USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 880 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 38 SER OG : rot -25:sc= -1.25 USER MOD Set 1.2: A 93 ASN : amide:sc= -4.61! C(o=-5.9!,f=-14!) USER MOD Set 2.1: A 10 GLN : amide:sc=-0.00407 K(o=-0.0041,f=-1.2) USER MOD Set 2.2: A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 84:sc= 0.682 USER MOD Single : A 15 SER OG : rot 24:sc= 0.817 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 21:sc= 0.465 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.53 K(o=-1.5,f=-5.5!) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= 0.0225 (180deg=0.00709) USER MOD Single : A 50 LYS NZ :NH3+ -110:sc= -0.75 (180deg=-2.77!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.976 K(o=-0.98,f=-3.7!) USER MOD Single : A 63 GLN : amide:sc= -0.605 K(o=-0.6,f=-2.7!) USER MOD Single : A 64 SER OG : rot 170:sc= -0.538 USER MOD Single : A 65 ASN : amide:sc= -1.42 K(o=-1.4,f=-3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 0:sc= -2.39! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -4.29! C(o=-4.3!,f=-7.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -6.42! C(o=-6.4!,f=-7.2!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -161:sc= 0.00114 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0.695 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.816! K(o=-0.82!,f=-1.4) USER MOD Single : A 103 SER OG : rot 15:sc= 0.843 USER MOD Single : A 111 CYS SG : rot -56:sc= 0.0852 USER MOD Single : A 112 LYS NZ :NH3+ 155:sc= -0.286 (180deg=-0.847) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.763 -24.382 11.060 1.00 0.00 N ATOM 2 CA GLY A 1 -7.731 -25.458 11.167 1.00 0.00 C ATOM 3 C GLY A 1 -9.123 -25.028 10.749 1.00 0.00 C ATOM 4 O GLY A 1 -10.013 -24.885 11.587 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.827 -24.726 11.357 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.715 -24.055 10.074 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.052 -23.593 11.673 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.410 -26.294 10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.758 -25.817 12.196 1.00 0.00 H new ATOM 8 N SER A 2 -9.312 -24.821 9.450 1.00 0.00 N ATOM 9 CA SER A 2 -10.605 -24.400 8.923 1.00 0.00 C ATOM 10 C SER A 2 -11.001 -23.037 9.482 1.00 0.00 C ATOM 11 O SER A 2 -12.154 -22.816 9.852 1.00 0.00 O ATOM 12 CB SER A 2 -11.679 -25.435 9.263 1.00 0.00 C ATOM 13 OG SER A 2 -11.761 -26.433 8.260 1.00 0.00 O ATOM 0 H SER A 2 -8.586 -24.938 8.743 1.00 0.00 H new ATOM 0 HA SER A 2 -10.519 -24.318 7.839 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.451 -25.898 10.223 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.645 -24.941 9.368 1.00 0.00 H new ATOM 0 HG SER A 2 -12.453 -27.083 8.501 1.00 0.00 H new ATOM 19 N SER A 3 -10.036 -22.124 9.540 1.00 0.00 N ATOM 20 CA SER A 3 -10.282 -20.783 10.056 1.00 0.00 C ATOM 21 C SER A 3 -9.947 -19.727 9.007 1.00 0.00 C ATOM 22 O SER A 3 -8.846 -19.178 8.992 1.00 0.00 O ATOM 23 CB SER A 3 -9.455 -20.542 11.321 1.00 0.00 C ATOM 24 OG SER A 3 -9.912 -21.351 12.391 1.00 0.00 O ATOM 0 H SER A 3 -9.077 -22.289 9.236 1.00 0.00 H new ATOM 0 HA SER A 3 -11.341 -20.703 10.301 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.406 -20.758 11.120 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.515 -19.491 11.604 1.00 0.00 H new ATOM 0 HG SER A 3 -9.366 -21.180 13.187 1.00 0.00 H new ATOM 30 N GLY A 4 -10.907 -19.448 8.131 1.00 0.00 N ATOM 31 CA GLY A 4 -10.696 -18.459 7.090 1.00 0.00 C ATOM 32 C GLY A 4 -11.983 -18.075 6.386 1.00 0.00 C ATOM 33 O GLY A 4 -12.498 -18.832 5.564 1.00 0.00 O ATOM 0 H GLY A 4 -11.827 -19.889 8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.244 -17.568 7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.988 -18.850 6.359 1.00 0.00 H new ATOM 37 N SER A 5 -12.503 -16.896 6.710 1.00 0.00 N ATOM 38 CA SER A 5 -13.741 -16.415 6.106 1.00 0.00 C ATOM 39 C SER A 5 -13.621 -16.368 4.586 1.00 0.00 C ATOM 40 O SER A 5 -12.902 -15.535 4.034 1.00 0.00 O ATOM 41 CB SER A 5 -14.089 -15.026 6.645 1.00 0.00 C ATOM 42 OG SER A 5 -14.548 -15.099 7.984 1.00 0.00 O ATOM 0 H SER A 5 -12.087 -16.256 7.387 1.00 0.00 H new ATOM 0 HA SER A 5 -14.539 -17.110 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.211 -14.382 6.593 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.856 -14.571 6.019 1.00 0.00 H new ATOM 0 HG SER A 5 -14.762 -14.199 8.306 1.00 0.00 H new ATOM 48 N SER A 6 -14.332 -17.268 3.915 1.00 0.00 N ATOM 49 CA SER A 6 -14.304 -17.333 2.459 1.00 0.00 C ATOM 50 C SER A 6 -12.880 -17.168 1.935 1.00 0.00 C ATOM 51 O SER A 6 -12.669 -16.699 0.817 1.00 0.00 O ATOM 52 CB SER A 6 -15.208 -16.253 1.861 1.00 0.00 C ATOM 53 OG SER A 6 -16.568 -16.649 1.896 1.00 0.00 O ATOM 0 H SER A 6 -14.935 -17.962 4.357 1.00 0.00 H new ATOM 0 HA SER A 6 -14.673 -18.313 2.157 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.083 -15.322 2.414 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.910 -16.054 0.831 1.00 0.00 H new ATOM 0 HG SER A 6 -17.125 -15.941 1.510 1.00 0.00 H new ATOM 59 N GLY A 7 -11.907 -17.558 2.752 1.00 0.00 N ATOM 60 CA GLY A 7 -10.515 -17.446 2.355 1.00 0.00 C ATOM 61 C GLY A 7 -10.163 -16.055 1.865 1.00 0.00 C ATOM 62 O GLY A 7 -9.483 -15.901 0.849 1.00 0.00 O ATOM 0 H GLY A 7 -12.057 -17.950 3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.877 -17.702 3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.306 -18.169 1.567 1.00 0.00 H new ATOM 66 N LEU A 8 -10.627 -15.040 2.586 1.00 0.00 N ATOM 67 CA LEU A 8 -10.358 -13.655 2.217 1.00 0.00 C ATOM 68 C LEU A 8 -9.246 -13.068 3.081 1.00 0.00 C ATOM 69 O LEU A 8 -9.131 -13.360 4.271 1.00 0.00 O ATOM 70 CB LEU A 8 -11.628 -12.813 2.360 1.00 0.00 C ATOM 71 CG LEU A 8 -12.763 -13.141 1.389 1.00 0.00 C ATOM 72 CD1 LEU A 8 -13.993 -12.305 1.705 1.00 0.00 C ATOM 73 CD2 LEU A 8 -12.317 -12.915 -0.048 1.00 0.00 C ATOM 0 H LEU A 8 -11.191 -15.150 3.429 1.00 0.00 H new ATOM 0 HA LEU A 8 -10.033 -13.638 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.003 -12.927 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.361 -11.764 2.234 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.024 -14.193 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.790 -12.552 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.325 -12.516 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.746 -11.247 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.137 -13.153 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.029 -11.872 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.465 -13.558 -0.270 1.00 0.00 H new ATOM 85 N PRO A 9 -8.407 -12.218 2.469 1.00 0.00 N ATOM 86 CA PRO A 9 -7.291 -11.570 3.163 1.00 0.00 C ATOM 87 C PRO A 9 -7.762 -10.531 4.174 1.00 0.00 C ATOM 88 O PRO A 9 -8.544 -9.640 3.843 1.00 0.00 O ATOM 89 CB PRO A 9 -6.510 -10.899 2.030 1.00 0.00 C ATOM 90 CG PRO A 9 -7.518 -10.678 0.955 1.00 0.00 C ATOM 91 CD PRO A 9 -8.485 -11.825 1.052 1.00 0.00 C ATOM 0 HA PRO A 9 -6.702 -12.282 3.741 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.067 -9.958 2.357 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.693 -11.532 1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.029 -9.725 1.089 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.043 -10.650 -0.026 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.495 -11.524 0.774 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.203 -12.645 0.391 1.00 0.00 H new ATOM 99 N GLN A 10 -7.281 -10.651 5.407 1.00 0.00 N ATOM 100 CA GLN A 10 -7.654 -9.720 6.466 1.00 0.00 C ATOM 101 C GLN A 10 -6.484 -8.812 6.830 1.00 0.00 C ATOM 102 O GLN A 10 -5.322 -9.185 6.671 1.00 0.00 O ATOM 103 CB GLN A 10 -8.124 -10.486 7.704 1.00 0.00 C ATOM 104 CG GLN A 10 -8.977 -9.653 8.647 1.00 0.00 C ATOM 105 CD GLN A 10 -9.281 -10.370 9.947 1.00 0.00 C ATOM 106 OE1 GLN A 10 -8.568 -11.293 10.342 1.00 0.00 O ATOM 107 NE2 GLN A 10 -10.344 -9.949 10.622 1.00 0.00 N ATOM 0 H GLN A 10 -6.633 -11.383 5.697 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.471 -9.099 6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.695 -11.359 7.386 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.253 -10.855 8.245 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.463 -8.717 8.865 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.913 -9.395 8.152 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.908 -9.181 10.258 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.597 -10.394 11.504 1.00 0.00 H new ATOM 116 N VAL A 11 -6.799 -7.616 7.318 1.00 0.00 N ATOM 117 CA VAL A 11 -5.774 -6.654 7.705 1.00 0.00 C ATOM 118 C VAL A 11 -6.042 -6.096 9.098 1.00 0.00 C ATOM 119 O VAL A 11 -6.756 -5.106 9.254 1.00 0.00 O ATOM 120 CB VAL A 11 -5.694 -5.487 6.703 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.651 -4.473 7.148 1.00 0.00 C ATOM 122 CG2 VAL A 11 -5.385 -6.004 5.306 1.00 0.00 C ATOM 0 H VAL A 11 -7.756 -7.290 7.455 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.823 -7.187 7.707 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.663 -4.988 6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.608 -3.655 6.428 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.921 -4.080 8.128 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.676 -4.956 7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.332 -5.166 4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.429 -6.528 5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.172 -6.689 4.989 1.00 0.00 H new ATOM 132 N GLU A 12 -5.464 -6.739 10.108 1.00 0.00 N ATOM 133 CA GLU A 12 -5.642 -6.306 11.489 1.00 0.00 C ATOM 134 C GLU A 12 -5.135 -4.880 11.682 1.00 0.00 C ATOM 135 O GLU A 12 -5.907 -3.971 11.985 1.00 0.00 O ATOM 136 CB GLU A 12 -4.908 -7.253 12.442 1.00 0.00 C ATOM 137 CG GLU A 12 -5.518 -7.310 13.832 1.00 0.00 C ATOM 138 CD GLU A 12 -5.182 -8.595 14.564 1.00 0.00 C ATOM 139 OE1 GLU A 12 -4.097 -9.157 14.310 1.00 0.00 O ATOM 140 OE2 GLU A 12 -6.006 -9.038 15.392 1.00 0.00 O ATOM 0 H GLU A 12 -4.869 -7.560 9.996 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.708 -6.328 11.715 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.905 -8.255 12.014 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.868 -6.938 12.524 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.163 -6.460 14.416 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.601 -7.213 13.754 1.00 0.00 H new ATOM 147 N ALA A 13 -3.831 -4.693 11.504 1.00 0.00 N ATOM 148 CA ALA A 13 -3.220 -3.378 11.657 1.00 0.00 C ATOM 149 C ALA A 13 -2.039 -3.208 10.707 1.00 0.00 C ATOM 150 O ALA A 13 -1.669 -4.136 9.988 1.00 0.00 O ATOM 151 CB ALA A 13 -2.778 -3.165 13.097 1.00 0.00 C ATOM 0 H ALA A 13 -3.178 -5.435 11.254 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.967 -2.626 11.404 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.324 -2.179 13.196 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.643 -3.234 13.757 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.050 -3.929 13.371 1.00 0.00 H new ATOM 157 N TYR A 14 -1.451 -2.016 10.710 1.00 0.00 N ATOM 158 CA TYR A 14 -0.314 -1.724 9.846 1.00 0.00 C ATOM 159 C TYR A 14 0.571 -0.642 10.458 1.00 0.00 C ATOM 160 O TYR A 14 0.105 0.188 11.239 1.00 0.00 O ATOM 161 CB TYR A 14 -0.796 -1.282 8.464 1.00 0.00 C ATOM 162 CG TYR A 14 -1.730 -0.093 8.499 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.264 1.170 8.847 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.076 -0.232 8.187 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.113 2.259 8.882 1.00 0.00 C ATOM 166 CE2 TYR A 14 -3.932 0.852 8.218 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.446 2.095 8.566 1.00 0.00 C ATOM 168 OH TYR A 14 -4.296 3.177 8.599 1.00 0.00 O ATOM 0 H TYR A 14 -1.743 -1.238 11.301 1.00 0.00 H new ATOM 0 HA TYR A 14 0.275 -2.636 9.743 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.069 -1.035 7.849 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.303 -2.117 7.981 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.221 1.302 9.094 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.460 -1.204 7.915 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.736 3.233 9.155 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.976 0.727 7.971 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.239 3.664 7.751 1.00 0.00 H new ATOM 178 N SER A 15 1.850 -0.658 10.096 1.00 0.00 N ATOM 179 CA SER A 15 2.802 0.319 10.611 1.00 0.00 C ATOM 180 C SER A 15 4.028 0.411 9.708 1.00 0.00 C ATOM 181 O SER A 15 4.443 -0.564 9.081 1.00 0.00 O ATOM 182 CB SER A 15 3.228 -0.052 12.033 1.00 0.00 C ATOM 183 OG SER A 15 2.289 0.415 12.985 1.00 0.00 O ATOM 0 H SER A 15 2.251 -1.337 9.448 1.00 0.00 H new ATOM 0 HA SER A 15 2.312 1.292 10.629 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.327 -1.134 12.116 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.208 0.375 12.245 1.00 0.00 H new ATOM 0 HG SER A 15 1.417 0.534 12.553 1.00 0.00 H new ATOM 189 N PRO A 16 4.623 1.611 9.639 1.00 0.00 N ATOM 190 CA PRO A 16 4.137 2.779 10.380 1.00 0.00 C ATOM 191 C PRO A 16 2.808 3.297 9.840 1.00 0.00 C ATOM 192 O PRO A 16 2.579 3.302 8.631 1.00 0.00 O ATOM 193 CB PRO A 16 5.241 3.818 10.169 1.00 0.00 C ATOM 194 CG PRO A 16 5.894 3.422 8.890 1.00 0.00 C ATOM 195 CD PRO A 16 5.814 1.921 8.831 1.00 0.00 C ATOM 0 HA PRO A 16 3.946 2.546 11.428 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.830 4.826 10.108 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.952 3.813 10.995 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.387 3.874 8.037 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.930 3.759 8.860 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.709 1.564 7.806 