.586 5.578 1.00 24.41 C ATOM 292 O PRO A 19 -13.106 -3.922 4.919 1.00 44.10 O ATOM 293 CB PRO A 19 -12.915 -6.532 4.064 1.00 55.20 C ATOM 294 CG PRO A 19 -13.559 -7.803 4.534 1.00 54.42 C ATOM 295 CD PRO A 19 -13.556 -7.745 6.036 1.00 71.25 C ATOM 0 HA PRO A 19 -10.941 -6.076 4.986 1.00 65.10 H new ATOM 0 HB2 PRO A 19 -13.666 -5.778 3.827 1.00 55.20 H new ATOM 0 HB3 PRO A 19 -12.335 -6.701 3.156 1.00 55.20 H new ATOM 0 HG2 PRO A 19 -14.575 -7.889 4.150 1.00 54.42 H new ATOM 0 HG3 PRO A 19 -13.008 -8.673 4.177 1.00 54.42 H new ATOM 0 HD2 PRO A 19 -14.435 -7.232 6.425 1.00 71.25 H new ATOM 0 HD3 PRO A 19 -13.544 -8.740 6.482 1.00 71.25 H new ATOM 303 N ALA A 20 -11.647 -4.078 6.623 1.00 21.40 N ATOM 304 CA ALA A 20 -11.765 -2.659 7.005 1.00 13.41 C ATOM 305 C ALA A 20 -10.557 -1.848 6.518 1.00 0.44 C ATOM 306 O ALA A 20 -10.588 -0.618 6.481 1.00 1.45 O ATOM 307 CB ALA A 20 -11.900 -2.523 8.517 1.00 0.12 C ATOM 0 H ALA A 20 -11.030 -4.623 7.225 1.00 21.40 H new ATOM 0 HA ALA A 20 -12.661 -2.262 6.527 1.00 13.41 H new ATOM 0 HB1 ALA A 20 -11.986 -1.469 8.781 1.00 0.12 H new ATOM 0 HB2 ALA A 20 -12.790 -3.055 8.852 1.00 0.12 H new ATOM 0 HB3 ALA A 20 -11.020 -2.948 9.001 1.00 0.12 H new ATOM 313 N PHE A 21 -9.506 -2.555 6.136 1.00 33.12 N ATOM 314 CA PHE A 21 -8.249 -1.931 5.722 1.00 52.11 C ATOM 315 C PHE A 21 -8.188 -1.742 4.198 1.00 51.31 C ATOM 316 O PHE A 21 -8.895 -2.415 3.448 1.00 32.04 O ATOM 317 CB PHE A 21 -7.070 -2.790 6.191 1.00 3.21 C ATOM 318 CG PHE A 21 -7.100 -4.204 5.655 1.00 3.12 C ATOM 319 CD1 PHE A 21 -7.785 -5.204 6.331 1.00 55.25 C ATOM 320 CD2 PHE A 21 -6.452 -4.528 4.471 1.00 30.50 C ATOM 321 CE1 PHE A 21 -7.822 -6.494 5.837 1.00 42.43 C ATOM 322 CE2 PHE A 21 -6.486 -5.817 3.978 1.00 15.00 C ATOM 323 CZ PHE A 21 -7.171 -6.799 4.661 1.00 42.23 C ATOM 0 H PHE A 21 -9.495 -3.574 6.102 1.00 33.12 H new ATOM 0 HA PHE A 21 -8.192 -0.944 6.182 1.00 52.11 H new ATOM 0 HB2 PHE A 21 -6.139 -2.313 5.884 1.00 3.21 H new ATOM 0 HB3 PHE A 21 -7.066 -2.823 7.280 1.00 3.21 H new ATOM 0 HD1 PHE A 21 -8.295 -4.971 7.254 1.00 55.25 H new ATOM 0 HD2 PHE A 21 -5.915 -3.763 3.929 1.00 30.50 H new ATOM 0 HE1 PHE A 21 -8.360 -7.262 6.372 1.00 42.43 H new ATOM 0 HE2 PHE A 21 -5.976 -6.056 3.057 1.00 15.00 H new ATOM 0 HZ PHE A 21 -7.198 -7.807 4.275 1.00 42.23 H new ATOM 333 N THR A 22 -7.336 -0.825 3.749 1.00 74.43 N ATOM 334 CA THR A 22 -7.181 -0.547 2.312 1.00 5.31 C ATOM 335 C THR A 22 -5.701 -0.423 1.909 1.00 72.03 C ATOM 336 O THR A 22 -4.935 0.294 2.549 1.00 23.23 O ATOM 337 CB THR A 22 -7.934 0.745 1.912 1.00 52.14 C ATOM 338 OG1 THR A 22 -9.344 0.584 2.135 1.00 52.24 O ATOM 339 CG2 THR A 22 -7.690 1.103 0.451 1.00 72.21 C ATOM 0 H THR A 22 -6.740 -0.259 4.353 1.00 74.43 H new ATOM 0 HA THR A 22 -7.613 -1.395 1.780 1.00 5.31 H new ATOM 0 HB THR A 22 -7.553 1.556 2.533 1.00 52.14 H new ATOM 0 HG1 THR A 22 -9.788 0.379 1.286 1.00 52.24 H new ATOM 0 HG21 THR A 22 -8.234 2.015 0.204 1.00 72.21 H new ATOM 0 HG22 THR A 22 -6.624 1.261 0.288 1.00 72.21 H new ATOM 0 HG23 THR A 22 -8.038 0.290 -0.186 1.00 72.21 H new ATOM 347 N ILE A 23 -5.308 -1.126 0.841 1.00 4.32 N ATOM 348 CA ILE A 23 -3.909 -1.133 0.376 1.00 33.33 C ATOM 349 C ILE A 23 -3.680 -0.103 -0.751 1.00 52.11 C ATOM 350 O ILE A 23 -4.478 -0.006 -1.686 1.00 43.41 O ATOM 351 CB ILE A 23 -3.480 -2.541 -0.139 1.00 4.14 C ATOM 352 CG1 ILE A 23 -3.593 -3.612 0.969 1.00 0.31 C ATOM 353 CG2 ILE A 23 -2.056 -2.507 -0.697 1.00 31.53 C ATOM 354 CD1 ILE A 23 -5.013 -4.026 1.299 1.00 14.32 C ATOM 0 H ILE A 23 -5.937 -1.699 0.279 1.00 4.32 H new ATOM 0 HA ILE A 23 -3.300 -0.865 1.239 1.00 33.33 H new ATOM 0 HB ILE A 23 -4.165 -2.814 -0.942 1.00 4.14 H new ATOM 0 HG12 ILE A 23 -3.032 -4.495 0.662 1.00 0.31 H new ATOM 0 HG13 ILE A 23 -3.119 -3.232 1.874 1.00 0.31 H new ATOM 0 HG21 ILE A 23 -1.780 -3.501 -1.050 1.00 31.53 H new ATOM 0 HG22 ILE A 23 -2.007 -1.801 -1.526 1.00 31.53 H new ATOM 0 HG23 ILE A 23 -1.365 -2.195 0.087 1.00 31.53 H new ATOM 0 HD11 ILE A 23 -4.999 -4.780 2.086 1.00 14.32 H new ATOM 0 HD12 ILE A 23 -5.576 -3.157 1.640 1.00 14.32 H new ATOM 0 HD13 ILE A 23 -5.488 -4.439 0.409 1.00 14.32 H new ATOM 366 N LEU A 24 -2.580 0.651 -0.662 1.00 54.10 N ATOM 367 CA LEU A 24 -2.238 1.668 -1.671 1.00 31.13 C ATOM 368 C LEU A 24 -0.958 1.317 -2.441 1.00 45.14 C ATOM 369 O LEU A 24 0.080 1.017 -1.845 1.00 52.41 O ATOM 370 CB LEU A 24 -2.062 3.040 -1.012 1.00 32.35 C ATOM 371 CG LEU A 24 -3.285 3.564 -0.253 1.00 30.24 C ATOM 372 CD1 LEU A 24 -3.040 4.987 0.240 1.00 54.02 C ATOM 373 CD2 LEU A 24 -4.535 3.495 -1.128 1.00 63.41 C ATOM 0 H LEU A 24 -1.906 0.578 0.100 1.00 54.10 H new ATOM 0 HA LEU A 24 -3.066 1.695 -2.379 1.00 31.13 H new ATOM 0 HB2 LEU A 24 -1.221 2.987 -0.320 1.00 32.35 H new ATOM 0 HB3 LEU A 24 -1.796 3.763 -1.783 1.00 32.35 H new ATOM 0 HG LEU A 24 -3.449 2.928 0.617 1.00 30.24 H new ATOM 0 HD11 LEU A 24 -3.919 5.343 0.777 1.00 54.02 H new ATOM 0 HD12 LEU A 24 -2.178 4.997 0.908 1.00 54.02 H new ATOM 0 HD13 LEU A 24 -2.847 5.639 -0.612 1.00 54.02 H new ATOM 0 HD21 LEU A 24 -5.392 3.872 -0.569 1.00 63.41 H new ATOM 0 HD22 LEU A 24 -4.388 4.103 -2.021 1.00 63.41 H new ATOM 0 HD23 LEU A 24 -4.719 2.461 -1.419 1.00 63.41 H new ATOM 385 N ASP A 25 -1.041 1.370 -3.768 1.00 45.24 N ATOM 386 CA ASP A 25 0.118 1.148 -4.636 1.00 51.42 C ATOM 387 C ASP A 25 0.817 2.480 -4.951 1.00 62.11 C ATOM 388 O ASP A 25 0.418 3.193 -5.873 1.00 2.54 O ATOM 389 CB ASP A 25 -0.343 0.483 -5.936 1.00 5.24 C ATOM 390 CG ASP A 25 0.793 -0.142 -6.727 1.00 24.43 C ATOM 391 OD1 ASP A 25 1.865 0.487 -6.870 1.00 65.14 O ATOM 392 OD2 ASP A 25 0.619 -1.281 -7.197 1.00 41.41 O ATOM 0 H ASP A 25 -1.906 1.566 -4.272 1.00 45.24 H new ATOM 0 HA ASP A 25 0.827 0.498 -4.123 1.00 51.42 H new ATOM 0 HB2 ASP A 25 -1.079 -0.286 -5.701 1.00 5.24 H new ATOM 0 HB3 ASP A 25 -0.844 1.225 -6.558 1.00 5.24 H new ATOM 397 N VAL A 26 1.862 2.814 -4.195 1.00 53.34 N ATOM 398 CA VAL A 26 2.521 4.118 -4.346 1.00 14.42 C ATOM 399 C VAL A 26 3.731 4.054 -5.286 1.00 23.40 C ATOM 400 O VAL A 26 4.463 5.034 -5.441 1.00 0.30 O ATOM 401 CB VAL A 26 2.949 4.696 -2.976 1.00 20.31 C ATOM 402 CG1 VAL A 26 1.722 4.941 -2.103 1.00 11.23 C ATOM 403 CG2 VAL A 26 3.945 3.770 -2.276 1.00 32.22 C ATOM 0 H VAL A 26 2.269 2.211 -3.480 1.00 53.34 H new ATOM 0 HA VAL A 26 1.783 4.783 -4.795 1.00 14.42 H new ATOM 0 HB VAL A 26 3.450 5.650 -3.144 1.00 20.31 H new ATOM 0 HG11 VAL A 26 2.035 5.348 -1.141 1.00 11.23 H new ATOM 0 HG12 VAL A 26 1.059 5.650 -2.598 1.00 11.23 H new ATOM 0 HG13 VAL A 26 1.194 4.000 -1.945 1.00 11.23 H new ATOM 0 HG21 VAL A 26 4.229 4.200 -1.316 1.00 32.22 H new ATOM 0 HG22 VAL A 26 3.484 2.795 -2.115 1.00 32.22 H new ATOM 0 HG23 VAL A 26 4.832 3.653 -2.898 1.00 32.22 H new ATOM 413 N ARG A 27 3.926 2.908 -5.932 1.00 40.54 N ATOM 414 CA ARG A 27 5.025 2.736 -6.884 1.00 71.24 C ATOM 415 C ARG A 27 4.838 3.647 -8.108 1.00 43.13 C ATOM 416 O ARG A 27 5.681 4.499 -8.403 1.00 62.20 O ATOM 417 CB ARG A 27 5.111 1.271 -7.328 1.00 3.20 C ATOM 418 CG ARG A 27 5.418 0.297 -6.194 1.00 54.13 C ATOM 419 CD ARG A 27 5.333 -1.154 -6.660 1.00 34.34 C ATOM 420 NE ARG A 27 3.998 -1.499 -7.118 1.00 24.20 N ATOM 421 CZ ARG A 27 3.716 -2.588 -7.767 1.00 62.12 C ATOM 422 NH1 ARG A 27 4.623 -3.493 -7.972 1.00 2.41 N ATOM 423 NH2 ARG A 27 2.526 -2.773 -8.210 1.00 24.42 N ATOM 0 H ARG A 27 3.338 2.083 -5.815 1.00 40.54 H new ATOM 0 HA ARG A 27 5.954 3.015 -6.388 1.00 71.24 H new ATOM 0 HB2 ARG A 27 4.167 0.986 -7.792 1.00 3.20 H new ATOM 0 HB3 ARG A 27 5.883 1.178 -8.092 1.00 3.20 H new ATOM 0 HG2 ARG A 27 6.416 0.496 -5.803 1.00 54.13 H new ATOM 0 HG3 ARG A 27 4.717 0.458 -5.375 1.00 54.13 H new ATOM 0 HD2 ARG A 27 6.047 -1.319 -7.467 1.00 34.34 H new ATOM 0 HD3 ARG A 27 5.618 -1.815 -5.842 1.00 34.34 H new ATOM 0 HE ARG A 27 3.238 -0.848 -6.918 1.00 24.20 H new ATOM 0 HH11 ARG A 27 5.571 -3.354 -7.622 1.00 2.41 H new ATOM 0 HH12 ARG A 27 4.388 -4.344 -8.483 1.00 2.41 H new ATOM 0 HH21 ARG A 27 1.807 -2.067 -8.052 1.00 24.42 H new ATOM 0 HH22 ARG A 27 2.299 -3.626 -8.720 1.00 24.42 H new ATOM 437 N ASP A 28 3.717 3.456 -8.802 1.00 63.13 N ATOM 438 CA ASP A 28 3.368 4.235 -9.995 1.00 52.51 C ATOM 439 C ASP A 28 2.053 3.721 -10.586 1.00 30.40 C ATOM 440 O ASP A 28 1.633 2.608 -10.290 1.00 60.12 O ATOM 441 CB ASP A 28 4.478 4.145 -11.053 1.00 1.24 C ATOM 442 CG ASP A 28 4.123 4.888 -12.327 1.00 25.24 C ATOM 443 OD1 ASP A 28 3.832 6.098 -12.256 1.00 2.43 O ATOM 444 OD2 ASP A 28 4.093 4.251 -13.401 1.00 1.04 O ATOM 0 H ASP A 28 3.020 2.754 -8.553 1.00 63.13 H new ATOM 0 HA ASP A 28 3.254 5.278 -9.700 1.00 52.51 H new ATOM 0 HB2 ASP A 28 5.402 4.553 -10.643 1.00 1.24 H new ATOM 0 HB3 ASP A 28 4.669 3.098 -11.287 1.00 1.24 H new ATOM 449 N ARG A 29 1.411 4.525 -11.425 1.00 54.35 N ATOM 450 CA ARG A 29 0.177 4.100 -12.086 1.00 14.21 C ATOM 451 C ARG A 29 0.428 2.915 -13.046 1.00 42.00 C ATOM 452 O ARG A 29 -0.347 1.958 -13.086 1.00 42.22 O ATOM 453 CB ARG A 29 -0.444 5.272 -12.851 1.00 12.33 C ATOM 454 CG ARG A 29 -1.786 4.940 -13.489 1.00 0.25 C ATOM 455 CD ARG A 29 -2.871 4.669 -12.445 1.00 62.30 C ATOM 456 NE ARG A 29 -4.125 4.239 -13.055 1.00 2.34 N ATOM 457 CZ ARG A 29 -5.066 5.052 -13.455 1.00 42.41 C ATOM 458 NH1 ARG A 29 -4.940 6.332 -13.316 1.00 74.03 N ATOM 459 NH2 ARG A 29 -6.139 