USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 944 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 46 HIS : no HD1:sc= -0.681 K(o=1.5,f=2.1) USER MOD Set 1.2: A 48 THR OG1 : rot 83:sc= 1.2 USER MOD Set 1.3: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.4: A 83 HIS : no HE2:sc= 0.988 K(o=1.5,f=-3!) USER MOD Single : A 11 SER OG : rot 58:sc= 1.12 USER MOD Single : A 15 ASN : amide:sc= 0.399 K(o=0.4,f=-4.7!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -125:sc= 1.23 USER MOD Single : A 24 ASN : amide:sc= 0.375 K(o=0.38,f=-4.9!) USER MOD Single : A 37 THR OG1 : rot 81:sc= 0.658 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 140:sc= 0.123 (180deg=-1.26!) USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= 1.13 (180deg=0.76) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -112:sc= 0.457 (180deg=-0.0366!) USER MOD Single : A 78 LYS NZ :NH3+ 162:sc= 1.27 (180deg=0.992) USER MOD Single : A 82 TYR OH : rot 37:sc= 1.24 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= 0.242 (180deg=-0.599!) USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= 0.811 (180deg=-0.24!) USER MOD Single : A 109 LYS NZ :NH3+ 158:sc= -0.0622 (180deg=-0.377) USER MOD Single : A 112 LYS NZ :NH3+ -99:sc= 0.727 (180deg=-1.44!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 4.469 -1.963 11.003 1.00 1.45 N ATOM 56 CA GLU A 5 3.588 -2.770 10.177 1.00 1.26 C ATOM 57 C GLU A 5 2.332 -1.922 9.945 1.00 0.91 C ATOM 58 O GLU A 5 2.134 -0.901 10.616 1.00 1.56 O ATOM 59 CB GLU A 5 3.277 -4.118 10.852 1.00 2.45 C ATOM 60 CG GLU A 5 2.902 -5.189 9.824 1.00 4.05 C ATOM 61 CD GLU A 5 2.391 -6.427 10.541 1.00 5.38 C ATOM 62 OE1 GLU A 5 3.234 -7.271 10.908 1.00 5.96 O ATOM 63 OE2 GLU A 5 1.160 -6.489 10.735 1.00 6.42 O ATOM 0 HA GLU A 5 4.050 -3.029 9.224 1.00 1.26 H new ATOM 0 HB2 GLU A 5 4.145 -4.449 11.423 1.00 2.45 H new ATOM 0 HB3 GLU A 5 2.459 -3.991 11.561 1.00 2.45 H new ATOM 0 HG2 GLU A 5 2.137 -4.806 9.148 1.00 4.05 H new ATOM 0 HG3 GLU A 5 3.769 -5.442 9.214 1.00 4.05 H new ATOM 70 N GLY A 6 1.508 -2.304 8.973 1.00 0.92 N ATOM 71 CA GLY A 6 0.356 -1.523 8.526 1.00 0.92 C ATOM 72 C GLY A 6 -0.945 -2.267 8.724 1.00 0.69 C ATOM 73 O GLY A 6 -1.012 -3.320 9.349 1.00 0.76 O ATOM 0 H GLY A 6 1.623 -3.180 8.464 1.00 0.92 H new ATOM 0 HA2 GLY A 6 0.322 -0.581 9.074 1.00 0.92 H new ATOM 0 HA3 GLY A 6 0.474 -1.274 7.471 1.00 0.92 H new ATOM 77 N TRP A 7 -2.003 -1.689 8.166 1.00 0.72 N ATOM 78 CA TRP A 7 -3.285 -2.362 8.004 1.00 0.56 C ATOM 79 C TRP A 7 -3.855 -2.147 6.592 1.00 0.48 C ATOM 80 O TRP A 7 -3.412 -1.269 5.854 1.00 0.53 O ATOM 81 CB TRP A 7 -4.237 -1.893 9.107 1.00 0.81 C ATOM 82 CG TRP A 7 -4.552 -0.431 9.096 1.00 0.78 C ATOM 83 CD1 TRP A 7 -5.649 0.118 8.539 1.00 0.78 C ATOM 84 CD2 TRP A 7 -3.790 0.685 9.660 1.00 1.10 C ATOM 85 NE1 TRP A 7 -5.649 1.479 8.752 1.00 1.06 N ATOM 86 CE2 TRP A 7 -4.522 1.889 9.431 1.00 1.30 C ATOM 87 CE3 TRP A 7 -2.565 0.806 10.356 1.00 1.41 C ATOM 88 CZ2 TRP A 7 -4.075 3.140 9.881 1.00 1.79 C ATOM 89 CZ3 TRP A 7 -2.096 2.060 10.797 1.00 1.86 C ATOM 90 CH2 TRP A 7 -2.851 3.225 10.564 1.00 2.05 C ATOM 0 H TRP A 7 -1.994 -0.733 7.811 1.00 0.72 H new ATOM 0 HA TRP A 7 -3.151 -3.439 8.106 1.00 0.56 H new ATOM 0 HB2 TRP A 7 -5.170 -2.450 9.021 1.00 0.81 H new ATOM 0 HB3 TRP A 7 -3.802 -2.147 10.073 1.00 0.81 H new ATOM 0 HD1 TRP A 7 -6.414 -0.427 8.006 1.00 0.78 H new ATOM 0 HE1 TRP A 7 -6.392 2.106 8.445 1.00 1.06 H new ATOM 0 HE3 TRP A 7 -1.978 -0.079 10.553 1.00 1.41 H new ATOM 0 HZ2 TRP A 7 -4.665 4.027 9.704 1.00 1.79 H new ATOM 0 HZ3 TRP A 7 -1.152 2.127 11.317 1.00 1.86 H new ATOM 0 HH2 TRP A 7 -2.490 4.182 10.910 1.00 2.05 H new ATOM 101 N VAL A 8 -4.825 -2.975 6.198 1.00 0.63 N ATOM 102 CA VAL A 8 -5.590 -2.844 4.938 1.00 0.72 C ATOM 103 C VAL A 8 -6.951 -2.205 5.240 1.00 0.83 C ATOM 104 O VAL A 8 -7.572 -2.555 6.236 1.00 0.97 O ATOM 105 CB VAL A 8 -5.785 -4.200 4.205 1.00 0.95 C ATOM 106 CG1 VAL A 8 -6.322 -3.985 2.778 1.00 1.40 C ATOM 107 CG2 VAL A 8 -4.479 -5.008 4.110 1.00 0.90 C ATOM 0 H VAL A 8 -5.114 -3.779 6.755 1.00 0.63 H new ATOM 0 HA VAL A 8 -5.012 -2.209 4.266 1.00 0.72 H new ATOM 0 HB VAL A 8 -6.505 -4.761 4.800 1.00 0.95 H new ATOM 0 HG11 VAL A 8 -6.449 -4.950 2.288 1.00 1.40 H new ATOM 0 HG12 VAL A 8 -7.283 -3.472 2.824 1.00 1.40 H new ATOM 0 HG13 VAL A 8 -5.615 -3.380 2.210 1.00 1.40 H new ATOM 0 HG21 VAL A 8 -4.669 -5.947 3.589 1.00 0.90 H new ATOM 0 HG22 VAL A 8 -3.734 -4.432 3.560 1.00 0.90 H new ATOM 0 HG23 VAL A 8 -4.107 -5.218 5.113 1.00 0.90 H new ATOM 117 N ARG A 9 -7.415 -1.287 4.387 1.00 0.86 N ATOM 118 CA ARG A 9 -8.670 -0.534 4.534 1.00 1.06 C ATOM 119 C ARG A 9 -9.901 -1.452 4.633 1.00 1.12 C ATOM 120 O ARG A 9 -10.323 -2.045 3.637 1.00 2.14 O ATOM 121 CB ARG A 9 -8.782 0.466 3.369 1.00 1.42 C ATOM 122 CG ARG A 9 -10.060 1.333 3.309 1.00 2.00 C ATOM 123 CD ARG A 9 -11.185 0.704 2.464 1.00 3.34 C ATOM 124 NE ARG A 9 -12.192 1.698 2.037 1.00 3.94 N ATOM 125 CZ ARG A 9 -12.912 1.652 0.918 1.00 5.20 C ATOM 126 NH1 ARG A 9 -12.874 0.621 0.106 1.00 6.14 N ATOM 127 NH2 ARG A 9 -13.692 2.652 0.567 1.00 5.95 N ATOM 0 H ARG A 9 -6.907 -1.036 3.539 1.00 0.86 H new ATOM 0 HA ARG A 9 -8.647 0.012 5.477 1.00 1.06 H new ATOM 0 HB2 ARG A 9 -7.921 1.134 3.412 1.00 1.42 H new ATOM 0 HB3 ARG A 9 -8.707 -0.092 2.435 1.00 1.42 H new ATOM 0 HG2 ARG A 9 -10.426 1.499 4.322 1.00 2.00 H new ATOM 0 HG3 ARG A 9 -9.809 2.310 2.897 1.00 2.00 H new ATOM 0 HD2 ARG A 9 -10.752 0.228 1.584 1.00 3.34 H new ATOM 0 HD3 ARG A 9 -11.675 -0.080 3.042 1.00 3.34 H new ATOM 0 HE ARG A 9 -12.350 2.493 2.657 1.00 3.94 H new ATOM 0 HH11 ARG A 9 -12.279 -0.178 0.324 1.00 6.14 H new ATOM 0 HH12 ARG A 9 -13.439 0.619 -0.743 1.00 6.14 H new ATOM 0 HH21 ARG A 9 -13.753 3.482 1.156 1.00 5.95 H new ATOM 0 HH22 ARG A 9 -14.235 2.597 -0.294 1.00 5.95 H new ATOM 141 N PHE A 10 -10.533 -1.460 5.808 1.00 0.73 N ATOM 142 CA PHE A 10 -11.861 -2.004 6.098 1.00 0.87 C ATOM 143 C PHE A 10 -12.937 -1.371 5.199 1.00 1.09 C ATOM 144 O PHE A 10 -13.030 -0.144 5.095 1.00 1.41 O ATOM 145 CB PHE A 10 -12.181 -1.774 7.597 1.00 1.10 C ATOM 146 CG PHE A 10 -13.619 -1.391 7.924 1.00 1.39 C ATOM 147 CD1 PHE A 10 -14.669 -2.291 7.675 1.00 1.45 C ATOM 148 CD2 PHE A 10 -13.925 -0.103 8.400 1.00 2.61 C ATOM 149 CE1 PHE A 10 -16.004 -1.909 7.848 1.00 1.75 C ATOM 150 CE2 PHE A 10 -15.264 0.279 8.604 1.00 3.07 C ATOM 151 CZ PHE A 10 -16.306 -0.619 8.321 1.00 2.33 C ATOM 0 H PHE A 10 -10.100 -1.059 6.640 1.00 0.73 H new ATOM 0 HA PHE A 10 -11.862 -3.073 5.886 1.00 0.87 H new ATOM 0 HB2 PHE A 10 -11.936 -2.684 8.144 1.00 1.10 H new ATOM 0 HB3 PHE A 10 -11.523 -0.990 7.972 1.00 1.10 H new ATOM 0 HD1 PHE A 10 -14.442 -3.294 7.345 1.00 1.45 H new ATOM 0 HD2 PHE A 10 -13.129 0.596 8.610 1.00 2.61 H new ATOM 0 HE1 PHE A 10 -16.800 -2.602 7.619 1.00 1.75 H new ATOM 0 HE2 PHE A 10 -15.491 1.266 8.979 1.00 3.07 H new ATOM 0 HZ PHE A 10 -17.334 -0.321 8.466 1.00 2.33 H new ATOM 161 N SER A 11 -13.795 -2.208 4.601 1.00 1.12 N ATOM 162 CA SER A 11 -15.043 -1.846 3.942 1.00 1.45 C ATOM 163 C SER A 11 -15.803 -3.073 3.375 1.00 1.40 C ATOM 164 O SER A 11 -15.183 -4.077 3.009 1.00 1.43 O ATOM 165 CB SER A 11 -14.730 -0.863 2.809 1.00 1.76 C ATOM 166 OG SER A 11 -14.860 0.479 3.260 1.00 2.80 O ATOM 0 H SER A 11 -13.620 -3.212 4.566 1.00 1.12 H new ATOM 0 HA SER A 11 -15.695 -1.391 4.688 1.00 1.45 H new ATOM 0 HB2 SER A 11 -13.718 -1.033 2.443 1.00 1.76 H new ATOM 0 HB3 SER A 11 -15.406 -1.038 1.972 1.00 1.76 H new ATOM 0 HG SER A 11 -14.261 0.628 4.021 1.00 2.80 H new ATOM 172 N PRO A 12 -17.142 -2.979 3.224 1.00 1.61 N ATOM 173 CA PRO A 12 -17.972 -3.907 2.455 1.00 1.70 C ATOM 174 C PRO A 12 -18.062 -3.475 0.975 1.00 1.43 C ATOM 175 O PRO A 12 -19.131 -3.475 0.369 1.00 1.89 O ATOM 176 CB PRO A 12 -19.321 -3.842 3.166 1.00 2.22 C ATOM 177 CG PRO A 12 -19.435 -2.356 3.506 1.00 2.30 C ATOM 178 CD PRO A 12 -17.994 -1.969 3.843 1.00 2.02 C ATOM 0 HA PRO A 12 -17.574 -4.921 2.420 1.00 1.70 H new ATOM 0 HB2 PRO A 12 -20.136 -4.177 2.524 1.00 2.22 H new ATOM 0 HB3 PRO A 12 -19.341 -4.467 4.059 1.00 2.22 H new ATOM 0 HG2 PRO A 12 -19.822 -1.778 2.667 1.00 2.30 H new ATOM 0 HG3 PRO A 12 -20.106 -2.185 4.348 1.00 2.30 H new ATOM 0 HD2 PRO A 12 -17.759 -0.975 3.461 1.00 2.02 H new ATOM 0 HD3 PRO A 12 -17.842 -1.940 4.922 1.00 2.02 H new ATOM 186 N GLY A 13 -16.935 -3.024 0.420 1.00 1.18 N ATOM 187 CA GLY A 13 -16.839 -2.412 -0.914 1.00 1.27 C ATOM 188 C GLY A 13 -16.006 -3.245 -1.898 1.00 1.02 C ATOM 189 O GLY A 13 -15.152 -4.002 -1.452 1.00 1.08 O ATOM 0 H GLY A 13 -16.035 -3.074 0.898 1.00 1.18 H new ATOM 0 HA2 GLY A 13 -17.842 -2.278 -1.319 1.00 1.27 H new ATOM 0 HA3 GLY A 13 -16.397 -1.420 -0.822 1.00 1.27 H new ATOM 193 N PRO A 14 -16.198 -3.080 -3.226 1.00 1.03 N ATOM 194 CA PRO A 14 -15.470 -3.824 -4.263 1.00 1.09 C ATOM 195 C PRO A 14 -13.997 -3.409 -4.410 1.00 0.94 C ATOM 196 O PRO A 14 -13.200 -4.150 -4.987 1.00 1.09 O ATOM 197 CB PRO A 14 -16.229 -3.531 -5.561 1.00 1.39 C ATOM 198 CG PRO A 14 -16.841 -2.152 -5.322 1.00 1.45 C ATOM 199 CD PRO A 14 -17.171 -2.183 -3.833 1.00 1.29 C ATOM 0 HA PRO A 14 -15.434 -4.882 -4.004 1.00 1.09 H new ATOM 0 HB2 PRO A 14 -15.562 -3.529 -6.423 1.00 1.39 H new ATOM 0 HB3 PRO A 14 -16.996 -4.281 -5.754 1.00 1.39 H new ATOM 0 HG2 PRO A 14 -16.142 -1.352 -5.565 1.00 1.45 H new ATOM 0 HG3 PRO A 14 -17.731 -1.993 -5.931 1.00 1.45 H new ATOM 0 HD2 PRO A 14 -17.107 -1.186 -3.398 1.00 1.29 H new ATOM 0 HD3 PRO A 14 -18.188 -2.539 -3.666 1.00 1.29 H new ATOM 207 N ASN A 15 -13.641 -2.227 -3.903 1.00 0.83 N ATOM 208 CA ASN A 15 -12.288 -1.724 -3.751 1.00 0.73 C ATOM 209 C ASN A 15 -11.828 -1.692 -2.277 1.00 0.66 C ATOM 210 O ASN A 15 -12.634 -1.709 -1.346 1.00 0.99 O ATOM 211 CB ASN A 15 -12.242 -0.322 -4.383 1.00 1.12 C ATOM 212 CG ASN A 15 -13.315 0.649 -3.883 1.00 1.81 C ATOM 213 OD1 ASN A 15 -13.489 0.876 -2.691 1.00 2.87 O ATOM 214 ND2 ASN A 15 -14.079 1.242 -4.783 1.00 1.92 N ATOM 0 H ASN A 15 -14.337 -1.560 -3.569 1.00 0.83 H new ATOM 0 HA ASN A 15 -11.594 -2.396 -4.255 1.00 0.73 H new ATOM 0 HB2 ASN A 15 -11.261 0.114 -4.192 1.00 1.12 H new ATOM 0 HB3 ASN A 15 -12.341 -0.424 -5.464 1.00 1.12 H new ATOM 0 HD21 ASN A 15 -14.811 1.887 -4.485 1.00 1.92 H new ATOM 0 HD22 ASN A 15 -13.937 1.055 -5.776 1.00 1.92 H new ATOM 221 N ALA A 16 -10.514 -1.547 -2.082 1.00 0.58 N ATOM 222 CA ALA A 16 -9.801 -1.292 -0.827 1.00 0.61 C ATOM 223 C ALA A 16 -8.420 -0.646 -1.092 1.00 0.59 C ATOM 224 O ALA A 16 -8.158 -0.176 -2.198 1.00 0.52 O ATOM 225 CB ALA A 16 -9.799 -2.557 0.052 1.00 0.60 C ATOM 0 H ALA A 16 -9.866 -1.611 -2.867 1.00 0.58 H new ATOM 0 HA ALA A 16 -10.328 -0.544 -0.235 1.00 0.61 H new