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.710 1.454 9.240 1.00 0.00 H new ATOM 203 N SER A 17 1.937 3.732 10.744 1.00 0.00 N ATOM 204 CA SER A 17 0.629 4.250 10.358 1.00 0.00 C ATOM 205 C SER A 17 0.733 5.105 9.098 1.00 0.00 C ATOM 206 O SER A 17 -0.183 5.135 8.278 1.00 0.00 O ATOM 207 CB SER A 17 0.025 5.072 11.498 1.00 0.00 C ATOM 208 OG SER A 17 -1.169 5.715 11.086 1.00 0.00 O ATOM 0 H SER A 17 2.113 3.736 11.749 1.00 0.00 H new ATOM 0 HA SER A 17 -0.022 3.402 10.147 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.183 4.423 12.348 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.746 5.817 11.835 1.00 0.00 H new ATOM 0 HG SER A 17 -1.536 6.233 11.833 1.00 0.00 H new ATOM 214 N ALA A 18 1.857 5.799 8.954 1.00 0.00 N ATOM 215 CA ALA A 18 2.083 6.653 7.794 1.00 0.00 C ATOM 216 C ALA A 18 3.546 6.621 7.366 1.00 0.00 C ATOM 217 O ALA A 18 4.388 6.029 8.042 1.00 0.00 O ATOM 218 CB ALA A 18 1.652 8.080 8.098 1.00 0.00 C ATOM 0 H ALA A 18 2.625 5.787 9.625 1.00 0.00 H new ATOM 0 HA ALA A 18 1.481 6.271 6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.826 8.707 7.223 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.591 8.094 8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.229 8.463 8.940 1.00 0.00 H new ATOM 224 N CYS A 19 3.842 7.259 6.239 1.00 0.00 N ATOM 225 CA CYS A 19 5.204 7.302 5.719 1.00 0.00 C ATOM 226 C CYS A 19 5.425 8.553 4.876 1.00 0.00 C ATOM 227 O CYS A 19 4.492 9.314 4.619 1.00 0.00 O ATOM 228 CB CYS A 19 5.493 6.053 4.885 1.00 0.00 C ATOM 229 SG CYS A 19 7.245 5.613 4.798 1.00 0.00 S ATOM 0 H CYS A 19 3.157 7.754 5.668 1.00 0.00 H new ATOM 0 HA CYS A 19 5.889 7.331 6.566 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.939 5.213 5.304 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.118 6.210 3.874 1.00 0.00 H new ATOM 0 HG CYS A 19 7.878 6.154 5.796 1.00 0.00 H new ATOM 235 N SER A 20 6.667 8.761 4.449 1.00 0.00 N ATOM 236 CA SER A 20 7.012 9.923 3.639 1.00 0.00 C ATOM 237 C SER A 20 6.703 9.671 2.166 1.00 0.00 C ATOM 238 O SER A 20 6.780 8.538 1.689 1.00 0.00 O ATOM 239 CB SER A 20 8.492 10.269 3.809 1.00 0.00 C ATOM 240 OG SER A 20 8.759 10.739 5.119 1.00 0.00 O ATOM 0 H SER A 20 7.450 8.140 4.651 1.00 0.00 H new ATOM 0 HA SER A 20 6.408 10.764 3.980 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.100 9.388 3.604 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.777 11.029 3.082 1.00 0.00 H new ATOM 0 HG SER A 20 9.712 10.952 5.202 1.00 0.00 H new ATOM 246 N VAL A 21 6.353 10.735 1.450 1.00 0.00 N ATOM 247 CA VAL A 21 6.033 10.630 0.032 1.00 0.00 C ATOM 248 C VAL A 21 7.188 10.012 -0.748 1.00 0.00 C ATOM 249 O VAL A 21 7.032 9.625 -1.906 1.00 0.00 O ATOM 250 CB VAL A 21 5.700 12.007 -0.572 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.359 12.506 -0.055 1.00 0.00 C ATOM 252 CG2 VAL A 21 6.804 13.006 -0.261 1.00 0.00 C ATOM 0 H VAL A 21 6.284 11.679 1.829 1.00 0.00 H new ATOM 0 HA VAL A 21 5.158 9.985 -0.048 1.00 0.00 H new ATOM 0 HB VAL A 21 5.630 11.902 -1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.140 13.480 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.576 11.800 -0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.398 12.596 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.552 13.973 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.908 13.109 0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.744 12.652 -0.684 1.00 0.00 H new ATOM 262 N ARG A 22 8.348 9.923 -0.105 1.00 0.00 N ATOM 263 CA ARG A 22 9.531 9.352 -0.738 1.00 0.00 C ATOM 264 C ARG A 22 9.471 7.827 -0.729 1.00 0.00 C ATOM 265 O ARG A 22 9.955 7.171 -1.650 1.00 0.00 O ATOM 266 CB ARG A 22 10.797 9.828 -0.024 1.00 0.00 C ATOM 267 CG ARG A 22 10.842 9.456 1.449 1.00 0.00 C ATOM 268 CD ARG A 22 12.206 9.744 2.055 1.00 0.00 C ATOM 269 NE ARG A 22 13.170 8.687 1.763 1.00 0.00 N ATOM 270 CZ ARG A 22 14.242 8.442 2.509 1.00 0.00 C ATOM 271 NH1 ARG A 22 14.484 9.175 3.587 1.00 0.00 N ATOM 272 NH2 ARG A 22 15.072 7.462 2.178 1.00 0.00 N ATOM 0 H ARG A 22 8.494 10.239 0.854 1.00 0.00 H new ATOM 0 HA ARG A 22 9.557 9.691 -1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.667 9.403 -0.524 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.872 10.911 -0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.077 10.014 1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.607 8.398 1.565 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.581 10.692 1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.107 9.855 3.135 1.00 0.00 H new ATOM 0 HE ARG A 22 13.012 8.104 0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.847 9.929 3.845 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.307 8.985 4.158 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.888 6.895 1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.895 7.275 2.751 1.00 0.00 H new ATOM 286 N GLY A 23 8.873 7.270 0.321 1.00 0.00 N ATOM 287 CA GLY A 23 8.761 5.827 0.431 1.00 0.00 C ATOM 288 C GLY A 23 10.077 5.170 0.797 1.00 0.00 C ATOM 289 O GLY A 23 10.755 5.599 1.730 1.00 0.00 O ATOM 0 H GLY A 23 8.465 7.792 1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.013 5.580 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.406 5.420 -0.516 1.00 0.00 H new ATOM 293 N GLY A 24 10.439 4.123 0.062 1.00 0.00 N ATOM 294 CA GLY A 24 11.681 3.421 0.331 1.00 0.00 C ATOM 295 C GLY A 24 11.837 3.062 1.795 1.00 0.00 C ATOM 296 O GLY A 24 12.922 3.196 2.360 1.00 0.00 O ATOM 0 H GLY A 24 9.895 3.748 -0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.718 2.512 -0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.521 4.043 0.021 1.00 0.00 H new ATOM 300 N GLU A 25 10.751 2.605 2.410 1.00 0.00 N ATOM 301 CA GLU A 25 10.774 2.227 3.819 1.00 0.00 C ATOM 302 C GLU A 25 10.206 0.825 4.015 1.00 0.00 C ATOM 303 O GLU A 25 9.620 0.248 3.100 1.00 0.00 O ATOM 304 CB GLU A 25 9.976 3.233 4.652 1.00 0.00 C ATOM 305 CG GLU A 25 10.788 4.440 5.090 1.00 0.00 C ATOM 306 CD GLU A 25 10.262 5.065 6.367 1.00 0.00 C ATOM 307 OE1 GLU A 25 10.417 4.444 7.439 1.00 0.00 O ATOM 308 OE2 GLU A 25 9.697 6.176 6.294 1.00 0.00 O ATOM 0 H GLU A 25 9.845 2.487 1.956 1.00 0.00 H new ATOM 0 HA GLU A 25 11.811 2.230 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.119 3.574 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.583 2.730 5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.826 4.141 5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.781 5.186 4.295 1.00 0.00 H new ATOM 315 N GLU A 26 10.386 0.283 5.216 1.00 0.00 N ATOM 316 CA GLU A 26 9.893 -1.053 5.532 1.00 0.00 C ATOM 317 C GLU A 26 8.491 -0.988 6.130 1.00 0.00 C ATOM 318 O GLU A 26 8.284 -0.402 7.193 1.00 0.00 O ATOM 319 CB GLU A 26 10.843 -1.754 6.505 1.00 0.00 C ATOM 320 CG GLU A 26 10.757 -3.270 6.454 1.00 0.00 C ATOM 321 CD GLU A 26 11.993 -3.944 7.016 1.00 0.00 C ATOM 322 OE1 GLU A 26 12.070 -4.110 8.251 1.00 0.00 O ATOM 323 OE2 GLU A 26 12.885 -4.306 6.220 1.00 0.00 O ATOM 0 H GLU A 26 10.869 0.748 5.985 1.00 0.00 H new ATOM 0 HA GLU A 26 9.847 -1.625 4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.866 -1.449 6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.623 -1.420 7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.882 -3.599 7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.613 -3.587 5.421 1.00 0.00 H new ATOM 330 N LEU A 27 7.531 -1.594 5.440 1.00 0.00 N ATOM 331 CA LEU A 27 6.147 -1.605 5.902 1.00 0.00 C ATOM 332 C LEU A 27 5.683 -3.029 6.193 1.00 0.00 C ATOM 333 O LEU A 27 5.819 -3.921 5.356 1.00 0.00 O ATOM 334 CB LEU A 27 5.235 -0.963 4.856 1.00 0.00 C ATOM 335 CG LEU A 27 3.754 -0.869 5.225 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.538 0.182 6.302 1.00 0.00 C ATOM 337 CD2 LEU A 27 2.917 -0.553 3.994 1.00 0.00 C ATOM 0 H LEU A 27 7.685 -2.084 4.559 1.00 0.00 H new ATOM 0 HA LEU A 27 6.092 -1.028 6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.602 0.042 4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.323 -1.530 3.929 1.00 0.00 H new ATOM 0 HG LEU A 27 3.435 -1.834 5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.478 0.235 6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.107 -0.086 7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.873 1.152 5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.866 -0.490 4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.237 0.399 3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.048 -1.342 3.253 1.00 0.00 H new ATOM 349 N VAL A 28 5.131 -3.233 7.385 1.00 0.00 N ATOM 350 CA VAL A 28 4.642 -4.547 7.786 1.00 0.00 C ATOM 351 C VAL A 28 3.139 -4.521 8.036 1.00 0.00 C ATOM 352 O VAL A 28 2.642 -3.711 8.819 1.00 0.00 O ATOM 353 CB VAL A 28 5.354 -5.047 9.057 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.803 -6.399 9.482 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.857 -5.122 8.831 1.00 0.00 C ATOM 0 H VAL A 28 5.011 -2.505 8.090 1.00 0.00 H new ATOM 0 HA VAL A 28 4.859 -5.230 6.964 1.00 0.00 H new ATOM 0 HB VAL A 28 5.165 -4.336 9.861 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.318 -6.736 10.382 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.736 -6.309 9.687 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.959 -7.123 8.682 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.344 -5.477 9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.068 -5.811 8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.237 -4.132 8.579 1.00 0.00 H new ATOM 365 N LEU A 29 2.418 -5.414 7.366 1.00 0.00 N ATOM 366 CA LEU A 29 0.969 -5.495 7.515 1.00 0.00 C ATOM 367 C LEU A 29 0.576 -6.696 8.370 1.00 0.00 C ATOM 368 O LEU A 29 1.064 -7.807 8.160 1.00 0.00 O ATOM 369 CB LEU A 29 0.299 -5.589 6.143 1.00 0.00 C ATOM 370 CG LEU A 29 0.634 -4.472 5.154 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.562 -4.985 3.725 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.305 -3.290 5.347 1.00 0.00 C ATOM 0 H LEU A 29 2.813 -6.092 6.714 1.00 0.00 H new ATOM 0 HA LEU A 29 0.629 -4.589 8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.575 -6.542 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.781 -5.606 6.289 1.00 0.00 H new ATOM 0 HG LEU A 29 1.653 -4.136 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.803 -4.176 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.276 -5.799 3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.445 -5.349 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.052 -2.504 4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.333 -3.612 5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.203 -2.906 6.362 1.00 0.00 H new ATOM 384 N THR A 30 -0.311 -6.465 9.333 1.00 0.00 N ATOM 385 CA THR A 30 -0.771 -7.528 10.218 1.00 0.00 C ATOM 386 C THR A 30 -2.159 -8.015 9.818 1.00 0.00 C ATOM 387 O THR A 30 -3.049 -7.215 9.528 1.00 0.00 O ATOM 388 CB THR A 30 -0.807 -7.060 11.685 1.00 0.00 C ATOM 389 OG1 THR A 30 0.455 -6.489 12.048 1.00 0.00 O ATOM 390 CG2 THR A 30 -1.129 -8.220 12.615 1.00 0.00 C ATOM 0 H THR A 30 -0.725 -5.552 9.520 1.00 0.00 H new ATOM 0 HA THR A 30 -0.060 -8.349 10.123 1.00 0.00 H new ATOM 0 HB THR A 30 -1.589 -6.307 11.784 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.423 -6.192 12.981 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.149 -7.865 13.646 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.103 -8.635 12.355 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.366 -8.992 12.512 1.00 0.00 H new ATOM 398 N GLY A 31 -2.338 -9.332 9.804 1.00 0.00 N ATOM 399 CA GLY A 31 -3.622 -9.902 9.439 1.00 0.00 C ATOM 400 C GLY A 31 -3.571 -11.412 9.314 1.00 0.00 C ATOM 401 O GLY A 31 -2.906 -12.085 10.102 1.00 0.00 O ATOM 0 H GLY A 31 -1.617 -10.014 10.039 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.364 -9.627 10.188 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.951 -9.473 8.492 1.00 0.00 H new ATOM 405 N SER A 32 -4.276 -11.947 8.322 1.00 0.00 N ATOM 406 CA SER A 32 -4.313 -13.387 8.100 1.00 0.00 C ATOM 407 C SER A 32 -4.992 -13.715 6.774 1.00 0.00 C ATOM 408 O SER A 32 -5.685 -12.879 6.195 1.00 0.00 O ATOM 409 CB SER A 32 -5.047 -14.083 9.248 1.00 0.00 C ATOM 410 OG SER A 32 -6.432 -13.782 9.224 1.00 0.00 O ATOM 0 H SER A 32 -4.829 -11.404 7.659 1.00 0.00 H new ATOM 0 HA SER A 32 -3.286 -13.750 8.062 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.905 -15.161 9.174 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.620 -13.769 10.200 1.00 0.00 H new ATOM 0 HG SER A 32 -6.879 -14.240 9.966 1.00 0.00 H new ATOM 416 N ASN A 33 -4.788 -14.940 6.298 1.00 0.00 N ATOM 417 CA ASN A 33 -5.380 -15.380 5.040 1.00 0.00 C ATOM 418 C ASN A 33 -4.697 -14.707 3.853 1.00 0.00 C ATOM 419 O ASN A 33 -5.359 -14.210 2.942 1.00 0.00 O ATOM 420 CB ASN A 33 -6.878 -15.072 5.022 1.00 0.00 C ATOM 421 CG ASN A 33 -7.661 -16.060 4.179 1.00 0.00 C ATOM 422 OD1 ASN A 33 -8.513 -16.789 4.688 1.00 0.00 O ATOM 423 ND2 ASN A 33 -7.375 -16.088 2.882 1.00 0.00 N ATOM 0 H ASN A 33 -4.217 -15.645 6.765 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.236 -16.457 4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.261 -15.085 6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.035 -14.065 4.636 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.869 -16.732 2.265 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.661 -15.465 2.504 1.00 0.00 H new ATOM 430 N PHE A 34 -3.368 -14.695 3.871 1.00 0.00 N ATOM 431 CA PHE A 34 -2.595 -14.083 2.797 1.00 0.00 C ATOM 432 C PHE A 34 -2.006 -15.147 1.876 1.00 0.00 C ATOM 433 O PHE A 34 -2.114 -16.345 2.143 1.00 0.00 O ATOM 434 CB PHE A 34 -1.474 -13.217 3.376 1.00 0.00 C ATOM 435 CG PHE A 34 -1.969 -11.989 4.083 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.971 -11.209 3.527 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.434 -11.613 