4.574 -13.996 1.00 34.54 N ATOM 0 H ARG A 29 1.719 5.468 -11.664 1.00 54.35 H new ATOM 0 HA ARG A 29 -0.516 3.766 -11.314 1.00 14.21 H new ATOM 0 HB2 ARG A 29 -0.573 6.113 -12.169 1.00 12.33 H new ATOM 0 HB3 ARG A 29 0.248 5.596 -13.628 1.00 12.33 H new ATOM 0 HG2 ARG A 29 -2.097 5.767 -14.128 1.00 0.25 H new ATOM 0 HG3 ARG A 29 -1.675 4.066 -14.131 1.00 0.25 H new ATOM 0 HD2 ARG A 29 -2.524 3.902 -11.753 1.00 62.30 H new ATOM 0 HD3 ARG A 29 -3.044 5.572 -11.860 1.00 62.30 H new ATOM 0 HE ARG A 29 -4.277 3.238 -13.177 1.00 2.34 H new ATOM 0 HH11 ARG A 29 -4.098 6.718 -12.889 1.00 74.03 H new ATOM 0 HH12 ARG A 29 -5.683 6.955 -13.633 1.00 74.03 H new ATOM 0 HH21 ARG A 29 -6.248 3.566 -14.109 1.00 34.54 H new ATOM 0 HH22 ARG A 29 -6.876 5.205 -14.310 1.00 34.54 H new ATOM 473 N SER A 30 1.526 2.975 -13.804 1.00 4.33 N ATOM 474 CA SER A 30 1.864 1.917 -14.764 1.00 3.13 C ATOM 475 C SER A 30 2.435 0.696 -14.043 1.00 4.33 C ATOM 476 O SER A 30 2.219 -0.442 -14.455 1.00 31.23 O ATOM 477 CB SER A 30 2.872 2.429 -15.803 1.00 62.52 C ATOM 478 OG SER A 30 3.086 1.477 -16.835 1.00 73.02 O ATOM 0 H SER A 30 2.196 3.743 -13.773 1.00 4.33 H new ATOM 0 HA SER A 30 0.948 1.625 -15.278 1.00 3.13 H new ATOM 0 HB2 SER A 30 2.508 3.361 -16.236 1.00 62.52 H new ATOM 0 HB3 SER A 30 3.819 2.654 -15.312 1.00 62.52 H new ATOM 0 HG SER A 30 3.731 1.834 -17.481 1.00 73.02 H new ATOM 484 N THR A 31 3.155 0.941 -12.953 1.00 62.13 N ATOM 485 CA THR A 31 3.666 -0.146 -12.109 1.00 54.12 C ATOM 486 C THR A 31 2.518 -0.829 -11.358 1.00 73.44 C ATOM 487 O THR A 31 2.536 -2.038 -11.123 1.00 40.21 O ATOM 488 CB THR A 31 4.725 0.357 -11.103 1.00 23.42 C ATOM 489 OG1 THR A 31 5.842 0.932 -11.804 1.00 15.03 O ATOM 490 CG2 THR A 31 5.224 -0.779 -10.222 1.00 20.52 C ATOM 0 H THR A 31 3.400 1.877 -12.630 1.00 62.13 H new ATOM 0 HA THR A 31 4.146 -0.869 -12.769 1.00 54.12 H new ATOM 0 HB THR A 31 4.254 1.113 -10.474 1.00 23.42 H new ATOM 0 HG1 THR A 31 6.506 1.249 -11.157 1.00 15.03 H new ATOM 0 HG21 THR A 31 5.968 -0.397 -9.523 1.00 20.52 H new ATOM 0 HG22 THR A 31 4.388 -1.202 -9.666 1.00 20.52 H new ATOM 0 HG23 THR A 31 5.674 -1.552 -10.845 1.00 20.52 H new ATOM 498 N TYR A 32 1.508 -0.047 -10.991 1.00 15.21 N ATOM 499 CA TYR A 32 0.259 -0.605 -10.485 1.00 31.10 C ATOM 500 C TYR A 32 -0.343 -1.548 -11.529 1.00 52.21 C ATOM 501 O TYR A 32 -0.881 -2.598 -11.202 1.00 20.35 O ATOM 502 CB TYR A 32 -0.735 0.517 -10.132 1.00 30.40 C ATOM 503 CG TYR A 32 -2.179 0.052 -10.006 1.00 62.31 C ATOM 504 CD1 TYR A 32 -2.623 -0.634 -8.878 1.00 54.24 C ATOM 505 CD2 TYR A 32 -3.095 0.292 -11.027 1.00 61.43 C ATOM 506 CE1 TYR A 32 -3.935 -1.064 -8.776 1.00 2.13 C ATOM 507 CE2 TYR A 32 -4.405 -0.132 -10.929 1.00 75.13 C ATOM 508 CZ TYR A 32 -4.821 -0.811 -9.803 1.00 62.34 C ATOM 509 OH TYR A 32 -6.128 -1.239 -9.705 1.00 30.45 O ATOM 0 H TYR A 32 1.529 0.972 -11.034 1.00 15.21 H new ATOM 0 HA TYR A 32 0.467 -1.168 -9.575 1.00 31.10 H new ATOM 0 HB2 TYR A 32 -0.429 0.976 -9.192 1.00 30.40 H new ATOM 0 HB3 TYR A 32 -0.679 1.291 -10.898 1.00 30.40 H new ATOM 0 HD1 TYR A 32 -1.934 -0.833 -8.071 1.00 54.24 H new ATOM 0 HD2 TYR A 32 -2.774 0.820 -11.913 1.00 61.43 H new ATOM 0 HE1 TYR A 32 -4.264 -1.596 -7.895 1.00 2.13 H new ATOM 0 HE2 TYR A 32 -5.101 0.067 -11.730 1.00 75.13 H new ATOM 0 HH TYR A 32 -6.619 -0.979 -10.512 1.00 30.45 H new ATOM 519 N ASN A 33 -0.234 -1.166 -12.791 1.00 23.03 N ATOM 520 CA ASN A 33 -0.717 -2.004 -13.885 1.00 15.22 C ATOM 521 C ASN A 33 0.143 -3.271 -14.069 1.00 22.31 C ATOM 522 O ASN A 33 -0.398 -4.370 -14.191 1.00 60.12 O ATOM 523 CB ASN A 33 -0.762 -1.201 -15.190 1.00 70.31 C ATOM 524 CG ASN A 33 -1.841 -0.131 -15.178 1.00 55.24 C ATOM 525 OD1 ASN A 33 -2.893 -0.294 -14.560 1.00 43.43 O ATOM 526 ND2 ASN A 33 -1.599 0.970 -15.860 1.00 33.31 N ATOM 0 H ASN A 33 0.183 -0.283 -13.087 1.00 23.03 H new ATOM 0 HA ASN A 33 -1.725 -2.328 -13.625 1.00 15.22 H new ATOM 0 HB2 ASN A 33 0.208 -0.733 -15.358 1.00 70.31 H new ATOM 0 HB3 ASN A 33 -0.937 -1.880 -16.025 1.00 70.31 H new ATOM 0 HD21 ASN A 33 -2.293 1.717 -15.886 1.00 33.31 H new ATOM 0 HD22 ASN A 33 -0.717 1.076 -16.362 1.00 33.31 H new ATOM 533 N ASP A 34 1.477 -3.131 -14.074 1.00 61.43 N ATOM 534 CA ASP A 34 2.351 -4.258 -14.412 1.00 2.11 C ATOM 535 C ASP A 34 2.313 -5.400 -13.373 1.00 45.41 C ATOM 536 O ASP A 34 2.186 -6.563 -13.759 1.00 33.42 O ATOM 537 CB ASP A 34 3.796 -3.795 -14.710 1.00 54.44 C ATOM 538 CG ASP A 34 4.540 -3.118 -13.571 1.00 13.02 C ATOM 539 OD1 ASP A 34 4.468 -3.590 -12.425 1.00 62.50 O ATOM 540 OD2 ASP A 34 5.257 -2.131 -13.844 1.00 0.24 O ATOM 0 H ASP A 34 1.965 -2.263 -13.852 1.00 61.43 H new ATOM 0 HA ASP A 34 1.946 -4.683 -15.330 1.00 2.11 H new ATOM 0 HB2 ASP A 34 4.374 -4.663 -15.026 1.00 54.44 H new ATOM 0 HB3 ASP A 34 3.766 -3.107 -15.555 1.00 54.44 H new ATOM 545 N GLY A 35 2.396 -5.095 -12.075 1.00 25.12 N ATOM 546 CA GLY A 35 2.271 -6.153 -11.066 1.00 30.45 C ATOM 547 C GLY A 35 1.936 -5.634 -9.669 1.00 15.10 C ATOM 548 O GLY A 35 2.825 -5.214 -8.934 1.00 34.21 O ATOM 0 H GLY A 35 2.544 -4.156 -11.705 1.00 25.12 H new ATOM 0 HA2 GLY A 35 1.496 -6.852 -11.380 1.00 30.45 H new ATOM 0 HA3 GLY A 35 3.205 -6.712 -11.022 1.00 30.45 H new ATOM 552 N HIS A 36 0.655 -5.692 -9.287 1.00 44.21 N ATOM 553 CA HIS A 36 0.188 -5.126 -8.006 1.00 43.33 C ATOM 554 C HIS A 36 -0.495 -6.182 -7.123 1.00 41.30 C ATOM 555 O HIS A 36 -0.881 -7.244 -7.603 1.00 10.22 O ATOM 556 CB HIS A 36 -0.791 -3.968 -8.267 1.00 74.03 C ATOM 557 CG HIS A 36 -2.051 -4.369 -8.989 1.00 64.44 C ATOM 558 ND1 HIS A 36 -2.120 -4.514 -10.358 1.00 54.34 N ATOM 559 CD2 HIS A 36 -3.303 -4.620 -8.531 1.00 64.22 C ATOM 560 CE1 HIS A 36 -3.347 -4.830 -10.713 1.00 22.02 C ATOM 561 NE2 HIS A 36 -4.086 -4.902 -9.625 1.00 11.22 N ATOM 0 H HIS A 36 -0.081 -6.125 -9.844 1.00 44.21 H new ATOM 0 HA HIS A 36 1.066 -4.761 -7.474 1.00 43.33 H new ATOM 0 HB2 HIS A 36 -1.062 -3.515 -7.313 1.00 74.03 H new ATOM 0 HB3 HIS A 36 -0.281 -3.201 -8.850 1.00 74.03 H new ATOM 0 HD1 HIS A 36 -1.337 -4.394 -11.000 1.00 54.34 H new ATOM 0 HD2 HIS A 36 -3.624 -4.602 -7.500 1.00 64.22 H new ATOM 0 HE1 HIS A 36 -3.689 -5.001 -11.723 1.00 22.02 H new ATOM 570 N ILE A 37 -0.658 -5.878 -5.836 1.00 23.04 N ATOM 571 CA ILE A 37 -1.412 -6.749 -4.922 1.00 40.24 C ATOM 572 C ILE A 37 -2.880 -6.858 -5.363 1.00 62.41 C ATOM 573 O ILE A 37 -3.481 -5.872 -5.796 1.00 15.21 O ATOM 574 CB ILE A 37 -1.347 -6.225 -3.461 1.00 64.22 C ATOM 575 CG1 ILE A 37 0.097 -6.289 -2.934 1.00 52.02 C ATOM 576 CG2 ILE A 37 -2.290 -7.013 -2.547 1.00 40.35 C ATOM 577 CD1 ILE A 37 0.264 -5.758 -1.523 1.00 23.42 C ATOM 0 H ILE A 37 -0.280 -5.037 -5.399 1.00 23.04 H new ATOM 0 HA ILE A 37 -0.951 -7.736 -4.959 1.00 40.24 H new ATOM 0 HB ILE A 37 -1.674 -5.185 -3.460 1.00 64.22 H new ATOM 0 HG12 ILE A 37 0.438 -7.324 -2.964 1.00 52.02 H new ATOM 0 HG13 ILE A 37 0.743 -5.721 -3.604 1.00 52.02 H new ATOM 0 HG21 ILE A 37 -2.222 -6.623 -1.531 1.00 40.35 H new ATOM 0 HG22 ILE A 37 -3.314 -6.912 -2.907 1.00 40.35 H new ATOM 0 HG23 ILE A 37 -2.006 -8.065 -2.551 1.00 40.35 H new ATOM 0 HD11 ILE A 37 1.310 -5.838 -1.226 1.00 23.42 H new ATOM 0 HD12 ILE A 37 -0.044 -4.713 -1.489 1.00 23.42 H new ATOM 0 HD13 ILE A 37 -0.353 -6.341 -0.839 1.00 23.42 H new ATOM 589 N MET A 38 -3.447 -8.059 -5.259 1.00 41.05 N ATOM 590 CA MET A 38 -4.833 -8.312 -5.678 1.00 34.51 C ATOM 591 C MET A 38 -5.828 -7.333 -5.012 1.00 65.32 C ATOM 592 O MET A 38 -6.051 -7.390 -3.801 1.00 42.42 O ATOM 593 CB MET A 38 -5.228 -9.756 -5.336 1.00 42.11 C ATOM 594 CG MET A 38 -6.550 -10.206 -5.956 1.00 1.34 C ATOM 595 SD MET A 38 -6.402 -10.621 -7.707 1.00 51.13 S ATOM 596 CE MET A 38 -5.308 -12.037 -7.639 1.00 62.24 C ATOM 0 H MET A 38 -2.968 -8.879 -4.887 1.00 41.05 H new ATOM 0 HA MET A 38 -4.882 -8.157 -6.756 1.00 34.51 H new ATOM 0 HB2 MET A 38 -4.436 -10.426 -5.670 1.00 42.11 H new ATOM 0 HB3 MET A 38 -5.295 -9.856 -4.253 1.00 42.11 H new ATOM 0 HG2 MET A 38 -6.923 -11.074 -5.413 1.00 1.34 H new ATOM 0 HG3 MET A 38 -7.289 -9.414 -5.837 1.00 1.34 H new ATOM 0 HE1 MET A 38 -5.265 -12.511 -8.620 1.00 62.24 H new ATOM 0 HE2 MET A 38 -4.309 -11.711 -7.349 1.00 62.24 H new ATOM 0 HE3 MET A 38 -5.683 -12.752 -6.907 1.00 62.24 H new ATOM 606 N GLY A 39 -6.406 -6.431 -5.806 1.00 24.23 N ATOM 607 CA GLY A 39 -7.425 -5.510 -5.300 1.00 43.45 C ATOM 608 C GLY A 39 -6.868 -4.206 -4.722 1.00 1.45 C ATOM 609 O GLY A 39 -7.613 -3.419 -4.133 1.00 65.51 O ATOM 0 H GLY A 39 -6.188 -6.318 -6.796 1.00 24.23 H new ATOM 0 HA2 GLY A 39 -8.114 -5.269 -6.110 1.00 43.45 H new ATOM 0 HA3 GLY A 39 -8.005 -6.017 -4.528 1.00 43.45 H new ATOM 613 N ALA A 40 -5.568 -3.963 -4.891 1.00 62.24 N ATOM 614 CA ALA A 40 -4.946 -2.731 -4.382 1.00 15.43 C ATOM 615 C ALA A 40 -5.446 -1.481 -5.122 1.00 4.33 C ATOM 616 O ALA A 40 -5.958 -1.562 -6.240 1.00 22.53 O ATOM 617 CB ALA A 40 -3.429 -2.814 -4.473 1.00 70.02 C ATOM 0 H ALA A 40 -4.926 -4.594 -5.371 1.00 62.24 H new ATOM 0 HA ALA A 40 -5.239 -2.639 -3.336 1.00 15.43 H new ATOM 0 HB1 ALA A 40 -2.991 -1.892 -4.091 1.00 70.02 H new ATOM 0 HB2 ALA A 40 -3.075 -3.657 -3.880 1.00 70.02 H new ATOM 0 HB3 ALA A 40 -3.134 -2.952 -5.513 1.00 70.02 H new ATOM 623 N MET A 41 -5.278 -0.323 -4.486 1.00 72.41 N ATOM 624 CA MET A 41 -5.746 0.953 -5.040 1.00 22.21 C ATOM 625 