ATOM 0 HB1 ALA A 16 -9.266 -2.354 0.981 1.00 0.60 H new ATOM 0 HB2 ALA A 16 -10.826 -2.845 0.278 1.00 0.60 H new ATOM 0 HB3 ALA A 16 -9.304 -3.369 -0.480 1.00 0.60 H new ATOM 231 N ALA A 17 -7.578 -0.505 -0.067 1.00 0.73 N ATOM 232 CA ALA A 17 -6.265 0.159 -0.094 1.00 0.67 C ATOM 233 C ALA A 17 -5.391 -0.418 1.038 1.00 0.73 C ATOM 234 O ALA A 17 -5.906 -0.559 2.143 1.00 0.86 O ATOM 235 CB ALA A 17 -6.465 1.671 0.090 1.00 0.65 C ATOM 0 H ALA A 17 -7.803 -0.870 0.858 1.00 0.73 H new ATOM 0 HA ALA A 17 -5.767 -0.015 -1.048 1.00 0.67 H new ATOM 0 HB1 ALA A 17 -5.497 2.171 0.071 1.00 0.65 H new ATOM 0 HB2 ALA A 17 -7.088 2.056 -0.717 1.00 0.65 H new ATOM 0 HB3 ALA A 17 -6.952 1.860 1.047 1.00 0.65 H new ATOM 241 N ALA A 18 -4.125 -0.771 0.798 1.00 0.78 N ATOM 242 CA ALA A 18 -3.241 -1.396 1.801 1.00 0.82 C ATOM 243 C ALA A 18 -2.099 -0.457 2.200 1.00 0.68 C ATOM 244 O ALA A 18 -1.438 0.117 1.331 1.00 0.72 O ATOM 245 CB ALA A 18 -2.703 -2.730 1.274 1.00 0.95 C ATOM 0 H ALA A 18 -3.675 -0.632 -0.107 1.00 0.78 H new ATOM 0 HA ALA A 18 -3.827 -1.591 2.699 1.00 0.82 H new ATOM 0 HB1 ALA A 18 -2.052 -3.181 2.023 1.00 0.95 H new ATOM 0 HB2 ALA A 18 -3.536 -3.401 1.065 1.00 0.95 H new ATOM 0 HB3 ALA A 18 -2.137 -2.558 0.358 1.00 0.95 H new ATOM 251 N TYR A 19 -1.870 -0.323 3.512 1.00 0.60 N ATOM 252 CA TYR A 19 -1.021 0.714 4.115 1.00 0.51 C ATOM 253 C TYR A 19 0.257 0.205 4.826 1.00 0.77 C ATOM 254 O TYR A 19 0.678 0.747 5.849 1.00 1.95 O ATOM 255 CB TYR A 19 -1.871 1.580 5.068 1.00 0.64 C ATOM 256 CG TYR A 19 -3.075 2.253 4.441 1.00 0.88 C ATOM 257 CD1 TYR A 19 -2.892 3.185 3.404 1.00 1.69 C ATOM 258 CD2 TYR A 19 -4.371 1.989 4.921 1.00 2.40 C ATOM 259 CE1 TYR A 19 -3.996 3.835 2.824 1.00 1.89 C ATOM 260 CE2 TYR A 19 -5.480 2.654 4.366 1.00 2.70 C ATOM 261 CZ TYR A 19 -5.295 3.579 3.315 1.00 1.72 C ATOM 262 OH TYR A 19 -6.361 4.238 2.788 1.00 2.18 O ATOM 0 H TYR A 19 -2.281 -0.950 4.203 1.00 0.60 H new ATOM 0 HA TYR A 19 -0.642 1.305 3.282 1.00 0.51 H new ATOM 0 HB2 TYR A 19 -2.215 0.953 5.891 1.00 0.64 H new ATOM 0 HB3 TYR A 19 -1.231 2.349 5.500 1.00 0.64 H new ATOM 0 HD1 TYR A 19 -1.895 3.403 3.050 1.00 1.69 H new ATOM 0 HD2 TYR A 19 -4.515 1.274 5.718 1.00 2.40 H new ATOM 0 HE1 TYR A 19 -3.851 4.526 2.007 1.00 1.89 H new ATOM 0 HE2 TYR A 19 -6.472 2.457 4.744 1.00 2.70 H new ATOM 0 HH TYR A 19 -7.181 3.945 3.237 1.00 2.18 H new ATOM 272 N LEU A 20 0.855 -0.894 4.346 1.00 0.95 N ATOM 273 CA LEU A 20 1.976 -1.593 5.001 1.00 0.90 C ATOM 274 C LEU A 20 3.291 -0.804 5.108 1.00 0.81 C ATOM 275 O LEU A 20 3.597 0.087 4.315 1.00 0.79 O ATOM 276 CB LEU A 20 2.210 -2.987 4.383 1.00 1.07 C ATOM 277 CG LEU A 20 2.732 -3.015 2.933 1.00 1.06 C ATOM 278 CD1 LEU A 20 3.193 -4.439 2.595 1.00 2.32 C ATOM 279 CD2 LEU A 20 1.645 -2.567 1.945 1.00 1.74 C ATOM 0 H LEU A 20 0.568 -1.334 3.472 1.00 0.95 H new ATOM 0 HA LEU A 20 1.647 -1.705 6.034 1.00 0.90 H new ATOM 0 HB2 LEU A 20 2.919 -3.525 5.012 1.00 1.07 H new ATOM 0 HB3 LEU A 20 1.271 -3.539 4.419 1.00 1.07 H new ATOM 0 HG LEU A 20 3.569 -2.322 2.847 1.00 1.06 H new ATOM 0 HD11 LEU A 20 3.564 -4.468 1.570 1.00 2.32 H new ATOM 0 HD12 LEU A 20 3.989 -4.735 3.278 1.00 2.32 H new ATOM 0 HD13 LEU A 20 2.354 -5.127 2.696 1.00 2.32 H new ATOM 0 HD21 LEU A 20 2.041 -2.597 0.930 1.00 1.74 H new ATOM 0 HD22 LEU A 20 0.788 -3.236 2.019 1.00 1.74 H new ATOM 0 HD23 LEU A 20 1.333 -1.550 2.183 1.00 1.74 H new ATOM 291 N THR A 21 4.132 -1.234 6.054 1.00 0.95 N ATOM 292 CA THR A 21 5.540 -0.840 6.155 1.00 1.00 C ATOM 293 C THR A 21 6.373 -1.648 5.161 1.00 1.21 C ATOM 294 O THR A 21 6.337 -2.872 5.162 1.00 1.38 O ATOM 295 CB THR A 21 6.026 -1.023 7.596 1.00 1.18 C ATOM 296 OG1 THR A 21 5.240 -0.157 8.385 1.00 1.63 O ATOM 297 CG2 THR A 21 7.515 -0.731 7.791 1.00 1.75 C ATOM 0 H THR A 21 3.845 -1.881 6.788 1.00 0.95 H new ATOM 0 HA THR A 21 5.653 0.214 5.901 1.00 1.00 H new ATOM 0 HB THR A 21 5.914 -2.068 7.883 1.00 1.18 H new ATOM 0 HG1 THR A 21 5.825 0.436 8.902 1.00 1.63 H new ATOM 0 HG21 THR A 21 7.782 -0.883 8.837 1.00 1.75 H new ATOM 0 HG22 THR A 21 8.103 -1.403 7.165 1.00 1.75 H new ATOM 0 HG23 THR A 21 7.723 0.301 7.510 1.00 1.75 H new ATOM 305 N LEU A 22 7.145 -0.951 4.324 1.00 1.47 N ATOM 306 CA LEU A 22 8.183 -1.518 3.461 1.00 1.85 C ATOM 307 C LEU A 22 9.552 -1.319 4.132 1.00 1.55 C ATOM 308 O LEU A 22 9.930 -0.200 4.496 1.00 1.45 O ATOM 309 CB LEU A 22 8.089 -0.860 2.063 1.00 2.34 C ATOM 310 CG LEU A 22 9.280 -1.112 1.119 1.00 2.89 C ATOM 311 CD1 LEU A 22 9.506 -2.591 0.797 1.00 3.10 C ATOM 312 CD2 LEU A 22 9.062 -0.341 -0.194 1.00 4.27 C ATOM 0 H LEU A 22 7.061 0.061 4.225 1.00 1.47 H new ATOM 0 HA LEU A 22 8.046 -2.590 3.321 1.00 1.85 H new ATOM 0 HB2 LEU A 22 7.182 -1.217 1.575 1.00 2.34 H new ATOM 0 HB3 LEU A 22 7.977 0.216 2.196 1.00 2.34 H new ATOM 0 HG LEU A 22 10.170 -0.762 1.642 1.00 2.89 H new ATOM 0 HD11 LEU A 22 10.360 -2.691 0.128 1.00 3.10 H new ATOM 0 HD12 LEU A 22 9.701 -3.138 1.719 1.00 3.10 H new ATOM 0 HD13 LEU A 22 8.618 -2.998 0.314 1.00 3.10 H new ATOM 0 HD21 LEU A 22 9.904 -0.518 -0.864 1.00 4.27 H new ATOM 0 HD22 LEU A 22 8.142 -0.683 -0.669 1.00 4.27 H new ATOM 0 HD23 LEU A 22 8.985 0.725 0.019 1.00 4.27 H new ATOM 324 N GLU A 23 10.318 -2.400 4.262 1.00 1.53 N ATOM 325 CA GLU A 23 11.677 -2.362 4.785 1.00 1.33 C ATOM 326 C GLU A 23 12.669 -3.007 3.823 1.00 1.26 C ATOM 327 O GLU A 23 12.321 -3.874 3.023 1.00 1.60 O ATOM 328 CB GLU A 23 11.751 -2.999 6.179 1.00 1.48 C ATOM 329 CG GLU A 23 11.516 -4.517 6.246 1.00 2.63 C ATOM 330 CD GLU A 23 11.931 -5.022 7.625 1.00 2.81 C ATOM 331 OE1 GLU A 23 13.147 -4.987 7.922 1.00 3.40 O ATOM 332 OE2 GLU A 23 11.033 -5.247 8.460 1.00 3.19 O ATOM 0 H GLU A 23 10.007 -3.336 4.004 1.00 1.53 H new ATOM 0 HA GLU A 23 11.961 -1.314 4.884 1.00 1.33 H new ATOM 0 HB2 GLU A 23 12.733 -2.786 6.601 1.00 1.48 H new ATOM 0 HB3 GLU A 23 11.016 -2.510 6.818 1.00 1.48 H new ATOM 0 HG2 GLU A 23 10.466 -4.744 6.062 1.00 2.63 H new ATOM 0 HG3 GLU A 23 12.092 -5.022 5.471 1.00 2.63 H new ATOM 339 N ASN A 24 13.921 -2.579 3.932 1.00 0.94 N ATOM 340 CA ASN A 24 15.060 -3.203 3.284 1.00 0.85 C ATOM 341 C ASN A 24 16.053 -3.683 4.362 1.00 0.81 C ATOM 342 O ASN A 24 16.843 -2.878 4.861 1.00 0.84 O ATOM 343 CB ASN A 24 15.689 -2.185 2.327 1.00 0.91 C ATOM 344 CG ASN A 24 16.780 -2.821 1.481 1.00 0.95 C ATOM 345 OD1 ASN A 24 17.209 -3.946 1.708 1.00 1.53 O ATOM 346 ND2 ASN A 24 17.234 -2.124 0.464 1.00 0.91 N ATOM 0 H ASN A 24 14.175 -1.764 4.491 1.00 0.94 H new ATOM 0 HA ASN A 24 14.760 -4.075 2.704 1.00 0.85 H new ATOM 0 HB2 ASN A 24 14.919 -1.769 1.678 1.00 0.91 H new ATOM 0 HB3 ASN A 24 16.106 -1.356 2.898 1.00 0.91 H new ATOM 0 HD21 ASN A 24 17.950 -2.519 -0.145 1.00 0.91 H new ATOM 0 HD22 ASN A 24 16.870 -1.188 0.284 1.00 0.91 H new ATOM 353 N PRO A 25 16.030 -4.972 4.742 1.00 0.88 N ATOM 354 CA PRO A 25 16.971 -5.536 5.709 1.00 1.00 C ATOM 355 C PRO A 25 18.344 -5.861 5.094 1.00 1.06 C ATOM 356 O PRO A 25 19.284 -6.156 5.834 1.00 1.21 O ATOM 357 CB PRO A 25 16.274 -6.803 6.215 1.00 1.17 C ATOM 358 CG PRO A 25 15.474 -7.266 4.996 1.00 1.15 C ATOM 359 CD PRO A 25 15.021 -5.953 4.370 1.00 0.99 C ATOM 0 HA PRO A 25 17.196 -4.825 6.504 1.00 1.00 H new ATOM 0 HB2 PRO A 25 16.992 -7.557 6.537 1.00 1.17 H new ATOM 0 HB3 PRO A 25 15.627 -6.595 7.067 1.00 1.17 H new ATOM 0 HG2 PRO A 25 16.086 -7.851 4.310 1.00 1.15 H new ATOM 0 HG3 PRO A 25 14.628 -7.891 5.281 1.00 1.15 H new ATOM 0 HD2 PRO A 25 14.942 -6.042 3.287 1.00 0.99 H new ATOM 0 HD3 PRO A 25 14.037 -5.662 4.738 1.00 0.99 H new ATOM 367 N GLY A 26 18.476 -5.818 3.762 1.00 1.04 N ATOM 368 CA GLY A 26 19.687 -6.177 3.034 1.00 1.25 C ATOM 369 C GLY A 26 20.663 -5.016 2.887 1.00 1.12 C ATOM 370 O GLY A 26 20.506 -3.952 3.480 1.00 1.26 O ATOM 0 H GLY A 26 17.717 -5.523 3.148 1.00 1.04 H new ATOM 0 HA2 GLY A 26 20.184 -6.998 3.550 1.00 1.25 H new ATOM 0 HA3 GLY A 26 19.414 -6.542 2.044 1.00 1.25 H new ATOM 374 N ASP A 27 21.709 -5.274 2.112 1.00 1.22 N ATOM 375 CA ASP A 27 22.907 -4.455 1.967 1.00 1.43 C ATOM 376 C ASP A 27 23.026 -3.833 0.561 1.00 1.44 C ATOM 377 O ASP A 27 23.955 -3.088 0.257 1.00 1.64 O ATOM 378 CB ASP A 27 24.056 -5.408 2.286 1.00 1.85 C ATOM 379 CG ASP A 27 24.016 -5.797 3.770 1.00 2.33 C ATOM 380 OD1 ASP A 27 24.540 -5.035 4.607 1.00 2.71 O ATOM 381 OD2 ASP A 27 23.296 -6.762 4.117 1.00 3.26 O ATOM 0 H ASP A 27 21.746 -6.112 1.532 1.00 1.22 H new ATOM 0 HA ASP A 27 22.898 -3.592 2.633 1.00 1.43 H new ATOM 0 HB2 ASP A 27 23.982 -6.301 1.665 1.00 1.85 H new ATOM 0 HB3 ASP A 27 25.009 -4.934 2.051 1.00 1.85 H new ATOM 386 N LEU A 28 22.024 -4.115 -0.276 1.00 1.25 N ATOM 387 CA LEU A 28 21.796 -3.584 -1.617 1.00 1.24 C ATOM 388 C LEU A 28 20.391 -2.945 -1.708 1.00 1.14 C ATOM 389 O LEU A 28 19.550 -3.223 -0.848 1.00 1.04 O ATOM 390 CB LEU A 28 22.057 -4.728 -2.618 1.00 1.37 C ATOM 391 CG LEU A 28 21.099 -5.940 -2.558 1.00 1.77 C ATOM 392 CD1 LEU A 28 19.788 -5.717 -3.330 1.00 1.98 C ATOM 393 CD2 LEU A 28 21.801 -7.169 -3.155 1.00 2.28 C ATOM 0 H LEU A 28 21.293 -4.775 -0.009 1.00 1.25 H new ATOM 0 HA LEU A 28 22.480 -2.772 -1.864 1.00 1.24 H new ATOM 0 HB2 LEU A 28 22.017 -4.313 -3.625 1.00 1.37 H new ATOM 0 HB3 LEU A 28 23.073 -5.090 -2.462 1.00 1.37 H new ATOM 0 HG LEU A 28 20.846 -6.086 -1.508 1.00 1.77 H new ATOM 0 HD11 LEU A 28 19.162 -6.605 -3.247 1.00 1.98 H new ATOM 0 HD12 LEU A 28 19.260 -4.860 -2.911 1.00 1.98 H new ATOM 0 HD13 LEU A 28 20.012 -5.527 -4.380 1.00 1.98 H new ATOM 0 HD21 LEU A 28 21.130 -8.027 -3.115 1.00 2.28 H new ATOM 0 HD22 LEU A 28 22.070 -6.967 -4.192 1.00 2.28 H new ATOM 0 HD23 LEU A 28 22.702 -7.387 -2.582 1.00 2.28 H new ATOM 405 N PRO A 29 20.104 -2.086 -2.706 1.00 1.22 N ATOM 406 CA PRO A 29 18.844 -1.355 -2.772 1.00 1.19 C ATOM 407 C PRO A 29 17.711 -2.217 -3.350 1.00 1.15 C ATOM 408 O PRO A 29 17.905 -2.983 -4.296 1.00 1.19 O ATOM 409 CB PRO A 29 19.134 -0.127 -3.636 1.00 1.30 C ATOM 410 CG PRO A 29 20.225 -0.616 -4.587 1.00 1.40 C ATOM 411 CD PRO A 29 21.000 -1.652 -3.768 1.00 1.34 C ATOM 0 HA PRO A 29 18.494 -1.068 -1.780 1.00 1.19 H new ATOM 0 HB2 PRO A 29 18.247 0.203 -4.177 1.00 1.30 H new ATOM 0 HB3 PRO A 29 19.473 0.717 -3.035 1.00 1.30 H new ATOM 0 HG2 PRO A 29 19.799 -1.058 -5.488 1.00 1.40 H new ATOM 0 HG3 PRO A 29 20.870 0.202 -4.907 1.00 1.40 H new ATOM 0 HD2 PRO A 29 21.301 -2.494 -4.391 1.00 1.34 H new ATOM 0 HD3 PRO A 29 21.911 -1.219 -3.355 1.00 1.34 H new ATOM 419 N LEU A 30 16.506 -2.056 -2.792 1.00 1.10 N ATOM 420 CA LEU A 30 15.267 -2.680 -3.265 1.00 1.05 C ATOM 421 C LEU A 30 14.410 -1.653 -4.006 1.00 1.01 C ATOM 422 O LEU A 30 14.350 -0.480 -3.650 1.00 1.01 O ATOM 423 CB LEU A 30 14.456 -3.237 -2.080 1.00 1.01 