5.305 1.00 0.00 C ATOM 438 CE1 PHE A 34 -3.430 -10.078 4.176 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.889 -10.483 5.958 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.887 -9.714 5.392 1.00 0.00 C ATOM 0 H PHE A 34 -2.804 -15.102 4.617 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.267 -13.454 2.213 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.887 -13.815 4.072 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.804 -12.917 2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.398 -11.488 2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.653 -12.210 5.752 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.212 -9.480 3.732 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.464 -10.201 6.910 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.242 -8.829 5.900 1.00 0.00 H new ATOM 450 N LEU A 35 -1.385 -14.703 0.789 1.00 0.00 N ATOM 451 CA LEU A 35 -0.779 -15.616 -0.174 1.00 0.00 C ATOM 452 C LEU A 35 0.718 -15.355 -0.305 1.00 0.00 C ATOM 453 O LEU A 35 1.198 -14.239 -0.106 1.00 0.00 O ATOM 454 CB LEU A 35 -1.455 -15.472 -1.539 1.00 0.00 C ATOM 455 CG LEU A 35 -2.679 -16.357 -1.778 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.650 -15.678 -2.732 1.00 0.00 C ATOM 457 CD2 LEU A 35 -2.257 -17.715 -2.321 1.00 0.00 C ATOM 0 H LEU A 35 -1.288 -13.716 0.552 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.921 -16.634 0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.753 -14.431 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.718 -15.689 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.185 -16.510 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.515 -16.322 -2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.977 -14.730 -2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.155 -15.494 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.141 -18.332 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.728 -17.581 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.600 -18.206 -1.603 1.00 0.00 H new ATOM 469 N PRO A 36 1.475 -16.408 -0.649 1.00 0.00 N ATOM 470 CA PRO A 36 2.928 -16.317 -0.817 1.00 0.00 C ATOM 471 C PRO A 36 3.319 -15.508 -2.049 1.00 0.00 C ATOM 472 O PRO A 36 4.473 -15.105 -2.198 1.00 0.00 O ATOM 473 CB PRO A 36 3.359 -17.777 -0.977 1.00 0.00 C ATOM 474 CG PRO A 36 2.152 -18.472 -1.507 1.00 0.00 C ATOM 475 CD PRO A 36 0.969 -17.768 -0.901 1.00 0.00 C ATOM 0 HA PRO A 36 3.404 -15.807 0.021 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.201 -17.868 -1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.675 -18.203 -0.025 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.120 -18.423 -2.595 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.159 -19.528 -1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.115 -17.760 -1.579 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.641 -18.252 0.019 1.00 0.00 H new ATOM 483 N ASP A 37 2.352 -15.274 -2.929 1.00 0.00 N ATOM 484 CA ASP A 37 2.596 -14.511 -4.148 1.00 0.00 C ATOM 485 C ASP A 37 1.554 -13.409 -4.317 1.00 0.00 C ATOM 486 O ASP A 37 1.170 -13.071 -5.436 1.00 0.00 O ATOM 487 CB ASP A 37 2.579 -15.436 -5.366 1.00 0.00 C ATOM 488 CG ASP A 37 3.736 -16.417 -5.363 1.00 0.00 C ATOM 489 OD1 ASP A 37 3.685 -17.392 -4.584 1.00 0.00 O ATOM 490 OD2 ASP A 37 4.690 -16.210 -6.141 1.00 0.00 O ATOM 0 H ASP A 37 1.392 -15.601 -2.821 1.00 0.00 H new ATOM 0 HA ASP A 37 3.579 -14.048 -4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.639 -15.987 -5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.617 -14.836 -6.275 1.00 0.00 H new ATOM 495 N SER A 38 1.101 -12.854 -3.198 1.00 0.00 N ATOM 496 CA SER A 38 0.100 -11.794 -3.221 1.00 0.00 C ATOM 497 C SER A 38 0.642 -10.551 -3.921 1.00 0.00 C ATOM 498 O SER A 38 1.819 -10.486 -4.275 1.00 0.00 O ATOM 499 CB SER A 38 -0.335 -11.442 -1.797 1.00 0.00 C ATOM 500 OG SER A 38 -1.439 -12.231 -1.392 1.00 0.00 O ATOM 0 H SER A 38 1.411 -13.121 -2.264 1.00 0.00 H new ATOM 0 HA SER A 38 -0.764 -12.156 -3.778 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.497 -11.596 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.600 -10.386 -1.745 1.00 0.00 H new ATOM 0 HG SER A 38 -1.936 -12.529 -2.183 1.00 0.00 H new ATOM 506 N LYS A 39 -0.227 -9.565 -4.118 1.00 0.00 N ATOM 507 CA LYS A 39 0.162 -8.322 -4.774 1.00 0.00 C ATOM 508 C LYS A 39 -0.425 -7.116 -4.048 1.00 0.00 C ATOM 509 O LYS A 39 -1.568 -7.150 -3.591 1.00 0.00 O ATOM 510 CB LYS A 39 -0.299 -8.326 -6.234 1.00 0.00 C ATOM 511 CG LYS A 39 0.450 -9.319 -7.106 1.00 0.00 C ATOM 512 CD LYS A 39 -0.211 -10.687 -7.087 1.00 0.00 C ATOM 513 CE LYS A 39 0.026 -11.438 -8.388 1.00 0.00 C ATOM 514 NZ LYS A 39 -0.397 -12.862 -8.292 1.00 0.00 N ATOM 0 H LYS A 39 -1.206 -9.603 -3.833 1.00 0.00 H new ATOM 0 HA LYS A 39 1.249 -8.249 -4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.364 -8.555 -6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.175 -7.325 -6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.490 -8.947 -8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.479 -9.406 -6.758 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.180 -11.270 -6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.282 -10.572 -6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.522 -10.950 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.084 -11.390 -8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.004 -13.398 -9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.056 -13.266 -7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.435 -12.919 -8.325 1.00 0.00 H new ATOM 528 N VAL A 40 0.363 -6.051 -3.946 1.00 0.00 N ATOM 529 CA VAL A 40 -0.080 -4.833 -3.277 1.00 0.00 C ATOM 530 C VAL A 40 0.101 -3.615 -4.177 1.00 0.00 C ATOM 531 O VAL A 40 1.217 -3.284 -4.575 1.00 0.00 O ATOM 532 CB VAL A 40 0.687 -4.604 -1.962 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.197 -3.341 -1.270 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.548 -5.812 -1.047 1.00 0.00 C ATOM 0 H VAL A 40 1.312 -6.007 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.139 -4.962 -3.053 1.00 0.00 H new ATOM 0 HB VAL A 40 1.744 -4.474 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.751 -3.196 -0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.354 -2.483 -1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.866 -3.437 -1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.096 -5.633 -0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.505 -5.976 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.953 -6.693 -1.544 1.00 0.00 H new ATOM 544 N VAL A 41 -1.007 -2.951 -4.494 1.00 0.00 N ATOM 545 CA VAL A 41 -0.971 -1.768 -5.345 1.00 0.00 C ATOM 546 C VAL A 41 -1.588 -0.565 -4.641 1.00 0.00 C ATOM 547 O VAL A 41 -2.474 -0.712 -3.799 1.00 0.00 O ATOM 548 CB VAL A 41 -1.715 -2.009 -6.672 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.170 -3.244 -7.374 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.211 -2.142 -6.427 1.00 0.00 C ATOM 0 H VAL A 41 -1.940 -3.213 -4.174 1.00 0.00 H new ATOM 0 HA VAL A 41 0.078 -1.562 -5.557 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.551 -1.149 -7.322 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.708 -3.398 -8.309 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.109 -3.105 -7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.302 -4.115 -6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.721 -2.312 -7.375 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.397 -2.983 -5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.588 -1.226 -5.971 1.00 0.00 H new ATOM 560 N PHE A 42 -1.113 0.626 -4.990 1.00 0.00 N ATOM 561 CA PHE A 42 -1.617 1.856 -4.391 1.00 0.00 C ATOM 562 C PHE A 42 -2.518 2.607 -5.367 1.00 0.00 C ATOM 563 O PHE A 42 -2.354 2.505 -6.583 1.00 0.00 O ATOM 564 CB PHE A 42 -0.454 2.752 -3.959 1.00 0.00 C ATOM 565 CG PHE A 42 0.179 2.330 -2.665 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.756 1.076 -2.536 1.00 0.00 C ATOM 567 CD2 PHE A 42 0.199 3.187 -1.576 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.339 0.685 -1.346 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.781 2.801 -0.383 1.00 0.00 C ATOM 570 CZ PHE A 42 1.353 1.549 -0.268 1.00 0.00 C ATOM 0 H PHE A 42 -0.379 0.765 -5.685 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.206 1.589 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.304 2.752 -4.742 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.812 3.777 -3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.750 0.397 -3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.245 4.168 -1.660 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.783 -0.295 -1.259 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.788 3.478 0.459 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.810 1.246 0.662 1.00 0.00 H new ATOM 580 N ILE A 43 -3.469 3.360 -4.825 1.00 0.00 N ATOM 581 CA ILE A 43 -4.395 4.129 -5.647 1.00 0.00 C ATOM 582 C ILE A 43 -4.411 5.596 -5.232 1.00 0.00 C ATOM 583 O ILE A 43 -4.171 5.924 -4.071 1.00 0.00 O ATOM 584 CB ILE A 43 -5.826 3.566 -5.559 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.367 3.708 -4.135 1.00 0.00 C ATOM 586 CG2 ILE A 43 -5.850 2.109 -5.998 1.00 0.00 C ATOM 587 CD1 ILE A 43 -7.873 3.606 -4.048 1.00 0.00 C ATOM 0 H ILE A 43 -3.618 3.454 -3.820 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.045 4.049 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.467 4.138 -6.230 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.922 2.936 -3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.052 4.670 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.868 1.725 -5.930 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.502 2.034 -7.028 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.198 1.523 -5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.186 3.716 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.326 4.394 -4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.194 2.634 -4.423 1.00 0.00 H new ATOM 599 N GLU A 44 -4.698 6.473 -6.189 1.00 0.00 N ATOM 600 CA GLU A 44 -4.747 7.906 -5.921 1.00 0.00 C ATOM 601 C GLU A 44 -6.012 8.526 -6.507 1.00 0.00 C ATOM 602 O GLU A 44 -6.408 8.211 -7.630 1.00 0.00 O ATOM 603 CB GLU A 44 -3.511 8.598 -6.500 1.00 0.00 C ATOM 604 CG GLU A 44 -3.567 10.114 -6.415 1.00 0.00 C ATOM 605 CD GLU A 44 -2.521 10.785 -7.284 1.00 0.00 C ATOM 606 OE1 GLU A 44 -1.317 10.572 -7.034 1.00 0.00 O ATOM 607 OE2 GLU A 44 -2.908 11.524 -8.214 1.00 0.00 O ATOM 0 H GLU A 44 -4.900 6.217 -7.155 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.761 8.047 -4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.626 8.245 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.396 8.305 -7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.558 10.455 -6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.425 10.422 -5.379 1.00 0.00 H new ATOM 614 N ARG A 45 -6.643 9.408 -5.739 1.00 0.00 N ATOM 615 CA ARG A 45 -7.864 10.071 -6.180 1.00 0.00 C ATOM 616 C ARG A 45 -7.552 11.434 -6.791 1.00 0.00 C ATOM 617 O ARG A 45 -6.901 12.271 -6.166 1.00 0.00 O ATOM 618 CB ARG A 45 -8.833 10.235 -5.008 1.00 0.00 C ATOM 619 CG ARG A 45 -9.388 8.919 -4.488 1.00 0.00 C ATOM 620 CD ARG A 45 -8.487 8.317 -3.421 1.00 0.00 C ATOM 621 NE ARG A 45 -8.802 8.825 -2.089 1.00 0.00 N ATOM 622 CZ ARG A 45 -9.967 8.626 -1.482 1.00 0.00 C ATOM 623 NH1 ARG A 45 -10.922 7.931 -2.086 1.00 0.00 N ATOM 624 NH2 ARG A 45 -10.178 9.120 -0.269 1.00 0.00 N ATOM 0 H ARG A 45 -6.328 9.680 -4.808 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.330 9.448 -6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.322 10.751 -4.195 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.661 10.872 -5.319 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.384 9.080 -4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.495 8.216 -5.314 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.591 7.232 -3.429 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.446 8.540 -3.657 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.088 9.362 -1.597 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.763 7.548 -3.018 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.816 7.779 -1.618 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.445 9.653 0.199 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.073 8.966 0.196 1.00 0.00 H new ATOM 638 N GLY A 46 -8.020 11.650 -8.016 1.00 0.00 N ATOM 639 CA GLY A 46 -7.780 12.912 -8.691 1.00 0.00 C ATOM 640 C GLY A 46 -8.945 13.872 -8.555 1.00 0.00 C ATOM 641 O GLY A 46 -10.067 13.480 -8.234 1.00 0.00 O ATOM 0 H GLY A 46 -8.562 10.973 -8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.882 13.375 -8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.589 12.725 -9.748 1.00 0.00 H new ATOM 645 N PRO A 47 -8.683 15.165 -8.800 1.00 0.00 N ATOM 646 CA PRO A 47 -9.706 16.211 -8.707 1.00 0.00 C ATOM 647 C PRO A 47 -10.742 16.109 -9.821 1.00 0.00 C ATOM 648 O PRO A 47 -11.690 16.892 -9.874 1.00 0.00 O ATOM 649 CB PRO A 47 -8.901 17.506 -8.843 1.00 0.00 C ATOM 650 CG PRO A 47 -7.680 17.116 -9.600 1.00 0.00 C ATOM 651 CD PRO A 47 -7.369 15.704 -9.186 1.00 0.00 C ATOM 0 HA PRO A 47 -10.277 16.142 -7.781 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.468 18.271 -9.374 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.646 17.918 -7.867 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.851 17.179 -10.675 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.849 17.782 -9.370 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.925 15.134 -10.002 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.663 15.675 -8.356 1.00 0.00 H new ATOM 659 N ASP A 48 -10.555 15.138 -10.709 1.00 0.00 N ATOM 660 CA ASP A 48 -11.475 