C MET A 41 -4.686 1.634 -5.908 1.00 12.32 C ATOM 626 O MET A 41 -3.487 1.571 -5.618 1.00 63.23 O ATOM 627 CB MET A 41 -6.144 1.893 -3.904 1.00 22.51 C ATOM 628 CG MET A 41 -7.285 1.358 -3.058 1.00 35.00 C ATOM 629 SD MET A 41 -8.851 1.311 -3.952 1.00 30.54 S ATOM 630 CE MET A 41 -9.092 3.051 -4.323 1.00 44.55 C ATOM 0 H MET A 41 -4.818 -0.239 -3.579 1.00 72.41 H new ATOM 0 HA MET A 41 -6.605 0.734 -5.674 1.00 22.21 H new ATOM 0 HB2 MET A 41 -5.278 2.068 -3.266 1.00 22.51 H new ATOM 0 HB3 MET A 41 -6.432 2.857 -4.323 1.00 22.51 H new ATOM 0 HG2 MET A 41 -7.037 0.354 -2.714 1.00 35.00 H new ATOM 0 HG3 MET A 41 -7.397 1.980 -2.170 1.00 35.00 H new ATOM 0 HE1 MET A 41 -10.149 3.240 -4.509 1.00 44.55 H new ATOM 0 HE2 MET A 41 -8.759 3.653 -3.477 1.00 44.55 H new ATOM 0 HE3 MET A 41 -8.514 3.318 -5.208 1.00 44.55 H new ATOM 640 N ALA A 42 -5.141 2.317 -6.953 1.00 33.11 N ATOM 641 CA ALA A 42 -4.244 3.045 -7.848 1.00 34.33 C ATOM 642 C ALA A 42 -3.897 4.424 -7.268 1.00 75.03 C ATOM 643 O ALA A 42 -4.410 5.452 -7.718 1.00 13.42 O ATOM 644 CB ALA A 42 -4.867 3.178 -9.236 1.00 1.21 C ATOM 0 H ALA A 42 -6.128 2.383 -7.203 1.00 33.11 H new ATOM 0 HA ALA A 42 -3.318 2.478 -7.943 1.00 34.33 H new ATOM 0 HB1 ALA A 42 -4.186 3.723 -9.890 1.00 1.21 H new ATOM 0 HB2 ALA A 42 -5.051 2.186 -9.649 1.00 1.21 H new ATOM 0 HB3 ALA A 42 -5.810 3.720 -9.161 1.00 1.21 H new ATOM 650 N MET A 43 -3.053 4.427 -6.243 1.00 0.03 N ATOM 651 CA MET A 43 -2.596 5.666 -5.602 1.00 21.42 C ATOM 652 C MET A 43 -1.092 5.882 -5.833 1.00 51.53 C ATOM 653 O MET A 43 -0.282 5.590 -4.952 1.00 4.31 O ATOM 654 CB MET A 43 -2.878 5.631 -4.083 1.00 2.42 C ATOM 655 CG MET A 43 -4.237 6.176 -3.657 1.00 44.35 C ATOM 656 SD MET A 43 -5.636 5.160 -4.167 1.00 13.55 S ATOM 657 CE MET A 43 -6.966 6.010 -3.310 1.00 5.12 C ATOM 0 H MET A 43 -2.665 3.579 -5.831 1.00 0.03 H new ATOM 0 HA MET A 43 -3.147 6.492 -6.052 1.00 21.42 H new ATOM 0 HB2 MET A 43 -2.795 4.600 -3.739 1.00 2.42 H new ATOM 0 HB3 MET A 43 -2.101 6.201 -3.573 1.00 2.42 H new ATOM 0 HG2 MET A 43 -4.252 6.275 -2.572 1.00 44.35 H new ATOM 0 HG3 MET A 43 -4.360 7.177 -4.070 1.00 44.35 H new ATOM 0 HE1 MET A 43 -7.860 6.008 -3.933 1.00 5.12 H new ATOM 0 HE2 MET A 43 -7.178 5.500 -2.370 1.00 5.12 H new ATOM 0 HE3 MET A 43 -6.668 7.038 -3.105 1.00 5.12 H new ATOM 667 N PRO A 44 -0.688 6.408 -7.007 1.00 74.33 N ATOM 668 CA PRO A 44 0.731 6.615 -7.311 1.00 61.03 C ATOM 669 C PRO A 44 1.326 7.706 -6.409 1.00 32.21 C ATOM 670 O PRO A 44 0.687 8.726 -6.172 1.00 62.21 O ATOM 671 CB PRO A 44 0.747 7.037 -8.797 1.00 4.13 C ATOM 672 CG PRO A 44 -0.658 6.890 -9.294 1.00 13.22 C ATOM 673 CD PRO A 44 -1.559 6.889 -8.089 1.00 61.32 C ATOM 0 HA PRO A 44 1.334 5.724 -7.134 1.00 61.03 H new ATOM 0 HB2 PRO A 44 1.091 8.066 -8.905 1.00 4.13 H new ATOM 0 HB3 PRO A 44 1.430 6.410 -9.371 1.00 4.13 H new ATOM 0 HG2 PRO A 44 -0.916 7.708 -9.966 1.00 13.22 H new ATOM 0 HG3 PRO A 44 -0.771 5.965 -9.860 1.00 13.22 H new ATOM 0 HD2 PRO A 44 -1.948 7.885 -7.878 1.00 61.32 H new ATOM 0 HD3 PRO A 44 -2.419 6.235 -8.232 1.00 61.32 H new ATOM 681 N ILE A 45 2.546 7.491 -5.917 1.00 15.22 N ATOM 682 CA ILE A 45 3.156 8.365 -4.894 1.00 74.30 C ATOM 683 C ILE A 45 2.999 9.878 -5.194 1.00 13.21 C ATOM 684 O ILE A 45 2.930 10.695 -4.275 1.00 33.14 O ATOM 685 CB ILE A 45 4.656 8.008 -4.715 1.00 23.22 C ATOM 686 CG1 ILE A 45 5.221 8.594 -3.410 1.00 41.12 C ATOM 687 CG2 ILE A 45 5.473 8.482 -5.916 1.00 71.14 C ATOM 688 CD1 ILE A 45 6.593 8.050 -3.050 1.00 50.02 C ATOM 0 H ILE A 45 3.141 6.715 -6.208 1.00 15.22 H new ATOM 0 HA ILE A 45 2.612 8.180 -3.968 1.00 74.30 H new ATOM 0 HB ILE A 45 4.732 6.922 -4.653 1.00 23.22 H new ATOM 0 HG12 ILE A 45 5.281 9.678 -3.503 1.00 41.12 H new ATOM 0 HG13 ILE A 45 4.529 8.382 -2.595 1.00 41.12 H new ATOM 0 HG21 ILE A 45 6.521 8.221 -5.769 1.00 71.14 H new ATOM 0 HG22 ILE A 45 5.103 8.000 -6.821 1.00 71.14 H new ATOM 0 HG23 ILE A 45 5.379 9.563 -6.016 1.00 71.14 H new ATOM 0 HD11 ILE A 45 6.932 8.505 -2.119 1.00 50.02 H new ATOM 0 HD12 ILE A 45 6.534 6.969 -2.925 1.00 50.02 H new ATOM 0 HD13 ILE A 45 7.298 8.285 -3.847 1.00 50.02 H new ATOM 700 N GLU A 46 2.921 10.243 -6.473 1.00 40.21 N ATOM 701 CA GLU A 46 2.764 11.652 -6.870 1.00 41.14 C ATOM 702 C GLU A 46 1.284 12.094 -6.914 1.00 43.23 C ATOM 703 O GLU A 46 0.973 13.268 -6.693 1.00 31.33 O ATOM 704 CB GLU A 46 3.478 11.905 -8.213 1.00 14.14 C ATOM 705 CG GLU A 46 3.262 10.828 -9.284 1.00 35.04 C ATOM 706 CD GLU A 46 1.930 10.938 -10.004 1.00 12.22 C ATOM 707 OE1 GLU A 46 1.727 11.924 -10.745 1.00 42.20 O ATOM 708 OE2 GLU A 46 1.086 10.039 -9.841 1.00 42.05 O ATOM 0 H GLU A 46 2.963 9.589 -7.254 1.00 40.21 H new ATOM 0 HA GLU A 46 3.236 12.268 -6.104 1.00 41.14 H new ATOM 0 HB2 GLU A 46 3.140 12.862 -8.610 1.00 14.14 H new ATOM 0 HB3 GLU A 46 4.548 11.998 -8.025 1.00 14.14 H new ATOM 0 HG2 GLU A 46 4.067 10.891 -10.017 1.00 35.04 H new ATOM 0 HG3 GLU A 46 3.332 9.846 -8.817 1.00 35.04 H new ATOM 715 N ASP A 47 0.377 11.159 -7.189 1.00 4.35 N ATOM 716 CA ASP A 47 -1.069 11.444 -7.186 1.00 51.42 C ATOM 717 C ASP A 47 -1.713 10.980 -5.861 1.00 1.42 C ATOM 718 O ASP A 47 -2.915 11.134 -5.642 1.00 4.23 O ATOM 719 CB ASP A 47 -1.734 10.728 -8.375 1.00 51.42 C ATOM 720 CG ASP A 47 -2.910 11.497 -8.956 1.00 54.45 C ATOM 721 OD1 ASP A 47 -2.859 12.744 -8.971 1.00 20.42 O ATOM 722 OD2 ASP A 47 -3.872 10.860 -9.429 1.00 53.52 O ATOM 0 H ASP A 47 0.612 10.193 -7.418 1.00 4.35 H new ATOM 0 HA ASP A 47 -1.217 12.520 -7.279 1.00 51.42 H new ATOM 0 HB2 ASP A 47 -0.991 10.568 -9.156 1.00 51.42 H new ATOM 0 HB3 ASP A 47 -2.075 9.744 -8.054 1.00 51.42 H new ATOM 727 N LEU A 48 -0.876 10.431 -4.984 1.00 2.35 N ATOM 728 CA LEU A 48 -1.308 9.797 -3.732 1.00 13.05 C ATOM 729 C LEU A 48 -2.243 10.679 -2.878 1.00 15.24 C ATOM 730 O LEU A 48 -3.358 10.266 -2.552 1.00 0.05 O ATOM 731 CB LEU A 48 -0.064 9.409 -2.916 1.00 11.32 C ATOM 732 CG LEU A 48 -0.329 8.818 -1.521 1.00 31.14 C ATOM 733 CD1 LEU A 48 -1.099 7.506 -1.617 1.00 45.41 C ATOM 734 CD2 LEU A 48 0.982 8.622 -0.764 1.00 62.34 C ATOM 0 H LEU A 48 0.135 10.411 -5.121 1.00 2.35 H new ATOM 0 HA LEU A 48 -1.891 8.917 -4.003 1.00 13.05 H new ATOM 0 HB2 LEU A 48 0.512 8.685 -3.492 1.00 11.32 H new ATOM 0 HB3 LEU A 48 0.561 10.295 -2.801 1.00 11.32 H new ATOM 0 HG LEU A 48 -0.945 9.526 -0.966 1.00 31.14 H new ATOM 0 HD11 LEU A 48 -1.272 7.111 -0.616 1.00 45.41 H new ATOM 0 HD12 LEU A 48 -2.056 7.681 -2.108 1.00 45.41 H new ATOM 0 HD13 LEU A 48 -0.520 6.786 -2.196 1.00 45.41 H new ATOM 0 HD21 LEU A 48 0.774 8.203 0.221 1.00 62.34 H new ATOM 0 HD22 LEU A 48 1.625 7.940 -1.320 1.00 62.34 H new ATOM 0 HD23 LEU A 48 1.484 9.583 -0.651 1.00 62.34 H new ATOM 746 N VAL A 49 -1.790 11.879 -2.513 1.00 70.51 N ATOM 747 CA VAL A 49 -2.555 12.755 -1.608 1.00 72.22 C ATOM 748 C VAL A 49 -3.954 13.068 -2.167 1.00 70.55 C ATOM 749 O VAL A 49 -4.970 12.852 -1.498 1.00 45.43 O ATOM 750 CB VAL A 49 -1.800 14.086 -1.349 1.00 22.11 C ATOM 751 CG1 VAL A 49 -2.602 14.998 -0.422 1.00 33.34 C ATOM 752 CG2 VAL A 49 -0.406 13.815 -0.779 1.00 54.03 C ATOM 0 H VAL A 49 -0.902 12.271 -2.826 1.00 70.51 H new ATOM 0 HA VAL A 49 -2.667 12.214 -0.668 1.00 72.22 H new ATOM 0 HB VAL A 49 -1.682 14.600 -2.303 1.00 22.11 H new ATOM 0 HG11 VAL A 49 -2.051 15.924 -0.256 1.00 33.34 H new ATOM 0 HG12 VAL A 49 -3.565 15.226 -0.879 1.00 33.34 H new ATOM 0 HG13 VAL A 49 -2.763 14.496 0.532 1.00 33.34 H new ATOM 0 HG21 VAL A 49 0.106 14.761 -0.605 1.00 54.03 H new ATOM 0 HG22 VAL A 49 -0.497 13.273 0.162 1.00 54.03 H new ATOM 0 HG23 VAL A 49 0.167 13.217 -1.488 1.00 54.03 H new ATOM 762 N ASP A 50 -3.992 13.561 -3.399 1.00 52.10 N ATOM 763 CA ASP A 50 -5.251 13.884 -4.082 1.00 15.54 C ATOM 764 C ASP A 50 -6.169 12.656 -4.214 1.00 41.11 C ATOM 765 O ASP A 50 -7.374 12.737 -3.950 1.00 13.43 O ATOM 766 CB ASP A 50 -4.954 14.472 -5.464 1.00 24.34 C ATOM 767 CG ASP A 50 -4.207 15.789 -5.373 1.00 45.42 C ATOM 768 OD1 ASP A 50 -2.962 15.769 -5.275 1.00 63.01 O ATOM 769 OD2 ASP A 50 -4.864 16.854 -5.380 1.00 21.41 O ATOM 0 H ASP A 50 -3.158 13.750 -3.956 1.00 52.10 H new ATOM 0 HA ASP A 50 -5.779 14.619 -3.475 1.00 15.54 H new ATOM 0 HB2 ASP A 50 -4.364 13.760 -6.042 1.00 24.34 H new ATOM 0 HB3 ASP A 50 -5.890 14.622 -6.003 1.00 24.34 H new ATOM 774 N ARG A 51 -5.604 11.523 -4.632 1.00 11.44 N ATOM 775 CA ARG A 51 -6.359 10.266 -4.719 1.00 20.13 C ATOM 776 C ARG A 51 -6.968 9.888 -3.363 1.00 53.42 C ATOM 777 O ARG A 51 -8.166 9.616 -3.252 1.00 14.45 O ATOM 778 CB ARG A 51 -5.449 9.123 -5.192 1.00 63.33 C ATOM 779 CG ARG A 51 -5.031 9.184 -6.658 1.00 52.24 C ATOM 780 CD ARG A 51 -6.222 9.050 -7.599 1.00 24.03 C ATOM 781 NE ARG A 51 -6.895 10.333 -7.835 1.00 20.32 N ATOM 782 CZ ARG A 51 -7.203 10.798 -9.014 1.00 24.33 C ATOM 783 NH1 ARG A 51 -6.938 10.121 -10.080 1.00 13.21 N ATOM 784 NH2 ARG A 51 -7.786 11.946 -9.129 1.00 44.43 N ATOM 0 H ARG A 51 -4.627 11.447 -4.916 1.00 11.44 H new ATOM 0 HA ARG A 51 -7.163 10.419 -5.439 1.00 20.13 H new ATOM 0 HB2 ARG A 51 -4.550 9.118 -4.575 1.00 63.33 H new ATOM 0 HB3 ARG A 51 -5.961 8.177 -5.017 1.00 63.33 H new ATOM 0 HG2 ARG A 51 -4.522 10.128 -6.850 1.00 52.24 H new ATOM 0 HG3 ARG A 51 -4.315 8.388 -6.864 1.00 52.24 H new ATOM 0 HD2 ARG A 51 -5.885 8.639 -8.551 1.00 24.03 H new ATOM 0 HD3 ARG A 51 -6.935 8.340 -7.180 1.00 24.03 H new ATOM 0 HE ARG A 51 -7.138 10.899 -7.022 1.00 20.32 H new ATOM 0 HH11 ARG A 51 -6.483 9.211 -10.006 1.00 13.21 H new ATOM 0 HH12 ARG A 51 -7.184 10.496 -10.996 1.00 13.21 H new ATOM 0 HH21 ARG A 51 -8.007 12.492 -8.296 1.00 44.43 H new ATOM 0 HH22 ARG A 51 -8.025 12.306 -10.053 1.00 44.43 H new ATOM 798 N ALA A 52 -6.128 9.881 -2.335 1.00 30.40 N ATOM 799 CA ALA A 52 -6.526 9.437 -0.999 1.00 63.20 C ATOM 800 C ALA A 52 -7.602 10.342 -0.377 1.00 12.23 C ATOM 801 O ALA A 52 -8.639 9.861 0.061 1.00 23.23 O ATOM 802 CB ALA A 52 -5.300 9.353 -0.102 1.00 12.24 C ATOM 0 H ALA A 52 -5.155 10.181 -2.400 1.00 30.40 H new ATOM 0 HA ALA A 52 -6.973 8.447 -1.095 1.00 63.20 H new ATOM 0 HB1 ALA A 52 -5.599 9.022 0.893 1.00 12.24 H new ATOM 0 HB2 ALA A 52 -4.589 8.642 -0.523 1.00 12.24 H new ATOM 0 HB3 ALA A 52 -4.832 10.335 -0.032 1.00 12.24 H new ATOM 808 N SER A 53 -7.364 11.650 -0.349 1.00 13.54 N ATOM 809 CA SER A 53 -8.327 12.596 0.248 1.00 52.13 C ATOM 810 C SER A 53 -9.707 12.507 -0.427 1.00 44.42 C ATOM 811 O SER A 53 -10.744 12.677 0.221 1.00 70.31 O ATOM 812 CB SER A 53 -7.799 14.034 0.157 1.00 12.00 C ATOM 813 OG SER A 53 -8.716 14.961 0.721 1.00 3.34 O ATOM 0 H SER A 53 -6.523 12.085 -0.727 1.00 13.54 H new ATOM 0 HA SER A 53 -8.443 12.319 1.296 1.00 52.13 H new ATOM 0 HB2 SER A 53 -6.843 14.105 0.675 1.00 12.00 H new ATOM 0 HB3 SER A 53 -7.616 14.290 -0.886 1.00 12.00 H new ATOM 0 HG SER A 53 -8.351 15.867 0.649 1.00 3.34 H new ATOM 819 N SER A 54 -9.714 12.220 -1.727 1.00 15.31 N ATOM 820 CA SER A 54 -10.964 12.137 -2.504 1.00 11.20 C ATOM 821 C SER A 54 -11.569 10.719 -2.502 1.00 51.52 C ATOM 822 O SER A 54 -12.594 10.476 -3.141 1.00 71.32 O ATOM 823 CB SER A 54 -10.720 12.588 -3.951 1.00 21.54 C ATOM 824 OG SER A 54 -10.312 13.949 -4.010 1.00 44.11 O ATOM 0 H SER A 54 -8.871 12.040 -2.272 1.00 15.31 H new ATOM 0 HA SER A 54 -11.681 12.801 -2.021 1.00 11.20 H new ATOM 0 HB2 SER A 54 -9.956 11.958 -4.406 1.00 21.54 H new ATOM 0 HB3 SER A 54 -11.632 12.455 -4.534 1.00 21.54 H new ATOM 0 HG SER A 54 -9.333 13.997 -4.024 1.00 44.11 H new ATOM 830 N SER A 55 -10.940 9.784 -1.789 1.00 71.00 N ATOM 831 CA SER A 55 -11.401 8.381 -1.772 1.00 65.21 C ATOM 832 C SER A 55 -11.369 7.779 -0.359 1.00 70.40 C ATOM 833 O SER A 55 -12.383 7.301 0.154 1.00 72.51 O ATOM 834 CB SER A 55 -10.535 7.524 -2.707 1.00 1.33 C ATOM 835 OG SER A 55 -10.569 8.013 -4.042 1.00 24.34 O ATOM 0 H SER A 55 -10.115 9.963 -1.217 1.00 71.00 H new ATOM 0 HA SER A 55 -12.435 8.381 -2.117 1.00 65.21 H new ATOM 0 HB2 SER A 55 -9.506 7.517 -2.347 1.00 1.33 H new ATOM 0 HB3 SER A 55 -10.887 6.493 -2.687 1.00 1.33 H new ATOM 0 HG SER A 55 -9.846 8.661 -4.171 1.00 24.34 H new ATOM 841 N LEU A 56 -10.194 7.803 0.255 1.00 70.32 N ATOM 842 CA LEU A 56 -9.971 7.202 1.575 1.00 51.12 C ATOM 843 C LEU A 56 -10.294 8.161 2.720 1.00 13.33 C ATOM 844 O LEU A 56 -10.388 9.376 2.533 1.00 40.24 O ATOM 845 CB LEU A 56 -8.504 6.787 1.697 1.00 12.34 C ATOM 846 CG LEU A 56 -8.020 5.777 0.655 1.00 23.13 C ATOM 847 CD1 LEU A 56 -6.515 5.574 0.775 1.00 31.44 C ATOM 848 CD2 LEU A 56 -8.766 4.458 0.808 1.00 73.52 C ATOM 0 H LEU A 56 -9.363 8.239 -0.144 1.00 70.32 H new ATOM 0 HA LEU A 56 -10.639 6.344 1.654 1.00 51.12 H new ATOM 0 HB2 LEU A 56 -7.884 7.681 1.627 1.00 12.34 H new ATOM 0 HB3 LEU A 56 -8.345 6.365 2.689 1.00 12.34 H new ATOM 0 HG LEU A 56 -8.230 6.169 -0.340 1.00 23.13 H new ATOM 0 HD11 LEU A 56 -6.184 4.853 0.028 1.00 31.44 H new ATOM 0 HD12 LEU A 56 -6.006 6.524 0.613 1.00 31.44 H new ATOM 0 HD13 LEU A 56 -6.277 5.200 1.771 1.00 31.44 H new ATOM 0 HD21 LEU A 56 -8.410 3.750 0.060 1.00 73.52 H new ATOM 0 HD22 LEU A 56 -8.588 4.053 1.804 1.00 73.52 H new ATOM 0 HD23 LEU A 56 -9.834 4.626 0.670 1.00 73.52 H new ATOM 860 N GLU A 57 -10.442 7.598 3.911 1.00 62.54 N ATOM 861 CA GLU A 57 -10.575 8.390 5.129 1.00 60.30 C ATOM 862 C GLU A 57 -9.266 8.432 5.898 1.00 53.52 C ATOM 863 O GLU A 57 -8.314 7.725 5.581 1.00 70.43 O ATOM 864 CB GLU A 57 -11.655 7.825 6.046 1.00 25.25 C ATOM 865 CG GLU A 57 -13.066 8.016 5.535 1.00 11.35 C ATOM 866 CD GLU A 57 -13.414 7.062 4.401 1.00 62.35 C ATOM 867 OE1 GLU A 57 -13.411 5.835 4.628 1.00 53.01 O ATOM 868 OE2 GLU A 57 -13.682 7.530 3.275 1.00 62.32 O ATOM 0 H GLU A 57 -10.473 6.590 4.062 1.00 62.54 H new ATOM 0 HA GLU A 57 -10.854 9.397 4.819 1.00 60.30 H new ATOM 0 HB2 GLU A 57 -11.474 6.760 6.189 1.00 25.25 H new ATOM 0 HB3 GLU A 57 -11.568 8.297 7.025 1.00 25.25 H new ATOM 0 HG2 GLU A 57 -13.768 7.870 6.356 1.00 11.35 H new ATOM 0 HG3 GLU A 57 -13.187 9.043 5.191 1.00 11.35 H new ATOM 875 N LYS A 58 -9.258 9.224 6.955 1.00 42.35 N ATOM 876 CA LYS A 58 -8.042 9.444 7.748 1.00 30.33 C ATOM 877 C LYS A 58 -8.028 8.553 8.997 1.00 51.32 C ATOM 878 O LYS A 58 -6.966 8.173 9.499 1.00 75.34 O ATOM 879 CB LYS A 58 -7.938 10.923 8.137 1.00 61.01 C ATOM 880 CG LYS A 58 -7.925 11.858 6.927 1.00 40.43 C ATOM 881 CD LYS A 58 -7.698 13.312 7.326 1.00 23.41 C ATOM 882 CE LYS A 58 -7.735 14.251 6.127 1.00 12.13 C ATOM 883 NZ LYS A 58 -7.429 15.654 6.510 1.00 1.12 N ATOM 0 H LYS A 58 -10.077 9.730 7.292 1.00 42.35 H new ATOM 0 HA LYS A 58 -7.178 9.174 7.141 1.00 30.33 H new ATOM 0 HB2 LYS A 58 -8.777 11.184 8.782 1.00 61.01 H new ATOM 0 HB3 LYS A 58 -7.029 11.077 8.719 1.00 61.01 H new ATOM 0 HG2 LYS A 58 -7.141 11.546 6.237 1.00 40.43 H new ATOM 0 HG3 LYS A 58 -8.872 11.773 6.394 1.00 40.43 H new ATOM 0 HD2 LYS A 58 -8.460 13.613 8.044 1.00 23.41 H new ATOM 0 HD3 LYS A 58 -6.734 13.403 7.827 1.00 23.41 H new ATOM 0 HE2 LYS A 58 -7.016 13.914 5.380 1.00 12.13 H new ATOM 0 HE3 LYS A 58 -8.720 14.208 5.663 1.00 12.13 H new ATOM 0 HZ1 LYS A 58 -8.064 16.300 5.999 1.00 1.12 H new ATOM 0 HZ2 LYS A 58 -7.566 15.772 7.534 1.00 1.12 H new ATOM 0 HZ3 LYS A 58 -6.442 15.873 6.266 1.00 1.12 H new ATOM 897 N SER A 59 -9.218 8.221 9.490 1.00 54.13 N ATOM 898 CA SER A 59 -9.368 7.337 10.656 1.00 0.43 C ATOM 899 C SER A 59 -9.332 5.853 10.256 1.00 5.22 C ATOM 900 O SER A 59 -9.064 4.983 11.085 1.00 35.35 O ATOM 901 CB SER A 59 -10.686 7.642 11.378 1.00 3.52 C ATOM 902 OG SER A 59 -10.872 6.801 12.507 1.00 22.43 O ATOM 0 H SER A 59 -10.102 8.550 9.101 1.00 54.13 H new ATOM 0 HA SER A 59 -8.527 7.526 11.323 1.00 0.43 H new ATOM 0 HB2 SER A 59 -10.694 8.685 11.695 1.00 3.52 H new ATOM 0 HB3 SER A 59 -11.518 7.513 10.686 1.00 3.52 H new ATOM 0 HG SER A 59 -11.720 7.023 12.944 1.00 22.43 H new ATOM 908 N ARG A 60 -9.600 5.569 8.981 1.00 0.44 N ATOM 909 CA ARG A 60 -9.618 4.190 8.471 1.00 63.20 C ATOM 910 C ARG A 60 -8.191 3.657 8.247 1.00 32.42 C ATOM 911 O ARG A 60 -7.343 4.353 7.693 1.00 74.32 O ATOM 912 CB ARG A 60 -10.454 4.130 7.175 1.00 71.05 C ATOM 913 CG ARG A 60 -10.566 2.738 6.537 1.00 60.31 C ATOM 914 CD ARG A 60 -9.524 2.516 5.437 1.00 14.34 C ATOM 915 NE ARG A 60 -10.137 2.204 4.141 1.00 14.31 N ATOM 916 CZ ARG A 60 -10.939 3.004 3.479 1.00 22.31 C ATOM 917 NH1 ARG A 60 -11.284 4.159 3.962 1.00 64.25 N ATOM 918 NH2 ARG A 60 -11.407 2.641 2.329 1.00 12.35 N ATOM 0 H ARG A 60 -9.809 6.277 8.277 1.00 0.44 H new ATOM 0 HA ARG A 60 -10.082 3.544 9.217 1.00 63.20 H new ATOM 0 HB2 ARG A 60 -11.458 4.496 7.391 1.00 71.05 H new ATOM 0 HB3 ARG A 60 -10.016 4.813 6.447 1.00 71.05 H new ATOM 0 HG2 ARG A 60 -10.445 1.977 7.308 1.00 60.31 H new ATOM 0 HG3 ARG A 60 -11.565 2.612 6.119 1.00 60.31 H new ATOM 0 HD2 ARG A 60 -8.907 3.409 5.339 1.00 14.34 H new ATOM 0 HD3 ARG A 60 -8.861 1.701 5.728 1.00 14.34 H new ATOM 0 HE ARG A 60 -9.924 1.298 3.724 1.00 14.31 H new ATOM 0 HH11 ARG A 60 -10.930 4.458 4.871 1.00 64.25 H new ATOM 0 HH12 ARG A 60 -11.909 4.767 3.433 1.00 64.25 H new ATOM 0 HH21 ARG A 60 -11.152 1.734 1.938 1.00 12.35 H new ATOM 0 HH22 ARG A 60 -12.031 3.262 1.813 1.00 12.35 H new ATOM 932 N ASP A 61 -7.936 2.423 8.691 1.00 14.05 N ATOM 933 CA ASP A 61 -6.598 1.819 8.605 1.00 63.42 C ATOM 934 C ASP A 61 -6.148 1.598 7.150 1.00 21.40 C ATOM 935 O ASP A 61 -6.755 0.828 6.399 1.00 12.24 O ATOM 936 CB ASP A 61 -6.575 0.500 9.378 1.00 21.43 C ATOM 937 CG ASP A 61 -6.939 0.697 10.841 1.00 23.23 C ATOM 938 OD1 ASP A 61 -6.034 0.997 11.650 1.00 22.30 O ATOM 939 OD2 ASP A 61 -8.133 0.562 11.183 1.00 1.43 O ATOM 0 H ASP A 61 -8.640 1.819 9.116 1.00 14.05 H new ATOM 0 HA ASP A 61 -5.891 2.518 9.053 1.00 63.42 H new ATOM 0 HB2 ASP A 61 -7.273 -0.201 8.921 1.00 21.43 H new ATOM 0 HB3 ASP A 61 -5.583 0.054 9.307 1.00 21.43 H new ATOM 944 N ILE A 62 -5.071 2.274 6.767 1.00 54.43 N ATOM 945 CA ILE A 62 -4.551 2.216 5.400 1.00 63.22 C ATOM 946 C ILE A 62 -3.127 1.634 5.364 1.00 61.24 C ATOM 947 O ILE A 62 -2.256 2.039 6.137 1.00 43.42 O ATOM 948 CB ILE A 62 -4.549 3.629 4.765 1.00 2.44 C ATOM 949 CG1 ILE A 62 -5.972 4.214 4.783 1.00 10.24 C ATOM 950 CG2 ILE A 62 -3.999 3.584 3.340 1.00 53.43 C ATOM 951 CD1 ILE A 62 -6.046 5.673 4.393 1.00 14.44 C ATOM 0 H ILE A 62 -4.533 2.876 7.390 1.00 54.43 H new ATOM 0 HA ILE A 62 -5.205 1.559 4.827 1.00 63.22 H new ATOM 0 HB ILE A 62 -3.897 4.275 5.353 1.00 2.44 H new ATOM 0 HG12 ILE A 62 -6.599 3.636 4.105 1.00 10.24 H new ATOM 0 HG13 ILE A 62 -6.389 4.095 5.783 1.00 10.24 H new ATOM 0 HG21 ILE A 62 -4.007 4.588 2.915 1.00 53.43 H new ATOM 0 HG22 ILE A 62 -2.977 3.205 3.356 1.00 53.43 H new ATOM 0 HG23 ILE A 62 -4.620 2.927 2.731 1.00 53.43 H new