C ATOM 424 CG LEU A 30 14.788 -4.663 -1.581 1.00 1.04 C ATOM 425 CD1 LEU A 30 16.279 -5.026 -1.563 1.00 2.71 C ATOM 426 CD2 LEU A 30 14.157 -4.876 -0.201 1.00 1.98 C ATOM 0 H LEU A 30 16.363 -1.468 -1.971 1.00 1.10 H new ATOM 0 HA LEU A 30 15.535 -3.495 -3.938 1.00 1.05 H new ATOM 0 HB2 LEU A 30 14.578 -2.552 -1.241 1.00 1.01 H new ATOM 0 HB3 LEU A 30 13.402 -3.217 -2.357 1.00 1.01 H new ATOM 0 HG LEU A 30 14.358 -5.344 -2.316 1.00 1.04 H new ATOM 0 HD11 LEU A 30 16.401 -6.046 -1.197 1.00 2.71 H new ATOM 0 HD12 LEU A 30 16.684 -4.952 -2.572 1.00 2.71 H new ATOM 0 HD13 LEU A 30 16.813 -4.339 -0.907 1.00 2.71 H new ATOM 0 HD21 LEU A 30 14.389 -5.880 0.154 1.00 1.98 H new ATOM 0 HD22 LEU A 30 14.557 -4.142 0.499 1.00 1.98 H new ATOM 0 HD23 LEU A 30 13.076 -4.757 -0.273 1.00 1.98 H new ATOM 438 N ARG A 31 13.652 -2.146 -4.977 1.00 0.96 N ATOM 439 CA ARG A 31 12.728 -1.352 -5.801 1.00 0.85 C ATOM 440 C ARG A 31 11.399 -2.078 -5.946 1.00 0.78 C ATOM 441 O ARG A 31 11.300 -3.063 -6.674 1.00 0.78 O ATOM 442 CB ARG A 31 13.353 -1.029 -7.165 1.00 0.79 C ATOM 443 CG ARG A 31 12.560 0.069 -7.897 1.00 0.68 C ATOM 444 CD ARG A 31 13.234 0.556 -9.189 1.00 0.95 C ATOM 445 NE ARG A 31 14.529 1.209 -8.920 1.00 1.12 N ATOM 446 CZ ARG A 31 15.747 0.869 -9.320 1.00 1.55 C ATOM 447 NH1 ARG A 31 15.981 -0.120 -10.162 1.00 2.75 N ATOM 448 NH2 ARG A 31 16.767 1.532 -8.836 1.00 1.96 N ATOM 0 H ARG A 31 13.658 -3.135 -5.226 1.00 0.96 H new ATOM 0 HA ARG A 31 12.537 -0.402 -5.302 1.00 0.85 H new ATOM 0 HB2 ARG A 31 14.385 -0.705 -7.027 1.00 0.79 H new ATOM 0 HB3 ARG A 31 13.381 -1.930 -7.777 1.00 0.79 H new ATOM 0 HG2 ARG A 31 11.566 -0.310 -8.136 1.00 0.68 H new ATOM 0 HG3 ARG A 31 12.425 0.917 -7.226 1.00 0.68 H new ATOM 0 HD2 ARG A 31 13.386 -0.289 -9.860 1.00 0.95 H new ATOM 0 HD3 ARG A 31 12.574 1.256 -9.702 1.00 0.95 H new ATOM 0 HE ARG A 31 14.481 2.047 -8.340 1.00 1.12 H new ATOM 0 HH11 ARG A 31 15.205 -0.664 -10.538 1.00 2.75 H new ATOM 0 HH12 ARG A 31 16.938 -0.340 -10.437 1.00 2.75 H new ATOM 0 HH21 ARG A 31 16.614 2.288 -8.169 1.00 1.96 H new ATOM 0 HH22 ARG A 31 17.715 1.292 -9.126 1.00 1.96 H new ATOM 462 N LEU A 32 10.402 -1.622 -5.205 1.00 0.76 N ATOM 463 CA LEU A 32 9.054 -2.169 -5.145 1.00 0.68 C ATOM 464 C LEU A 32 8.287 -1.672 -6.368 1.00 0.67 C ATOM 465 O LEU A 32 8.036 -0.483 -6.467 1.00 0.77 O ATOM 466 CB LEU A 32 8.472 -1.684 -3.803 1.00 0.68 C ATOM 467 CG LEU A 32 7.012 -2.033 -3.462 1.00 0.63 C ATOM 468 CD1 LEU A 32 5.999 -1.281 -4.339 1.00 2.41 C ATOM 469 CD2 LEU A 32 6.812 -3.550 -3.509 1.00 2.58 C ATOM 0 H LEU A 32 10.518 -0.814 -4.594 1.00 0.76 H new ATOM 0 HA LEU A 32 9.005 -3.257 -5.176 1.00 0.68 H new ATOM 0 HB2 LEU A 32 9.102 -2.081 -3.007 1.00 0.68 H new ATOM 0 HB3 LEU A 32 8.568 -0.599 -3.774 1.00 0.68 H new ATOM 0 HG LEU A 32 6.816 -1.693 -2.445 1.00 0.63 H new ATOM 0 HD11 LEU A 32 4.987 -1.567 -4.053 1.00 2.41 H new ATOM 0 HD12 LEU A 32 6.125 -0.207 -4.201 1.00 2.41 H new ATOM 0 HD13 LEU A 32 6.165 -1.534 -5.386 1.00 2.41 H new ATOM 0 HD21 LEU A 32 5.776 -3.788 -3.266 1.00 2.58 H new ATOM 0 HD22 LEU A 32 7.044 -3.917 -4.509 1.00 2.58 H new ATOM 0 HD23 LEU A 32 7.473 -4.027 -2.785 1.00 2.58 H new ATOM 481 N VAL A 33 7.894 -2.557 -7.275 1.00 0.58 N ATOM 482 CA VAL A 33 7.192 -2.207 -8.533 1.00 0.52 C ATOM 483 C VAL A 33 5.713 -2.661 -8.529 1.00 0.47 C ATOM 484 O VAL A 33 4.914 -2.173 -9.321 1.00 0.46 O ATOM 485 CB VAL A 33 7.920 -2.801 -9.767 1.00 0.54 C ATOM 486 CG1 VAL A 33 9.386 -2.331 -9.859 1.00 0.60 C ATOM 487 CG2 VAL A 33 7.928 -4.343 -9.799 1.00 0.61 C ATOM 0 H VAL A 33 8.050 -3.559 -7.168 1.00 0.58 H new ATOM 0 HA VAL A 33 7.208 -1.119 -8.599 1.00 0.52 H new ATOM 0 HB VAL A 33 7.343 -2.431 -10.615 1.00 0.54 H new ATOM 0 HG11 VAL A 33 9.855 -2.772 -10.738 1.00 0.60 H new ATOM 0 HG12 VAL A 33 9.415 -1.244 -9.939 1.00 0.60 H new ATOM 0 HG13 VAL A 33 9.925 -2.644 -8.965 1.00 0.60 H new ATOM 0 HG21 VAL A 33 8.454 -4.686 -10.690 1.00 0.61 H new ATOM 0 HG22 VAL A 33 8.433 -4.723 -8.911 1.00 0.61 H new ATOM 0 HG23 VAL A 33 6.902 -4.712 -9.819 1.00 0.61 H new ATOM 497 N GLY A 34 5.352 -3.615 -7.654 1.00 0.47 N ATOM 498 CA GLY A 34 3.997 -4.171 -7.506 1.00 0.44 C ATOM 499 C GLY A 34 3.741 -4.821 -6.151 1.00 0.45 C ATOM 500 O GLY A 34 4.605 -4.852 -5.275 1.00 0.50 O ATOM 0 H GLY A 34 6.020 -4.035 -7.007 1.00 0.47 H new ATOM 0 HA2 GLY A 34 3.269 -3.374 -7.659 1.00 0.44 H new ATOM 0 HA3 GLY A 34 3.830 -4.910 -8.290 1.00 0.44 H new ATOM 504 N ALA A 35 2.558 -5.411 -6.011 1.00 0.45 N ATOM 505 CA ALA A 35 2.228 -6.330 -4.925 1.00 0.47 C ATOM 506 C ALA A 35 1.427 -7.538 -5.447 1.00 0.51 C ATOM 507 O ALA A 35 1.105 -7.623 -6.632 1.00 0.50 O ATOM 508 CB ALA A 35 1.480 -5.540 -3.839 1.00 0.47 C ATOM 0 H ALA A 35 1.787 -5.261 -6.661 1.00 0.45 H new ATOM 0 HA ALA A 35 3.135 -6.747 -4.488 1.00 0.47 H new ATOM 0 HB1 ALA A 35 1.223 -6.207 -3.016 1.00 0.47 H new ATOM 0 HB2 ALA A 35 2.117 -4.737 -3.469 1.00 0.47 H new ATOM 0 HB3 ALA A 35 0.569 -5.115 -4.260 1.00 0.47 H new ATOM 514 N ARG A 36 1.069 -8.443 -4.536 1.00 0.59 N ATOM 515 CA ARG A 36 -0.076 -9.355 -4.650 1.00 0.48 C ATOM 516 C ARG A 36 -0.782 -9.396 -3.288 1.00 0.50 C ATOM 517 O ARG A 36 -0.304 -8.806 -2.321 1.00 0.64 O ATOM 518 CB ARG A 36 0.336 -10.778 -5.078 1.00 0.58 C ATOM 519 CG ARG A 36 1.258 -10.858 -6.308 1.00 1.49 C ATOM 520 CD ARG A 36 1.867 -12.254 -6.475 1.00 2.18 C ATOM 521 NE ARG A 36 0.851 -13.309 -6.682 1.00 2.36 N ATOM 522 CZ ARG A 36 0.950 -14.566 -6.262 1.00 3.29 C ATOM 523 NH1 ARG A 36 1.771 -14.926 -5.297 1.00 3.98 N ATOM 524 NH2 ARG A 36 0.214 -15.496 -6.837 1.00 4.11 N ATOM 0 H ARG A 36 1.586 -8.568 -3.665 1.00 0.59 H new ATOM 0 HA ARG A 36 -0.741 -8.983 -5.429 1.00 0.48 H new ATOM 0 HB2 ARG A 36 0.836 -11.261 -4.238 1.00 0.58 H new ATOM 0 HB3 ARG A 36 -0.567 -11.353 -5.284 1.00 0.58 H new ATOM 0 HG2 ARG A 36 0.693 -10.599 -7.203 1.00 1.49 H new ATOM 0 HG3 ARG A 36 2.057 -10.123 -6.212 1.00 1.49 H new ATOM 0 HD2 ARG A 36 2.552 -12.246 -7.323 1.00 2.18 H new ATOM 0 HD3 ARG A 36 2.457 -12.495 -5.591 1.00 2.18 H new ATOM 0 HE ARG A 36 0.005 -13.050 -7.189 1.00 2.36 H new ATOM 0 HH11 ARG A 36 2.361 -14.229 -4.843 1.00 3.98 H new ATOM 0 HH12 ARG A 36 1.817 -15.902 -5.004 1.00 3.98 H new ATOM 0 HH21 ARG A 36 -0.422 -15.247 -7.595 1.00 4.11 H new ATOM 0 HH22 ARG A 36 0.280 -16.465 -6.524 1.00 4.11 H new ATOM 538 N THR A 37 -1.887 -10.133 -3.198 1.00 0.48 N ATOM 539 CA THR A 37 -2.715 -10.386 -2.011 1.00 0.52 C ATOM 540 C THR A 37 -3.793 -11.380 -2.441 1.00 0.57 C ATOM 541 O THR A 37 -4.175 -11.343 -3.612 1.00 0.60 O ATOM 542 CB THR A 37 -3.288 -9.075 -1.439 1.00 0.60 C ATOM 543 OG1 THR A 37 -4.211 -9.331 -0.417 1.00 0.70 O ATOM 544 CG2 THR A 37 -4.021 -8.191 -2.448 1.00 0.62 C ATOM 0 H THR A 37 -2.261 -10.610 -4.019 1.00 0.48 H new ATOM 0 HA THR A 37 -2.131 -10.810 -1.194 1.00 0.52 H new ATOM 0 HB THR A 37 -2.400 -8.548 -1.090 1.00 0.60 H new ATOM 0 HG1 THR A 37 -3.732 -9.510 0.419 1.00 0.70 H new ATOM 0 HG21 THR A 37 -4.386 -7.294 -1.948 1.00 0.62 H new ATOM 0 HG22 THR A 37 -3.337 -7.908 -3.248 1.00 0.62 H new ATOM 0 HG23 THR A 37 -4.863 -8.740 -2.869 1.00 0.62 H new ATOM 552 N PRO A 38 -4.295 -12.268 -1.565 1.00 0.62 N ATOM 553 CA PRO A 38 -5.343 -13.212 -1.920 1.00 0.66 C ATOM 554 C PRO A 38 -6.716 -12.544 -2.012 1.00 0.67 C ATOM 555 O PRO A 38 -7.653 -13.177 -2.477 1.00 0.78 O ATOM 556 CB PRO A 38 -5.289 -14.277 -0.829 1.00 0.72 C ATOM 557 CG PRO A 38 -4.785 -13.533 0.403 1.00 0.73 C ATOM 558 CD PRO A 38 -3.859 -12.476 -0.196 1.00 0.70 C ATOM 0 HA PRO A 38 -5.187 -13.639 -2.911 1.00 0.66 H new ATOM 0 HB2 PRO A 38 -6.271 -14.716 -0.654 1.00 0.72 H new ATOM 0 HB3 PRO A 38 -4.619 -15.092 -1.102 1.00 0.72 H new ATOM 0 HG2 PRO A 38 -5.602 -13.083 0.966 1.00 0.73 H new ATOM 0 HG3 PRO A 38 -4.254 -14.195 1.087 1.00 0.73 H new ATOM 0 HD2 PRO A 38 -3.912 -11.548 0.373 1.00 0.70 H new ATOM 0 HD3 PRO A 38 -2.821 -12.809 -0.166 1.00 0.70 H new ATOM 566 N VAL A 39 -6.834 -11.282 -1.584 1.00 0.61 N ATOM 567 CA VAL A 39 -8.072 -10.483 -1.595 1.00 0.66 C ATOM 568 C VAL A 39 -7.979 -9.311 -2.582 1.00 0.66 C ATOM 569 O VAL A 39 -8.278 -8.169 -2.249 1.00 0.84 O ATOM 570 CB VAL A 39 -8.504 -10.042 -0.171 1.00 0.76 C ATOM 571 CG1 VAL A 39 -8.948 -11.267 0.646 1.00 0.86 C ATOM 572 CG2 VAL A 39 -7.396 -9.304 0.593 1.00 0.71 C ATOM 0 H VAL A 39 -6.040 -10.766 -1.205 1.00 0.61 H new ATOM 0 HA VAL A 39 -8.870 -11.131 -1.957 1.00 0.66 H new ATOM 0 HB VAL A 39 -9.331 -9.344 -0.301 1.00 0.76 H new ATOM 0 HG11 VAL A 39 -9.250 -10.949 1.644 1.00 0.86 H new ATOM 0 HG12 VAL A 39 -9.790 -11.750 0.149 1.00 0.86 H new ATOM 0 HG13 VAL A 39 -8.120 -11.972 0.724 1.00 0.86 H new ATOM 0 HG21 VAL A 39 -7.761 -9.022 1.581 1.00 0.71 H new ATOM 0 HG22 VAL A 39 -6.530 -9.957 0.699 1.00 0.71 H new ATOM 0 HG23 VAL A 39 -7.110 -8.408 0.043 1.00 0.71 H new ATOM 582 N ALA A 40 -7.603 -9.606 -3.835 1.00 0.59 N ATOM 583 CA ALA A 40 -7.708 -8.697 -4.983 1.00 0.60 C ATOM 584 C ALA A 40 -7.669 -9.463 -6.320 1.00 0.70 C ATOM 585 O ALA A 40 -7.161 -10.580 -6.388 1.00 1.01 O ATOM 586 CB ALA A 40 -6.585 -7.651 -4.916 1.00 0.74 C ATOM 0 H ALA A 40 -7.205 -10.512 -4.084 1.00 0.59 H new ATOM 0 HA ALA A 40 -8.672 -8.190 -4.934 1.00 0.60 H new ATOM 0 HB1 ALA A 40 -6.664 -6.977 -5.769 1.00 0.74 H new ATOM 0 HB2 ALA A 40 -6.675 -7.079 -3.992 1.00 0.74 H new ATOM 0 HB3 ALA A 40 -5.618 -8.153 -4.939 1.00 0.74 H new ATOM 592 N GLU A 41 -8.196 -8.827 -7.364 1.00 0.71 N ATOM 593 CA GLU A 41 -7.943 -9.133 -8.780 1.00 0.89 C ATOM 594 C GLU A 41 -6.880 -8.169 -9.351 1.00 0.81 C ATOM 595 O GLU A 41 -6.061 -8.535 -10.193 1.00 1.05 O ATOM 596 CB GLU A 41 -9.261 -8.961 -9.568 1.00 1.12 C ATOM 597 CG GLU A 41 -9.311 -9.782 -10.863 1.00 1.36 C ATOM 598 CD GLU A 41 -9.698 -11.223 -10.547 1.00 1.66 C ATOM 599 OE1 GLU A 41 -10.914 -11.505 -10.461 1.00 2.48 O ATOM 600 OE2 GLU A 41 -8.810 -12.036 -10.213 1.00 2.67 O ATOM 0 H GLU A 41 -8.842 -8.047 -7.246 1.00 0.71 H new ATOM 0 HA GLU A 41 -7.578 -10.156 -8.870 1.00 0.89 H new ATOM 0 HB2 GLU A 41 -10.097 -9.251 -8.931 1.00 1.12 H new ATOM 0 HB3 GLU A 41 -9.395 -7.907 -9.810 1.00 1.12 H new ATOM 0 HG2 GLU A 41 -10.032 -9.345 -11.554 1.00 1.36 H new ATOM 0 HG3 GLU A 41 -8.340 -9.757 -11.358 1.00 1.36 H new ATOM 607 N ARG A 42 -6.883 -6.921 -8.862 1.00 0.71 N ATOM 608 CA ARG A 42 -5.949 -5.852 -9.199 1.00 0.75 C ATOM 609 C ARG A 42 -5.376 -5.250 -7.915 1.00 0.67 C ATOM 610 O ARG A 42 -6.117 -4.876 -7.009 1.00 0.83 O ATOM 611 CB ARG A 42 -6.698 -4.778 -10.005 1.00 1.01 C ATOM 612 CG ARG A 42 -6.402 -4.869 -11.505 1.00 1.59 C ATOM 613 CD ARG A 42 -7.293 -3.886 -12.272 1.00 1.94 C ATOM 614 NE ARG A 42 -6.785 -3.652 -13.638 1.00 2.94 N ATOM 615 CZ ARG A 42 -6.298 -2.506 -14.110 1.00 4.05 C ATOM 616 NH1 ARG A 42 -6.176 -1.430 -13.370 1.00 4.57 N ATOM 617 NH2 ARG A 42 -5.911 -2.433 -15.365 1.00 5.16 N ATOM 0 H ARG A 42 -7.580 -6.619 -8.182 1.00 0.71 H new ATOM 0 HA ARG A 42 -5.126 -6.245 -9.796 1.00 0.75 H new ATOM 0 HB2 ARG A 42 -7.770 -4.885 -9.841 1.00 1.01 H new ATOM 0 HB3 ARG A 42 -6.417 -3.790 -9.640 1.00 1.01 H new ATOM 0 HG2 ARG A 42 -5.352 -4.644 -11.692 1.00 1.59 H new ATOM 0 HG3 ARG A 42 -6.578 -5.885 -11.858 1.00 1.59 H new ATOM 0 HD2 ARG A 42 -8.309 -4.277 -12.322 1.00 1.94 H new ATOM 0 HD3 ARG A 42 -7.341 -2.940 -11.733 1.00 1.94 H new ATOM 0 HE ARG A 42 -6.809 -4.443 -14.281 1.00 2.94 H new ATOM 0 HH11 ARG A 42 -6.460 -1.450 -12.390 1.00 4.57 H new ATOM 0 HH12 ARG A 42 -5.797 -0.573 -13.774 1.00 4.57 H new ATOM 0 HH21 ARG A 42 -5.985 -3.251 -15.970 1.00 5.16 H new ATOM 0 HH22 ARG A 42 -5.537 -1.558 -15.733 1.00 5.16 H new ATOM 631 N VAL A 43 -4.051 -5.134 -7.865 1.00 0.66 N ATOM 632 CA VAL A 43 -3.324 -4.334 -6.868 1.00 0.68 C ATOM 633 C VAL A 43 -2.354 -3.405 -7.589 1.00 0.97 C ATOM 634 O VAL A 43 -1.622 -3.839 -8.479 1.00 1.43 O ATOM 635 CB VAL A 43 -2.621 -5.198 -5.807 1.00 0.70 C ATOM 636 CG1 VAL A 43 -1.441 -6.024 -6.344 1.00 1.03 C ATOM 637 CG2 VAL A 43 -2.148 -4.348 -4.620 1.00 0.73 C ATOM 0 H VAL A 43 -3.434 -5.602 -8.529 1.00 0.66 H new ATOM 0 HA VAL A 43 -4.046 -3.736 -6.312 1.00 0.68 H new ATOM 0 HB VAL A 43 -3.381 -5.908 -5.481 1.00 0.70 H new ATOM 0 HG11 VAL A 43 -1.003 -6.603 -5.531 1.00 1.03 H new ATOM 0 HG12 VAL A 43 -1.795 -6.700 -7.122 1.00 1.03 H new ATOM 0 HG13 VAL A 43 -0.688 -5.355 -6.760 1.00 1.03 H new ATOM 0 HG21 VAL A 43 -1.655 -4.988 -3.888 1.00 0.73 H new ATOM 0 HG22 VAL A 43 -1.446 -3.591 -4.971 1.00 0.73 H new ATOM 0 HG23 VAL A 43 -3.006 -3.860 -4.157 1.00 0.73 H new ATOM 647 N GLU A 44 -2.416 -2.120 -7.246 1.00 0.79 N ATOM 648 CA GLU A 44 -1.849 -1.025 -8.044 1.00 0.77 C ATOM 649 C GLU A 44 -1.291 0.068 -7.131 1.00 0.62 C ATOM 650 O GLU A 44 -1.893 0.402 -6.113 1.00 0.78 O ATOM 651 CB GLU A 44 -2.933 -0.450 -8.970 1.00 0.95 C ATOM 652 CG GLU A 44 -3.256 -1.405 -10.123 1.00 1.65 C ATOM 653 CD GLU A 44 -4.511 -0.975 -10.856 1.00 2.16 C ATOM 654 OE1 GLU A 44 -4.458 0.031 -11.594 1.00 2.88 O ATOM 655 OE2 GLU A 44 -5.540 -1.675 -10.731 1.00 3.16 O ATOM 0 H GLU A 44 -2.870 -1.800 -6.390 1.00 0.79 H new ATOM 0 HA GLU A 44 -1.030 -1.412 -8.650 1.00 0.77 H new ATOM 0 HB2 GLU A 44 -3.838 -0.255 -8.394 1.00 0.95 H new ATOM 0 HB3 GLU A 44 -2.599 0.506 -9.372 1.00 0.95 H new ATOM 0 HG2 GLU A 44 -2.418 -1.436 -10.819 1.00 1.65 H new ATOM 0 HG3 GLU A 44 -3.386 -2.416 -9.736 1.00 1.65 H new ATOM 662 N LEU A 45 -0.116 0.607 -7.458 1.00 0.71 N ATOM 663 CA LEU A 45 0.642 1.455 -6.538 1.00 0.74 C ATOM 664 C LEU A 45 0.310 2.945 -6.710 1.00 0.64 C ATOM 665 O LEU A 45 0.442 3.498 -7.804 1.00 0.59 O ATOM 666 CB LEU A 45 2.128 1.161 -6.768 1.00 0.99 C ATOM 667 CG LEU A 45 3.051 1.837 -5.741 1.00 0.74 C ATOM 668 CD1 LEU A 45 3.008 1.165 -4.367 1.00 0.97 C ATOM 669 CD2 LEU A 45 4.470 1.788 -6.303 1.00 1.37 C ATOM 0 H LEU A 45 0.335 0.469 -8.363 1.00 0.71 H new ATOM 0 HA LEU A 45 0.370 1.226 -5.508 1.00 0.74 H new ATOM 0 HB2 LEU A 45 2.287 0.083 -6.734 1.00 0.99 H new ATOM 0 HB3 LEU A 45 2.406 1.493 -7.769 1.00 0.99 H new ATOM 0 HG LEU A 45 2.713 2.861 -5.586 1.00 0.74 H new ATOM 0 HD11 LEU A 45 3.680 1.687 -3.686 1.00 0.97 H new ATOM 0 HD12 LEU A 45 1.992 1.203 -3.975 1.00 0.97 H new ATOM 0 HD13 LEU A 45 3.322 0.125 -4.460 1.00 0.97 H new ATOM 0 HD21 LEU A 45 5.156 2.260 -5.600 1.00 1.37 H new ATOM 0 HD22 LEU A 45 4.765 0.750 -6.457 1.00 1.37 H new ATOM 0 HD23 LEU A 45 4.503 2.319 -7.254 1.00 1.37 H new ATOM 681 N HIS A 46 -0.086 3.604 -5.616 1.00 0.66 N ATOM 682 CA HIS A 46 -0.452 5.024 -5.552 1.00 0.68 C ATOM 683 C HIS A 46 0.381 5.845 -4.546 1.00 0.71 C ATOM 684 O HIS A 46 0.901 5.346 -3.542 1.00 0.77 O ATOM 685 CB HIS A 46 -1.927 5.159 -5.120 1.00 0.72 C ATOM 686 CG HIS A 46 -3.014 4.781 -6.087 1.00 0.70 C ATOM 687 ND1 HIS A 46 -4.368 4.860 -5.798 1.00 0.76 N ATOM 688 CD2 HIS A 46 -2.890 4.231 -7.329 1.00 0.67 C ATOM 689 CE1 HIS A 46 -5.027 4.315 -6.816 1.00 0.77 C ATOM 690 NE2 HIS A 46 -4.162 3.938 -7.776 1.00 0.72 N ATOM 0 H HIS A 46 -0.164 3.142 -4.710 1.00 0.66 H new ATOM 0 HA HIS A 46 -0.264 5.415 -6.552 1.00 0.68 H new ATOM 0 HB2 HIS A 46 -2.062 4.555 -4.223 1.00 0.72 H new ATOM 0 HB3 HIS A 46 -2.091 6.198 -4.833 1.00 0.72 H new ATOM 0 HD2 HIS A 46 -1.968 4.057 -7.863 1.00 0.67 H new ATOM 0 HE1 HIS A 46 -6.099 4.193 -6.865 1.00 0.77 H new ATOM 0 HE2 HIS A 46 -4.403 3.513 -8.671 1.00 0.72 H new ATOM 698 N GLU A 47 0.357 7.158 -4.767 1.00 0.67 N ATOM 699 CA GLU A 47 0.715 8.194 -3.797 1.00 0.74 C ATOM 700 C GLU A 47 -0.476 9.122 -3.552 1.00 0.80 C ATOM 701 O GLU A 47 -1.277 9.331 -4.467 1.00 1.30 O ATOM 702 CB GLU A 47 1.977 8.928 -4.269 1.00 1.11 C ATOM 703 CG GLU A 47 1.811 9.934 -5.410 1.00 1.45 C ATOM 704 CD GLU A 47 3.142 10.547 -5.859 1.00 2.46 C ATOM 705 OE1 GLU A 47 4.191 9.859 -5.858 1.00 3.92 O ATOM 706 OE2 GLU A 47 3.109 11.692 -6.360 1.00 2.62 O ATOM 0 H GLU A 47 0.075 7.547 -5.667 1.00 0.67 H new ATOM 0 HA GLU A 47 0.954 7.745 -2.833 1.00 0.74 H new ATOM 0 HB2 GLU A 47 2.403 9.453 -3.414 1.00 1.11 H new ATOM 0 HB3 GLU A 47 2.707 8.181 -4.580 1.00 1.11 H new ATOM 0 HG2 GLU A 47 1.339 9.439 -6.259 1.00 1.45 H new ATOM 0 HG3 GLU A 47 1.138 10.730 -5.091 1.00 1.45 H new ATOM 713 N THR A 48 -0.604 9.655 -2.329 1.00 0.69 N ATOM 714 CA THR A 48 -1.601 10.682 -1.994 1.00 0.63 C ATOM 715 C THR A 48 -0.857 11.994 -1.789 1.00 0.66 C ATOM 716 O THR A 48 0.227 11.998 -1.212 1.00 0.68 O ATOM 717 CB THR A 48 -2.403 10.303 -0.749 1.00 0.58 C ATOM 718 OG1 THR A 48 -2.905 9.001 -0.891 1.00 0.82 O ATOM 719 CG2 THR A 48 -3.581 11.226 -0.436 1.00 0.59 C ATOM 0 H THR A 48 -0.016 9.385 -1.540 1.00 0.69 H new ATOM 0 HA THR A 48 -2.323 10.777 -2.805 1.00 0.63 H new ATOM 0 HB THR A 48 -1.700 10.392 0.079 1.00 0.58 H new ATOM 0 HG1 THR A 48 -2.212 8.354 -0.643 1.00 0.82 H new ATOM 0 HG21 THR A 48 -4.088 10.877 0.463 1.00 0.59 H new ATOM 0 HG22 THR A 48 -3.216 12.240 -0.276 1.00 0.59 H new ATOM 0 HG23 THR A 48 -4.280 11.220 -1.272 1.00 0.59 H new ATOM 727 N PHE A 49 -1.438 13.079 -2.292 1.00 0.72 N ATOM 728 CA PHE A 49 -0.864 14.415 -2.366 1.00 0.74 C ATOM 729 C PHE A 49 -1.820 15.479 -1.816 1.00 0.74 C ATOM 730 O PHE A 49 -3.018 15.261 -1.630 1.00 0.75 O ATOM 731 CB PHE A 49 -0.521 14.721 -3.837 1.00 0.68 C ATOM 732 CG PHE A 49 -1.706 14.700 -4.796 1.00 0.60 C ATOM 733 CD1 PHE A 49 -2.625 15.765 -4.790 1.00 1.91 C ATOM 734 CD2 PHE A 49 -1.915 13.624 -5.683 1.00 1.94 C ATOM 735 CE1 PHE A 49 -3.751 15.759 -5.626 1.00 2.09 C ATOM 736 CE2 PHE A 49 -3.026 13.629 -6.551 1.00 1.93 C ATOM 737 CZ PHE A 49 -3.946 14.694 -6.519 1.00 0.99 C ATOM 0 H PHE A 49 -2.380 13.045 -2.682 1.00 0.72 H new ATOM 0 HA PHE A 49 0.035 14.443 -1.750 1.00 0.74 H new ATOM 0 HB2 PHE A 49 -0.050 15.703 -3.887 1.00 0.68 H new ATOM 0 HB3 PHE A 49 0.217 13.996 -4.180 1.00 0.68 H new ATOM 0 HD1 PHE A 49 -2.460 16.603 -4.129 1.00 1.91 H new ATOM 0 HD2 PHE A 49 -1.223 12.795 -5.697 1.00 1.94 H new ATOM 0 HE1 PHE A 49 -4.464 16.569 -5.583 1.00 2.09 H new ATOM 0 HE2 PHE A 49 -3.172 12.813 -7.243 1.00 1.93 H new ATOM 0 HZ PHE A 49 -4.800 14.692 -7.180 1.00 0.99 H new ATOM 747 N MET A 50 -1.286 16.692 -1.676 1.00 0.79 N ATOM 748 CA MET A 50 -2.044 17.899 -1.327 1.00 0.80 C ATOM 749 C MET A 50 -2.282 18.800 -2.549 1.00 0.67 C ATOM 750 O MET A 50 -1.396 18.968 -3.398 1.00 0.66 O ATOM 751 CB MET A 50 -1.306 18.670 -0.224 1.00 1.01 C ATOM 752 CG MET A 50 -1.155 17.847 1.058 1.00 2.42 C ATOM 753 SD MET A 50 -0.427 18.786 2.424 1.00 2.82 S ATOM 754 CE MET A 50 -1.639 18.414 3.717 1.00 3.97 C ATOM 0 H MET A 50 -0.290 16.870 -1.805 1.00 0.79 H new ATOM 0 HA MET A 50 -3.023 17.590 -0.962 1.00 0.80 H new ATOM 0 HB2 MET A 50 -0.319 18.961 -0.585 1.00 1.01 H new ATOM 0 HB3 MET A 50 -1.848 19.589 -0.001 1.00 1.01 H new ATOM 0 HG2 MET A 50 -2.134 17.476 1.361 1.00 2.42 H new ATOM 0 HG3 MET A 50 -0.533 16.976 0.852 1.00 2.42 H new ATOM 0 HE1 MET A 50 -1.350 18.914 4.641 1.00 3.97 H new ATOM 0 HE2 MET A 50 -2.623 18.766 3.406 1.00 3.97 H new ATOM 0 HE3 MET A 50 -1.675 17.337 3.883 1.00 3.97 H new ATOM 764 N ARG A 51 -3.474 19.402 -2.625 1.00 0.80 N ATOM 765 CA ARG A 51 -3.858 20.388 -3.643 1.00 0.90 C ATOM 766 C ARG A 51 -4.720 21.520 -3.069 1.00 1.13 C ATOM 767 O ARG A 51 -5.582 21.309 -2.215 1.00 1.23 O ATOM 768 CB ARG A 51 -4.607 19.737 -4.823 1.00 1.02 C ATOM 769 CG ARG A 51 -3.714 19.134 -5.921 1.00 1.18 C ATOM 770 CD ARG A 51 -2.814 20.119 -6.674 1.00 2.15 C ATOM 771 NE ARG A 51 -1.537 20.316 -5.965 1.00 3.92 N ATOM 772 CZ ARG A 51 -0.628 21.256 -6.176 1.00 5.26 C ATOM 773 NH1 ARG A 51 -0.795 22.199 -7.082 1.00 5.36 N ATOM 774 NH2 ARG A 51 0.467 21.258 -5.449 1.00 6.90 N ATOM 0 H ARG A 51 -4.222 19.211 -1.959 1.00 0.80 H new ATOM 0 HA ARG A 51 -2.921 20.812 -4.003 1.00 0.90 H new ATOM 0 HB2 ARG A 51 -5.253 18.951 -4.432 1.00 1.02 H new ATOM 0 HB3 ARG A 51 -5.256 20.486 -5.277 1.00 1.02 H new ATOM 0 HG2 ARG A 51 -3.083 18.369 -5.468 1.00 1.18 H new ATOM 0 HG3 ARG A 51 -4.354 18.631 -6.646 1.00 1.18 H new ATOM 0 HD2 ARG A 51 -2.622 19.746 -7.680 1.00 2.15 H new ATOM 0 HD3 ARG A 51 -3.326 21.075 -6.782 1.00 2.15 H new ATOM 0 HE ARG A 51 -1.328 19.648 -5.223 1.00 3.92 H new ATOM 0 HH11 ARG A 51 -1.645 22.220 -7.646 1.00 5.36 H new ATOM 0 HH12 ARG A 51 -0.075 22.908 -7.219 1.00 5.36 H new ATOM 0 HH21 ARG A 51 0.607 20.543 -4.735 1.00 6.90 H new ATOM 0 HH22 ARG A 51 1.177 21.975 -5.599 1.00 6.90 H new ATOM 788 N GLU A 52 -4.525 22.720 -3.606 1.00 1.29 N ATOM 789 CA GLU A 52 -5.588 23.682 -3.750 1.00 1.34 C ATOM 790 C GLU A 52 -6.403 23.297 -4.992 1.00 1.48 C ATOM 791 O GLU A 52 -5.793 23.022 -6.027 1.00 1.48 O ATOM 792 CB GLU A 52 -4.914 25.028 -3.993 1.00 1.40 C ATOM 793 CG GLU A 52 -5.892 26.168 -3.782 1.00 1.63 C ATOM 794 CD GLU A 52 -5.997 26.554 -2.314 1.00 1.71 C ATOM 795 OE1 GLU A 52 -4.959 26.697 -1.634 1.00 1.97 O ATOM 796 OE2 GLU A 52 -7.129 26.725 -1.816 1.00 2.57 O ATOM 0 H GLU A 52 -3.621 23.044 -3.951 1.00 1.29 H new ATOM 0 HA GLU A 52 -6.240 23.718 -2.877 1.00 1.34 H new ATOM 0 HB2 GLU A 52 -4.066 25.142 -3.318 1.00 1.40 H new ATOM 0 HB3 GLU A 52 -4.520 25.064 -5.009 1.00 1.40 H new ATOM 0 HG2 GLU A 52 -5.574 27.033 -4.364 1.00 1.63 H new ATOM 0 HG3 GLU A 52 -6.875 25.878 -4.153 1.00 1.63 H new ATOM 803 N VAL A 53 -7.733 23.301 -4.910 1.00 1.73 N ATOM 804 CA VAL A 53 -8.647 23.275 -6.069 1.00 1.99 C ATOM 805 C VAL A 53 -9.880 24.097 -5.682 1.00 2.46 C ATOM 806 O VAL A 53 -10.316 24.006 -4.538 1.00 2.75 O ATOM 807 CB VAL A 53 -9.076 21.844 -6.497 1.00 2.13 C ATOM 808 CG1 VAL A 53 -9.716 21.879 -7.897 1.00 2.09 C ATOM 809 CG2 VAL A 53 -7.932 20.817 -6.564 1.00 2.71 C ATOM 0 H VAL A 53 -8.225 23.323 -4.017 1.00 1.73 H new ATOM 0 HA VAL A 53 -8.125 23.690 -6.931 1.00 1.99 H new ATOM 0 HB VAL A 53 -9.770 21.527 -5.719 1.00 2.13 H new ATOM 0 HG11 VAL A 53 -10.013 20.871 -8.187 1.00 2.09 H new ATOM 0 HG12 VAL A 53 -10.594 22.525 -7.880 1.00 2.09 H new ATOM 0 HG13 VAL A 53 -8.995 22.266 -8.617 1.00 2.09 H new ATOM 0 HG21 VAL A 53 -8.329 19.849 -6.871 1.00 2.71 H new ATOM 0 HG22 VAL A 53 -7.187 21.149 -7.287 1.00 2.71 H new ATOM 0 HG23 VAL A 53 -7.469 20.724 -5.582 1.00 2.71 H new ATOM 819 N GLU A 54 -10.384 24.946 -6.589 1.00 2.74 N ATOM 820 CA GLU A 54 -11.538 25.848 -6.378 1.00 3.23 C ATOM 821 C GLU A 54 -11.281 26.963 -5.335 1.00 3.10 C ATOM 822 O GLU A 54 -12.222 27.575 -4.833 1.00 3.40 O ATOM 823 CB GLU A 54 -12.807 25.077 -5.958 1.00 3.61 C ATOM 824 CG GLU A 54 -13.252 23.860 -6.777 1.00 4.33 C ATOM 825 CD GLU A 54 -14.355 23.156 -5.992 1.00 4.78 C ATOM 826 OE1 GLU A 54 -15.505 23.645 -5.971 1.00 4.75 O ATOM 827 OE2 GLU A 54 -14.035 22.262 -5.183 1.00 5.53 O ATOM 0 H GLU A 54 -9.989 25.031 -7.525 1.00 2.74 H new ATOM 0 HA GLU A 54 -11.687 26.319 -7.350 1.00 3.23 H new ATOM 0 HB2 GLU A 54 -12.663 24.745 -4.930 1.00 3.61 H new ATOM 0 HB3 GLU A 54 -13.634 25.787 -5.951 1.00 3.61 H new ATOM 0 HG2 GLU A 54 -13.617 24.170 -7.756 1.00 4.33 H new ATOM 0 HG3 GLU A 54 -12.413 23.186 -6.948 1.00 4.33 H new ATOM 834 N GLY A 55 -10.022 27.196 -4.945 1.00 2.74 N ATOM 835 CA GLY A 55 -9.680 28.047 -3.789 1.00 2.67 C ATOM 836 C GLY A 55 -9.970 27.373 -2.441 1.00 2.45 C ATOM 837 O GLY A 55 -10.231 28.046 -1.443 1.00 2.65 O ATOM 0 H GLY A 55 -9.209 26.802 -5.419 1.00 2.74 H new ATOM 0 HA2 GLY A 55 -8.623 28.309 -3.838 1.00 2.67 H new ATOM 0 HA3 GLY A 55 -10.243 28.979 -3.852 1.00 2.67 H new ATOM 841 N LYS A 56 -9.935 26.038 -2.411 1.00 2.18 N ATOM 842 CA LYS A 56 -10.147 25.187 -1.254 1.00 2.05 C ATOM 843 C LYS A 56 -9.013 24.157 -1.174 1.00 1.73 C ATOM 844 O LYS A 56 -8.519 23.618 -2.170 1.00 1.53 O ATOM 845 CB LYS A 56 -11.513 24.482 -1.342 1.00 2.40 C ATOM 846 CG LYS A 56 -12.707 25.450 -1.223 1.00 2.89 C ATOM 847 CD LYS A 56 -14.058 24.745 -1.430 1.00 3.54 C ATOM 848 CE LYS A 56 -14.183 24.305 -2.893 1.00 3.87 C ATOM 849 NZ LYS A 56 -15.450 23.616 -3.217 1.00 4.63 N ATOM 0 H LYS A 56 -9.745 25.495 -3.253 1.00 2.18 H new ATOM 0 HA LYS A 56 -10.145 25.798 -0.352 1.00 2.05 H new ATOM 0 HB2 LYS A 56 -11.579 23.950 -2.291 1.00 2.40 H new ATOM 0 HB3 LYS A 56 -11.580 23.734 -0.552 1.00 2.40 H new ATOM 0 HG2 LYS A 56 -12.693 25.920 -0.240 1.00 2.89 H new ATOM 0 HG3 LYS A 56 -12.600 26.247 -1.959 1.00 2.89 H new ATOM 0 HD2 LYS A 56 -14.134 23.880 -0.771 1.00 3.54 H new ATOM 0 HD3 LYS A 56 -14.875 25.417 -1.170 1.00 3.54 H new ATOM 0 HE2 LYS A 56 -14.086 25.182 -3.533 1.00 3.87 H new ATOM 0 HE3 LYS A 56 -13.351 23.642 -3.133 1.00 3.87 H new ATOM 0 HZ1 LYS A 56 -15.787 23.930 -4.149 1.00 4.63 H new ATOM 0 HZ2 LYS A 56 -15.292 22.588 -3.234 1.00 4.63 H new ATOM 0 HZ3 LYS A 56 -16.164 23.844 -2.496 1.00 4.63 H new ATOM 863 N LYS A 57 -8.625 23.863 0.059 1.00 1.80 N ATOM 864 CA LYS A 57 -7.587 22.902 0.435 1.00 1.68 C ATOM 865 C LYS A 57 -8.175 21.479 0.418 1.00 1.59 C ATOM 866 O LYS A 57 -9.115 21.202 1.158 1.00 1.75 O ATOM 867 CB LYS A 57 -7.004 23.248 1.829 1.00 1.92 C ATOM 868 CG LYS A 57 -6.903 24.735 2.222 1.00 1.94 C ATOM 869 CD LYS A 57 -6.142 25.617 1.227 1.00 2.29 C ATOM 870 CE LYS A 57 -6.331 27.100 1.583 1.00 3.21 C ATOM 871 NZ LYS A 57 -6.162 27.953 0.386 1.00 4.09 N ATOM 0 H LYS A 57 -9.047 24.311 0.872 1.00 1.80 H new ATOM 0 HA LYS A 57 -6.771 22.953 -0.286 1.00 1.68 H new ATOM 0 HB2 LYS A 57 -7.613 22.745 2.580 1.00 1.92 H new ATOM 0 HB3 LYS A 57 -6.004 22.818 1.889 1.00 1.92 H new ATOM 0 HG2 LYS A 57 -7.911 25.133 2.341 1.00 1.94 H new ATOM 0 HG3 LYS A 57 -6.416 24.806 3.194 1.00 1.94 H new ATOM 0 HD2 LYS A 57 -5.082 25.364 1.242 1.00 2.29 H new ATOM 0 HD3 LYS A 57 -6.501 25.429 0.215 1.00 2.29 H new ATOM 0 HE2 LYS A 57 -7.323 27.253 2.007 1.00 3.21 H new ATOM 0 HE3 LYS A 57 -5.610 27.390 2.347 1.00 3.21 H new ATOM 0 HZ1 LYS A 57 -6.006 28.938 0.681 1.00 4.09 H new ATOM 0 HZ2 LYS A 57 -5.343 27.622 -0.163 1.00 4.09 H new ATOM 0 HZ3 LYS A 57 -7.018 27.899 -0.202 1.00 4.09 H new ATOM 885 N VAL A 58 -7.631 20.593 -0.411 1.00 1.45 N ATOM 886 CA VAL A 58 -8.067 19.213 -0.611 1.00 1.45 C ATOM 887 C VAL A 58 -6.860 18.267 -0.739 1.00 1.30 C ATOM 888 O VAL A 58 -5.714 18.707 -0.862 1.00 1.32 O ATOM 889 CB VAL A 58 -8.969 19.118 -1.863 1.00 1.54 C ATOM 890 CG1 VAL A 58 -10.335 19.792 -1.649 1.00 2.53 C ATOM 891 CG2 VAL A 58 -8.315 19.675 -3.138 1.00 1.92 C ATOM 0 H VAL A 58 -6.829 20.831 -0.994 1.00 1.45 H new ATOM 0 HA VAL A 58 -8.643 18.903 0.261 1.00 1.45 H new ATOM 0 HB VAL A 58 -9.119 18.049 -2.011 1.00 1.54 H new ATOM 0 HG11 VAL A 58 -10.933 19.699 -2.556 1.00 2.53 H new ATOM 0 HG12 VAL A 58 -10.854 19.308 -0.821 1.00 2.53 H new ATOM 0 HG13 VAL A 58 -10.188 20.847 -1.418 1.00 2.53 H new ATOM 0 HG21 VAL A 58 -9.006 19.575 -3.975 1.00 1.92 H new ATOM 0 HG22 VAL A 58 -8.072 20.727 -2.992 1.00 1.92 H new ATOM 0 HG23 VAL A 58 -7.403 19.118 -3.352 1.00 1.92 H new ATOM 901 N MET A 59 -7.117 16.956 -0.717 1.00 1.24 N ATOM 902 CA MET A 59 -6.123 15.898 -0.940 1.00 1.12 C ATOM 903 C MET A 59 -6.665 14.839 -1.903 1.00 1.34 C ATOM 904 O MET A 59 -7.832 14.455 -1.825 1.00 2.02 O ATOM 905 CB MET A 59 -5.684 15.260 0.387 1.00 1.36 C ATOM 906 CG MET A 59 -4.980 16.275 1.296 1.00 1.26 C ATOM 907 SD MET A 59 -4.062 15.536 2.669 1.00 2.76 S ATOM 908 CE MET A 59 -5.376 15.450 3.909 1.00 2.81 C ATOM 0 H MET A 59 -8.052 16.589 -0.538 1.00 1.24 H new ATOM 0 HA MET A 59 -5.244 16.354 -1.396 1.00 1.12 H new ATOM 0 HB2 MET A 59 -6.555 14.853 0.901 1.00 1.36 H new ATOM 0 HB3 MET A 59 -5.013 14.425 0.185 1.00 1.36 H new ATOM 0 HG2 MET A 59 -4.293 16.869 0.693 1.00 1.26 H new ATOM 0 HG3 MET A 59 -5.725 16.961 1.700 1.00 1.26 H new ATOM 0 HE1 MET A 59 -4.982 15.015 4.827 1.00 2.81 H new ATOM 0 HE2 MET A 59 -5.749 16.453 4.114 1.00 2.81 H new ATOM 0 HE3 MET A 59 -6.190 14.829 3.534 1.00 2.81 H new ATOM 918 N GLY A 60 -5.808 14.397 -2.825 1.00 0.87 N ATOM 919 CA GLY A 60 -6.109 13.418 -3.879 1.00 1.03 C ATOM 920 C GLY A 60 -4.979 12.406 -4.046 1.00 0.70 C ATOM 921 O GLY A 60 -3.936 12.546 -3.423 1.00 0.77 O ATOM 0 H GLY A 60 -4.842 14.724 -2.862 1.00 0.87 H new ATOM 0 HA2 GLY A 60 -7.034 12.895 -3.637 1.00 1.03 H new ATOM 0 HA3 GLY A 60 -6.275 13.938 -4.823 1.00 1.03 H new ATOM 925 N MET A 61 -5.157 11.393 -4.895 1.00 0.86 N ATOM 926 CA MET A 61 -4.151 10.340 -5.133 1.00 0.82 C ATOM 927 C MET A 61 -3.966 10.057 -6.624 1.00 0.76 C ATOM 928 O MET A 61 -4.940 10.027 -7.372 1.00 0.92 O ATOM 929 CB MET A 61 -4.460 9.033 -4.369 1.00 1.46 C ATOM 930 CG MET A 61 -5.951 8.839 -4.090 1.00 1.32 C ATOM 931 SD MET A 61 -6.536 7.167 -3.679 1.00 0.99 S ATOM 932 CE MET A 61 -6.564 7.388 -1.895 1.00 1.62 C ATOM 0 H MET A 61 -6.008 11.273 -5.444 1.00 0.86 H new ATOM 0 HA MET A 61 -3.213 10.731 -4.739 1.00 0.82 H new ATOM 0 HB2 MET A 61 -4.091 8.186 -4.947 1.00 1.46 H new ATOM 0 HB3 MET A 61 -3.917 9.035 -3.424 1.00 1.46 H new ATOM 0 HG2 MET A 61 -6.225 9.499 -3.267 1.00 1.32 H new ATOM 0 HG3 MET A 61 -6.501 9.178 -4.968 1.00 1.32 H new ATOM 0 HE1 MET A 61 -6.901 6.467 -1.419 1.00 1.62 H new ATOM 0 HE2 MET A 61 -5.562 7.633 -1.543 1.00 1.62 H new ATOM 0 HE3 MET A 61 -7.247 8.199 -1.639 1.00 1.62 H new ATOM 942 N ARG A 62 -2.714 9.812 -7.028 1.00 0.84 N ATOM 943 CA ARG A 62 -2.326 9.382 -8.376 1.00 0.80 C ATOM 944 C ARG A 62 -1.566 8.046 -8.309 1.00 0.75 C ATOM 945 O ARG A 62 -0.961 7.752 -7.273 1.00 0.76 O ATOM 946 CB ARG A 62 -1.481 10.470 -9.075 1.00 0.85 C ATOM 947 CG ARG A 62 -0.059 10.631 -8.509 1.00 2.58 C ATOM 948 CD ARG A 62 0.805 11.563 -9.363 1.00 3.02 C ATOM 949 NE ARG A 62 2.204 11.512 -8.917 1.00 4.41 N ATOM 950 CZ ARG A 62 3.174 10.703 -9.324 1.00 5.37 C ATOM 951 NH1 ARG A 62 3.021 9.820 -10.287 1.00 5.41 N ATOM 952 NH2 ARG A 62 4.321 10.753 -8.690 1.00 6.67 N ATOM 0 H ARG A 62 -1.915 9.911 -6.402 1.00 0.84 H new ATOM 0 HA ARG A 62 -3.228 9.232 -8.969 1.00 0.80 H new ATOM 0 HB2 ARG A 62 -1.412 10.233 -10.137 1.00 0.85 H new ATOM 0 HB3 ARG A 62 -2.001 11.424 -8.995 1.00 0.85 H new ATOM 0 HG2 ARG A 62 -0.117 11.022 -7.493 1.00 2.58 H new ATOM 0 HG3 ARG A 62 0.418 9.653 -8.447 1.00 2.58 H new ATOM 0 HD2 ARG A 62 0.740 11.272 -10.411 1.00 3.02 H new ATOM 0 HD3 ARG A 62 0.430 12.584 -9.292 1.00 3.02 H new ATOM 0 HE ARG A 62 2.464 12.188 -8.199 1.00 4.41 H new ATOM 0 HH11 ARG A 62 2.122 9.733 -10.761 1.00 5.41 H new ATOM 0 HH12 ARG A 62 3.801 9.223 -10.560 1.00 5.41 H new ATOM 0 HH21 ARG A 62 4.445 11.400 -7.911 1.00 6.67 H new ATOM 0 HH22 ARG A 62 5.089 10.145 -8.976 1.00 6.67 H new ATOM 966 N PRO A 63 -1.544 7.245 -9.391 1.00 0.73 N ATOM 967 CA PRO A 63 -0.683 6.079 -9.468 1.00 0.71 C ATOM 968 C PRO A 63 0.780 6.473 -9.694 1.00 0.72 C ATOM 969 O PRO A 63 1.074 7.565 -10.186 1.00 0.79 O ATOM 970 CB PRO A 63 -1.242 5.231 -10.606 1.00 0.73 C ATOM 971 CG PRO A 63 -1.796 6.285 -11.563 1.00 0.76 C ATOM 972 CD PRO A 63 -2.329 7.366 -10.614 1.00 0.76 C ATOM 0 HA PRO A 63 -0.678 5.518 -8.533 1.00 0.71 H new ATOM 0 HB2 PRO A 63 -0.469 4.622 -11.076 1.00 0.73 H new ATOM 0 HB3 PRO A 63 -2.019 4.549 -10.260 1.00 0.73 H new ATOM 0 HG2 PRO A 63 -1.023 6.675 -12.225 1.00 0.76 H new ATOM 0 HG3 PRO A 63 -2.585 5.880 -12.197 1.00 0.76 H new ATOM 0 HD2 PRO A 63 -2.220 8.358 -11.052 1.00 0.76 H new ATOM 0 HD3 PRO A 63 -3.390 7.221 -10.413 1.00 0.76 H new ATOM 980 N VAL A 64 1.680 5.549 -9.349 1.00 0.67 N ATOM 981 CA VAL A 64 3.143 5.651 -9.517 1.00 0.68 C ATOM 982 C VAL A 64 3.711 4.344 -10.100 1.00 0.61 C ATOM 983 O VAL A 64 3.075 3.298 -9.947 1.00 0.58 O ATOM 984 CB VAL A 64 3.875 5.965 -8.187 1.00 0.83 C ATOM 985 CG1 VAL A 64 4.015 7.474 -7.996 1.00 1.31 C ATOM 986 CG2 VAL A 64 3.213 5.341 -6.956 1.00 0.63 C ATOM 0 H VAL A 64 1.401 4.665 -8.924 1.00 0.67 H new ATOM 0 HA VAL A 64 3.317 6.479 -10.204 1.00 0.68 H new ATOM 0 HB VAL A 64 4.860 5.507 -8.273 1.00 0.83 H new ATOM 0 HG11 VAL A 64 4.531 7.676 -7.057 1.00 1.31 H new ATOM 0 HG12 VAL A 64 4.588 7.894 -8.823 1.00 1.31 H new ATOM 0 HG13 VAL A 64 3.026 7.931 -7.971 1.00 1.31 H new ATOM 0 HG21 VAL A 64 3.782 5.605 -6.064 1.00 0.63 H new ATOM 0 HG22 VAL A 64 2.194 5.717 -6.861 1.00 0.63 H new ATOM 0 HG23 VAL A 64 3.191 4.257 -7.065 1.00 0.63 H new ATOM 996 N PRO A 65 4.885 4.382 -10.767 1.00 0.62 N ATOM 997 CA PRO A 65 5.468 3.224 -11.440 1.00 0.62 C ATOM 998 C PRO A 65 6.180 2.271 -10.475 1.00 0.59 C ATOM 999 O PRO A 65 6.307 1.094 -10.797 1.00 0.60 O ATOM 1000 CB PRO A 65 6.438 3.816 -12.465 1.00 0.66 C ATOM 1001 CG PRO A 65 6.944 5.081 -11.772 1.00 0.69 C ATOM 1002 CD PRO A 65 5.714 5.560 -11.002 1.00 0.67 C ATOM 0 HA PRO A 65 4.697 2.609 -11.904 1.00 0.62 H new ATOM 0 HB2 PRO A 65 7.252 3.128 -12.694 1.00 0.66 H new ATOM 0 HB3 PRO A 65 5.939 4.044 -13.407 1.00 0.66 H new ATOM 0 HG2 PRO A 65 7.781 4.870 -11.106 1.00 0.69 H new ATOM 0 HG3 PRO A 65 7.287 5.826 -12.490 1.00 0.69 H new ATOM 0 HD2 PRO A 65 6.004 6.024 -10.059 1.00 0.67 H new ATOM 0 HD3 PRO A 65 5.168 6.311 -11.573 1.00 0.67 H new ATOM 1010 N PHE A 66 6.629 2.772 -9.314 1.00 0.56 N ATOM 1011 CA PHE A 66 7.357 2.030 -8.275 1.00 0.56 C ATOM 1012 C PHE A 66 7.643 2.908 -7.043 1.00 0.56 C ATOM 1013 O PHE A 66 7.579 4.135 -7.117 1.00 0.57 O ATOM 1014 CB PHE A 66 8.661 1.421 -8.836 1.00 0.57 C ATOM 1015 CG PHE A 66 9.681 2.419 -9.319 1.00 0.60 C ATOM 1016 CD1 PHE A 66 10.614 2.940 -8.413 1.00 1.87 C ATOM 1017 CD2 PHE A 66 9.690 2.825 -10.660 1.00 1.92 C ATOM 1018 CE1 PHE A 66 11.530 3.917 -8.821 1.00 1.92 C ATOM 1019 CE2 PHE A 66 10.626 3.790 -11.085 1.00 1.93 C ATOM 1020 CZ PHE A 66 11.538 4.343 -10.163 1.00 0.75 C ATOM 0 H PHE A 66 6.488 3.750 -9.063 1.00 0.56 H new ATOM 0 HA PHE A 66 6.714 1.212 -7.951 1.00 0.56 H new ATOM 0 HB2 PHE A 66 9.118 0.805 -8.061 1.00 0.57 H new ATOM 0 HB3 PHE A 66 8.407 0.757 -9.662 1.00 0.57 H new ATOM 0 HD1 PHE A 66 10.627 2.586 -7.393 1.00 1.87 H new ATOM 0 HD2 PHE A 66 8.986 2.403 -11.362 1.00 1.92 H new ATOM 0 HE1 PHE A 66 12.225 4.341 -8.112 1.00 1.92 H new ATOM 0 HE2 PHE A 66 10.644 4.106 -12.118 1.00 1.93 H new ATOM 0 HZ PHE A 66 12.243 5.094 -10.486 1.00 0.75 H new ATOM 1030 N LEU A 67 8.023 2.266 -5.931 1.00 0.56 N ATOM 1031 CA LEU A 67 8.811 2.858 -4.840 1.00 0.69 C ATOM 1032 C LEU A 67 10.219 2.254 -4.839 1.00 0.79 C ATOM 1033 O LEU A 67 10.433 1.150 -5.338 1.00 0.80 O ATOM 1034 CB LEU A 67 8.187 2.592 -3.449 1.00 0.70 C ATOM 1035 CG LEU A 67 6.684 2.843 -3.262 1.00 0.69 C ATOM 1036 CD1 LEU A 67 6.318 2.663 -1.784 1.00 0.77 C ATOM 1037 CD2 LEU A 67 6.241 4.233 -3.725 1.00 0.70 C ATOM 0 H LEU A 67 7.783 1.289 -5.759 1.00 0.56 H new ATOM 0 HA LEU A 67 8.833 3.934 -5.015 1.00 0.69 H new ATOM 0 HB2 LEU A 67 8.384 1.552 -3.190 1.00 0.70 H new ATOM 0 HB3 LEU A 67 8.719 3.207 -2.723 1.00 0.70 H new ATOM 0 HG LEU A 67 6.162 2.117 -3.886 1.00 0.69 H new ATOM 0 HD11 LEU A 67 5.251 2.841 -1.649 1.00 0.77 H new ATOM 0 HD12 LEU A 67 6.559 1.647 -1.471 1.00 0.77 H new ATOM 0 HD13 LEU A 67 6.883 3.373 -1.180 1.00 0.77 H new ATOM 0 HD21 LEU A 67 5.169 4.345 -3.565 1.00 0.70 H new ATOM 0 HD22 LEU A 67 6.774 4.994 -3.155 1.00 0.70 H new ATOM 0 HD23 LEU A 67 6.464 4.352 -4.785 1.00 0.70 H new ATOM 1049 N GLU A 68 11.178 2.928 -4.215 1.00 0.94 N ATOM 1050 CA GLU A 68 12.540 2.439 -4.034 1.00 1.09 C ATOM 1051 C GLU A 68 12.993 2.686 -2.604 1.00 1.06 C ATOM 1052 O GLU A 68 12.568 3.668 -1.993 1.00 1.13 O ATOM 1053 CB GLU A 68 13.464 3.121 -5.045 1.00 1.52 C ATOM 1054 CG GLU A 68 14.939 2.748 -4.825 1.00 1.61 C ATOM 1055 CD GLU A 68 15.770 2.824 -6.110 1.00 1.31 C ATOM 1056 OE1 GLU A 68 15.239 3.214 -7.172 1.00 1.87 O ATOM 1057 OE2 GLU A 68 16.920 2.340 -6.110 1.00 2.25 O ATOM 0 H GLU A 68 11.026 3.852 -3.811 1.00 0.94 H new ATOM 0 HA GLU A 68 12.576 1.364 -4.211 1.00 1.09 H new ATOM 0 HB2 GLU A 68 13.166 2.839 -6.055 1.00 1.52 H new ATOM 0 HB3 GLU A 68 13.349 4.202 -4.969 1.00 1.52 H new ATOM 0 HG2 GLU A 68 15.370 3.416 -4.079 1.00 1.61 H new ATOM 0 HG3 GLU A 68 14.997 1.738 -4.420 1.00 1.61 H new ATOM 1064 N VAL A 69 13.850 1.800 -2.085 1.00 1.05 N ATOM 1065 CA VAL A 69 14.402 1.925 -0.739 1.00 1.06 C ATOM 1066 C VAL A 69 15.876 1.482 -0.674 1.00 1.12 C ATOM 1067 O VAL A 69 16.190 0.366 -1.100 1.00 1.13 O ATOM 1068 CB VAL A 69 13.551 1.133 0.299 1.00 0.93 C ATOM 1069 CG1 VAL A 69 14.013 1.353 1.750 1.00 0.95 C ATOM 1070 CG2 VAL A 69 12.055 1.486 0.253 1.00 0.95 C ATOM 0 H VAL A 69 14.178 0.977 -2.590 1.00 1.05 H new ATOM 0 HA VAL A 69 14.363 2.984 -0.482 1.00 1.06 H new ATOM 0 HB VAL A 69 13.700 0.093 0.007 1.00 0.93 H new ATOM 0 HG11 VAL A 69 13.381 0.775 2.425 1.00 0.95 H new ATOM 0 HG12 VAL A 69 15.048 1.029 1.855 1.00 0.95 H new ATOM 0 HG13 VAL A 69 13.937 2.411 1.999 1.00 0.95 H new ATOM 0 HG21 VAL A 69 11.520 0.900 1.000 1.00 0.95 H new ATOM 0 HG22 VAL A 69 11.925 2.548 0.463 1.00 0.95 H new ATOM 0 HG23 VAL A 69 11.658 1.261 -0.737 1.00 0.95 H new ATOM 1080 N PRO A 70 16.779 2.317 -0.117 1.00 1.22 N ATOM 1081 CA PRO A 70 18.189 1.983 0.066 1.00 1.27 C ATOM 1082 C PRO A 70 18.381 0.943 1.186 1.00 1.11 C ATOM 1083 O PRO A 70 17.477 0.753 2.004 1.00 1.01 O ATOM 1084 CB PRO A 70 18.875 3.315 0.406 1.00 1.43 C ATOM 1085 CG PRO A 70 17.784 4.087 1.138 1.00 1.41 C ATOM 1086 CD PRO A 70 16.523 3.661 0.396 1.00 1.32 C ATOM 0 HA PRO A 70 18.617 1.527 -0.827 1.00 1.27 H new ATOM 0 HB2 PRO A 70 19.754 3.167 1.033 1.00 1.43 H new ATOM 0 HB3 PRO A 70 19.207 3.838 -0.491 1.00 1.43 H new ATOM 0 HG2 PRO A 70 17.741 3.825 2.195 1.00 1.41 H new ATOM 0 HG3 PRO A 70 17.943 5.164 1.083 1.00 1.41 H new ATOM 0 HD2 PRO A 70 15.661 3.664 1.063 1.00 1.32 H new ATOM 0 HD3 PRO A 70 16.300 4.351 -0.418 1.00 1.32 H new ATOM 1094 N PRO A 71 19.544 0.269 1.246 1.00 1.16 N ATOM 1095 CA PRO A 71 19.819 -0.764 2.239 1.00 1.08 C ATOM 1096 C PRO A 71 19.705 -0.257 3.676 1.00 1.03 C ATOM 1097 O PRO A 71 20.071 0.875 3.985 1.00 1.10 O ATOM 1098 CB PRO A 71 21.197 -1.321 1.903 1.00 1.23 C ATOM 1099 CG PRO A 71 21.843 -0.278 0.996 1.00 1.40 C ATOM 1100 CD PRO A 71 20.656 0.394 0.318 1.00 1.35 C ATOM 0 HA PRO A 71 19.069 -1.553 2.193 1.00 1.08 H new ATOM 0 HB2 PRO A 71 21.788 -1.478 2.805 1.00 1.23 H new ATOM 0 HB3 PRO A 71 21.120 -2.285 1.401 1.00 1.23 H new ATOM 0 HG2 PRO A 71 22.436 0.437 1.566 1.00 1.40 H new ATOM 0 HG3 PRO A 71 22.512 -0.738 0.269 1.00 1.40 H new ATOM 0 HD2 PRO A 71 20.870 1.441 0.104 1.00 1.35 H new ATOM 0 HD3 PRO A 71 20.427 -0.086 -0.633 1.00 1.35 H new ATOM 1108 N LYS A 72 19.151 -1.117 4.543 1.00 0.98 N ATOM 1109 CA LYS A 72 18.886 -0.899 5.980 1.00 1.02 C ATOM 1110 C LYS A 72 17.758 0.110 6.270 1.00 1.06 C ATOM 1111 O LYS A 72 17.401 0.332 7.427 1.00 1.20 O ATOM 1112 CB LYS A 72 20.182 -0.564 6.738 1.00 1.13 C ATOM 1113 CG LYS A 72 21.367 -1.476 6.384 1.00 1.26 C ATOM 1114 CD LYS A 72 21.109 -2.973 6.627 1.00 1.30 C ATOM 1115 CE LYS A 72 22.261 -3.790 6.038 1.00 1.46 C ATOM 1116 NZ LYS A 72 21.982 -5.244 6.058 1.00 2.12 N ATOM 0 H LYS A 72 18.855 -2.046 4.243 1.00 0.98 H new ATOM 0 HA LYS A 72 18.507 -1.847 6.361 1.00 1.02 H new ATOM 0 HB2 LYS A 72 20.457 0.470 6.528 1.00 1.13 H new ATOM 0 HB3 LYS A 72 19.992 -0.632 7.809 1.00 1.13 H new ATOM 0 HG2 LYS A 72 21.622 -1.329 5.335 1.00 1.26 H new ATOM 0 HG3 LYS A 72 22.234 -1.169 6.969 1.00 1.26 H new ATOM 0 HD2 LYS A 72 21.019 -3.169 7.695 1.00 1.30 H new ATOM 0 HD3 LYS A 72 20.166 -3.270 6.168 1.00 1.30 H new ATOM 0 HE2 LYS A 72 22.443 -3.471 5.012 1.00 1.46 H new ATOM 0 HE3 LYS A 72 23.172 -3.589 6.601 1.00 1.46 H new ATOM 0 HZ1 LYS A 72 22.621 -5.711 6.732 1.00 2.12 H new ATOM 0 HZ2 LYS A 72 20.996 -5.404 6.348 1.00 2.12 H new ATOM 0 HZ3 LYS A 72 22.132 -5.639 5.108 1.00 2.12 H new ATOM 1130 N GLY A 73 17.181 0.707 5.226 1.00 1.07 N ATOM 1131 CA GLY A 73 16.105 1.705 5.299 1.00 1.15 C ATOM 1132 C GLY A 73 14.707 1.112 5.525 1.00 1.01 C ATOM 1133 O GLY A 73 14.443 -0.047 5.208 1.00 0.93 O ATOM 0 H GLY A 73 17.460 0.502 4.266 1.00 1.07 H new ATOM 0 HA2 GLY A 73 16.326 2.402 6.107 1.00 1.15 H new ATOM 0 HA3 GLY A 73 16.097 2.282 4.374 1.00 1.15 H new ATOM 1137 N ARG A 74 13.790 1.942 6.037 1.00 1.15 N ATOM 1138 CA ARG A 74 12.340 1.694 6.113 1.00 1.09 C ATOM 1139 C ARG A 74 11.585 2.856 5.459 1.00 1.42 C ATOM 1140 O ARG A 74 11.982 4.007 5.629 1.00 1.82 O ATOM 1141 CB ARG A 74 11.878 1.582 7.577 1.00 1.34 C ATOM 1142 CG ARG A 74 12.316 0.283 8.262 1.00 2.05 C ATOM 1143 CD ARG A 74 11.830 0.211 9.715 1.00 2.36 C ATOM 1144 NE ARG A 74 11.214 -1.071 10.117 1.00 3.25 N ATOM 1145 CZ ARG A 74 11.640 -2.318 9.940 1.00 4.84 C ATOM 1146 NH1 ARG A 74 12.801 -2.623 9.396 1.00 6.20 N ATOM 1147 NH2 ARG A 74 10.850 -3.300 10.291 1.00 5.67 N ATOM 0 H ARG A 74 14.048 2.848 6.429 1.00 1.15 H new ATOM 0 HA ARG A 74 12.130 0.758 5.595 1.00 1.09 H new ATOM 0 HB2 ARG A 74 12.271 2.429 8.139 1.00 1.34 H new ATOM 0 HB3 ARG A 74 10.791 1.653 7.612 1.00 1.34 H new ATOM 0 HG2 ARG A 74 11.926 -0.570 7.706 1.00 2.05 H new ATOM 0 HG3 ARG A 74 13.403 0.209 8.239 1.00 2.05 H new ATOM 0 HD2 ARG A 74 12.676 0.410 10.373 1.00 2.36 H new ATOM 0 HD3 ARG A 74 11.105 1.009 9.877 1.00 2.36 H new ATOM 0 HE ARG A 74 10.323 -0.986 10.607 1.00 3.25 H new ATOM 0 HH11 ARG A 74 13.428 -1.882 9.084 1.00 6.20 H new ATOM 0 HH12 ARG A 74 13.072 -3.600 9.287 1.00 6.20 H new ATOM 0 HH21 ARG A 74 9.933 -3.099 10.689 1.00 5.67 H new ATOM 0 HH22 ARG A 74 11.151 -4.266 10.166 1.00 5.67 H new ATOM 1161 N VAL A 75 10.479 2.565 4.776 1.00 1.50 N ATOM 1162 CA VAL A 75 9.547 3.543 4.182 1.00 2.03 C ATOM 1163 C VAL A 75 8.152 2.957 4.344 1.00 1.60 C ATOM 1164 O VAL A 75 7.966 1.786 4.042 1.00 1.57 O ATOM 1165 CB VAL A 75 9.834 3.783 2.676 1.00 2.77 C ATOM 1166 CG1 VAL A 75 8.784 4.712 2.035 1.00 3.33 C ATOM 1167 CG2 VAL A 75 11.223 4.407 2.460 1.00 3.32 C ATOM 0 H VAL A 75 10.189 1.601 4.610 1.00 1.50 H new ATOM 0 HA VAL A 75 9.655 4.507 4.680 1.00 2.03 H new ATOM 0 HB VAL A 75 9.791 2.803 2.201 1.00 2.77 H new ATOM 0 HG11 VAL A 75 9.020 4.855 0.981 1.00 3.33 H new ATOM 0 HG12 VAL A 75 7.795 4.262 2.128 1.00 3.33 H new ATOM 0 HG13 VAL A 75 8.793 5.676 2.543 1.00 3.33 H new ATOM 0 HG21 VAL A 75 11.391 4.561 1.394 1.00 3.32 H new ATOM 0 HG22 VAL A 75 11.276 5.364 2.978 1.00 3.32 H new ATOM 0 HG23 VAL A 75 11.988 3.738 2.854 1.00 3.32 H new ATOM 1177 N GLU A 76 7.172 3.716 4.830 1.00 1.48 N ATOM 1178 CA GLU A 76 5.883 3.135 5.192 1.00 1.05 C ATOM 1179 C GLU A 76 4.760 3.767 4.383 1.00 1.03 C ATOM 1180 O GLU A 76 4.622 4.994 4.358 1.00 1.40 O ATOM 1181 CB GLU A 76 5.616 3.285 6.685 1.00 1.24 C ATOM 1182 CG GLU A 76 6.842 3.152 7.593 1.00 1.78 C ATOM 1183 CD GLU A 76 6.347 3.108 9.021 1.00 2.58 C ATOM 1184 OE1 GLU A 76 5.908 4.188 9.489 1.00 3.06 O ATOM 1185 OE2 GLU A 76 6.356 1.981 9.565 1.00 3.94 O ATOM 0 H GLU A 76 7.244 4.722 4.981 1.00 1.48 H new ATOM 0 HA GLU A 76 5.918 2.071 4.959 1.00 1.05 H new ATOM 0 HB2 GLU A 76 5.162 4.261 6.858 1.00 1.24 H new ATOM 0 HB3 GLU A 76 4.883 2.535 6.982 1.00 1.24 H new ATOM 0 HG2 GLU A 76 7.401 2.247 7.353 1.00 1.78 H new ATOM 0 HG3 GLU A 76 7.520 3.993 7.448 1.00 1.78 H new ATOM 1192 N LEU A 77 3.944 2.919 3.758 1.00 0.77 N ATOM 1193 CA LEU A 77 2.827 3.295 2.908 1.00 0.74 C ATOM 1194 C LEU A 77 1.608 3.733 3.748 1.00 1.22 C ATOM 1195 O LEU A 77 0.522 3.179 3.662 1.00 2.28 O ATOM 