14.932 -11.822 1.00 0.00 C ATOM 661 C ASP A 48 -12.717 14.172 -11.367 1.00 0.00 C ATOM 662 O ASP A 48 -13.840 14.533 -11.714 1.00 0.00 O ATOM 663 CB ASP A 48 -10.780 14.170 -12.951 1.00 0.00 C ATOM 664 CG ASP A 48 -10.927 12.668 -12.811 1.00 0.00 C ATOM 665 OD1 ASP A 48 -12.065 12.168 -12.936 1.00 0.00 O ATOM 666 OD2 ASP A 48 -9.903 11.991 -12.579 1.00 0.00 O ATOM 0 H ASP A 48 -9.775 14.481 -10.680 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.785 15.910 -12.191 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.196 14.485 -13.908 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.721 14.429 -12.962 1.00 0.00 H new ATOM 671 N GLY A 49 -12.505 13.116 -10.587 1.00 0.00 N ATOM 672 CA GLY A 49 -13.616 12.320 -10.098 1.00 0.00 C ATOM 673 C GLY A 49 -13.257 10.856 -9.944 1.00 0.00 C ATOM 674 O GLY A 49 -13.785 10.168 -9.070 1.00 0.00 O ATOM 0 H GLY A 49 -11.584 12.798 -10.285 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.945 12.713 -9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.457 12.414 -10.785 1.00 0.00 H new ATOM 678 N LYS A 50 -12.358 10.376 -10.796 1.00 0.00 N ATOM 679 CA LYS A 50 -11.928 8.983 -10.752 1.00 0.00 C ATOM 680 C LYS A 50 -10.468 8.878 -10.320 1.00 0.00 C ATOM 681 O LYS A 50 -9.696 9.826 -10.469 1.00 0.00 O ATOM 682 CB LYS A 50 -12.115 8.327 -12.121 1.00 0.00 C ATOM 683 CG LYS A 50 -11.404 9.056 -13.248 1.00 0.00 C ATOM 684 CD LYS A 50 -11.490 8.285 -14.554 1.00 0.00 C ATOM 685 CE LYS A 50 -10.529 7.105 -14.569 1.00 0.00 C ATOM 686 NZ LYS A 50 -11.133 5.890 -13.955 1.00 0.00 N ATOM 0 H LYS A 50 -11.912 10.931 -11.526 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.544 8.461 -10.019 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.749 7.301 -12.076 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.180 8.276 -12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.845 10.044 -13.378 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.358 9.207 -12.982 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.509 7.927 -14.700 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.263 8.951 -15.387 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.238 6.886 -15.597 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.620 7.370 -14.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.666 5.691 -13.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.148 6.050 -13.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.008 5.079 -14.594 1.00 0.00 H new ATOM 700 N LEU A 51 -10.096 7.719 -9.787 1.00 0.00 N ATOM 701 CA LEU A 51 -8.728 7.489 -9.336 1.00 0.00 C ATOM 702 C LEU A 51 -7.957 6.644 -10.344 1.00 0.00 C ATOM 703 O LEU A 51 -8.491 5.684 -10.900 1.00 0.00 O ATOM 704 CB LEU A 51 -8.730 6.800 -7.970 1.00 0.00 C ATOM 705 CG LEU A 51 -9.699 5.628 -7.811 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.311 4.486 -8.739 1.00 0.00 C ATOM 707 CD2 LEU A 51 -9.731 5.155 -6.365 1.00 0.00 C ATOM 0 H LEU A 51 -10.722 6.925 -9.657 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.233 8.456 -9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.721 6.442 -7.765 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.965 7.545 -7.210 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.698 5.967 -8.083 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.011 3.660 -8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.340 4.831 -9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.303 4.147 -8.498 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.426 4.321 -6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.734 4.833 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.056 5.973 -5.722 1.00 0.00 H new ATOM 719 N GLN A 52 -6.699 7.005 -10.572 1.00 0.00 N ATOM 720 CA GLN A 52 -5.854 6.278 -11.512 1.00 0.00 C ATOM 721 C GLN A 52 -4.383 6.397 -11.127 1.00 0.00 C ATOM 722 O GLN A 52 -3.763 7.442 -11.323 1.00 0.00 O ATOM 723 CB GLN A 52 -6.066 6.804 -12.933 1.00 0.00 C ATOM 724 CG GLN A 52 -5.793 8.292 -13.077 1.00 0.00 C ATOM 725 CD GLN A 52 -6.308 8.855 -14.387 1.00 0.00 C ATOM 726 OE1 GLN A 52 -6.232 8.204 -15.429 1.00 0.00 O ATOM 727 NE2 GLN A 52 -6.837 10.073 -14.341 1.00 0.00 N ATOM 0 H GLN A 52 -6.242 7.796 -10.119 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.136 5.226 -11.476 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.416 6.256 -13.615 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.092 6.600 -13.238 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.259 8.825 -12.248 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.720 8.469 -13.006 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.880 10.577 -13.455 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.200 10.504 -15.191 1.00 0.00 H new ATOM 736 N TRP A 53 -3.832 5.321 -10.578 1.00 0.00 N ATOM 737 CA TRP A 53 -2.433 5.306 -10.165 1.00 0.00 C ATOM 738 C TRP A 53 -1.844 3.904 -10.287 1.00 0.00 C ATOM 739 O TRP A 53 -2.164 3.017 -9.498 1.00 0.00 O ATOM 740 CB TRP A 53 -2.300 5.804 -8.724 1.00 0.00 C ATOM 741 CG TRP A 53 -0.877 5.956 -8.278 1.00 0.00 C ATOM 742 CD1 TRP A 53 0.222 6.098 -9.076 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.401 5.982 -6.928 1.00 0.00 C ATOM 744 NE1 TRP A 53 1.353 6.209 -8.304 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.998 6.142 -6.983 1.00 0.00 C ATOM 746 CE3 TRP A 53 -1.019 5.887 -5.679 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.785 6.207 -5.836 1.00 0.00 C ATOM 748 CZ3 TRP A 53 -0.237 5.951 -4.541 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.153 6.111 -4.626 1.00 0.00 C ATOM 0 H TRP A 53 -4.332 4.448 -10.408 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.878 5.972 -10.826 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -2.807 6.764 -8.631 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.810 5.108 -8.058 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.205 6.120 -10.156 1.00 0.00 H new ATOM 0 HE1 TRP A 53 2.303 6.323 -8.657 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.090 5.766 -5.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.856 6.329 -5.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.705 5.877 -3.570 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.737 6.159 -3.719 1.00 0.00 H new ATOM 760 N GLU A 54 -0.983 3.714 -11.282 1.00 0.00 N ATOM 761 CA GLU A 54 -0.351 2.419 -11.507 1.00 0.00 C ATOM 762 C GLU A 54 1.069 2.403 -10.948 1.00 0.00 C ATOM 763 O GLU A 54 2.005 2.875 -11.591 1.00 0.00 O ATOM 764 CB GLU A 54 -0.326 2.092 -13.001 1.00 0.00 C ATOM 765 CG GLU A 54 0.107 0.667 -13.305 1.00 0.00 C ATOM 766 CD GLU A 54 -0.187 0.261 -14.736 1.00 0.00 C ATOM 767 OE1 GLU A 54 -1.377 0.092 -15.073 1.00 0.00 O ATOM 768 OE2 GLU A 54 0.775 0.112 -15.519 1.00 0.00 O ATOM 0 H GLU A 54 -0.707 4.439 -11.944 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.937 1.662 -10.986 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.320 2.258 -13.417 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.350 2.783 -13.504 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.176 0.568 -13.115 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.402 -0.016 -12.625 1.00 0.00 H new ATOM 775 N GLU A 55 1.219 1.855 -9.746 1.00 0.00 N ATOM 776 CA GLU A 55 2.524 1.778 -9.100 1.00 0.00 C ATOM 777 C GLU A 55 2.698 0.443 -8.382 1.00 0.00 C ATOM 778 O GLU A 55 1.745 -0.104 -7.829 1.00 0.00 O ATOM 779 CB GLU A 55 2.695 2.930 -8.106 1.00 0.00 C ATOM 780 CG GLU A 55 1.837 2.790 -6.860 1.00 0.00 C ATOM 781 CD GLU A 55 2.265 1.628 -5.984 1.00 0.00 C ATOM 782 OE1 GLU A 55 3.487 1.414 -5.839 1.00 0.00 O ATOM 783 OE2 GLU A 55 1.379 0.934 -5.445 1.00 0.00 O ATOM 0 H GLU A 55 0.454 1.458 -9.201 1.00 0.00 H new ATOM 0 HA GLU A 55 3.288 1.858 -9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.742 2.992 -7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.448 3.868 -8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.888 3.713 -6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.796 2.655 -7.154 1.00 0.00 H new ATOM 790 N GLU A 56 3.922 -0.075 -8.397 1.00 0.00 N ATOM 791 CA GLU A 56 4.221 -1.347 -7.749 1.00 0.00 C ATOM 792 C GLU A 56 5.187 -1.150 -6.584 1.00 0.00 C ATOM 793 O GLU A 56 6.127 -0.362 -6.670 1.00 0.00 O ATOM 794 CB GLU A 56 4.815 -2.332 -8.758 1.00 0.00 C ATOM 795 CG GLU A 56 5.129 -3.695 -8.165 1.00 0.00 C ATOM 796 CD GLU A 56 5.495 -4.720 -9.221 1.00 0.00 C ATOM 797 OE1 GLU A 56 6.524 -4.527 -9.902 1.00 0.00 O ATOM 798 OE2 GLU A 56 4.753 -5.714 -9.367 1.00 0.00 O ATOM 0 H GLU A 56 4.722 0.366 -8.850 1.00 0.00 H new ATOM 0 HA GLU A 56 3.288 -1.755 -7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.116 -2.457 -9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.728 -1.907 -9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.952 -3.598 -7.457 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.265 -4.050 -7.603 1.00 0.00 H new ATOM 805 N ALA A 57 4.946 -1.874 -5.495 1.00 0.00 N ATOM 806 CA ALA A 57 5.794 -1.781 -4.314 1.00 0.00 C ATOM 807 C ALA A 57 6.586 -3.067 -4.103 1.00 0.00 C ATOM 808 O ALA A 57 6.034 -4.166 -4.167 1.00 0.00 O ATOM 809 CB ALA A 57 4.955 -1.469 -3.084 1.00 0.00 C ATOM 0 H ALA A 57 4.171 -2.531 -5.407 1.00 0.00 H new ATOM 0 HA ALA A 57 6.504 -0.969 -4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.602 -1.403 -2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.439 -0.519 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.222 -2.261 -2.933 1.00 0.00 H new ATOM 815 N THR A 58 7.884 -2.924 -3.852 1.00 0.00 N ATOM 816 CA THR A 58 8.751 -4.074 -3.635 1.00 0.00 C ATOM 817 C THR A 58 8.289 -4.893 -2.435 1.00 0.00 C ATOM 818 O THR A 58 8.402 -4.454 -1.290 1.00 0.00 O ATOM 819 CB THR A 58 10.213 -3.642 -3.414 1.00 0.00 C ATOM 820 OG1 THR A 58 10.645 -2.805 -4.492 1.00 0.00 O ATOM 821 CG2 THR A 58 11.126 -4.854 -3.308 1.00 0.00 C ATOM 0 H THR A 58 8.357 -2.022 -3.794 1.00 0.00 H new ATOM 0 HA THR A 58 8.693 -4.687 -4.534 1.00 0.00 H new ATOM 0 HB THR A 58 10.266 -3.085 -2.479 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.575 -2.533 -4.343 1.00 0.00 H new ATOM 0 HG21 THR A 58 12.153 -4.523 -3.152 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.813 -5.473 -2.467 1.00 0.00 H new ATOM 0 HG23 THR A 58 11.068 -5.435 -4.228 1.00 0.00 H new ATOM 829 N VAL A 59 7.767 -6.086 -2.704 1.00 0.00 N ATOM 830 CA VAL A 59 7.289 -6.967 -1.645 1.00 0.00 C ATOM 831 C VAL A 59 8.306 -8.060 -1.339 1.00 0.00 C ATOM 832 O VAL A 59 8.845 -8.693 -2.246 1.00 0.00 O ATOM 833 CB VAL A 59 5.946 -7.621 -2.024 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.520 -8.620 -0.958 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.876 -6.560 -2.231 1.00 0.00 C ATOM 0 H VAL A 59 7.665 -6.464 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 59 7.147 -6.349 -0.758 1.00 0.00 H new ATOM 0 HB VAL A 59 6.076 -8.160 -2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.570 -9.072 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.278 -9.398 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.407 -8.107 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.935 -7.040 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.745 -5.991 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.181 -5.888 -3.033 1.00 0.00 H new ATOM 845 N ASN A 60 8.563 -8.278 -0.053 1.00 0.00 N ATOM 846 CA ASN A 60 9.517 -9.296 0.374 1.00 0.00 C ATOM 847 C ASN A 60 8.808 -10.613 0.675 1.00 0.00 C ATOM 848 O ASN A 60 8.396 -10.863 1.807 1.00 0.00 O ATOM 849 CB ASN A 60 10.281 -8.821 1.611 1.00 0.00 C ATOM 850 CG ASN A 60 11.655 -9.455 1.721 1.00 0.00 C ATOM 851 OD1 ASN A 60 11.864 -10.587 1.286 1.00 0.00 O ATOM 852 ND2 ASN A 60 12.598 -8.725 2.305 1.00 0.00 N ATOM 0 H ASN A 60 8.124 -7.764 0.711 1.00 0.00 H new ATOM 0 HA ASN A 60 10.223 -9.461 -0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.386 -7.737 1.576 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.703 -9.056 2.504 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.542 -9.098 2.408 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.379 -7.791 2.651 1.00 0.00 H new ATOM 859 N ARG A 61 8.670 -11.451 -0.348 1.00 0.00 N ATOM 860 CA ARG A 61 8.011 -12.742 -0.193 1.00 0.00 C ATOM 861 C ARG A 61 8.779 -13.632 0.779 1.00 0.00 C ATOM 862 O ARG A 61 8.193 -14.467 1.469 1.00 0.00 O ATOM 863 CB ARG A 61 7.884 -13.439 -1.549 1.00 0.00 C ATOM 864 CG ARG A 61 6.600 -13.103 -2.289 1.00 0.00 C ATOM 865 CD ARG A 61 6.774 -11.881 -3.178 1.00 0.00 C ATOM 866 NE ARG A 61 7.436 -12.210 -4.437 1.00 0.00 N ATOM 867 CZ ARG A 61 7.381 -11.441 -5.519 1.00 0.00 C ATOM 868 NH1 ARG A 61 6.698 -10.304 -5.495 1.00 0.00 N ATOM 869 NH2 ARG A 61 8.010 -11.808 -6.628 1.00 0.00 N ATOM 0 H ARG A 61 9.006 -11.259 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 61 7.015 -12.567 0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.735 -13.162 -2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.936 -14.518 -1.400 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.294 -13.955 -2.896 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.801 -12.921 -1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.798 -11.442 -3.386 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.357 -11.127 -2.648 1.00 0.00 H new ATOM 0 HE ARG A 61 7.970 -13.078 -4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.213 -10.018 -4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.658 -9.716 -6.327 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.536 -12.681 -6.651 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.967 -11.217 -7.458 1.00 0.00 H new ATOM 883 N LEU A 62 10.094 -13.449 0.828 1.00 0.00 N ATOM 884 CA LEU A 62 10.944 -14.235 1.715 1.00 0.00 C ATOM 885 C LEU A 62 10.518 -14.065 3.170 1.00 0.00 C ATOM 886 O LEU A 62 10.396 -15.041 3.908 1.00 0.00 O ATOM 887 CB LEU A 