ATOM 0 HD11 ILE A 62 -7.083 6.008 4.431 1.00 14.44 H new ATOM 0 HD12 ILE A 62 -5.448 6.265 5.085 1.00 14.44 H new ATOM 0 HD13 ILE A 62 -5.661 5.799 3.381 1.00 14.44 H new ATOM 963 N TYR A 63 -2.899 0.678 4.465 1.00 22.44 N ATOM 964 CA TYR A 63 -1.578 0.060 4.300 1.00 0.52 C ATOM 965 C TYR A 63 -0.943 0.464 2.962 1.00 61.41 C ATOM 966 O TYR A 63 -1.492 0.202 1.893 1.00 62.02 O ATOM 967 CB TYR A 63 -1.685 -1.466 4.393 1.00 23.15 C ATOM 968 CG TYR A 63 -2.180 -1.960 5.739 1.00 72.45 C ATOM 969 CD1 TYR A 63 -1.454 -1.719 6.901 1.00 45.24 C ATOM 970 CD2 TYR A 63 -3.366 -2.678 5.848 1.00 15.04 C ATOM 971 CE1 TYR A 63 -1.897 -2.174 8.128 1.00 60.05 C ATOM 972 CE2 TYR A 63 -3.814 -3.135 7.071 1.00 5.15 C ATOM 973 CZ TYR A 63 -3.077 -2.883 8.206 1.00 23.31 C ATOM 974 OH TYR A 63 -3.521 -3.341 9.426 1.00 12.02 O ATOM 0 H TYR A 63 -3.613 0.311 3.836 1.00 22.44 H new ATOM 0 HA TYR A 63 -0.937 0.419 5.105 1.00 0.52 H new ATOM 0 HB2 TYR A 63 -2.359 -1.823 3.614 1.00 23.15 H new ATOM 0 HB3 TYR A 63 -0.707 -1.903 4.192 1.00 23.15 H new ATOM 0 HD1 TYR A 63 -0.528 -1.167 6.843 1.00 45.24 H new ATOM 0 HD2 TYR A 63 -3.947 -2.882 4.960 1.00 15.04 H new ATOM 0 HE1 TYR A 63 -1.322 -1.976 9.021 1.00 60.05 H new ATOM 0 HE2 TYR A 63 -4.739 -3.688 7.137 1.00 5.15 H new ATOM 0 HH TYR A 63 -4.500 -3.376 9.425 1.00 12.02 H new ATOM 984 N VAL A 64 0.219 1.098 3.036 1.00 23.53 N ATOM 985 CA VAL A 64 0.922 1.603 1.856 1.00 24.14 C ATOM 986 C VAL A 64 2.129 0.724 1.505 1.00 71.43 C ATOM 987 O VAL A 64 2.940 0.403 2.374 1.00 41.35 O ATOM 988 CB VAL A 64 1.416 3.051 2.109 1.00 42.13 C ATOM 989 CG1 VAL A 64 2.257 3.565 0.946 1.00 23.22 C ATOM 990 CG2 VAL A 64 0.235 3.981 2.380 1.00 73.13 C ATOM 0 H VAL A 64 0.704 1.279 3.915 1.00 23.53 H new ATOM 0 HA VAL A 64 0.219 1.585 1.023 1.00 24.14 H new ATOM 0 HB VAL A 64 2.054 3.037 2.993 1.00 42.13 H new ATOM 0 HG11 VAL A 64 2.586 4.582 1.157 1.00 23.22 H new ATOM 0 HG12 VAL A 64 3.127 2.922 0.814 1.00 23.22 H new ATOM 0 HG13 VAL A 64 1.660 3.559 0.034 1.00 23.22 H new ATOM 0 HG21 VAL A 64 0.601 4.993 2.555 1.00 73.13 H new ATOM 0 HG22 VAL A 64 -0.433 3.981 1.519 1.00 73.13 H new ATOM 0 HG23 VAL A 64 -0.307 3.634 3.260 1.00 73.13 H new ATOM 1000 N TYR A 65 2.266 0.335 0.234 1.00 31.00 N ATOM 1001 CA TYR A 65 3.443 -0.428 -0.186 1.00 1.50 C ATOM 1002 C TYR A 65 4.117 0.186 -1.421 1.00 75.54 C ATOM 1003 O TYR A 65 3.468 0.529 -2.417 1.00 22.52 O ATOM 1004 CB TYR A 65 3.097 -1.910 -0.416 1.00 35.04 C ATOM 1005 CG TYR A 65 2.378 -2.238 -1.718 1.00 24.05 C ATOM 1006 CD1 TYR A 65 1.058 -1.863 -1.936 1.00 3.43 C ATOM 1007 CD2 TYR A 65 3.025 -2.956 -2.718 1.00 4.25 C ATOM 1008 CE1 TYR A 65 0.407 -2.193 -3.113 1.00 11.51 C ATOM 1009 CE2 TYR A 65 2.380 -3.294 -3.891 1.00 2.41 C ATOM 1010 CZ TYR A 65 1.071 -2.910 -4.086 1.00 2.41 C ATOM 1011 OH TYR A 65 0.424 -3.254 -5.251 1.00 45.52 O ATOM 0 H TYR A 65 1.593 0.531 -0.507 1.00 31.00 H new ATOM 0 HA TYR A 65 4.164 -0.377 0.630 1.00 1.50 H new ATOM 0 HB2 TYR A 65 4.021 -2.487 -0.380 1.00 35.04 H new ATOM 0 HB3 TYR A 65 2.476 -2.250 0.413 1.00 35.04 H new ATOM 0 HD1 TYR A 65 0.531 -1.305 -1.176 1.00 3.43 H new ATOM 0 HD2 TYR A 65 4.053 -3.255 -2.574 1.00 4.25 H new ATOM 0 HE1 TYR A 65 -0.618 -1.890 -3.268 1.00 11.51 H new ATOM 0 HE2 TYR A 65 2.899 -3.857 -4.653 1.00 2.41 H new ATOM 0 HH TYR A 65 0.546 -2.544 -5.915 1.00 45.52 H new ATOM 1021 N GLY A 66 5.430 0.360 -1.312 1.00 64.35 N ATOM 1022 CA GLY A 66 6.247 0.833 -2.420 1.00 3.24 C ATOM 1023 C GLY A 66 7.292 -0.203 -2.819 1.00 1.35 C ATOM 1024 O GLY A 66 7.389 -1.260 -2.194 1.00 15.04 O ATOM 0 H GLY A 66 5.954 0.178 -0.456 1.00 64.35 H new ATOM 0 HA2 GLY A 66 5.609 1.057 -3.275 1.00 3.24 H new ATOM 0 HA3 GLY A 66 6.742 1.763 -2.139 1.00 3.24 H new ATOM 1028 N ALA A 67 8.074 0.089 -3.849 1.00 14.42 N ATOM 1029 CA ALA A 67 9.142 -0.818 -4.283 1.00 74.11 C ATOM 1030 C ALA A 67 10.335 -0.799 -3.313 1.00 60.34 C ATOM 1031 O ALA A 67 11.084 -1.776 -3.211 1.00 4.55 O ATOM 1032 CB ALA A 67 9.604 -0.459 -5.691 1.00 11.14 C ATOM 0 H ALA A 67 7.994 0.942 -4.402 1.00 14.42 H new ATOM 0 HA ALA A 67 8.733 -1.828 -4.287 1.00 74.11 H new ATOM 0 HB1 ALA A 67 10.397 -1.141 -5.999 1.00 11.14 H new ATOM 0 HB2 ALA A 67 8.765 -0.543 -6.382 1.00 11.14 H new ATOM 0 HB3 ALA A 67 9.981 0.564 -5.701 1.00 11.14 H new ATOM 1038 N GLY A 68 10.510 0.315 -2.598 1.00 34.20 N ATOM 1039 CA GLY A 68 11.639 0.455 -1.680 1.00 44.21 C ATOM 1040 C GLY A 68 11.283 1.141 -0.365 1.00 55.32 C ATOM 1041 O GLY A 68 10.240 1.792 -0.254 1.00 64.12 O ATOM 0 H GLY A 68 9.891 1.124 -2.637 1.00 34.20 H new ATOM 0 HA2 GLY A 68 12.045 -0.534 -1.465 1.00 44.21 H new ATOM 0 HA3 GLY A 68 12.428 1.023 -2.173 1.00 44.21 H new ATOM 1045 N ASP A 69 12.170 1.008 0.622 1.00 14.32 N ATOM 1046 CA ASP A 69 11.976 1.594 1.955 1.00 2.50 C ATOM 1047 C ASP A 69 11.887 3.133 1.893 1.00 50.53 C ATOM 1048 O ASP A 69 11.161 3.763 2.664 1.00 43.21 O ATOM 1049 CB ASP A 69 13.128 1.149 2.863 1.00 25.11 C ATOM 1050 CG ASP A 69 13.106 1.824 4.222 1.00 63.51 C ATOM 1051 OD1 ASP A 69 12.279 1.432 5.074 1.00 43.43 O ATOM 1052 OD2 ASP A 69 13.917 2.750 4.440 1.00 30.43 O ATOM 0 H ASP A 69 13.044 0.492 0.523 1.00 14.32 H new ATOM 0 HA ASP A 69 11.029 1.240 2.362 1.00 2.50 H new ATOM 0 HB2 ASP A 69 13.080 0.069 2.999 1.00 25.11 H new ATOM 0 HB3 ASP A 69 14.076 1.366 2.371 1.00 25.11 H new ATOM 1057 N GLU A 70 12.635 3.730 0.973 1.00 75.14 N ATOM 1058 CA GLU A 70 12.576 5.175 0.740 1.00 3.15 C ATOM 1059 C GLU A 70 11.217 5.585 0.148 1.00 24.30 C ATOM 1060 O GLU A 70 10.608 6.570 0.574 1.00 13.25 O ATOM 1061 CB GLU A 70 13.707 5.595 -0.208 1.00 74.33 C ATOM 1062 CG GLU A 70 13.628 7.048 -0.672 1.00 65.10 C ATOM 1063 CD GLU A 70 14.693 7.394 -1.697 1.00 31.33 C ATOM 1064 OE1 GLU A 70 14.737 6.736 -2.761 1.00 14.22 O ATOM 1065 OE2 GLU A 70 15.489 8.323 -1.451 1.00 44.23 O ATOM 0 H GLU A 70 13.294 3.236 0.371 1.00 75.14 H new ATOM 0 HA GLU A 70 12.697 5.681 1.698 1.00 3.15 H new ATOM 0 HB2 GLU A 70 14.663 5.436 0.292 1.00 74.33 H new ATOM 0 HB3 GLU A 70 13.693 4.945 -1.083 1.00 74.33 H new ATOM 0 HG2 GLU A 70 12.643 7.236 -1.100 1.00 65.10 H new ATOM 0 HG3 GLU A 70 13.732 7.707 0.190 1.00 65.10 H new ATOM 1072 N GLN A 71 10.747 4.820 -0.838 1.00 75.23 N ATOM 1073 CA GLN A 71 9.476 5.109 -1.508 1.00 42.12 C ATOM 1074 C GLN A 71 8.297 5.012 -0.529 1.00 43.13 C ATOM 1075 O GLN A 71 7.405 5.865 -0.529 1.00 65.23 O ATOM 1076 CB GLN A 71 9.272 4.154 -2.690 1.00 4.33 C ATOM 1077 CG GLN A 71 8.080 4.508 -3.572 1.00 71.31 C ATOM 1078 CD GLN A 71 8.057 3.716 -4.867 1.00 2.41 C ATOM 1079 OE1 GLN A 71 8.497 2.574 -4.918 1.00 55.21 O ATOM 1080 NE2 GLN A 71 7.567 4.321 -5.928 1.00 50.25 N ATOM 0 H GLN A 71 11.228 3.993 -1.192 1.00 75.23 H new ATOM 0 HA GLN A 71 9.515 6.132 -1.883 1.00 42.12 H new ATOM 0 HB2 GLN A 71 10.175 4.150 -3.301 1.00 4.33 H new ATOM 0 HB3 GLN A 71 9.141 3.142 -2.308 1.00 4.33 H new ATOM 0 HG2 GLN A 71 7.158 4.324 -3.021 1.00 71.31 H new ATOM 0 HG3 GLN A 71 8.106 5.573 -3.802 1.00 71.31 H new ATOM 0 HE21 GLN A 71 7.208 5.273 -5.852 1.00 50.25 H new ATOM 0 HE22 GLN A 71 7.546 3.838 -6.826 1.00 50.25 H new ATOM 1089 N THR A 72 8.299 3.973 0.306 1.00 32.12 N ATOM 1090 CA THR A 72 7.282 3.829 1.354 1.00 22.35 C ATOM 1091 C THR A 72 7.330 5.011 2.321 1.00 63.03 C ATOM 1092 O THR A 72 6.324 5.679 2.541 1.00 73.13 O ATOM 1093 CB THR A 72 7.466 2.534 2.182 1.00 71.43 C ATOM 1094 OG1 THR A 72 8.817 2.430 2.639 1.00 54.24 O ATOM 1095 CG2 THR A 72 7.104 1.293 1.381 1.00 20.14 C ATOM 0 H THR A 72 8.988 3.221 0.280 1.00 32.12 H new ATOM 0 HA THR A 72 6.323 3.789 0.838 1.00 22.35 H new ATOM 0 HB THR A 72 6.790 2.594 3.035 1.00 71.43 H new ATOM 0 HG1 THR A 72 8.824 2.135 3.573 1.00 54.24 H new ATOM 0 HG21 THR A 72 7.247 0.407 1.999 1.00 20.14 H new ATOM 0 HG22 THR A 72 6.061 1.353 1.069 1.00 20.14 H new ATOM 0 HG23 THR A 72 7.744 1.229 0.501 1.00 20.14 H new ATOM 1103 N SER A 73 8.515 5.266 2.876 1.00 24.41 N ATOM 1104 CA SER A 73 8.712 6.348 3.854 1.00 1.25 C ATOM 1105 C SER A 73 8.148 7.688 3.356 1.00 13.54 C ATOM 1106 O SER A 73 7.390 8.359 4.064 1.00 42.13 O ATOM 1107 CB SER A 73 10.206 6.510 4.178 1.00 2.23 C ATOM 1108 OG SER A 73 10.424 7.571 5.096 1.00 11.41 O ATOM 0 H SER A 73 9.361 4.737 2.666 1.00 24.41 H new ATOM 0 HA SER A 73 8.166 6.068 4.755 1.00 1.25 H new ATOM 0 HB2 SER A 73 10.592 5.580 4.596 1.00 2.23 H new ATOM 0 HB3 SER A 73 10.761 6.702 3.259 1.00 2.23 H new ATOM 0 HG SER A 73 11.383 7.649 5.284 1.00 11.41 H new ATOM 1114 N GLN A 74 8.496 8.065 2.127 1.00 3.40 N ATOM 1115 CA GLN A 74 8.053 9.326 1.555 1.00 65.00 C ATOM 1116 C GLN A 74 6.530 9.340 1.324 1.00 12.33 C ATOM 1117 O GLN A 74 5.851 10.308 1.673 1.00 1.54 O ATOM 1118 CB GLN A 74 8.820 9.582 0.251 1.00 2.34 C ATOM 1119 CG GLN A 74 8.165 10.606 -0.654 1.00 3.43 C ATOM 1120 CD GLN A 74 8.964 10.903 -1.917 1.00 41.22 C ATOM 1121 OE1 GLN A 74 8.923 12.009 -2.449 1.00 52.21 O ATOM 1122 NE2 GLN A 74 9.698 9.923 -2.411 1.00 14.30 N ATOM 0 H GLN A 74 9.087 7.509 1.509 1.00 3.40 H new ATOM 0 HA GLN A 74 8.267 10.130 2.260 1.00 65.00 H new ATOM 0 HB2 GLN A 74 9.828 9.918 0.494 1.00 2.34 H new ATOM 0 HB3 GLN A 74 8.919 8.642 -0.292 1.00 2.34 H new ATOM 0 HG2 GLN A 74 7.175 10.249 -0.936 1.00 3.43 H new ATOM 0 HG3 GLN A 74 8.023 11.532 -0.098 1.00 3.43 H new ATOM 0 HE21 GLN A 74 9.713 9.014 -1.948 1.00 14.30 H new ATOM 0 HE22 GLN A 74 10.250 10.075 -3.255 1.00 14.30 H new ATOM 1131 N ALA A 75 5.998 8.258 0.754 1.00 11.14 N ATOM 1132 CA ALA A 75 4.553 8.146 0.497 1.00 2.41 C ATOM 1133 C ALA A 75 3.739 8.220 1.796 1.00 60.13 C ATOM 1134 O ALA A 75 2.771 8.978 1.895 1.00 23.21 O ATOM 1135 CB ALA A 75 4.255 6.848 -0.238 1.00 63.14 C ATOM 0 H ALA A 75 6.541 7.446 0.460 1.00 11.14 H new ATOM 0 HA ALA A 75 4.257 8.990 -0.126 1.00 2.41 H new ATOM 0 HB1 ALA A 75 3.184 6.773 -0.424 1.00 63.14 H new ATOM 0 HB2 ALA A 75 4.790 6.836 -1.188 1.00 63.14 H new ATOM 0 HB3 ALA A 75 4.577 6.003 0.370 1.00 63.14 H new ATOM 1141 N VAL A 76 4.136 7.425 2.785 1.00 62.04 N ATOM 1142 CA VAL A 76 3.506 7.462 4.109 1.00 44.33 C ATOM 1143 C VAL A 76 3.498 8.893 4.671 1.00 54.15 C ATOM 1144 O VAL A 76 2.465 9.379 5.133 1.00 71.11 O ATOM 1145 CB VAL A 76 4.230 6.509 5.100 1.00 60.42 C ATOM 1146 CG1 VAL A 76 3.677 6.643 6.519 1.00 34.41 C ATOM 1147 CG2 VAL A 76 4.124 5.062 4.622 1.00 51.53 C ATOM 0 H VAL A 76 4.892 6.745 2.699 1.00 62.04 H new ATOM 0 HA VAL A 76 2.476 7.124 3.993 1.00 44.33 H new ATOM 0 HB VAL A 76 5.281 6.797 5.126 1.00 60.42 H new ATOM 0 HG11 VAL A 76 4.208 5.961 7.183 1.00 34.41 H new ATOM 0 HG12 VAL A 76 3.812 7.667 6.867 1.00 34.41 H new ATOM 0 HG13 VAL A 76 2.615 6.397 6.520 1.00 34.41 H new ATOM 0 HG21 VAL A 76 4.636 4.407 5.327 1.00 51.53 H new ATOM 0 HG22 VAL A 76 3.074 4.776 4.558 1.00 51.53 H new ATOM 0 HG23 VAL A 76 4.586 4.969 3.639 1.00 51.53 H new ATOM 1157 N ASN A 77 4.652 9.568 4.594 1.00 52.24 N ATOM 1158 CA ASN A 77 4.777 10.970 5.027 1.00 43.11 C ATOM 1159 C ASN A 77 3.699 11.849 4.383 1.00 41.33 C ATOM 1160 O ASN A 77 3.020 12.622 5.055 1.00 55.05 O ATOM 1161 CB ASN A 77 6.157 11.519 4.644 1.00 44.41 C ATOM 1162 CG ASN A 77 6.423 12.898 5.233 1.00 51.45 C ATOM 1163 OD1 ASN A 77 5.907 13.248 6.291 1.00 34.51 O ATOM 1164 ND2 ASN A 77 7.232 13.691 4.561 1.00 64.02 N ATOM 0 H ASN A 77 5.517 9.165 4.234 1.00 52.24 H new ATOM 0 HA ASN A 77 4.652 10.993 6.110 1.00 43.11 H new ATOM 0 HB2 ASN A 77 6.927 10.827 4.986 1.00 44.41 H new ATOM 0 HB3 ASN A 77 6.235 11.571 3.558 1.00 44.41 H new ATOM 0 HD21 ASN A 77 7.444 14.623 4.917 1.00 64.02 H new ATOM 0 HD22 ASN A 77 7.646 13.373 3.685 1.00 64.02 H new ATOM 1171 N LEU A 78 3.564 11.713 3.071 1.00 51.24 N ATOM 1172 CA LEU A 78 2.605 12.490 2.280 1.00 31.03 C ATOM 1173 C LEU A 78 1.160 12.315 2.783 1.00 33.14 C ATOM 1174 O LEU A 78 0.393 13.279 2.844 1.00 62.01 O ATOM 1175 CB LEU A 78 2.736 12.072 0.811 1.00 62.03 C ATOM 1176 CG LEU A 78 4.101 12.402 0.183 1.00 3.31 C ATOM 1177 CD1 LEU A 78 4.326 11.599 -1.090 1.00 50.41 C ATOM 1178 CD2 LEU A 78 4.226 13.900 -0.089 1.00 63.34 C ATOM 0 H LEU A 78 4.117 11.059 2.518 1.00 51.24 H new ATOM 0 HA LEU A 78 2.835 13.550 2.387 1.00 31.03 H new ATOM 0 HB2 LEU A 78 2.562 10.999 0.733 1.00 62.03 H new ATOM 0 HB3 LEU A 78 1.954 12.564 0.233 1.00 62.03 H new ATOM 0 HG LEU A 78 4.875 12.121 0.897 1.00 3.31 H new ATOM 0 HD11 LEU A 78 5.298 11.852 -1.513 1.00 50.41 H new ATOM 0 HD12 LEU A 78 4.297 10.534 -0.858 1.00 50.41 H new ATOM 0 HD13 LEU A 78 3.544 11.835 -1.812 1.00 50.41 H new ATOM 0 HD21 LEU A 78 5.199 14.109 -0.533 1.00 63.34 H new ATOM 0 HD22 LEU A 78 3.439 14.212 -0.776 1.00 63.34 H new ATOM 0 HD23 LEU A 78 4.129 14.449 0.848 1.00 63.34 H new ATOM 1190 N LEU A 79 0.797 11.092 3.161 1.00 44.02 N ATOM 1191 CA LEU A 79 -0.533 10.828 3.723 1.00 13.34 C ATOM 1192 C LEU A 79 -0.711 11.486 5.097 1.00 50.43 C ATOM 1193 O LEU A 79 -1.740 12.114 5.361 1.00 15.41 O ATOM 1194 CB LEU A 79 -0.796 9.322 3.817 1.00 11.23 C ATOM 1195 CG LEU A 79 -1.075 8.626 2.478 1.00 0.30 C ATOM 1196 CD1 LEU A 79 -1.252 7.123 2.673 1.00 40.22 C ATOM 1197 CD2 LEU A 79 -2.305 9.230 1.805 1.00 34.22 C ATOM 0 H LEU A 79 1.398 10.271 3.091 1.00 44.02 H new ATOM 0 HA LEU A 79 -1.263 11.270 3.045 1.00 13.34 H new ATOM 0 HB2 LEU A 79 0.067 8.846 4.283 1.00 11.23 H new ATOM 0 HB3 LEU A 79 -1.647 9.158 4.478 1.00 11.23 H new ATOM 0 HG LEU A 79 -0.215 8.784 1.828 1.00 0.30 H new ATOM 0 HD11 LEU A 79 -1.449 6.652 1.710 1.00 40.22 H new ATOM 0 HD12 LEU A 79 -0.343 6.703 3.104 1.00 40.22 H new ATOM 0 HD13 LEU A 79 -2.091 6.940 3.345 1.00 40.22 H new ATOM 0 HD21 LEU A 79 -2.487 8.723 0.857 1.00 34.22 H new ATOM 0 HD22 LEU A 79 -3.172 9.107 2.454 1.00 34.22 H new ATOM 0 HD23 LEU A 79 -2.136 10.291 1.623 1.00 34.22 H new ATOM 1209 N ARG A 80 0.285 11.360 5.975 1.00 21.13 N ATOM 1210 CA ARG A 80 0.212 12.018 7.290 1.00 72.10 C ATOM 1211 C ARG A 80 0.200 13.537 7.106 1.00 21.52 C ATOM 1212 O ARG A 80 -0.413 14.270 7.882 1.00 64.22 O ATOM 1213 CB ARG A 80 1.379 11.608 8.206 1.00 13.51 C ATOM 1214 CG ARG A 80 2.020 10.281 7.832 1.00 44.11 C ATOM 1215 CD ARG A 80 2.623 9.561 9.033 1.00 63.31 C ATOM 1216 NE ARG A 80 1.585 9.094 9.951 1.00 73.14 N ATOM 1217 CZ ARG A 80 1.369 7.840 10.248 1.00 4.24 C ATOM 1218 NH1 ARG A 80 2.147 6.906 9.804 1.00 23.53 N ATOM 1219 NH2 ARG A 80 0.383 7.520 11.017 1.00 43.14 N ATOM 0 H ARG A 80 1.136 10.822 5.810 1.00 21.13 H new ATOM 0 HA ARG A 80 -0.711 11.696 7.773 1.00 72.10 H new ATOM 0 HB2 ARG A 80 2.140 12.388 8.179 1.00 13.51 H new ATOM 0 HB3 ARG A 80 1.018 11.549 9.233 1.00 13.51 H new ATOM 0 HG2 ARG A 80 1.272 9.639 7.366 1.00 44.11 H new ATOM 0 HG3 ARG A 80 2.798 10.455 7.089 1.00 44.11 H new ATOM 0 HD2 ARG A 80 3.216 8.713 8.691 1.00 63.31 H new ATOM 0 HD3 ARG A 80 3.301 10.233 9.559 1.00 63.31 H new ATOM 0 HE ARG A 80 0.988 9.795 10.390 1.00 73.14 H new ATOM 0 HH11 ARG A 80 2.943 7.144 9.213 1.00 23.53 H new ATOM 0 HH12 ARG A 80 1.964 5.932 10.046 1.00 23.53 H new ATOM 0 HH21 ARG A 80 -0.227 8.246 11.393 1.00 43.14 H new ATOM 0 HH22 ARG A 80 0.214 6.541 11.249 1.00 43.14 H new ATOM 1233 N SER A 81 0.881 13.999 6.059 1.00 20.44 N ATOM 1234 CA SER A 81 0.849 15.412 5.671 1.00 32.14 C ATOM 1235 C SER A 81 -0.575 15.845 5.284 1.00 4.31 C ATOM 1236 O SER A 81 -0.967 16.994 5.499 1.00 41.43 O ATOM 1237 CB SER A 81 1.807 15.680 4.500 1.00 34.45 C ATOM 1238 OG SER A 81 1.756 17.041 4.088 1.00 4.43 O ATOM 0 H SER A 81 1.465 13.414 5.461 1.00 20.44 H new ATOM 0 HA SER A 81 1.172 15.996 6.533 1.00 32.14 H new ATOM 0 HB2 SER A 81 2.825 15.426 4.795 1.00 34.45 H new ATOM 0 HB3 SER A 81 1.548 15.034 3.661 1.00 34.45 H new ATOM 0 HG SER A 81 2.377 17.181 3.343 1.00 4.43 H new ATOM 1244 N ALA A 82 -1.341 14.916 4.707 1.00 53.54 N ATOM 1245 CA ALA A 82 -2.751 15.159 4.371 1.00 0.11 C ATOM 1246 C ALA A 82 -3.664 14.947 5.594 1.00 1.10 C ATOM 1247 O ALA A 82 -4.870 15.187 5.530 1.00 52.11 O ATOM 1248 CB ALA A 82 -3.185 14.251 3.217 1.00 62.41 C ATOM 0 H ALA A 82 -1.009 13.984 4.461 1.00 53.54 H new ATOM 0 HA ALA A 82 -2.848 16.199 4.059 1.00 0.11 H new ATOM 0 HB1 ALA A 82 -4.231 14.441 2.978 1.00 62.41 H new ATOM 0 HB2 ALA A 82 -2.570 14.457 2.341 1.00 62.41 H new ATOM 0 HB3 ALA A 82 -3.063 13.208 3.509 1.00 62.41 H new ATOM 1254 N GLY A 83 -3.081 14.486 6.702 1.00 32.45 N ATOM 1255 CA GLY A 83 -3.831 14.309 7.946 1.00 20.45 C ATOM 1256 C GLY A 83 -4.247 12.865 8.227 1.00 64.40 C ATOM 1257 O GLY A 83 -4.899 12.592 9.236 1.00 61.33 O ATOM 0 H GLY A 83 -2.096 14.229 6.763 1.00 32.45 H new ATOM 0 HA2 GLY A 83 -3.224 14.669 8.777 1.00 20.45 H new ATOM 0 HA3 GLY A 83 -4.725 14.932 7.910 1.00 20.45 H new ATOM 1261 N PHE A 84 -3.874 11.935 7.352 1.00 15.12 N ATOM 1262 CA PHE A 84 -4.238 10.522 7.531 1.00 45.51 C ATOM 1263 C PHE A 84 -3.593 9.923 8.793 1.00 23.20 C ATOM 1264 O PHE A 84 -2.373 9.765 8.874 1.00 11.44 O ATOM 1265 CB PHE A 84 -3.850 9.702 6.295 1.00 33.22 C ATOM 1266 CG PHE A 84 -4.706 9.983 5.085 1.00 30.33 C ATOM 1267 CD1 PHE A 84 -4.405 11.025 4.224 1.00 74.21 C ATOM 1268 CD2 PHE A 84 -5.815 9.197 4.808 1.00 1.35 C ATOM 1269 CE1 PHE A 84 -5.189 11.279 3.117 1.00 61.21 C ATOM 1270 CE2 PHE A 84 -6.603 9.448 3.702 1.00 44.10 C ATOM 1271 CZ PHE A 84 -6.292 10.489 2.856 1.00 40.23 C ATOM 0 H PHE A 84 -3.323 12.127 6.515 1.00 15.12 H new ATOM 0 HA PHE A 84 -5.320 10.478 7.658 1.00 45.51 H new ATOM 0 HB2 PHE A 84 -2.808 9.906 6.047 1.00 33.22 H new ATOM 0 HB3 PHE A 84 -3.918 8.642 6.538 1.00 33.22 H new ATOM 0 HD1 PHE A 84 -3.545 11.647 4.422 1.00 74.21 H new ATOM 0 HD2 PHE A 84 -6.065 8.378 5.466 1.00 1.35 H new ATOM 0 HE1 PHE A 84 -4.940 12.095 2.455 1.00 61.21 H new ATOM 0 HE2 PHE A 84 -7.464 8.827 3.500 1.00 44.10 H new ATOM 0 HZ PHE A 84 -6.908 10.687 1.991 1.00 40.23 H new ATOM 1281 N GLU A 85 -4.436 9.595 9.772 1.00 22.10 N ATOM 1282 CA GLU A 85 -3.987 9.068 11.065 1.00 40.44 C ATOM 1283 C GLU A 85 -3.433 7.639 10.951 1.00 23.13 C ATOM 1284 O GLU A 85 -2.296 7.364 11.338 1.00 40.02 O ATOM 1285 CB GLU A 85 -5.158 9.088 12.061 1.00 74.44 C ATOM 1286 CG GLU A 85 -5.677 10.489 12.368 1.00 75.44 C ATOM 1287 CD GLU A 85 -6.927 10.482 13.233 1.00 72.21 C ATOM 1288 OE1 GLU A 85 -6.833 10.104 14.420 1.00 61.13 O ATOM 1289 OE2 GLU A 85 -8.012 10.852 12.730 1.00 33.12 O ATOM 0 H GLU A 85 -5.449 9.686 9.693 1.00 22.10 H new ATOM 0 HA GLU A 85 -3.177 9.706 11.418 1.00 40.44 H new ATOM 0 HB2 GLU A 85 -5.975 8.487 11.660 1.00 74.44 H new ATOM 0 HB3 GLU A 85 -4.841 8.616 12.991 1.00 74.44 H new ATOM 0 HG2 GLU A 85 -4.896 11.058 12.872 1.00 75.44 H new ATOM 0 HG3 GLU A 85 -5.892 11.004 11.432 1.00 75.44 H new ATOM 1296 N HIS A 86 -4.246 6.734 10.416 1.00 32.00 N ATOM 1297 CA HIS A 86 -3.885 5.314 10.354 