1196 CB LEU A 77 2.529 2.145 1.928 1.00 0.58 C ATOM 1197 CG LEU A 77 3.602 1.880 0.845 1.00 0.77 C ATOM 1198 CD1 LEU A 77 4.574 0.750 1.226 1.00 0.79 C ATOM 1199 CD2 LEU A 77 2.911 1.494 -0.471 1.00 1.20 C ATOM 0 H LEU A 77 4.053 1.908 3.837 1.00 0.77 H new ATOM 0 HA LEU A 77 3.087 4.169 2.311 1.00 0.74 H new ATOM 0 HB2 LEU A 77 2.390 1.230 2.504 1.00 0.58 H new ATOM 0 HB3 LEU A 77 1.583 2.355 1.430 1.00 0.58 H new ATOM 0 HG LEU A 77 4.179 2.799 0.743 1.00 0.77 H new ATOM 0 HD11 LEU A 77 5.302 0.612 0.427 1.00 0.79 H new ATOM 0 HD12 LEU A 77 5.092 1.012 2.148 1.00 0.79 H new ATOM 0 HD13 LEU A 77 4.017 -0.175 1.373 1.00 0.79 H new ATOM 0 HD21 LEU A 77 3.664 1.307 -1.236 1.00 1.20 H new ATOM 0 HD22 LEU A 77 2.316 0.593 -0.319 1.00 1.20 H new ATOM 0 HD23 LEU A 77 2.261 2.308 -0.793 1.00 1.20 H new ATOM 1211 N LYS A 78 1.784 4.747 4.587 1.00 1.14 N ATOM 1212 CA LYS A 78 0.743 5.267 5.477 1.00 1.55 C ATOM 1213 C LYS A 78 -0.486 5.876 4.754 1.00 1.19 C ATOM 1214 O LYS A 78 -0.335 6.471 3.679 1.00 0.91 O ATOM 1215 CB LYS A 78 1.387 6.236 6.484 1.00 2.27 C ATOM 1216 CG LYS A 78 2.276 7.362 5.892 1.00 1.98 C ATOM 1217 CD LYS A 78 3.310 7.809 6.952 1.00 2.84 C ATOM 1218 CE LYS A 78 4.367 6.702 7.172 1.00 3.72 C ATOM 1219 NZ LYS A 78 4.814 6.540 8.586 1.00 5.00 N ATOM 0 H LYS A 78 2.671 5.243 4.672 1.00 1.14 H new ATOM 0 HA LYS A 78 0.315 4.418 6.010 1.00 1.55 H new ATOM 0 HB2 LYS A 78 0.591 6.701 7.067 1.00 2.27 H new ATOM 0 HB3 LYS A 78 1.992 5.653 7.179 1.00 2.27 H new ATOM 0 HG2 LYS A 78 2.786 7.005 4.997 1.00 1.98 H new ATOM 0 HG3 LYS A 78 1.658 8.208 5.591 1.00 1.98 H new ATOM 0 HD2 LYS A 78 3.798 8.728 6.628 1.00 2.84 H new ATOM 0 HD3 LYS A 78 2.805 8.030 7.892 1.00 2.84 H new ATOM 0 HE2 LYS A 78 3.958 5.754 6.823 1.00 3.72 H new ATOM 0 HE3 LYS A 78 5.237 6.921 6.553 1.00 3.72 H new ATOM 0 HZ1 LYS A 78 5.270 5.612 8.702 1.00 5.00 H new ATOM 0 HZ2 LYS A 78 5.492 7.291 8.824 1.00 5.00 H new ATOM 0 HZ3 LYS A 78 3.992 6.603 9.219 1.00 5.00 H new ATOM 1233 N PRO A 79 -1.689 5.814 5.371 1.00 1.48 N ATOM 1234 CA PRO A 79 -2.857 6.544 4.886 1.00 1.42 C ATOM 1235 C PRO A 79 -2.551 8.042 4.837 1.00 1.20 C ATOM 1236 O PRO A 79 -1.687 8.541 5.561 1.00 2.63 O ATOM 1237 CB PRO A 79 -4.005 6.199 5.841 1.00 1.99 C ATOM 1238 CG PRO A 79 -3.287 5.854 7.143 1.00 2.23 C ATOM 1239 CD PRO A 79 -2.001 5.192 6.657 1.00 2.08 C ATOM 0 HA PRO A 79 -3.133 6.264 3.869 1.00 1.42 H new ATOM 0 HB2 PRO A 79 -4.688 7.039 5.969 1.00 1.99 H new ATOM 0 HB3 PRO A 79 -4.596 5.360 5.473 1.00 1.99 H new ATOM 0 HG2 PRO A 79 -3.083 6.743 7.740 1.00 2.23 H new ATOM 0 HG3 PRO A 79 -3.878 5.181 7.764 1.00 2.23 H new ATOM 0 HD2 PRO A 79 -1.191 5.343 7.370 1.00 2.08 H new ATOM 0 HD3 PRO A 79 -2.133 4.116 6.548 1.00 2.08 H new ATOM 1247 N GLY A 80 -3.211 8.745 3.917 1.00 1.86 N ATOM 1248 CA GLY A 80 -2.904 10.147 3.610 1.00 1.59 C ATOM 1249 C GLY A 80 -1.671 10.340 2.722 1.00 1.25 C ATOM 1250 O GLY A 80 -1.472 11.448 2.234 1.00 1.75 O ATOM 0 H GLY A 80 -3.975 8.360 3.361 1.00 1.86 H new ATOM 0 HA2 GLY A 80 -3.766 10.597 3.118 1.00 1.59 H new ATOM 0 HA3 GLY A 80 -2.753 10.687 4.545 1.00 1.59 H new ATOM 1254 N GLY A 81 -0.873 9.288 2.460 1.00 0.85 N ATOM 1255 CA GLY A 81 0.280 9.305 1.544 1.00 0.82 C ATOM 1256 C GLY A 81 0.358 8.103 0.603 1.00 0.82 C ATOM 1257 O GLY A 81 -0.611 7.779 -0.083 1.00 1.58 O ATOM 0 H GLY A 81 -1.018 8.376 2.893 1.00 0.85 H new ATOM 0 HA2 GLY A 81 0.241 10.216 0.947 1.00 0.82 H new ATOM 0 HA3 GLY A 81 1.196 9.349 2.133 1.00 0.82 H new ATOM 1261 N TYR A 82 1.517 7.442 0.532 1.00 0.65 N ATOM 1262 CA TYR A 82 1.729 6.297 -0.371 1.00 0.68 C ATOM 1263 C TYR A 82 0.971 5.074 0.124 1.00 0.67 C ATOM 1264 O TYR A 82 0.838 4.870 1.317 1.00 0.68 O ATOM 1265 CB TYR A 82 3.213 5.943 -0.494 1.00 0.78 C ATOM 1266 CG TYR A 82 4.015 6.947 -1.290 1.00 0.77 C ATOM 1267 CD1 TYR A 82 4.140 6.774 -2.678 1.00 1.61 C ATOM 1268 CD2 TYR A 82 4.587 8.074 -0.668 1.00 2.01 C ATOM 1269 CE1 TYR A 82 4.818 7.731 -3.452 1.00 1.65 C ATOM 1270 CE2 TYR A 82 5.228 9.058 -1.446 1.00 1.99 C ATOM 1271 CZ TYR A 82 5.314 8.906 -2.847 1.00 0.78 C ATOM 1272 OH TYR A 82 5.786 9.920 -3.618 1.00 0.82 O ATOM 0 H TYR A 82 2.334 7.681 1.094 1.00 0.65 H new ATOM 0 HA TYR A 82 1.355 6.592 -1.351 1.00 0.68 H new ATOM 0 HB2 TYR A 82 3.641 5.860 0.505 1.00 0.78 H new ATOM 0 HB3 TYR A 82 3.306 4.964 -0.963 1.00 0.78 H new ATOM 0 HD1 TYR A 82 3.714 5.902 -3.152 1.00 1.61 H new ATOM 0 HD2 TYR A 82 4.534 8.184 0.405 1.00 2.01 H new ATOM 0 HE1 TYR A 82 4.960 7.567 -4.510 1.00 1.65 H new ATOM 0 HE2 TYR A 82 5.654 9.929 -0.970 1.00 1.99 H new ATOM 0 HH TYR A 82 5.237 9.999 -4.426 1.00 0.82 H new ATOM 1282 N HIS A 83 0.394 4.312 -0.791 1.00 0.67 N ATOM 1283 CA HIS A 83 -0.435 3.132 -0.504 1.00 0.64 C ATOM 1284 C HIS A 83 -0.619 2.279 -1.756 1.00 0.64 C ATOM 1285 O HIS A 83 -0.585 2.803 -2.869 1.00 0.70 O ATOM 1286 CB HIS A 83 -1.775 3.544 0.112 1.00 0.65 C ATOM 1287 CG HIS A 83 -2.588 4.423 -0.786 1.00 0.66 C ATOM 1288 ND1 HIS A 83 -2.318 5.741 -1.066 1.00 0.75 N ATOM 1289 CD2 HIS A 83 -3.631 4.033 -1.577 1.00 0.63 C ATOM 1290 CE1 HIS A 83 -3.154 6.145 -2.028 1.00 0.76 C ATOM 1291 NE2 HIS A 83 -3.971 5.139 -2.355 1.00 0.71 N ATOM 0 H HIS A 83 0.487 4.496 -1.790 1.00 0.67 H new ATOM 0 HA HIS A 83 0.083 2.517 0.232 1.00 0.64 H new ATOM 0 HB2 HIS A 83 -2.349 2.649 0.351 1.00 0.65 H new ATOM 0 HB3 HIS A 83 -1.591 4.065 1.052 1.00 0.65 H new ATOM 0 HD1 HIS A 83 -1.603 6.313 -0.617 1.00 0.75 H new ATOM 0 HD2 HIS A 83 -4.100 3.060 -1.596 1.00 0.63 H new ATOM 0 HE1 HIS A 83 -3.167 7.130 -2.471 1.00 0.76 H new ATOM 1299 N PHE A 84 -0.915 0.991 -1.595 1.00 0.61 N ATOM 1300 CA PHE A 84 -1.500 0.225 -2.691 1.00 0.59 C ATOM 1301 C PHE A 84 -3.003 0.472 -2.730 1.00 0.60 C ATOM 1302 O PHE A 84 -3.642 0.560 -1.683 1.00 0.65 O ATOM 1303 CB PHE A 84 -1.249 -1.263 -2.496 1.00 0.56 C ATOM 1304 CG PHE A 84 0.211 -1.612 -2.532 1.00 0.58 C ATOM 1305 CD1 PHE A 84 0.829 -1.897 -3.761 1.00 1.43 C ATOM 1306 CD2 PHE A 84 0.965 -1.584 -1.349 1.00 1.65 C ATOM 1307 CE1 PHE A 84 2.192 -2.220 -3.792 1.00 1.40 C ATOM 1308 CE2 PHE A 84 2.333 -1.889 -1.386 1.00 1.77 C ATOM 1309 CZ PHE A 84 2.936 -2.244 -2.597 1.00 0.82 C ATOM 0 H PHE A 84 -0.763 0.465 -0.734 1.00 0.61 H new ATOM 0 HA PHE A 84 -1.039 0.544 -3.626 1.00 0.59 H new ATOM 0 HB2 PHE A 84 -1.670 -1.577 -1.541 1.00 0.56 H new ATOM 0 HB3 PHE A 84 -1.771 -1.821 -3.273 1.00 0.56 H new ATOM 0 HD1 PHE A 84 0.257 -1.867 -4.677 1.00 1.43 H new ATOM 0 HD2 PHE A 84 0.493 -1.328 -0.412 1.00 1.65 H new ATOM 0 HE1 PHE A 84 2.672 -2.450 -4.732 1.00 1.40 H new ATOM 0 HE2 PHE A 84 2.920 -1.850 -0.481 1.00 1.77 H new ATOM 0 HZ PHE A 84 3.975 -2.537 -2.615 1.00 0.82 H new ATOM 1319 N MET A 85 -3.582 0.497 -3.923 1.00 0.60 N ATOM 1320 CA MET A 85 -5.025 0.387 -4.158 1.00 0.62 C ATOM 1321 C MET A 85 -5.351 -1.070 -4.489 1.00 0.56 C ATOM 1322 O MET A 85 -4.654 -1.665 -5.310 1.00 0.56 O ATOM 1323 CB MET A 85 -5.474 1.312 -5.288 1.00 0.72 C ATOM 1324 CG MET A 85 -6.828 1.953 -4.944 1.00 0.77 C ATOM 1325 SD MET A 85 -6.747 3.207 -3.620 1.00 0.82 S ATOM 1326 CE MET A 85 -8.505 3.286 -3.156 1.00 0.80 C ATOM 0 H MET A 85 -3.047 0.598 -4.786 1.00 0.60 H new ATOM 0 HA MET A 85 -5.563 0.694 -3.261 1.00 0.62 H new ATOM 0 HB2 MET A 85 -4.727 2.089 -5.450 1.00 0.72 H new ATOM 0 HB3 MET A 85 -5.556 0.749 -6.218 1.00 0.72 H new ATOM 0 HG2 MET A 85 -7.237 2.415 -5.842 1.00 0.77 H new ATOM 0 HG3 MET A 85 -7.523 1.169 -4.644 1.00 0.77 H new ATOM 0 HE1 MET A 85 -8.637 4.011 -2.352 1.00 0.80 H new ATOM 0 HE2 MET A 85 -9.096 3.590 -4.020 1.00 0.80 H new ATOM 0 HE3 MET A 85 -8.836 2.304 -2.817 1.00 0.80 H new ATOM 1336 N LEU A 86 -6.384 -1.631 -3.863 1.00 0.56 N ATOM 1337 CA LEU A 86 -6.880 -2.983 -4.119 1.00 0.54 C ATOM 1338 C LEU A 86 -8.235 -2.901 -4.828 1.00 0.65 C ATOM 1339 O LEU A 86 -9.084 -2.079 -4.474 1.00 0.86 O ATOM 1340 CB LEU A 86 -7.040 -3.767 -2.804 1.00 0.50 C ATOM 1341 CG LEU A 86 -5.761 -4.347 -2.164 1.00 0.44 C ATOM 1342 CD1 LEU A 86 -4.709 -3.298 -1.780 1.00 0.46 C ATOM 1343 CD2 LEU A 86 -6.179 -5.099 -0.895 1.00 0.51 C ATOM 0 H LEU A 86 -6.915 -1.143 -3.142 1.00 0.56 H new ATOM 0 HA LEU A 86 -6.158 -3.504 -4.748 1.00 0.54 H new ATOM 0 HB2 LEU A 86 -7.513 -3.109 -2.075 1.00 0.50 H new ATOM 0 HB3 LEU A 86 -7.730 -4.591 -2.985 1.00 0.50 H new ATOM 0 HG LEU A 86 -5.293 -4.988 -2.911 1.00 0.44 H new ATOM 0 HD11 LEU A 86 -3.845 -3.794 -1.338 1.00 0.46 H new ATOM 0 HD12 LEU A 86 -4.398 -2.752 -2.671 1.00 0.46 H new ATOM 0 HD13 LEU A 86 -5.136 -2.602 -1.058 1.00 0.46 H new ATOM 0 HD21 LEU A 86 -5.296 -5.523 -0.416 1.00 0.51 H new ATOM 0 HD22 LEU A 86 -6.669 -4.409 -0.208 1.00 0.51 H new ATOM 0 HD23 LEU A 86 -6.870 -5.900 -1.158 1.00 0.51 H new ATOM 1355 N LEU A 87 -8.450 -3.781 -5.801 1.00 0.56 N ATOM 1356 CA LEU A 87 -9.638 -3.840 -6.653 1.00 0.66 C ATOM 1357 C LEU A 87 -10.021 -5.298 -6.922 1.00 0.67 C ATOM 1358 O LEU A 87 -9.158 -6.167 -7.073 1.00 0.65 O ATOM 1359 CB LEU A 87 -9.325 -3.092 -7.965 1.00 0.87 C ATOM 1360 CG LEU A 87 -9.554 -1.571 -7.879 1.00 1.03 C ATOM 1361 CD1 LEU A 87 -8.747 -0.839 -8.957 1.00 1.69 C ATOM 1362 CD2 LEU A 87 -11.050 -1.264 -8.028 1.00 1.93 C ATOM 0 H LEU A 87 -7.771 -4.507 -6.029 1.00 0.56 H new ATOM 0 HA LEU A 87 -10.487 -3.366 -6.160 1.00 0.66 H new ATOM 0 HB2 LEU A 87 -8.287 -3.279 -8.241 1.00 0.87 H new ATOM 0 HB3 LEU A 87 -9.946 -3.500 -8.763 1.00 0.87 H new ATOM 0 HG LEU A 87 -9.213 -1.219 -6.905 1.00 1.03 H new ATOM 0 HD11 LEU A 87 -8.924 0.234 -8.878 1.00 1.69 H new ATOM 0 HD12 LEU A 87 -7.685 -1.043 -8.818 1.00 1.69 H new ATOM 0 HD13 LEU A 87 -9.057 -1.186 -9.942 1.00 1.69 H new ATOM 0 HD21 LEU A 87 -11.208 -0.187 -7.967 1.00 1.93 H new ATOM 0 HD22 LEU A 87 -11.402 -1.628 -8.993 1.00 1.93 H new ATOM 0 HD23 LEU A 87 -11.604 -1.758 -7.230 1.00 1.93 H new ATOM 1374 N GLY A 88 -11.329 -5.583 -6.973 1.00 0.76 N ATOM 1375 CA GLY A 88 -11.845 -6.927 -7.269 1.00 0.82 C ATOM 1376 C GLY A 88 -11.558 -7.937 -6.154 1.00 0.81 C ATOM 1377 O GLY A 88 -11.224 -9.084 -6.441 1.00 0.94 O ATOM 0 H GLY A 88 -12.059 -4.889 -6.810 1.00 0.76 H new ATOM 0 HA2 GLY A 88 -12.921 -6.869 -7.431 1.00 0.82 H new ATOM 0 HA3 GLY A 88 -11.401 -7.284 -8.198 1.00 0.82 H new ATOM 1381 N LEU A 89 -11.620 -7.494 -4.891 1.00 0.79 N ATOM 1382 CA LEU A 89 -11.344 -8.316 -3.710 1.00 0.82 C ATOM 1383 C LEU A 89 -12.134 -9.622 -3.626 1.00 0.85 C ATOM 1384 O LEU A 89 -13.297 -9.739 -4.005 1.00 1.06 O ATOM 1385 CB LEU A 89 -11.385 -7.506 -2.398 1.00 0.95 C ATOM 1386 CG LEU A 89 -12.501 -6.461 -2.192 1.00 0.99 C ATOM 1387 CD1 LEU A 89 -13.902 -7.084 -2.280 1.00 1.42 C ATOM 1388 CD2 LEU A 89 -12.278 -5.770 -0.837 1.00 1.23 C ATOM 0 H LEU A 89 -11.869 -6.532 -4.659 1.00 0.79 H new ATOM 0 HA LEU