62 12.408 -13.823 1.549 1.00 0.00 C ATOM 888 CG LEU A 62 13.133 -14.397 0.331 1.00 0.00 C ATOM 889 CD1 LEU A 62 13.652 -15.795 0.630 1.00 0.00 C ATOM 890 CD2 LEU A 62 12.211 -14.416 -0.879 1.00 0.00 C ATOM 0 H LEU A 62 10.595 -12.763 0.263 1.00 0.00 H new ATOM 0 HA LEU A 62 10.836 -15.285 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.455 -12.735 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.952 -14.122 2.445 1.00 0.00 H new ATOM 0 HG LEU A 62 13.985 -13.756 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.165 -16.188 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.347 -15.753 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.816 -16.447 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.744 -14.828 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.340 -15.034 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.888 -13.400 -1.106 1.00 0.00 H new ATOM 902 N GLN A 63 10.291 -12.819 3.572 1.00 0.00 N ATOM 903 CA GLN A 63 9.877 -12.521 4.938 1.00 0.00 C ATOM 904 C GLN A 63 8.367 -12.675 5.095 1.00 0.00 C ATOM 905 O GLN A 63 7.893 -13.323 6.028 1.00 0.00 O ATOM 906 CB GLN A 63 10.300 -11.103 5.325 1.00 0.00 C ATOM 907 CG GLN A 63 11.795 -10.859 5.198 1.00 0.00 C ATOM 908 CD GLN A 63 12.617 -11.820 6.033 1.00 0.00 C ATOM 909 OE1 GLN A 63 12.660 -13.020 5.758 1.00 0.00 O ATOM 910 NE2 GLN A 63 13.275 -11.298 7.062 1.00 0.00 N ATOM 0 H GLN A 63 10.387 -12.000 2.972 1.00 0.00 H new ATOM 0 HA GLN A 63 10.368 -13.232 5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.769 -10.389 4.695 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.995 -10.909 6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.087 -10.952 4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.019 -9.837 5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.211 -10.298 7.254 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.844 -11.897 7.660 1.00 0.00 H new ATOM 919 N SER A 64 7.618 -12.073 4.176 1.00 0.00 N ATOM 920 CA SER A 64 6.162 -12.140 4.215 1.00 0.00 C ATOM 921 C SER A 64 5.690 -13.564 4.492 1.00 0.00 C ATOM 922 O SER A 64 6.179 -14.519 3.891 1.00 0.00 O ATOM 923 CB SER A 64 5.573 -11.643 2.894 1.00 0.00 C ATOM 924 OG SER A 64 5.479 -12.695 1.949 1.00 0.00 O ATOM 0 H SER A 64 7.995 -11.534 3.396 1.00 0.00 H new ATOM 0 HA SER A 64 5.815 -11.498 5.024 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.584 -11.219 3.070 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.196 -10.844 2.492 1.00 0.00 H new ATOM 0 HG SER A 64 4.956 -12.395 1.176 1.00 0.00 H new ATOM 930 N ASN A 65 4.735 -13.697 5.407 1.00 0.00 N ATOM 931 CA ASN A 65 4.196 -15.004 5.765 1.00 0.00 C ATOM 932 C ASN A 65 2.717 -15.100 5.403 1.00 0.00 C ATOM 933 O ASN A 65 2.143 -14.165 4.846 1.00 0.00 O ATOM 934 CB ASN A 65 4.385 -15.264 7.260 1.00 0.00 C ATOM 935 CG ASN A 65 5.811 -15.019 7.715 1.00 0.00 C ATOM 936 OD1 ASN A 65 6.760 -15.243 6.964 1.00 0.00 O ATOM 937 ND2 ASN A 65 5.967 -14.556 8.950 1.00 0.00 N ATOM 0 H ASN A 65 4.319 -12.916 5.914 1.00 0.00 H new ATOM 0 HA ASN A 65 4.740 -15.761 5.200 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.711 -14.621 7.826 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.107 -16.294 7.485 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.903 -14.372 9.311 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.151 -14.385 9.537 1.00 0.00 H new ATOM 944 N GLU A 66 2.108 -16.237 5.724 1.00 0.00 N ATOM 945 CA GLU A 66 0.696 -16.455 5.432 1.00 0.00 C ATOM 946 C GLU A 66 -0.182 -15.529 6.269 1.00 0.00 C ATOM 947 O GLU A 66 -1.375 -15.381 6.006 1.00 0.00 O ATOM 948 CB GLU A 66 0.317 -17.914 5.698 1.00 0.00 C ATOM 949 CG GLU A 66 0.315 -18.283 7.172 1.00 0.00 C ATOM 950 CD GLU A 66 0.095 -19.766 7.402 1.00 0.00 C ATOM 951 OE1 GLU A 66 -1.046 -20.233 7.204 1.00 0.00 O ATOM 952 OE2 GLU A 66 1.063 -20.458 7.779 1.00 0.00 O ATOM 0 H GLU A 66 2.570 -17.021 6.186 1.00 0.00 H new ATOM 0 HA GLU A 66 0.530 -16.230 4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.673 -18.105 5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.015 -18.564 5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.264 -17.987 7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.466 -17.720 7.683 1.00 0.00 H new ATOM 959 N VAL A 67 0.418 -14.908 7.279 1.00 0.00 N ATOM 960 CA VAL A 67 -0.307 -13.996 8.155 1.00 0.00 C ATOM 961 C VAL A 67 0.351 -12.621 8.183 1.00 0.00 C ATOM 962 O VAL A 67 -0.217 -11.658 8.700 1.00 0.00 O ATOM 963 CB VAL A 67 -0.388 -14.543 9.592 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.337 -15.730 9.659 1.00 0.00 C ATOM 965 CG2 VAL A 67 0.996 -14.927 10.095 1.00 0.00 C ATOM 0 H VAL A 67 1.405 -15.020 7.511 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.315 -13.905 7.751 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.780 -13.758 10.239 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.381 -16.103 10.682 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.333 -15.418 9.343 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.978 -16.520 9.000 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.920 -15.312 11.112 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.418 -15.695 9.447 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.643 -14.050 10.086 1.00 0.00 H new ATOM 975 N THR A 68 1.553 -12.534 7.622 1.00 0.00 N ATOM 976 CA THR A 68 2.290 -11.278 7.582 1.00 0.00 C ATOM 977 C THR A 68 2.642 -10.891 6.150 1.00 0.00 C ATOM 978 O THR A 68 2.962 -11.748 5.326 1.00 0.00 O ATOM 979 CB THR A 68 3.585 -11.359 8.413 1.00 0.00 C ATOM 980 OG1 THR A 68 3.307 -11.927 9.698 1.00 0.00 O ATOM 981 CG2 THR A 68 4.205 -9.980 8.585 1.00 0.00 C ATOM 0 H THR A 68 2.037 -13.320 7.189 1.00 0.00 H new ATOM 0 HA THR A 68 1.639 -10.517 8.011 1.00 0.00 H new ATOM 0 HB THR A 68 4.293 -11.994 7.881 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.135 -11.977 10.220 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.118 -10.063 9.175 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.442 -9.563 7.606 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.500 -9.325 9.097 1.00 0.00 H new ATOM 989 N LEU A 69 2.580 -9.596 5.860 1.00 0.00 N ATOM 990 CA LEU A 69 2.894 -9.096 4.526 1.00 0.00 C ATOM 991 C LEU A 69 3.891 -7.944 4.597 1.00 0.00 C ATOM 992 O LEU A 69 3.529 -6.813 4.924 1.00 0.00 O ATOM 993 CB LEU A 69 1.617 -8.637 3.819 1.00 0.00 C ATOM 994 CG LEU A 69 0.882 -9.701 3.003 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.398 -9.131 2.413 1.00 0.00 C ATOM 996 CD2 LEU A 69 1.782 -10.246 1.904 1.00 0.00 C ATOM 0 H LEU A 69 2.315 -8.874 6.530 1.00 0.00 H new ATOM 0 HA LEU A 69 3.346 -9.909 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.931 -8.245 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.870 -7.810 3.156 1.00 0.00 H new ATOM 0 HG LEU A 69 0.616 -10.523 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.908 -9.902 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.049 -8.790 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.156 -8.291 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.243 -11.002 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.079 -9.434 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.670 -10.693 2.350 1.00 0.00 H new ATOM 1008 N THR A 70 5.150 -8.238 4.287 1.00 0.00 N ATOM 1009 CA THR A 70 6.200 -7.228 4.314 1.00 0.00 C ATOM 1010 C THR A 70 6.414 -6.619 2.933 1.00 0.00 C ATOM 1011 O THR A 70 6.695 -7.330 1.967 1.00 0.00 O ATOM 1012 CB THR A 70 7.533 -7.816 4.816 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.364 -8.362 6.129 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.619 -6.751 4.840 1.00 0.00 C ATOM 0 H THR A 70 5.467 -9.168 4.014 1.00 0.00 H new ATOM 0 HA THR A 70 5.872 -6.450 5.004 1.00 0.00 H new ATOM 0 HB THR A 70 7.837 -8.607 4.131 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.215 -8.735 6.440 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.551 -7.189 5.198 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.766 -6.358 3.834 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.320 -5.941 5.506 1.00 0.00 H new ATOM 1022 N LEU A 71 6.280 -5.301 2.845 1.00 0.00 N ATOM 1023 CA LEU A 71 6.460 -4.596 1.581 1.00 0.00 C ATOM 1024 C LEU A 71 7.179 -3.267 1.795 1.00 0.00 C ATOM 1025 O LEU A 71 7.362 -2.824 2.929 1.00 0.00 O ATOM 1026 CB LEU A 71 5.106 -4.354 0.912 1.00 0.00 C ATOM 1027 CG LEU A 71 4.250 -3.238 1.513 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.370 -2.606 0.446 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.402 -3.775 2.657 1.00 0.00 C ATOM 0 H LEU A 71 6.047 -4.698 3.634 1.00 0.00 H new ATOM 0 HA LEU A 71 7.074 -5.219 0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.279 -4.126 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.535 -5.282 0.947 1.00 0.00 H new ATOM 0 HG LEU A 71 4.914 -2.469 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.768 -1.814 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.997 -2.186 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.713 -3.364 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.799 -2.968 3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.747 -4.563 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.052 -4.180 3.433 1.00 0.00 H new ATOM 1041 N THR A 72 7.582 -2.635 0.698 1.00 0.00 N ATOM 1042 CA THR A 72 8.280 -1.357 0.765 1.00 0.00 C ATOM 1043 C THR A 72 7.442 -0.241 0.153 1.00 0.00 C ATOM 1044 O THR A 72 7.172 -0.241 -1.049 1.00 0.00 O ATOM 1045 CB THR A 72 9.638 -1.419 0.042 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.446 -2.459 0.605 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.369 -0.089 0.147 1.00 0.00 C ATOM 0 H THR A 72 7.437 -2.987 -0.248 1.00 0.00 H new ATOM 0 HA THR A 72 8.449 -1.144 1.821 1.00 0.00 H new ATOM 0 HB THR A 72 9.454 -1.632 -1.011 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.307 -2.493 0.139 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.325 -0.158 -0.371 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.765 0.695 -0.309 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.541 0.150 1.197 1.00 0.00 H new ATOM 1055 N VAL A 73 7.033 0.711 0.986 1.00 0.00 N ATOM 1056 CA VAL A 73 6.226 1.835 0.525 1.00 0.00 C ATOM 1057 C VAL A 73 6.750 2.382 -0.798 1.00 0.00 C ATOM 1058 O VAL A 73 7.904 2.795 -0.915 1.00 0.00 O ATOM 1059 CB VAL A 73 6.203 2.972 1.564 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.303 4.105 1.096 1.00 0.00 C ATOM 1061 CG2 VAL A 73 5.751 2.446 2.919 1.00 0.00 C ATOM 0 H VAL A 73 7.247 0.726 1.983 1.00 0.00 H new ATOM 0 HA VAL A 73 5.212 1.460 0.384 1.00 0.00 H new ATOM 0 HB VAL A 73 7.214 3.364 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.299 4.899 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.675 4.498 0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.288 3.731 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.741 3.262 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.749 2.027 2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.440 1.672 3.257 1.00 0.00 H new ATOM 1071 N PRO A 74 5.882 2.385 -1.821 1.00 0.00 N ATOM 1072 CA PRO A 74 6.234 2.880 -3.156 1.00 0.00 C ATOM 1073 C PRO A 74 6.423 4.393 -3.182 1.00 0.00 C ATOM 1074 O PRO A 74 6.128 5.081 -2.206 1.00 0.00 O ATOM 1075 CB PRO A 74 5.032 2.476 -4.012 1.00 0.00 C ATOM 1076 CG PRO A 74 3.897 2.382 -3.052 1.00 0.00 C ATOM 1077 CD PRO A 74 4.491 1.908 -1.754 1.00 0.00 C ATOM 0 HA PRO A 74 7.181 2.470 -3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.833 3.214 -4.789 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.206 1.524 -4.514 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.410 3.349 -2.928 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.139 1.686 -3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.964 2.324 -0.895 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.442 0.823 -1.662 1.00 0.00 H new ATOM 1085 N GLU A 75 6.916 4.903 -4.306 1.00 0.00 N ATOM 1086 CA GLU A 75 7.144 6.336 -4.458 1.00 0.00 C ATOM 1087 C GLU A 75 5.891 7.034 -4.977 1.00 0.00 C ATOM 1088 O GLU A 75 5.202 6.522 -5.859 1.00 0.00 O ATOM 1089 CB GLU A 75 8.314 6.590 -5.411 1.00 0.00 C ATOM 1090 CG GLU A 75 9.672 6.279 -4.804 1.00 0.00 C ATOM 1091 CD GLU A 75 10.101 4.844 -5.038 1.00 0.00 C ATOM 1092 OE1 GLU A 75 10.468 4.513 -6.185 1.00 0.00 O ATOM 1093 OE2 GLU A 75 10.070 4.051 -4.073 1.00 0.00 O ATOM 0 H GLU A 75 7.165 4.347 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 75 7.387 6.745 -3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.179 5.985 -6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.296 7.634 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.418 6.951 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.640 6.474 -3.732 1.00 0.00 H new ATOM 1100 N TYR A 76 5.601 8.206 -4.421 1.00 0.00 N ATOM 1101 CA TYR A 76 4.429 8.974 -4.825 1.00 0.00 C ATOM 1102 C TYR A 76 4.694 9.730 -6.123 1.00 0.00 C ATOM 1103 O TYR A 76 5.822 10.138 -6.398 1.00 0.00 O ATOM 1104 CB TYR A 76 4.033 9.956 -3.721 1.00 0.00 C ATOM 1105 CG TYR A 76 2.700 10.630 -3.960 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.612 9.910 -4.437 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.530 11.985 -3.710 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.393 10.521 -4.658 1.00 0.00 C ATOM 1109 CE2 TYR A 76 1.314 12.605 -3.926 1.00 0.00 C ATOM 1110 CZ TYR A 76 0.249 11.868 -4.400 1.00 0.00 C ATOM 1111 OH TYR A 76 -0.964 12.482 -4.618 1.00 0.00 O ATOM 0 H TYR A 76 6.161 8.644 -3.690 1.00 0.00 H new ATOM 0 HA TYR A 76 3.609 8.276 -4.994 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.997 9.425 -2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.806 10.719 -3.631 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.721 8.855 -4.638 