1.00 4.13 C ATOM 1298 C HIS A 86 -3.187 4.960 9.034 1.00 2.04 C ATOM 1299 O HIS A 86 -3.815 4.460 8.100 1.00 24.22 O ATOM 1300 CB HIS A 86 -5.135 4.446 10.554 1.00 51.14 C ATOM 1301 CG HIS A 86 -5.781 4.634 11.894 1.00 4.03 C ATOM 1302 ND1 HIS A 86 -5.836 3.646 12.852 1.00 62.04 N ATOM 1303 CD2 HIS A 86 -6.391 5.712 12.441 1.00 53.22 C ATOM 1304 CE1 HIS A 86 -6.447 4.108 13.925 1.00 61.22 C ATOM 1305 NE2 HIS A 86 -6.794 5.358 13.703 1.00 42.13 N ATOM 0 H HIS A 86 -5.159 6.954 10.018 1.00 32.00 H new ATOM 0 HA HIS A 86 -3.177 5.113 11.158 1.00 4.13 H new ATOM 0 HB2 HIS A 86 -5.859 4.679 9.774 1.00 51.14 H new ATOM 0 HB3 HIS A 86 -4.863 3.397 10.434 1.00 51.14 H new ATOM 0 HD1 HIS A 86 -5.462 2.703 12.747 1.00 62.04 H new ATOM 0 HD2 HIS A 86 -6.534 6.673 11.970 1.00 53.22 H new ATOM 0 HE1 HIS A 86 -6.632 3.554 14.833 1.00 61.22 H new ATOM 1314 N VAL A 87 -1.886 5.237 8.962 1.00 72.21 N ATOM 1315 CA VAL A 87 -1.084 4.925 7.771 1.00 52.24 C ATOM 1316 C VAL A 87 0.161 4.106 8.140 1.00 12.35 C ATOM 1317 O VAL A 87 1.009 4.554 8.916 1.00 12.24 O ATOM 1318 CB VAL A 87 -0.638 6.212 7.030 1.00 22.32 C ATOM 1319 CG1 VAL A 87 0.188 5.874 5.786 1.00 64.15 C ATOM 1320 CG2 VAL A 87 -1.846 7.064 6.660 1.00 53.15 C ATOM 0 H VAL A 87 -1.359 5.679 9.716 1.00 72.21 H new ATOM 0 HA VAL A 87 -1.722 4.338 7.110 1.00 52.24 H new ATOM 0 HB VAL A 87 -0.005 6.787 7.706 1.00 22.32 H new ATOM 0 HG11 VAL A 87 0.487 6.795 5.286 1.00 64.15 H new ATOM 0 HG12 VAL A 87 1.077 5.316 6.080 1.00 64.15 H new ATOM 0 HG13 VAL A 87 -0.411 5.270 5.105 1.00 64.15 H new ATOM 0 HG21 VAL A 87 -1.512 7.962 6.141 1.00 53.15 H new ATOM 0 HG22 VAL A 87 -2.508 6.493 6.009 1.00 53.15 H new ATOM 0 HG23 VAL A 87 -2.383 7.346 7.565 1.00 53.15 H new ATOM 1330 N SER A 88 0.264 2.907 7.579 1.00 30.50 N ATOM 1331 CA SER A 88 1.401 2.016 7.852 1.00 32.33 C ATOM 1332 C SER A 88 2.029 1.491 6.557 1.00 71.13 C ATOM 1333 O SER A 88 1.321 1.100 5.630 1.00 14.52 O ATOM 1334 CB SER A 88 0.949 0.839 8.727 1.00 30.14 C ATOM 1335 OG SER A 88 1.933 -0.179 8.778 1.00 25.42 O ATOM 0 H SER A 88 -0.423 2.523 6.931 1.00 30.50 H new ATOM 0 HA SER A 88 2.157 2.595 8.382 1.00 32.33 H new ATOM 0 HB2 SER A 88 0.739 1.194 9.736 1.00 30.14 H new ATOM 0 HB3 SER A 88 0.019 0.428 8.334 1.00 30.14 H new ATOM 0 HG SER A 88 1.987 -0.536 9.689 1.00 25.42 H new ATOM 1341 N GLU A 89 3.359 1.485 6.499 1.00 62.12 N ATOM 1342 CA GLU A 89 4.082 0.979 5.327 1.00 11.15 C ATOM 1343 C GLU A 89 4.288 -0.542 5.418 1.00 32.05 C ATOM 1344 O GLU A 89 4.481 -1.096 6.501 1.00 42.11 O ATOM 1345 CB GLU A 89 5.438 1.686 5.179 1.00 52.52 C ATOM 1346 CG GLU A 89 6.353 1.518 6.385 1.00 22.40 C ATOM 1347 CD GLU A 89 7.721 2.154 6.194 1.00 55.51 C ATOM 1348 OE1 GLU A 89 8.548 1.580 5.456 1.00 71.03 O ATOM 1349 OE2 GLU A 89 7.977 3.226 6.784 1.00 74.11 O ATOM 0 H GLU A 89 3.961 1.824 7.249 1.00 62.12 H new ATOM 0 HA GLU A 89 3.476 1.192 4.446 1.00 11.15 H new ATOM 0 HB2 GLU A 89 5.944 1.300 4.294 1.00 52.52 H new ATOM 0 HB3 GLU A 89 5.267 2.749 5.010 1.00 52.52 H new ATOM 0 HG2 GLU A 89 5.874 1.958 7.260 1.00 22.40 H new ATOM 0 HG3 GLU A 89 6.479 0.455 6.591 1.00 22.40 H new ATOM 1356 N LEU A 90 4.250 -1.210 4.271 1.00 35.42 N ATOM 1357 CA LEU A 90 4.355 -2.671 4.222 1.00 54.41 C ATOM 1358 C LEU A 90 5.818 -3.147 4.329 1.00 14.35 C ATOM 1359 O LEU A 90 6.666 -2.769 3.517 1.00 45.33 O ATOM 1360 CB LEU A 90 3.730 -3.192 2.919 1.00 43.40 C ATOM 1361 CG LEU A 90 3.466 -4.705 2.878 1.00 25.41 C ATOM 1362 CD1 LEU A 90 2.459 -5.091 3.957 1.00 3.32 C ATOM 1363 CD2 LEU A 90 2.978 -5.136 1.493 1.00 74.50 C ATOM 0 H LEU A 90 4.147 -0.766 3.359 1.00 35.42 H new ATOM 0 HA LEU A 90 3.814 -3.072 5.079 1.00 54.41 H new ATOM 0 HB2 LEU A 90 2.787 -2.670 2.753 1.00 43.40 H new ATOM 0 HB3 LEU A 90 4.388 -2.932 2.090 1.00 43.40 H new ATOM 0 HG LEU A 90 4.402 -5.227 3.076 1.00 25.41 H new ATOM 0 HD11 LEU A 90 2.279 -6.165 3.919 1.00 3.32 H new ATOM 0 HD12 LEU A 90 2.855 -4.824 4.937 1.00 3.32 H new ATOM 0 HD13 LEU A 90 1.522 -4.560 3.787 1.00 3.32 H new ATOM 0 HD21 LEU A 90 2.798 -6.211 1.489 1.00 74.50 H new ATOM 0 HD22 LEU A 90 2.052 -4.612 1.254 1.00 74.50 H new ATOM 0 HD23 LEU A 90 3.736 -4.892 0.748 1.00 74.50 H new ATOM 1375 N LYS A 91 6.102 -3.984 5.331 1.00 24.23 N ATOM 1376 CA LYS A 91 7.442 -4.563 5.506 1.00 61.44 C ATOM 1377 C LYS A 91 7.734 -5.627 4.434 1.00 55.44 C ATOM 1378 O LYS A 91 6.965 -6.573 4.262 1.00 43.05 O ATOM 1379 CB LYS A 91 7.584 -5.192 6.900 1.00 53.14 C ATOM 1380 CG LYS A 91 7.465 -4.209 8.051 1.00 10.11 C ATOM 1381 CD LYS A 91 7.718 -4.898 9.391 1.00 73.03 C ATOM 1382 CE LYS A 91 7.808 -3.895 10.523 1.00 32.43 C ATOM 1383 NZ LYS A 91 8.104 -4.529 11.834 1.00 3.34 N ATOM 0 H LYS A 91 5.424 -4.277 6.034 1.00 24.23 H new ATOM 0 HA LYS A 91 8.163 -3.752 5.401 1.00 61.44 H new ATOM 0 HB2 LYS A 91 6.821 -5.962 7.016 1.00 53.14 H new ATOM 0 HB3 LYS A 91 8.552 -5.690 6.963 1.00 53.14 H new ATOM 0 HG2 LYS A 91 8.180 -3.397 7.915 1.00 10.11 H new ATOM 0 HG3 LYS A 91 6.471 -3.762 8.050 1.00 10.11 H new ATOM 0 HD2 LYS A 91 6.915 -5.607 9.594 1.00 73.03 H new ATOM 0 HD3 LYS A 91 8.643 -5.472 9.337 1.00 73.03 H new ATOM 0 HE2 LYS A 91 8.585 -3.165 10.294 1.00 32.43 H new ATOM 0 HE3 LYS A 91 6.868 -3.348 10.593 1.00 32.43 H new ATOM 0 HZ1 LYS A 91 8.154 -3.796 12.570 1.00 3.34 H new ATOM 0 HZ2 LYS A 91 7.351 -5.206 12.070 1.00 3.34 H new ATOM 0 HZ3 LYS A 91 9.015 -5.029 11.780 1.00 3.34 H new ATOM 1397 N GLY A 92 8.847 -5.464 3.719 1.00 33.22 N ATOM 1398 CA GLY A 92 9.234 -6.421 2.683 1.00 72.11 C ATOM 1399 C GLY A 92 8.621 -6.127 1.312 1.00 24.54 C ATOM 1400 O GLY A 92 9.000 -6.741 0.311 1.00 52.21 O ATOM 0 H GLY A 92 9.493 -4.683 3.837 1.00 33.22 H new ATOM 0 HA2 GLY A 92 10.320 -6.425 2.592 1.00 72.11 H new ATOM 0 HA3 GLY A 92 8.937 -7.422 2.997 1.00 72.11 H new ATOM 1404 N GLY A 93 7.664 -5.201 1.267 1.00 15.33 N ATOM 1405 CA GLY A 93 7.047 -4.806 0.001 1.00 63.15 C ATOM 1406 C GLY A 93 6.279 -5.933 -0.699 1.00 70.23 C ATOM 1407 O GLY A 93 5.816 -6.884 -0.062 1.00 23.23 O ATOM 0 H GLY A 93 7.301 -4.713 2.086 1.00 15.33 H new ATOM 0 HA2 GLY A 93 6.365 -3.976 0.185 1.00 63.15 H new ATOM 0 HA3 GLY A 93 7.823 -4.438 -0.670 1.00 63.15 H new ATOM 1411 N LEU A 94 6.157 -5.823 -2.023 1.00 62.14 N ATOM 1412 CA LEU A 94 5.424 -6.806 -2.826 1.00 41.10 C ATOM 1413 C LEU A 94 6.122 -8.174 -2.816 1.00 55.23 C ATOM 1414 O LEU A 94 5.470 -9.219 -2.831 1.00 63.12 O ATOM 1415 CB LEU A 94 5.280 -6.301 -4.271 1.00 62.42 C ATOM 1416 CG LEU A 94 4.507 -7.231 -5.222 1.00 22.11 C ATOM 1417 CD1 LEU A 94 3.065 -7.419 -4.752 1.00 55.13 C ATOM 1418 CD2 LEU A 94 4.547 -6.695 -6.653 1.00 61.03 C ATOM 0 H LEU A 94 6.559 -5.058 -2.565 1.00 62.14 H new ATOM 0 HA LEU A 94 4.436 -6.930 -2.383 1.00 41.10 H new ATOM 0 HB2 LEU A 94 4.780 -5.333 -4.251 1.00 62.42 H new ATOM 0 HB3 LEU A 94 6.276 -6.137 -4.681 1.00 62.42 H new ATOM 0 HG LEU A 94 4.993 -8.206 -5.210 1.00 22.11 H new ATOM 0 HD11 LEU A 94 2.541 -8.081 -5.442 1.00 55.13 H new ATOM 0 HD12 LEU A 94 3.062 -7.859 -3.755 1.00 55.13 H new ATOM 0 HD13 LEU A 94 2.562 -6.452 -4.724 1.00 55.13 H new ATOM 0 HD21 LEU A 94 3.994 -7.368 -7.309 1.00 61.03 H new ATOM 0 HD22 LEU A 94 4.093 -5.704 -6.683 1.00 61.03 H new ATOM 0 HD23 LEU A 94 5.582 -6.630 -6.988 1.00 61.03 H new ATOM 1430 N ALA A 95 7.452 -8.161 -2.786 1.00 34.11 N ATOM 1431 CA ALA A 95 8.241 -9.399 -2.761 1.00 22.22 C ATOM 1432 C ALA A 95 7.886 -10.270 -1.546 1.00 34.52 C ATOM 1433 O ALA A 95 7.751 -11.488 -1.662 1.00 54.25 O ATOM 1434 CB ALA A 95 9.731 -9.076 -2.767 1.00 61.15 C ATOM 0 H ALA A 95 8.011 -7.308 -2.778 1.00 34.11 H new ATOM 0 HA ALA A 95 7.998 -9.968 -3.658 1.00 22.22 H new ATOM 0 HB1 ALA A 95 10.304 -10.003 -2.748 1.00 61.15 H new ATOM 0 HB2 ALA A 95 9.978 -8.515 -3.668 1.00 61.15 H new ATOM 0 HB3 ALA A 95 9.977 -8.479 -1.889 1.00 61.15 H new ATOM 1440 N ALA A 96 7.733 -9.637 -0.382 1.00 22.23 N ATOM 1441 CA ALA A 96 7.308 -10.348 0.831 1.00 50.22 C ATOM 1442 C ALA A 96 5.884 -10.897 0.676 1.00 4.50 C ATOM 1443 O ALA A 96 5.609 -12.048 1.024 1.00 4.22 O ATOM 1444 CB ALA A 96 7.396 -9.433 2.046 1.00 75.03 C ATOM 0 H ALA A 96 7.895 -8.639 -0.251 1.00 22.23 H new ATOM 0 HA ALA A 96 7.982 -11.191 0.981 1.00 50.22 H new ATOM 0 HB1 ALA A 96 7.077 -9.977 2.935 1.00 75.03 H new ATOM 0 HB2 ALA A 96 8.425 -9.098 2.175 1.00 75.03 H new ATOM 0 HB3 ALA A 96 6.749 -8.569 1.898 1.00 75.03 H new ATOM 1450 N TRP A 97 4.980 -10.062 0.149 1.00 23.33 N ATOM 1451 CA TRP A 97 3.606 -10.489 -0.160 1.00 35.34 C ATOM 1452 C TRP A 97 3.604 -11.750 -1.042 1.00 33.41 C ATOM 1453 O TRP A 97 2.842 -12.689 -0.813 1.00 52.30 O ATOM 1454 CB TRP A 97 2.845 -9.353 -0.869 1.00 71.31 C ATOM 1455 CG TRP A 97 1.419 -9.700 -1.187 1.00 23.11 C ATOM 1456 CD1 TRP A 97 0.920 -10.156 -2.375 1.00 70.11 C ATOM 1457 CD2 TRP A 97 0.307 -9.616 -0.292 1.00 72.45 C ATOM 1458 NE1 TRP A 97 -0.433 -10.371 -2.267 1.00 63.52 N ATOM 1459 CE2 TRP A 97 -0.832 -10.046 -0.997 1.00 2.15 C ATOM 1460 CE3 TRP A 97 0.166 -9.223 1.042 1.00 4.44 C ATOM 1461 CZ2 TRP A 97 -2.094 -10.092 -0.412 1.00 40.21 C ATOM 1462 CZ3 TRP A 97 -1.086 -9.268 1.618 1.00 32.43 C ATOM 1463 CH2 TRP A 97 -2.200 -9.701 0.893 1.00 1.40 C ATOM 0 H TRP A 97 5.174 -9.086 -0.073 1.00 23.33 H new ATOM 0 HA TRP A 97 3.106 -10.726 0.779 1.00 35.34 H new ATOM 0 HB2 TRP A 97 2.863 -8.464 -0.238 