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.363 12.565 -3.340 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.443 9.947 -5.031 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.198 13.660 -3.725 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.608 11.824 -4.954 1.00 0.00 H new ATOM 1121 N SER A 77 3.644 9.912 -6.918 1.00 0.00 N ATOM 1122 CA SER A 77 3.762 10.616 -8.190 1.00 0.00 C ATOM 1123 C SER A 77 3.976 12.110 -7.966 1.00 0.00 C ATOM 1124 O SER A 77 4.927 12.696 -8.480 1.00 0.00 O ATOM 1125 CB SER A 77 2.510 10.391 -9.039 1.00 0.00 C ATOM 1126 OG SER A 77 2.520 11.215 -10.192 1.00 0.00 O ATOM 0 H SER A 77 2.703 9.582 -6.704 1.00 0.00 H new ATOM 0 HA SER A 77 4.628 10.218 -8.719 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.452 9.344 -9.337 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.621 10.603 -8.445 1.00 0.00 H new ATOM 0 HG SER A 77 1.710 11.051 -10.718 1.00 0.00 H new ATOM 1132 N ASN A 78 3.082 12.720 -7.194 1.00 0.00 N ATOM 1133 CA ASN A 78 3.172 14.146 -6.901 1.00 0.00 C ATOM 1134 C ASN A 78 3.803 14.382 -5.533 1.00 0.00 C ATOM 1135 O ASN A 78 3.111 14.416 -4.515 1.00 0.00 O ATOM 1136 CB ASN A 78 1.783 14.787 -6.952 1.00 0.00 C ATOM 1137 CG ASN A 78 1.836 16.250 -7.347 1.00 0.00 C ATOM 1138 OD1 ASN A 78 1.232 17.102 -6.695 1.00 0.00 O ATOM 1139 ND2 ASN A 78 2.559 16.548 -8.420 1.00 0.00 N ATOM 0 H ASN A 78 2.288 12.249 -6.760 1.00 0.00 H new ATOM 0 HA ASN A 78 3.806 14.607 -7.658 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.161 14.244 -7.663 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.307 14.694 -5.976 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.630 17.516 -8.734 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.043 15.809 -8.930 1.00 0.00 H new ATOM 1146 N LYS A 79 5.122 14.546 -5.516 1.00 0.00 N ATOM 1147 CA LYS A 79 5.848 14.781 -4.273 1.00 0.00 C ATOM 1148 C LYS A 79 6.036 16.275 -4.027 1.00 0.00 C ATOM 1149 O LYS A 79 5.859 16.756 -2.908 1.00 0.00 O ATOM 1150 CB LYS A 79 7.210 14.085 -4.315 1.00 0.00 C ATOM 1151 CG LYS A 79 7.118 12.569 -4.341 1.00 0.00 C ATOM 1152 CD LYS A 79 8.413 11.924 -3.878 1.00 0.00 C ATOM 1153 CE LYS A 79 8.631 10.573 -4.542 1.00 0.00 C ATOM 1154 NZ LYS A 79 10.078 10.260 -4.703 1.00 0.00 N ATOM 0 H LYS A 79 5.710 14.520 -6.349 1.00 0.00 H new ATOM 0 HA LYS A 79 5.260 14.367 -3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.754 14.423 -5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.792 14.390 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.299 12.242 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.885 12.235 -5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.251 12.583 -4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.392 11.799 -2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.155 9.794 -3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.147 10.566 -5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.184 9.331 -5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.527 10.989 -5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.535 10.241 -3.769 1.00 0.00 H new ATOM 1168 N ARG A 80 6.394 17.003 -5.080 1.00 0.00 N ATOM 1169 CA ARG A 80 6.606 18.442 -4.978 1.00 0.00 C ATOM 1170 C ARG A 80 5.640 19.063 -3.973 1.00 0.00 C ATOM 1171 O ARG A 80 5.999 19.982 -3.237 1.00 0.00 O ATOM 1172 CB ARG A 80 6.430 19.103 -6.346 1.00 0.00 C ATOM 1173 CG ARG A 80 7.600 18.873 -7.288 1.00 0.00 C ATOM 1174 CD ARG A 80 8.805 19.713 -6.895 1.00 0.00 C ATOM 1175 NE ARG A 80 8.718 21.074 -7.418 1.00 0.00 N ATOM 1176 CZ ARG A 80 8.794 21.371 -8.711 1.00 0.00 C ATOM 1177 NH1 ARG A 80 8.958 20.407 -9.607 1.00 0.00 N ATOM 1178 NH2 ARG A 80 8.706 22.633 -9.109 1.00 0.00 N ATOM 0 H ARG A 80 6.543 16.620 -6.013 1.00 0.00 H new ATOM 0 HA ARG A 80 7.625 18.611 -4.629 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.520 18.722 -6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.292 20.175 -6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.873 17.818 -7.280 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.301 19.118 -8.307 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.884 19.747 -5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.714 19.239 -7.267 1.00 0.00 H new ATOM 0 HE ARG A 80 8.592 21.838 -6.754 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.026 19.435 -9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.016 20.637 -10.599 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.580 23.377 -8.422 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.764 22.860 -10.102 1.00 0.00 H new ATOM 1192 N VAL A 81 4.412 18.555 -3.947 1.00 0.00 N ATOM 1193 CA VAL A 81 3.395 19.058 -3.033 1.00 0.00 C ATOM 1194 C VAL A 81 3.986 19.344 -1.657 1.00 0.00 C ATOM 1195 O VAL A 81 4.777 18.559 -1.134 1.00 0.00 O ATOM 1196 CB VAL A 81 2.231 18.061 -2.883 1.00 0.00 C ATOM 1197 CG1 VAL A 81 1.505 17.884 -4.208 1.00 0.00 C ATOM 1198 CG2 VAL A 81 2.739 16.725 -2.361 1.00 0.00 C ATOM 0 H VAL A 81 4.098 17.794 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 81 3.015 19.985 -3.462 1.00 0.00 H new ATOM 0 HB VAL A 81 1.522 18.463 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.686 17.176 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.107 18.844 -4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.201 17.505 -4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.904 16.032 -2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.469 16.315 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.209 16.869 -1.388 1.00 0.00 H new ATOM 1208 N SER A 82 3.595 20.473 -1.074 1.00 0.00 N ATOM 1209 CA SER A 82 4.089 20.864 0.242 1.00 0.00 C ATOM 1210 C SER A 82 3.261 20.217 1.347 1.00 0.00 C ATOM 1211 O SER A 82 3.710 20.102 2.488 1.00 0.00 O ATOM 1212 CB SER A 82 4.057 22.387 0.389 1.00 0.00 C ATOM 1213 OG SER A 82 4.981 23.004 -0.490 1.00 0.00 O ATOM 0 H SER A 82 2.938 21.133 -1.491 1.00 0.00 H new ATOM 0 HA SER A 82 5.119 20.518 0.335 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.052 22.754 0.181 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.290 22.661 1.418 1.00 0.00 H new ATOM 0 HG SER A 82 4.940 23.977 -0.378 1.00 0.00 H new ATOM 1219 N ARG A 83 2.049 19.796 1.001 1.00 0.00 N ATOM 1220 CA ARG A 83 1.156 19.161 1.963 1.00 0.00 C ATOM 1221 C ARG A 83 1.057 17.660 1.705 1.00 0.00 C ATOM 1222 O ARG A 83 1.278 17.181 0.592 1.00 0.00 O ATOM 1223 CB ARG A 83 -0.235 19.795 1.896 1.00 0.00 C ATOM 1224 CG ARG A 83 -0.293 21.198 2.478 1.00 0.00 C ATOM 1225 CD ARG A 83 -0.202 21.176 3.995 1.00 0.00 C ATOM 1226 NE ARG A 83 0.206 22.469 4.538 1.00 0.00 N ATOM 1227 CZ ARG A 83 0.761 22.622 5.735 1.00 0.00 C ATOM 1228 NH1 ARG A 83 0.975 21.568 6.510 1.00 0.00 N ATOM 1229 NH2 ARG A 83 1.104 23.832 6.158 1.00 0.00 N ATOM 0 H ARG A 83 1.663 19.883 0.061 1.00 0.00 H new ATOM 0 HA ARG A 83 1.569 19.314 2.960 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.560 19.828 0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.941 19.159 2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.523 21.795 2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.222 21.681 2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.170 20.897 4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.511 20.412 4.304 1.00 0.00 H new ATOM 0 HE ARG A 83 0.056 23.300 3.966 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.713 20.636 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.401 21.689 7.429 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.941 24.645 5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.530 23.949 7.077 1.00 0.00 H new ATOM 1243 N PRO A 84 0.716 16.900 2.756 1.00 0.00 N ATOM 1244 CA PRO A 84 0.579 15.443 2.668 1.00 0.00 C ATOM 1245 C PRO A 84 -0.635 15.024 1.846 1.00 0.00 C ATOM 1246 O PRO A 84 -1.632 15.743 1.780 1.00 0.00 O ATOM 1247 CB PRO A 84 0.411 15.014 4.127 1.00 0.00 C ATOM 1248 CG PRO A 84 -0.152 16.211 4.812 1.00 0.00 C ATOM 1249 CD PRO A 84 0.437 17.404 4.111 1.00 0.00 C ATOM 0 HA PRO A 84 1.432 14.982 2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.258 14.158 4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.365 14.719 4.565 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -1.240 16.220 4.750 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.107 16.213 5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.259 18.243 4.092 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.344 17.753 4.605 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.545 13.854 1.220 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.638 13.338 0.404 1.00 0.00 C ATOM 1259 C VAL A 85 -2.233 12.075 1.017 1.00 0.00 C ATOM 1260 O VAL A 85 -1.514 11.247 1.574 1.00 0.00 O ATOM 1261 CB VAL A 85 -1.168 13.028 -1.030 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -2.317 12.474 -1.860 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.581 14.272 -1.679 1.00 0.00 C ATOM 0 H VAL A 85 0.273 13.246 1.263 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.402 14.115 0.369 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.387 12.269 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.967 12.261 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.687 11.556 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.122 13.208 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.254 14.034 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.339 15.055 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.271 14.620 -1.095 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.550 11.936 0.909 1.00 0.00 N ATOM 1274 CA GLN A 86 -4.242 10.774 1.454 1.00 0.00 C ATOM 1275 C GLN A 86 -4.509 9.740 0.365 1.00 0.00 C ATOM 1276 O GLN A 86 -5.431 9.891 -0.437 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.560 11.197 2.105 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.271 10.066 2.830 1.00 0.00 C ATOM 1279 CD GLN A 86 -6.599 8.902 1.915 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -7.288 9.065 0.907 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -6.107 7.719 2.261 1.00 0.00 N ATOM 0 H GLN A 86 -4.159 12.613 0.449 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.600 10.322 2.210 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.364 12.004 2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.222 11.599 1.338 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.644 9.714 3.649 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.192 10.446 3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.541 7.629 3.105 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.295 6.900 1.683 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.695 8.689 0.342 1.00 0.00 N ATOM 1291 CA VAL A 87 -3.843 7.629 -0.649 1.00 0.00 C ATOM 1292 C VAL A 87 -4.336 6.339 -0.003 1.00 0.00 C ATOM 1293 O VAL A 87 -4.253 6.170 1.214 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.515 7.350 -1.376 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -1.980 8.622 -2.017 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.495 6.758 -0.415 1.00 0.00 C ATOM 0 H VAL A 87 -2.927 8.549 0.998 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.580 7.975 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.700 6.623 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.041 8.406 -2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.705 8.999 -2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.810 9.374 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.563 6.567 -0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.312 7.460 0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.879 5.822 -0.008 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.850 5.431 -0.825 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.359 4.156 -0.334 1.00 0.00 C ATOM 1308 C TYR A 88 -4.678 2.989 -1.042 1.00 0.00 C ATOM 1309 O TYR A 88 -4.100 3.151 -2.117 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.873 4.075 -0.537 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.669 4.693 0.591 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -8.003 3.952 1.718 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -8.086 6.017 0.530 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -8.730 4.511 2.751 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.813 6.585 1.559 1.00 0.00 C ATOM 1316 CZ TYR A 88 -9.132 5.828 2.667 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.857 6.390 3.693 1.00 0.00 O ATOM 0 H TYR A 88 -4.925 5.554 -1.835 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.137 4.092 0.731 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.133 4.574 -1.470 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.161 3.029 -0.644 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.689 2.921 1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.838 6.612 -0.336 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.982 3.920 3.619 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.130 7.616 1.496 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.059 7.324 3.477 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.750 1.811 -0.430 1.00 0.00 N ATOM 1328 CA PHE A 89 -4.140 0.615 -0.999 1.00 0.00 C ATOM 1329 C PHE A 89 -4.911 -0.636 -0.590 1.00 0.00 C ATOM 1330 O PHE A 89 -5.537 -0.674 0.470 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.681 0.498 -0.552 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.513 0.468 0.940 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.816 -0.675 1.662 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -2.050 1.582 1.622 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -2.663 -0.706 3.035 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.894 1.558 2.995 1.00 0.00 C ATOM 1337 CZ PHE A 89 -2.200 0.412 3.702 1.00 0.00 C ATOM 0 H PHE A 89 -5.225 1.659 0.460 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.174 0.702 -2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.251 -0.409 -0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.117 1.338 -0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.176 -1.552 1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.808 2.480 1.074 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.905 -1.603 3.586 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.533 2.434 3.514 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.078 0.390 4.775 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.861 -1.658 -1.437 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.557 -2.910 -1.166 1.00 0.00 C ATOM 1349 C TYR A 90 -4.695 -4.108 -1.556 1.00 0.00 C ATOM 1350 O TYR A 90 -3.621 -3.952 -2.137 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.885 -2.955 -1.924 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.733 -2.799 -3.420 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.597 -1.543 -3.998 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -6.725 -3.909 -4.256 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.460 -1.396 -5.364 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -6.587 -3.772 -5.624 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.455 -2.513 -6.173 1.00 0.00 C ATOM 1358 OH TYR A 90 -6.316 -2.372 -7.535 1.00 0.00 O ATOM 0 H TYR A 90 -4.346 -1.644 -2.317 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.756 -2.961 -0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.382 -3.902 -1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.535 -2.165 -1.549 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.598 -0.666 -3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.828 -4.896 -3.829 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.357 -0.412 -5.797 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.582 -4.645 -6.260 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.331 -3.256 -7.959 1.00 0.00 H new ATOM 1368 N VAL A 91 -5.176 -5.304 -1.232 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.452 -6.530 -1.550 1.00 0.00 C ATOM 1370 C VAL A 91 -5.278 -7.436 -2.455 1.00 0.00 C ATOM 1371 O VAL A 91 -6.362 -7.884 -2.081 1.00 0.00 O ATOM 1372 CB VAL A 91 -4.073 -7.304 -0.273 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -3.361 -8.601 -0.627 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -3.210 -6.443 0.636 1.00 0.00 C ATOM 0 H VAL A 91 -6.063 -5.450 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.541 -6.235 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.988 -7.554 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.101 -9.134 0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.018 -9.223 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.453 -8.377 -1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.952 -7.006 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.298 -6.160 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.761 -5.545 0.917 1.00 0.00 H new ATOM 1384 N SER A 92 -4.757 -7.704 -3.648 1.00 0.00 N ATOM 1385 CA SER A 92 -5.448 -8.556 -4.610 1.00 0.00 C ATOM 1386 C SER A 92 -5.040 -10.015 -4.434 1.00 0.00 C ATOM 1387 O SER A 92 -3.878 -10.373 -4.622 1.00 0.00 O ATOM 1388 CB SER A 92 -5.145 -8.098 -6.038 1.00 0.00 C ATOM 1389 OG SER A 92 -5.904 -8.834 -6.981 1.00 0.00 O ATOM 0 H SER A 92 -3.859 -7.344 -3.972 1.00 0.00 H new ATOM 0 HA SER A 92 -6.520 -8.472 -4.429 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.367 -7.036 -6.137 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.082 -8.222 -6.245 1.00 0.00 H new ATOM 0 HG SER A 92 -5.694 -8.521 -7.886 1.00 0.00 H new ATOM 1395 N ASN A 93 -6.006 -10.854 -4.073 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.748 -12.275 -3.871 1.00 0.00 C ATOM 1397 C ASN A 93 -6.819 -13.124 -4.549 1.00 0.00 C ATOM 1398 O ASN A 93 -7.937 -13.246 -4.050 1.00 0.00 O ATOM 1399 CB ASN A 93 -5.696 -12.598 -2.376 1.00 0.00 C ATOM 1400 CG ASN A 93 -4.490 -11.982 -1.694 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -3.903 -11.022 -2.193 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.115 -12.534 -0.545 1.00 0.00 N ATOM 0 H ASN A 93 -6.974 -10.574 -3.914 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.784 -12.511 -4.321 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.606 -12.236 -1.897 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.674 -13.679 -2.241 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.311 -12.163 -0.039 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.631 -13.329 -0.169 1.00 0.00 H new ATOM 1409 N GLY A 94 -6.469 -13.708 -5.691 1.00 0.00 N ATOM 1410 CA GLY A 94 -7.411 -14.539 -6.419 1.00 0.00 C ATOM 1411 C GLY A 94 -8.124 -13.778 -7.519 1.00 0.00 C ATOM 1412 O GLY A 94 -7.520 -12.953 -8.204 1.00 0.00 O ATOM 0 H GLY A 94 -5.550 -13.621 -6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.883 -15.388 -6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.147 -14.943 -5.724 1.00 0.00 H new ATOM 1416 N ARG A 95 -9.412 -14.058 -7.690 1.00 0.00 N ATOM 1417 CA ARG A 95 -10.207 -13.396 -8.718 1.00 0.00 C ATOM 1418 C ARG A 95 -11.160 -12.379 -8.096 1.00 0.00 C ATOM 1419 O ARG A 95 -10.947 -11.171 -8.198 1.00 0.00 O ATOM 1420 CB ARG A 95 -10.999 -14.427 -9.523 1.00 0.00 C ATOM 1421 CG ARG A 95 -10.195 -15.076 -10.639 1.00 0.00 C ATOM 1422 CD ARG A 95 -11.102 -15.725 -11.673 1.00 0.00 C ATOM 1423 NE ARG A 95 -11.874 -14.737 -12.421 1.00 0.00 N ATOM 1424 CZ ARG A 95 -12.593 -15.029 -13.499 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -12.640 -16.274 -13.952 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -13.269 -14.074 -14.126 1.00 0.00 N ATOM 0 H ARG A 95 -9.927 -14.738 -7.131 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.526 -12.869 -9.386 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.360 -15.203 -8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -11.877 -13.944 -9.952 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.569 -14.326 -11.122 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.526 -15.826 -10.218 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.500 -16.314 -12.365 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.783 -16.416 -11.175 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.860 -13.770 -12.098 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.123 -17.011 -13.472 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.193 -16.495 -14.780 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.237 -13.115 -13.780 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.821 -14.299 -14.954 1.00 0.00 H new ATOM 1440 N ARG A 96 -12.212 -12.877 -7.454 1.00 0.00 N ATOM 1441 CA ARG A 96 -13.198 -12.013 -6.817 1.00 0.00 C ATOM 1442 C ARG A 96 -12.989 -11.968 -5.307 1.00 0.00 C ATOM 1443 O ARG A 96 -13.945 -11.861 -4.539 1.00 0.00 O ATOM 1444 CB ARG A 96 -14.614 -12.501 -7.133 1.00 0.00 C ATOM 1445 CG ARG A 96 -15.693 -11.472 -6.835 1.00 0.00 C ATOM 1446 CD ARG A 96 -16.994 -11.808 -7.547 1.00 0.00 C ATOM 1447 NE ARG A 96 -18.159 -11.315 -6.818 1.00 0.00 N ATOM 1448 CZ ARG A 96 -19.358 -11.158 -7.369 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -19.548 -11.453 -8.647 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -20.370 -10.705 -6.640 1.00 0.00 N ATOM 0 H ARG A 96 -12.403 -13.875 -7.361 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.071 -11.005 -7.213 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -14.668 -12.777 -8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -14.815 -13.404 -6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -15.867 -11.426 -5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -15.351 -10.485 -7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -16.982 -11.375 -8.547 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -17.073 -12.888 -7.668 1.00 0.00 H new ATOM 0 HE ARG A 96 -18.046 -11.078 -5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -18.773 -11.802 -9.211 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -20.470 -11.331 -9.067 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -20.228 -10.477 -5.656 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -21.290 -10.585 -7.064 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.731 -12.053 -4.886 1.00 0.00 N ATOM 1465 CA LYS A 97 -11.394 -12.021 -3.468 1.00 0.00 C ATOM 1466 C LYS A 97 -10.299 -10.997 -3.192 1.00 0.00 C ATOM 1467 O LYS A 97 -9.110 -11.313 -3.251 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.942 -13.406 -3.000 1.00 0.00 C ATOM 1469 CG LYS A 97 -11.963 -14.500 -3.259 1.00 0.00 C ATOM 1470 CD LYS A 97 -11.355 -15.882 -3.090 1.00 0.00 C ATOM 1471 CE LYS A 97 -11.481 -16.375 -1.656 1.00 0.00 C ATOM 1472 NZ LYS A 97 -11.150 -17.821 -1.536 1.00 0.00 N ATOM 0 H LYS A 97 -10.928 -12.145 -5.508 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.286 -11.730 -2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.010 -13.664 -3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.727 -13.367 -1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.803 -14.385 -2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.359 -14.397 -4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.850 -16.583 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.303 -15.855 -3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.818 -15.796 -1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.497 -16.204 -1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.544 -18.195 -0.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.557 -18.338 -2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.117 -17.942 -1.534 1.00 0.00 H new ATOM 1486 N ARG A 98 -10.707 -9.769 -2.887 1.00 0.00 N ATOM 1487 CA ARG A 98 -9.759 -8.698 -2.601 1.00 0.00 C ATOM 1488 C ARG A 98 -9.878 -8.241 -1.150 1.00 0.00 C ATOM 1489 O ARG A 98 -10.717 -8.737 -0.399 1.00 0.00 O ATOM 1490 CB ARG A 98 -9.996 -7.514 -3.541 1.00 0.00 C ATOM 1491 CG ARG A 98 -9.675 -7.818 -4.995 1.00 0.00 C ATOM 1492 CD ARG A 98 -10.463 -6.922 -5.939 1.00 0.00 C ATOM 1493 NE ARG A 98 -9.971 -5.548 -5.927 1.00 0.00 N ATOM 1494 CZ ARG A 98 -10.519 -4.565 -6.633 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -11.572 -4.804 -7.402 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -10.014 -3.339 -6.570 1.00 0.00 N ATOM 0 H ARG A 98 -11.687 -9.491 -2.832 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.752 -9.084 -2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.038 -7.203 -3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -9.387 -6.672 -3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.608 -7.682 -5.169 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.903 -8.862 -5.208 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.402 -7.320 -6.952 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.515 -6.933 -5.655 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.162 -5.331 -5.345 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.964 -5.744 -7.453 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.991 -4.047 -7.943 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.204 -3.151 -5.979 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.436 -2.585 -7.113 1.00 0.00 H new ATOM 1510 N SER A 99 -9.032 -7.292 -0.763 1.00 0.00 N ATOM 1511 CA SER A 99 -9.038 -6.770 0.599 1.00 0.00 C ATOM 1512 C SER A 99 -9.502 -5.317 0.622 1.00 0.00 C ATOM 1513 O SER A 99 -9.388 -4.586 -0.363 1.00 0.00 O ATOM 1514 CB SER A 99 -7.643 -6.882 1.217 1.00 0.00 C ATOM 1515 OG SER A 99 -6.875 -5.720 0.957 1.00 0.00 O ATOM 0 H SER A 99 -8.333 -6.869 -1.374 1.00 0.00 H new ATOM 0 HA SER A 99 -9.737 -7.365 1.187 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.730 -7.031 2.293 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.133 -7.757 0.814 1.00 0.00 H new ATOM 0 HG SER A 99 -5.989 -5.816 1.364 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.039 -4.886 1.773 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.530 -3.517 1.954 1.00 0.00 C ATOM 1523 C PRO A 100 -9.400 -2.494 1.984 1.00 0.00 C ATOM 1524 O PRO A 100 -8.350 -2.731 2.584 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.240 -3.571 3.309 1.00 0.00 C ATOM 1526 CG PRO A 100 -10.582 -4.693 4.036 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.206 -5.702 2.987 1.00 0.00 C ATOM 0 HA PRO A 100 -11.174 -3.203 1.132 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.132 -2.631 3.850 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.309 -3.749 3.189 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.701 -4.345 4.576 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.256 -5.129 4.773 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.288 -6.228 3.247 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -10.981 -6.457 2.860 1.00 0.00 H new ATOM 1535 N THR A 101 -9.620 -1.356 1.335 1.00 0.00 N ATOM 1536 CA THR A 101 -8.620 -0.297 1.287 1.00 0.00 C ATOM 1537 C THR A 101 -8.381 0.296 2.671 1.00 0.00 C ATOM 1538 O THR A 101 -9.305 0.410 3.475 1.00 0.00 O ATOM 1539 CB THR A 101 -9.039 0.829 0.324 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.310 1.361 0.715 1.00 0.00 O ATOM 1541 CG2 THR A 101 -9.116 0.317 -1.106 1.00 0.00 C ATOM 0 H THR A 101 -10.483 -1.144 0.835 1.00 0.00 H new ATOM 0 HA THR A 101 -7.697 -0.750 0.924 1.00 0.00 H new ATOM 0 HB THR A 101 -8.286 1.616 0.371 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.568 2.078 0.098 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.414 1.130 -1.768 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.140 -0.060 -1.411 1.00 0.00 H new ATOM 0 HG23 THR A 101 -9.850 -0.487 -1.166 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.135 