1.00 71.31 H new ATOM 0 HB3 TRP A 97 3.364 -9.099 -1.793 1.00 71.31 H new ATOM 0 HD1 TRP A 97 1.504 -10.323 -3.268 1.00 70.11 H new ATOM 0 HE1 TRP A 97 -1.041 -10.716 -3.010 1.00 63.52 H new ATOM 0 HE3 TRP A 97 1.022 -8.890 1.611 1.00 4.44 H new ATOM 0 HZ2 TRP A 97 -2.958 -10.424 -0.969 1.00 40.21 H new ATOM 0 HZ3 TRP A 97 -1.208 -8.963 2.647 1.00 32.43 H new ATOM 0 HH2 TRP A 97 -3.166 -9.727 1.375 1.00 1.40 H new ATOM 1474 N LYS A 98 4.471 -11.761 -2.045 1.00 72.14 N ATOM 1475 CA LYS A 98 4.594 -12.899 -2.960 1.00 62.54 C ATOM 1476 C LYS A 98 5.247 -14.117 -2.280 1.00 61.13 C ATOM 1477 O LYS A 98 4.827 -15.256 -2.496 1.00 71.43 O ATOM 1478 CB LYS A 98 5.395 -12.481 -4.201 1.00 71.42 C ATOM 1479 CG LYS A 98 4.668 -11.470 -5.085 1.00 1.31 C ATOM 1480 CD LYS A 98 5.440 -11.158 -6.363 1.00 61.44 C ATOM 1481 CE LYS A 98 6.774 -10.477 -6.081 1.00 72.42 C ATOM 1482 NZ LYS A 98 7.554 -10.257 -7.326 1.00 55.41 N ATOM 0 H LYS A 98 5.107 -10.990 -2.251 1.00 72.14 H new ATOM 0 HA LYS A 98 3.590 -13.200 -3.260 1.00 62.54 H new ATOM 0 HB2 LYS A 98 6.346 -12.055 -3.883 1.00 71.42 H new ATOM 0 HB3 LYS A 98 5.625 -13.368 -4.791 1.00 71.42 H new ATOM 0 HG2 LYS A 98 3.683 -11.859 -5.344 1.00 1.31 H new ATOM 0 HG3 LYS A 98 4.510 -10.549 -4.525 1.00 1.31 H new ATOM 0 HD2 LYS A 98 5.616 -12.082 -6.914 1.00 61.44 H new ATOM 0 HD3 LYS A 98 4.835 -10.516 -7.003 1.00 61.44 H new ATOM 0 HE2 LYS A 98 6.597 -9.521 -5.589 1.00 72.42 H new ATOM 0 HE3 LYS A 98 7.356 -11.088 -5.391 1.00 72.42 H new ATOM 0 HZ1 LYS A 98 8.455 -9.792 -7.094 1.00 55.41 H new ATOM 0 HZ2 LYS A 98 7.744 -11.172 -7.783 1.00 55.41 H new ATOM 0 HZ3 LYS A 98 7.010 -9.653 -7.975 1.00 55.41 H new ATOM 1496 N ALA A 99 6.259 -13.869 -1.449 1.00 73.35 N ATOM 1497 CA ALA A 99 6.988 -14.942 -0.754 1.00 32.45 C ATOM 1498 C ALA A 99 6.073 -15.768 0.170 1.00 5.33 C ATOM 1499 O ALA A 99 6.217 -16.986 0.281 1.00 63.45 O ATOM 1500 CB ALA A 99 8.147 -14.350 0.039 1.00 32.33 C ATOM 0 H ALA A 99 6.598 -12.931 -1.237 1.00 73.35 H new ATOM 0 HA ALA A 99 7.373 -15.623 -1.513 1.00 32.45 H new ATOM 0 HB1 ALA A 99 8.683 -15.149 0.551 1.00 32.33 H new ATOM 0 HB2 ALA A 99 8.826 -13.834 -0.640 1.00 32.33 H new ATOM 0 HB3 ALA A 99 7.762 -13.643 0.773 1.00 32.33 H new ATOM 1506 N ILE A 100 5.130 -15.097 0.829 1.00 65.23 N ATOM 1507 CA ILE A 100 4.179 -15.767 1.732 1.00 2.45 C ATOM 1508 C ILE A 100 3.001 -16.407 0.966 1.00 44.41 C ATOM 1509 O ILE A 100 2.058 -16.921 1.575 1.00 3.14 O ATOM 1510 CB ILE A 100 3.625 -14.770 2.779 1.00 31.52 C ATOM 1511 CG1 ILE A 100 2.939 -13.595 2.066 1.00 74.54 C ATOM 1512 CG2 ILE A 100 4.746 -14.277 3.696 1.00 1.30 C ATOM 1513 CD1 ILE A 100 2.442 -12.510 2.991 1.00 11.33 C ATOM 0 H ILE A 100 4.999 -14.088 0.758 1.00 65.23 H new ATOM 0 HA ILE A 100 4.730 -16.562 2.235 1.00 2.45 H new ATOM 0 HB ILE A 100 2.887 -15.278 3.399 1.00 31.52 H new ATOM 0 HG12 ILE A 100 3.640 -13.157 1.356 1.00 74.54 H new ATOM 0 HG13 ILE A 100 2.097 -13.977 1.489 1.00 74.54 H new ATOM 0 HG21 ILE A 100 4.338 -13.577 4.425 1.00 1.30 H new ATOM 0 HG22 ILE A 100 5.190 -15.126 4.216 1.00 1.30 H new ATOM 0 HG23 ILE A 100 5.510 -13.776 3.101 1.00 1.30 H new ATOM 0 HD11 ILE A 100 1.972 -11.720 2.406 1.00 11.33 H new ATOM 0 HD12 ILE A 100 1.714 -12.929 3.686 1.00 11.33 H new ATOM 0 HD13 ILE A 100 3.281 -12.096 3.551 1.00 11.33 H new ATOM 1525 N GLY A 101 3.060 -16.365 -0.366 1.00 40.11 N ATOM 1526 CA GLY A 101 2.015 -16.965 -1.194 1.00 20.25 C ATOM 1527 C GLY A 101 0.856 -16.017 -1.500 1.00 74.10 C ATOM 1528 O GLY A 101 -0.236 -16.457 -1.870 1.00 45.12 O ATOM 0 H GLY A 101 3.816 -15.925 -0.891 1.00 40.11 H new ATOM 0 HA2 GLY A 101 2.455 -17.302 -2.133 1.00 20.25 H new ATOM 0 HA3 GLY A 101 1.626 -17.849 -0.689 1.00 20.25 H new ATOM 1532 N GLY A 102 1.092 -14.715 -1.349 1.00 70.51 N ATOM 1533 CA GLY A 102 0.049 -13.720 -1.584 1.00 4.24 C ATOM 1534 C GLY A 102 -0.399 -13.634 -3.044 1.00 3.21 C ATOM 1535 O GLY A 102 0.428 -13.683 -3.955 1.00 60.23 O ATOM 0 H GLY A 102 1.992 -14.326 -1.066 1.00 70.51 H new ATOM 0 HA2 GLY A 102 -0.814 -13.957 -0.961 1.00 4.24 H new ATOM 0 HA3 GLY A 102 0.413 -12.743 -1.266 1.00 4.24 H new ATOM 1539 N PRO A 103 -1.717 -13.506 -3.298 1.00 14.55 N ATOM 1540 CA PRO A 103 -2.251 -13.367 -4.663 1.00 44.43 C ATOM 1541 C PRO A 103 -1.955 -11.985 -5.270 1.00 54.44 C ATOM 1542 O PRO A 103 -2.194 -10.948 -4.637 1.00 23.14 O ATOM 1543 CB PRO A 103 -3.761 -13.566 -4.469 1.00 21.40 C ATOM 1544 CG PRO A 103 -4.018 -13.111 -3.072 1.00 43.44 C ATOM 1545 CD PRO A 103 -2.792 -13.495 -2.282 1.00 61.22 C ATOM 0 HA PRO A 103 -1.800 -14.077 -5.356 1.00 44.43 H new ATOM 0 HB2 PRO A 103 -4.335 -12.982 -5.189 1.00 21.40 H new ATOM 0 HB3 PRO A 103 -4.045 -14.609 -4.606 1.00 21.40 H new ATOM 0 HG2 PRO A 103 -4.185 -12.034 -3.036 1.00 43.44 H new ATOM 0 HG3 PRO A 103 -4.910 -13.586 -2.664 1.00 43.44 H new ATOM 0 HD2 PRO A 103 -2.586 -12.778 -1.487 1.00 61.22 H new ATOM 0 HD3 PRO A 103 -2.908 -14.470 -1.810 1.00 61.22 H new ATOM 1553 N THR A 104 -1.426 -11.964 -6.494 1.00 73.52 N ATOM 1554 CA THR A 104 -1.096 -10.700 -7.165 1.00 24.13 C ATOM 1555 C THR A 104 -1.765 -10.580 -8.540 1.00 40.34 C ATOM 1556 O THR A 104 -2.109 -11.577 -9.179 1.00 72.23 O ATOM 1557 CB THR A 104 0.432 -10.523 -7.355 1.00 41.54 C ATOM 1558 OG1 THR A 104 0.948 -11.536 -8.232 1.00 74.43 O ATOM 1559 CG2 THR A 104 1.167 -10.581 -6.020 1.00 0.21 C ATOM 0 H THR A 104 -1.217 -12.800 -7.040 1.00 73.52 H new ATOM 0 HA THR A 104 -1.476 -9.918 -6.507 1.00 24.13 H new ATOM 0 HB THR A 104 0.597 -9.541 -7.798 1.00 41.54 H new ATOM 0 HG1 THR A 104 1.913 -11.411 -8.344 1.00 74.43 H new ATOM 0 HG21 THR A 104 2.236 -10.454 -6.188 1.00 0.21 H new ATOM 0 HG22 THR A 104 0.804 -9.785 -5.370 1.00 0.21 H new ATOM 0 HG23 THR A 104 0.986 -11.546 -5.547 1.00 0.21 H new ATOM 1567 N GLU A 105 -1.955 -9.340 -8.971 1.00 10.13 N ATOM 1568 CA GLU A 105 -2.442 -9.022 -10.314 1.00 74.33 C ATOM 1569 C GLU A 105 -1.357 -8.300 -11.105 1.00 74.51 C ATOM 1570 O GLU A 105 -0.308 -7.950 -10.566 1.00 72.11 O ATOM 1571 CB GLU A 105 -3.666 -8.108 -10.252 1.00 52.53 C ATOM 1572 CG GLU A 105 -4.873 -8.704 -9.567 1.00 61.11 C ATOM 1573 CD GLU A 105 -6.016 -7.706 -9.486 1.00 30.20 C ATOM 1574 OE1 GLU A 105 -5.968 -6.807 -8.620 1.00 43.31 O ATOM 1575 OE2 GLU A 105 -6.942 -7.779 -10.319 1.00 73.12 O ATOM 0 H GLU A 105 -1.775 -8.517 -8.396 1.00 10.13 H new ATOM 0 HA GLU A 105 -2.710 -9.961 -10.797 1.00 74.33 H new ATOM 0 HB2 GLU A 105 -3.389 -7.190 -9.734 1.00 52.53 H new ATOM 0 HB3 GLU A 105 -3.944 -7.829 -11.268 1.00 52.53 H new ATOM 0 HG2 GLU A 105 -5.200 -9.590 -10.110 1.00 61.11 H new ATOM 0 HG3 GLU A 105 -4.600 -9.028 -8.563 1.00 61.11 H new ATOM 1582 N GLY A 106 -1.628 -8.044 -12.372 1.00 33.32 N ATOM 1583 CA GLY A 106 -0.680 -7.296 -13.185 1.00 54.15 C ATOM 1584 C GLY A 106 -0.800 -7.545 -14.679 1.00 3.42 C ATOM 1585 O GLY A 106 -1.542 -8.421 -15.126 1.00 52.01 O ATOM 0 H GLY A 106 -2.478 -8.335 -12.855 1.00 33.32 H new ATOM 0 HA2 GLY A 106 -0.817 -6.232 -12.994 1.00 54.15 H new ATOM 0 HA3 GLY A 106 0.331 -7.549 -12.867 1.00 54.15 H new ATOM 1589 N ILE A 107 -0.074 -6.748 -15.450 1.00 14.53 N ATOM 1590 CA ILE A 107 0.039 -6.941 -16.892 1.00 54.12 C ATOM 1591 C ILE A 107 1.242 -7.837 -17.215 1.00 44.14 C ATOM 1592 O ILE A 107 1.163 -8.716 -18.073 1.00 44.12 O ATOM 1593 CB ILE A 107 0.177 -5.589 -17.633 1.00 21.23 C ATOM 1594 CG1 ILE A 107 -1.027 -4.684 -17.312 1.00 3.24 C ATOM 1595 CG2 ILE A 107 0.307 -5.808 -19.140 1.00 14.25 C ATOM 1596 CD1 ILE A 107 -1.037 -3.374 -18.072 1.00 21.43 C ATOM 0 H ILE A 107 0.453 -5.950 -15.096 1.00 14.53 H new ATOM 0 HA ILE A 107 -0.875 -7.425 -17.235 1.00 54.12 H new ATOM 0 HB ILE A 107 1.084 -5.094 -17.288 1.00 21.23 H new ATOM 0 HG12 ILE A 107 -1.945 -5.227 -17.534 1.00 3.24 H new ATOM 0 HG13 ILE A 107 -1.033 -4.471 -16.243 1.00 3.24 H new ATOM 0 HG21 ILE A 107 0.403 -4.845 -19.641 1.00 14.25 H new ATOM 0 HG22 ILE A 107 1.190 -6.413 -19.345 1.00 14.25 H new ATOM 0 HG23 ILE A 107 -0.579 -6.323 -19.511 1.00 14.25 H new ATOM 0 HD11 ILE A 107 -1.917 -2.796 -17.789 1.00 21.43 H new ATOM 0 HD12 ILE A 107 -0.137 -2.807 -17.832 1.00 21.43 H new ATOM 0 HD13 ILE A 107 -1.064 -3.575 -19.143 1.00 21.43 H new ATOM 1608 N ILE A 108 2.364 -7.614 -16.522 1.00 12.12 N ATOM 1609 CA ILE A 108 3.532 -8.483 -16.679 1.00 15.12 C ATOM 1610 C ILE A 108 3.282 -9.858 -16.063 1.00 45.03 C ATOM 1611 O ILE A 108 3.824 -10.875 -16.504 1.00 14.52 O ATOM 1612 CB ILE A 108 4.796 -7.841 -16.063 1.00 54.34 C ATOM 1613 CG1 ILE A 108 4.776 -7.856 -14.519 1.00 34.11 C ATOM 1614 CG2 ILE A 108 4.939 -6.418 -16.576 1.00 53.32 C ATOM 1615 CD1 ILE A 108 5.500 -9.034 -13.889 1.00 65.25 C ATOM 0 H ILE A 108 2.486 -6.851 -15.857 1.00 12.12 H new ATOM 0 HA ILE A 108 3.701 -8.611 -17.748 1.00 15.12 H new ATOM 0 HB ILE A 108 5.655 -8.437 -16.371 1.00 54.34 H new ATOM 0 HG12 ILE A 108 5.225 -6.933 -14.154 1.00 34.11 H new ATOM 0 HG13 ILE A 108 3.739 -7.861 -14.182 1.00 34.11 H new ATOM 0 HG21 ILE A 108 5.830 -5.963 -16.143 1.00 53.32 H new ATOM 0 HG22 ILE A 108 5.029 -6.430 -17.662 1.00 53.32 H new ATOM 0 HG23 ILE A 108 4.061 -5.839 -16.291 1.00 53.32 H new ATOM 0 HD11 ILE A 108 5.435 -8.963 -12.803 1.00 65.25 H new ATOM 0 HD12 ILE A 108 5.038 -9.964 -14.220 1.00 65.25 H new ATOM 0 HD13 ILE A 108 6.547 -9.021 -14.191 1.00 65.25 H new