0.673 2.941 1.00 0.00 N ATOM 1550 CA GLN A 102 -6.776 1.255 4.229 1.00 0.00 C ATOM 1551 C GLN A 102 -6.439 2.735 4.083 1.00 0.00 C ATOM 1552 O GLN A 102 -5.801 3.144 3.113 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.588 0.507 4.837 1.00 0.00 C ATOM 1554 CG GLN A 102 -5.982 -0.754 5.587 1.00 0.00 C ATOM 1555 CD GLN A 102 -6.559 -1.819 4.676 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -5.909 -2.261 3.728 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -7.787 -2.238 4.958 1.00 0.00 N ATOM 0 H GLN A 102 -6.358 0.586 2.286 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.635 1.161 4.894 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.890 0.244 4.042 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.059 1.174 5.518 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.108 -1.155 6.100 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.714 -0.502 6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.290 -1.845 5.753 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.227 -2.953 4.379 1.00 0.00 H new ATOM 1566 N SER A 103 -6.874 3.534 5.052 1.00 0.00 N ATOM 1567 CA SER A 103 -6.622 4.971 5.029 1.00 0.00 C ATOM 1568 C SER A 103 -5.157 5.270 5.329 1.00 0.00 C ATOM 1569 O SER A 103 -4.674 5.023 6.435 1.00 0.00 O ATOM 1570 CB SER A 103 -7.519 5.683 6.044 1.00 0.00 C ATOM 1571 OG SER A 103 -7.162 5.336 7.371 1.00 0.00 O ATOM 0 H SER A 103 -7.402 3.211 5.863 1.00 0.00 H new ATOM 0 HA SER A 103 -6.852 5.340 4.030 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.437 6.762 5.912 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.561 5.418 5.863 1.00 0.00 H new ATOM 0 HG SER A 103 -6.281 4.906 7.371 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.454 5.805 4.336 1.00 0.00 N ATOM 1578 CA PHE A 104 -3.042 6.138 4.492 1.00 0.00 C ATOM 1579 C PHE A 104 -2.775 7.581 4.073 1.00 0.00 C ATOM 1580 O PHE A 104 -3.622 8.226 3.455 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.177 5.186 3.664 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.789 5.008 4.210 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.550 4.135 5.259 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.276 5.714 3.674 1.00 0.00 C ATOM 1585 CE1 PHE A 104 0.726 3.971 5.764 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.554 5.553 4.175 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.779 4.680 5.220 1.00 0.00 C ATOM 0 H PHE A 104 -4.838 6.017 3.415 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.783 6.030 5.545 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.667 4.213 3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.112 5.562 2.643 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.370 3.577 5.687 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.106 6.398 2.856 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.900 3.289 6.583 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.376 6.110 3.749 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.777 4.551 5.612 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.592 8.080 4.415 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.212 9.446 4.077 1.00 0.00 C ATOM 1599 C ARG A 105 0.305 9.584 3.993 1.00 0.00 C ATOM 1600 O ARG A 105 1.034 9.056 4.832 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.767 10.424 5.114 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.531 11.884 4.763 1.00 0.00 C ATOM 1603 CD ARG A 105 -1.933 12.804 5.905 1.00 0.00 C ATOM 1604 NE ARG A 105 -1.525 12.274 7.204 1.00 0.00 N ATOM 1605 CZ ARG A 105 -2.254 11.416 7.909 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -3.420 10.992 7.444 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -1.815 10.980 9.083 1.00 0.00 N ATOM 0 H ARG A 105 -0.880 7.558 4.926 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.635 9.683 3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.838 10.254 5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.310 10.213 6.081 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.478 12.036 4.525 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -2.100 12.141 3.870 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.482 13.785 5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -3.014 12.945 5.894 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.632 12.579 7.591 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.761 11.324 6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.977 10.333 7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -0.918 11.304 9.444 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.375 10.321 9.624 1.00 0.00 H new ATOM 1621 N PHE A 106 0.774 10.298 2.974 1.00 0.00 N ATOM 1622 CA PHE A 106 2.204 10.504 2.779 1.00 0.00 C ATOM 1623 C PHE A 106 2.612 11.913 3.199 1.00 0.00 C ATOM 1624 O PHE A 106 2.011 12.899 2.773 1.00 0.00 O ATOM 1625 CB PHE A 106 2.580 10.267 1.315 1.00 0.00 C ATOM 1626 CG PHE A 106 2.462 8.831 0.891 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.939 7.814 1.701 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.874 8.499 -0.319 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.832 6.492 1.314 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.764 7.179 -0.712 1.00 0.00 C ATOM 1631 CZ PHE A 106 2.244 6.174 0.105 1.00 0.00 C ATOM 0 H PHE A 106 0.184 10.743 2.271 1.00 0.00 H new ATOM 0 HA PHE A 106 2.738 9.788 3.404 1.00 0.00 H new ATOM 0 HB2 PHE A 106 1.939 10.879 0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.604 10.603 1.152 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.400 8.057 2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.497 9.281 -0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 106 3.207 5.709 1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.303 6.933 -1.657 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.160 5.142 -0.201 1.00 0.00 H new ATOM 1641 N LEU A 107 3.638 11.999 4.039 1.00 0.00 N ATOM 1642 CA LEU A 107 4.128 13.287 4.518 1.00 0.00 C ATOM 1643 C LEU A 107 5.218 13.831 3.601 1.00 0.00 C ATOM 1644 O LEU A 107 6.051 13.090 3.078 1.00 0.00 O ATOM 1645 CB LEU A 107 4.667 13.151 5.944 1.00 0.00 C ATOM 1646 CG LEU A 107 3.798 12.351 6.916 1.00 0.00 C ATOM 1647 CD1 LEU A 107 4.553 12.083 8.209 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.497 13.088 7.199 1.00 0.00 C ATOM 0 H LEU A 107 4.146 11.193 4.402 1.00 0.00 H new ATOM 0 HA LEU A 107 3.294 13.989 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.650 12.682 5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.810 14.151 6.354 1.00 0.00 H new ATOM 0 HG LEU A 107 3.557 11.393 6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.920 11.513 8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.457 11.514 7.991 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.825 13.030 8.675 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.891 12.504 7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.718 14.060 7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.948 13.228 6.268 1.00 0.00 H new ATOM 1660 N PRO A 108 5.216 15.157 3.401 1.00 0.00 N ATOM 1661 CA PRO A 108 6.201 15.831 2.548 1.00 0.00 C ATOM 1662 C PRO A 108 7.597 15.826 3.160 1.00 0.00 C ATOM 1663 O PRO A 108 7.777 16.182 4.325 1.00 0.00 O ATOM 1664 CB PRO A 108 5.664 17.261 2.449 1.00 0.00 C ATOM 1665 CG PRO A 108 4.851 17.447 3.683 1.00 0.00 C ATOM 1666 CD PRO A 108 4.254 16.102 3.992 1.00 0.00 C ATOM 0 HA PRO A 108 6.313 15.336 1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.476 17.986 2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.059 17.395 1.552 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.470 17.798 4.509 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.072 18.194 3.528 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.147 15.947 5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.262 15.992 3.553 1.00 0.00 H new ATOM 1674 N VAL A 109 8.584 15.422 2.367 1.00 0.00 N ATOM 1675 CA VAL A 109 9.966 15.373 2.831 1.00 0.00 C ATOM 1676 C VAL A 109 10.608 16.755 2.792 1.00 0.00 C ATOM 1677 O VAL A 109 11.494 17.061 3.591 1.00 0.00 O ATOM 1678 CB VAL A 109 10.809 14.403 1.981 1.00 0.00 C ATOM 1679 CG1 VAL A 109 12.256 14.404 2.448 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.223 13.001 2.035 1.00 0.00 C ATOM 0 H VAL A 109 8.453 15.124 1.400 1.00 0.00 H new ATOM 0 HA VAL A 109 9.942 15.016 3.861 1.00 0.00 H new ATOM 0 HB VAL A 109 10.787 14.741 0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 109 12.836 13.713 1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.669 15.408 2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.302 14.091 3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.831 12.329 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.213 12.650 3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.204 13.017 1.648 1.00 0.00 H new ATOM 1690 N ILE A 110 10.155 17.586 1.859 1.00 0.00 N ATOM 1691 CA ILE A 110 10.684 18.936 1.717 1.00 0.00 C ATOM 1692 C ILE A 110 11.076 19.518 3.072 1.00 0.00 C ATOM 1693 O ILE A 110 10.266 19.558 3.999 1.00 0.00 O ATOM 1694 CB ILE A 110 9.664 19.873 1.044 1.00 0.00 C ATOM 1695 CG1 ILE A 110 9.321 19.366 -0.358 1.00 0.00 C ATOM 1696 CG2 ILE A 110 10.208 21.292 0.982 1.00 0.00 C ATOM 1697 CD1 ILE A 110 8.091 20.016 -0.951 1.00 0.00 C ATOM 0 H ILE A 110 9.423 17.347 1.190 1.00 0.00 H new ATOM 0 HA ILE A 110 11.569 18.863 1.085 1.00 0.00 H new ATOM 0 HB ILE A 110 8.752 19.881 1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.170 19.544 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.169 18.287 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.475 21.942 0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 110 10.406 21.650 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 110 11.133 21.302 0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.908 19.609 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.230 19.816 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 110 8.247 21.092 -1.023 1.00 0.00 H new ATOM 1709 N CYS A 111 12.321 19.969 3.178 1.00 0.00 N ATOM 1710 CA CYS A 111 12.820 20.550 4.419 1.00 0.00 C ATOM 1711 C CYS A 111 13.433 21.924 4.168 1.00 0.00 C ATOM 1712 O CYS A 111 14.153 22.126 3.190 1.00 0.00 O ATOM 1713 CB CYS A 111 13.856 19.625 5.059 1.00 0.00 C ATOM 1714 SG CYS A 111 14.374 20.131 6.716 1.00 0.00 S ATOM 0 H CYS A 111 13.003 19.943 2.420 1.00 0.00 H new ATOM 0 HA CYS A 111 11.978 20.667 5.101 1.00 0.00 H new ATOM 0 HB2 CYS A 111 13.445 18.617 5.111 1.00 0.00 H new ATOM 0 HB3 CYS A 111 14.733 19.579 4.414 1.00 0.00 H new ATOM 0 HG CYS A 111 14.825 21.350 6.676 1.00 0.00 H new ATOM 1720 N LYS A 112 13.142 22.867 5.057 1.00 0.00 N ATOM 1721 CA LYS A 112 13.664 24.223 4.934 1.00 0.00 C ATOM 1722 C LYS A 112 15.063 24.325 5.533 1.00 0.00 C ATOM 1723 O LYS A 112 15.478 23.466 6.311 1.00 0.00 O ATOM 1724 CB LYS A 112 12.727 25.217 5.625 1.00 0.00 C ATOM 1725 CG LYS A 112 11.309 25.194 5.082 1.00 0.00 C ATOM 1726 CD LYS A 112 11.129 26.189 3.948 1.00 0.00 C ATOM 1727 CE LYS A 112 11.381 25.541 2.594 1.00 0.00 C ATOM 1728 NZ LYS A 112 10.433 24.424 2.329 1.00 0.00 N ATOM 0 H LYS A 112 12.547 22.717 5.872 1.00 0.00 H new ATOM 0 HA LYS A 112 13.724 24.467 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.702 24.998 6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.133 26.223 5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.070 24.191 4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.608 25.424 5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.118 26.595 3.976 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.813 27.026 4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.287 26.291 1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.404 25.166 2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.333 24.289 1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.797 23.550 2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.505 24.651 2.740 1.00 0.00 H new ATOM 1742 N GLU A 113 15.783 25.381 5.168 1.00 0.00 N ATOM 1743 CA GLU A 113 17.135 25.594 5.672 1.00 0.00 C ATOM 1744 C GLU A 113 17.564 27.046 5.481 1.00 0.00 C ATOM 1745 O GLU A 113 17.236 27.673 4.475 1.00 0.00 O ATOM 1746 CB GLU A 113 18.120 24.662 4.962 1.00 0.00 C ATOM 1747 CG GLU A 113 19.521 24.698 5.548 1.00 0.00 C ATOM 1748 CD GLU A 113 19.686 23.756 6.725 1.00 0.00 C ATOM 1749 OE1 GLU A 113 19.414 24.179 7.867 1.00 0.00 O ATOM 1750 OE2 GLU A 113 20.086 22.594 6.502 1.00 0.00 O ATOM 0 H GLU A 113 15.453 26.102 4.526 1.00 0.00 H new ATOM 0 HA GLU A 113 17.138 25.370 6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.741 23.641 5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.169 24.934 3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 113 20.242 24.435 4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 113 19.752 25.715 5.866 1.00 0.00 H new ATOM 1757 N GLU A 114 18.298 27.572 6.457 1.00 0.00 N ATOM 1758 CA GLU A 114 18.771 28.950 6.397 1.00 0.00 C ATOM 1759 C GLU A 114 19.233 29.307 4.987 1.00 0.00 C ATOM 1760 O GLU A 114 20.057 30.202 4.802 1.00 0.00 O ATOM 1761 CB GLU A 114 19.915 29.164 7.390 1.00 0.00 C ATOM 1762 CG GLU A 114 19.478 29.104 8.844 1.00 0.00 C ATOM 1763 CD GLU A 114 20.440 29.820 9.772 1.00 0.00 C ATOM 1764 OE1 GLU A 114 21.661 29.586 9.659 1.00 0.00 O ATOM 1765 OE2 GLU A 114 19.970 30.616 10.613 1.00 0.00 O ATOM 0 H GLU A 114 18.577 27.066 7.297 1.00 0.00 H new ATOM 0 HA GLU A 114 17.940 29.603 6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 114 20.681 28.407 7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 114 20.376 30.133 7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.487 29.548 8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.391 28.062 9.151 1.00 0.00 H new TER 1772 GLU A 114