A 89 -10.314 -8.642 -3.850 1.00 0.82 H new ATOM 0 HB2 LEU A 89 -11.447 -8.218 -1.575 1.00 0.95 H new ATOM 0 HB3 LEU A 89 -10.430 -6.989 -2.302 1.00 0.95 H new ATOM 0 HG LEU A 89 -12.450 -5.725 -2.994 1.00 0.99 H new ATOM 0 HD11 LEU A 89 -14.655 -6.310 -2.129 1.00 1.42 H new ATOM 0 HD12 LEU A 89 -14.038 -7.536 -3.263 1.00 1.42 H new ATOM 0 HD13 LEU A 89 -14.009 -7.849 -1.511 1.00 1.42 H new ATOM 0 HD21 LEU A 89 -13.059 -5.027 -0.675 1.00 1.23 H new ATOM 0 HD22 LEU A 89 -12.312 -6.513 -0.040 1.00 1.23 H new ATOM 0 HD23 LEU A 89 -11.305 -5.280 -0.834 1.00 1.23 H new ATOM 1400 N LYS A 90 -11.457 -10.623 -3.071 1.00 0.88 N ATOM 1401 CA LYS A 90 -11.960 -12.006 -2.993 1.00 0.91 C ATOM 1402 C LYS A 90 -12.701 -12.306 -1.671 1.00 1.04 C ATOM 1403 O LYS A 90 -13.301 -13.368 -1.505 1.00 1.10 O ATOM 1404 CB LYS A 90 -10.803 -12.983 -3.229 1.00 0.79 C ATOM 1405 CG LYS A 90 -9.977 -12.707 -4.502 1.00 0.83 C ATOM 1406 CD LYS A 90 -10.778 -12.746 -5.809 1.00 1.19 C ATOM 1407 CE LYS A 90 -9.799 -12.643 -6.986 1.00 1.09 C ATOM 1408 NZ LYS A 90 -10.425 -12.998 -8.279 1.00 1.82 N ATOM 0 H LYS A 90 -10.533 -10.504 -2.656 1.00 0.88 H new ATOM 0 HA LYS A 90 -12.706 -12.135 -3.778 1.00 0.91 H new ATOM 0 HB2 LYS A 90 -10.137 -12.952 -2.366 1.00 0.79 H new ATOM 0 HB3 LYS A 90 -11.205 -13.995 -3.285 1.00 0.79 H new ATOM 0 HG2 LYS A 90 -9.508 -11.727 -4.409 1.00 0.83 H new ATOM 0 HG3 LYS A 90 -9.173 -13.441 -4.563 1.00 0.83 H new ATOM 0 HD2 LYS A 90 -11.352 -13.671 -5.874 1.00 1.19 H new ATOM 0 HD3 LYS A 90 -11.493 -11.924 -5.839 1.00 1.19 H new ATOM 0 HE2 LYS A 90 -9.409 -11.627 -7.042 1.00 1.09 H new ATOM 0 HE3 LYS A 90 -8.949 -13.301 -6.805 1.00 1.09 H new ATOM 0 HZ1 LYS A 90 -9.688 -13.094 -9.007 1.00 1.82 H new ATOM 0 HZ2 LYS A 90 -10.935 -13.899 -8.182 1.00 1.82 H new ATOM 0 HZ3 LYS A 90 -11.092 -12.251 -8.558 1.00 1.82 H new ATOM 1422 N ARG A 91 -12.653 -11.357 -0.728 1.00 1.14 N ATOM 1423 CA ARG A 91 -13.435 -11.290 0.511 1.00 1.28 C ATOM 1424 C ARG A 91 -13.787 -9.814 0.756 1.00 1.33 C ATOM 1425 O ARG A 91 -12.913 -8.981 0.517 1.00 1.29 O ATOM 1426 CB ARG A 91 -12.603 -11.748 1.727 1.00 1.36 C ATOM 1427 CG ARG A 91 -12.051 -13.181 1.674 1.00 1.73 C ATOM 1428 CD ARG A 91 -11.098 -13.462 2.848 1.00 2.27 C ATOM 1429 NE ARG A 91 -11.804 -13.703 4.126 1.00 2.84 N ATOM 1430 CZ ARG A 91 -12.045 -12.838 5.107 1.00 4.22 C ATOM 1431 NH1 ARG A 91 -11.747 -11.558 5.027 1.00 5.37 N ATOM 1432 NH2 ARG A 91 -12.609 -13.257 6.219 1.00 5.08 N ATOM 0 H ARG A 91 -12.022 -10.560 -0.818 1.00 1.14 H new ATOM 0 HA ARG A 91 -14.310 -11.931 0.404 1.00 1.28 H new ATOM 0 HB2 ARG A 91 -11.764 -11.062 1.845 1.00 1.36 H new ATOM 0 HB3 ARG A 91 -13.221 -11.652 2.620 1.00 1.36 H new ATOM 0 HG2 ARG A 91 -12.877 -13.891 1.697 1.00 1.73 H new ATOM 0 HG3 ARG A 91 -11.525 -13.335 0.732 1.00 1.73 H new ATOM 0 HD2 ARG A 91 -10.484 -14.331 2.610 1.00 2.27 H new ATOM 0 HD3 ARG A 91 -10.421 -12.617 2.968 1.00 2.27 H new ATOM 0 HE ARG A 91 -12.149 -14.652 4.273 1.00 2.84 H new ATOM 0 HH11 ARG A 91 -11.310 -11.188 4.183 1.00 5.37 H new ATOM 0 HH12 ARG A 91 -11.953 -10.937 5.809 1.00 5.37 H new ATOM 0 HH21 ARG A 91 -12.859 -14.240 6.325 1.00 5.08 H new ATOM 0 HH22 ARG A 91 -12.797 -12.599 6.975 1.00 5.08 H new ATOM 1446 N PRO A 92 -14.968 -9.470 1.311 1.00 1.57 N ATOM 1447 CA PRO A 92 -15.170 -8.184 1.975 1.00 1.67 C ATOM 1448 C PRO A 92 -14.298 -8.136 3.237 1.00 1.55 C ATOM 1449 O PRO A 92 -14.010 -9.177 3.830 1.00 1.73 O ATOM 1450 CB PRO A 92 -16.666 -8.117 2.290 1.00 2.02 C ATOM 1451 CG PRO A 92 -17.048 -9.586 2.475 1.00 2.09 C ATOM 1452 CD PRO A 92 -16.130 -10.328 1.501 1.00 1.86 C ATOM 0 HA PRO A 92 -14.882 -7.328 1.365 1.00 1.67 H new ATOM 0 HB2 PRO A 92 -16.863 -7.533 3.189 1.00 2.02 H new ATOM 0 HB3 PRO A 92 -17.228 -7.653 1.479 1.00 2.02 H new ATOM 0 HG2 PRO A 92 -16.890 -9.914 3.502 1.00 2.09 H new ATOM 0 HG3 PRO A 92 -18.099 -9.758 2.244 1.00 2.09 H new ATOM 0 HD2 PRO A 92 -15.837 -11.298 1.903 1.00 1.86 H new ATOM 0 HD3 PRO A 92 -16.636 -10.515 0.554 1.00 1.86 H new ATOM 1460 N LEU A 93 -13.874 -6.937 3.645 1.00 1.55 N ATOM 1461 CA LEU A 93 -12.808 -6.687 4.613 1.00 1.55 C ATOM 1462 C LEU A 93 -13.427 -5.969 5.804 1.00 1.52 C ATOM 1463 O LEU A 93 -13.907 -4.846 5.662 1.00 1.92 O ATOM 1464 CB LEU A 93 -11.719 -5.831 3.921 1.00 1.76 C ATOM 1465 CG LEU A 93 -10.456 -6.623 3.532 1.00 1.70 C ATOM 1466 CD1 LEU A 93 -10.755 -7.772 2.562 1.00 2.62 C ATOM 1467 CD2 LEU A 93 -9.426 -5.684 2.887 1.00 2.41 C ATOM 0 H LEU A 93 -14.286 -6.074 3.291 1.00 1.55 H new ATOM 0 HA LEU A 93 -12.342 -7.607 4.965 1.00 1.55 H new ATOM 0 HB2 LEU A 93 -12.142 -5.378 3.025 1.00 1.76 H new ATOM 0 HB3 LEU A 93 -11.434 -5.016 4.586 1.00 1.76 H new ATOM 0 HG LEU A 93 -10.061 -7.055 4.451 1.00 1.70 H new ATOM 0 HD11 LEU A 93 -9.830 -8.296 2.322 1.00 2.62 H new ATOM 0 HD12 LEU A 93 -11.455 -8.467 3.026 1.00 2.62 H new ATOM 0 HD13 LEU A 93 -11.193 -7.372 1.648 1.00 2.62 H new ATOM 0 HD21 LEU A 93 -8.536 -6.252 2.615 1.00 2.41 H new ATOM 0 HD22 LEU A 93 -9.855 -5.232 1.993 1.00 2.41 H new ATOM 0 HD23 LEU A 93 -9.154 -4.901 3.595 1.00 2.41 H new ATOM 1479 N LYS A 94 -13.478 -6.631 6.961 1.00 1.24 N ATOM 1480 CA LYS A 94 -14.038 -6.030 8.191 1.00 1.26 C ATOM 1481 C LYS A 94 -12.988 -5.214 8.966 1.00 1.30 C ATOM 1482 O LYS A 94 -11.792 -5.297 8.701 1.00 1.82 O ATOM 1483 CB LYS A 94 -14.709 -7.041 9.155 1.00 1.50 C ATOM 1484 CG LYS A 94 -15.330 -8.328 8.617 1.00 1.65 C ATOM 1485 CD LYS A 94 -16.220 -8.204 7.376 1.00 2.71 C ATOM 1486 CE LYS A 94 -16.378 -9.578 6.704 1.00 3.59 C ATOM 1487 NZ LYS A 94 -15.075 -10.142 6.247 1.00 4.09 N ATOM 0 H LYS A 94 -13.140 -7.586 7.081 1.00 1.24 H new ATOM 0 HA LYS A 94 -14.823 -5.369 7.823 1.00 1.26 H new ATOM 0 HB2 LYS A 94 -13.960 -7.329 9.892 1.00 1.50 H new ATOM 0 HB3 LYS A 94 -15.493 -6.504 9.690 1.00 1.50 H new ATOM 0 HG2 LYS A 94 -14.523 -9.023 8.387 1.00 1.65 H new ATOM 0 HG3 LYS A 94 -15.921 -8.778 9.414 1.00 1.65 H new ATOM 0 HD2 LYS A 94 -17.198 -7.813 7.657 1.00 2.71 H new ATOM 0 HD3 LYS A 94 -15.782 -7.494 6.674 1.00 2.71 H new ATOM 0 HE2 LYS A 94 -16.844 -10.270 7.405 1.00 3.59 H new ATOM 0 HE3 LYS A 94 -17.050 -9.487 5.851 1.00 3.59 H new ATOM 0 HZ1 LYS A 94 -15.246 -10.870 5.524 1.00 4.09 H new ATOM 0 HZ2 LYS A 94 -14.491 -9.383 5.842 1.00 4.09 H new ATOM 0 HZ3 LYS A 94 -14.578 -10.567 7.056 1.00 4.09 H new ATOM 1501 N ALA A 95 -13.451 -4.489 9.982 1.00 1.12 N ATOM 1502 CA ALA A 95 -12.629 -4.127 11.125 1.00 1.09 C ATOM 1503 C ALA A 95 -12.163 -5.420 11.817 1.00 1.04 C ATOM 1504 O ALA A 95 -12.935 -6.374 11.947 1.00 1.17 O ATOM 1505 CB ALA A 95 -13.468 -3.238 12.051 1.00 1.18 C ATOM 0 H ALA A 95 -14.407 -4.138 10.032 1.00 1.12 H new ATOM 0 HA ALA A 95 -11.740 -3.568 10.832 1.00 1.09 H new ATOM 0 HB1 ALA A 95 -12.873 -2.952 12.918 1.00 1.18 H new ATOM 0 HB2 ALA A 95 -13.778 -2.342 11.513 1.00 1.18 H new ATOM 0 HB3 ALA A 95 -14.350 -3.787 12.381 1.00 1.18 H new ATOM 1511 N GLY A 96 -10.899 -5.456 12.207 1.00 1.10 N ATOM 1512 CA GLY A 96 -10.295 -6.533 13.005 1.00 1.19 C ATOM 1513 C GLY A 96 -10.005 -7.849 12.269 1.00 1.17 C ATOM 1514 O GLY A 96 -9.928 -8.881 12.931 1.00 1.41 O ATOM 0 H GLY A 96 -10.236 -4.717 11.974 1.00 1.10 H new ATOM 0 HA2 GLY A 96 -9.360 -6.163 13.425 1.00 1.19 H new ATOM 0 HA3 GLY A 96 -10.957 -6.749 13.843 1.00 1.19 H new ATOM 1518 N GLU A 97 -9.855 -7.845 10.936 1.00 1.05 N ATOM 1519 CA GLU A 97 -9.364 -9.020 10.184 1.00 0.96 C ATOM 1520 C GLU A 97 -7.836 -8.966 9.973 1.00 0.82 C ATOM 1521 O GLU A 97 -7.144 -8.110 10.526 1.00 0.80 O ATOM 1522 CB GLU A 97 -10.136 -9.209 8.857 1.00 0.93 C ATOM 1523 CG GLU A 97 -11.594 -9.621 9.095 1.00 1.10 C ATOM 1524 CD GLU A 97 -12.330 -10.075 7.829 1.00 1.13 C ATOM 1525 OE1 GLU A 97 -12.338 -9.384 6.787 1.00 2.33 O ATOM 1526 OE2 GLU A 97 -13.033 -11.109 7.836 1.00 1.60 O ATOM 0 H GLU A 97 -10.067 -7.038 10.349 1.00 1.05 H new ATOM 0 HA GLU A 97 -9.562 -9.903 10.791 1.00 0.96 H new ATOM 0 HB2 GLU A 97 -10.110 -8.280 8.287 1.00 0.93 H new ATOM 0 HB3 GLU A 97 -9.639 -9.968 8.253 1.00 0.93 H new ATOM 0 HG2 GLU A 97 -11.617 -10.429 9.826 1.00 1.10 H new ATOM 0 HG3 GLU A 97 -12.131 -8.780 9.533 1.00 1.10 H new ATOM 1533 N GLU A 98 -7.306 -9.863 9.140 1.00 0.84 N ATOM 1534 CA GLU A 98 -5.906 -10.112 8.862 1.00 0.76 C ATOM 1535 C GLU A 98 -5.839 -10.722 7.458 1.00 0.73 C ATOM 1536 O GLU A 98 -6.725 -11.470 7.042 1.00 0.96 O ATOM 1537 CB GLU A 98 -5.245 -10.982 9.954 1.00 0.93 C ATOM 1538 CG GLU A 98 -5.973 -12.307 10.242 1.00 1.80 C ATOM 1539 CD GLU A 98 -5.281 -13.143 11.322 1.00 2.35 C ATOM 1540 OE1 GLU A 98 -5.040 -12.596 12.422 1.00 2.87 O ATOM 1541 OE2 GLU A 98 -5.033 -14.338 11.045 1.00 3.14 O ATOM 0 H GLU A 98 -7.906 -10.485 8.599 1.00 0.84 H new ATOM 0 HA GLU A 98 -5.327 -9.188 8.882 1.00 0.76 H new ATOM 0 HB2 GLU A 98 -4.221 -11.203 9.654 1.00 0.93 H new ATOM 0 HB3 GLU A 98 -5.190 -10.404 10.877 1.00 0.93 H new ATOM 0 HG2 GLU A 98 -6.995 -12.094 10.554 1.00 1.80 H new ATOM 0 HG3 GLU A 98 -6.035 -12.889 9.323 1.00 1.80 H new ATOM 1548 N VAL A 99 -4.854 -10.268 6.696 1.00 0.67 N ATOM 1549 CA VAL A 99 -4.762 -10.408 5.234 1.00 0.65 C ATOM 1550 C VAL A 99 -3.292 -10.492 4.806 1.00 0.67 C ATOM 1551 O VAL A 99 -2.464 -9.700 5.251 1.00 0.79 O ATOM 1552 CB VAL A 99 -5.485 -9.207 4.557 1.00 0.72 C ATOM 1553 CG1 VAL A 99 -5.043 -8.959 3.104 1.00 0.97 C ATOM 1554 CG2 VAL A 99 -7.015 -9.401 4.566 1.00 0.82 C ATOM 0 H VAL A 99 -4.057 -9.768 7.090 1.00 0.67 H new ATOM 0 HA VAL A 99 -5.252 -11.329 4.917 1.00 0.65 H new ATOM 0 HB VAL A 99 -5.201 -8.338 5.151 1.00 0.72 H new ATOM 0 HG11 VAL A 99 -5.589 -8.107 2.698 1.00 0.97 H new ATOM 0 HG12 VAL A 99 -3.974 -8.749 3.080 1.00 0.97 H new ATOM 0 HG13 VAL A 99 -5.253 -9.844 2.504 1.00 0.97 H new ATOM 0 HG21 VAL A 99 -7.493 -8.547 4.087 1.00 0.82 H new ATOM 0 HG22 VAL A 99 -7.270 -10.311 4.023 1.00 0.82 H new ATOM 0 HG23 VAL A 99 -7.365 -9.483 5.595 1.00 0.82 H new ATOM 1564 N GLU A 100 -2.975 -11.418 3.892 1.00 0.72 N ATOM 1565 CA GLU A 100 -1.637 -11.507 3.295 1.00 0.80 C ATOM 1566 C GLU A 100 -1.443 -10.422 2.225 1.00 0.62 C ATOM 1567 O GLU A 100 -2.366 -10.101 1.465 1.00 0.61 O ATOM 1568 CB GLU A 100 -1.374 -12.846 2.581 1.00 1.23 C ATOM 1569 CG GLU A 100 -1.716 -14.164 3.281 1.00 1.53 C ATOM 1570 CD GLU A 100 -1.282 -15.327 2.380 1.00 1.79 C ATOM 1571 OE1 GLU A 100 -1.620 -15.338 1.174 1.00 2.84 O ATOM 1572 OE2 GLU A 100 -0.453 -16.157 2.814 1.00 2.23 O ATOM 0 H GLU A 100 -3.631 -12.119 3.549 1.00 0.72 H new ATOM 0 HA GLU A 100 -0.952 -11.393 4.135 1.00 0.80 H new ATOM 0 HB2 GLU A 100 -1.924 -12.826 1.640 1.00 1.23 H new ATOM 0 HB3 GLU A 100 -0.314 -12.877 2.330 1.00 1.23 H new ATOM 0 HG2 GLU A 100 -1.209 -14.223 4.244 1.00 1.53 H new ATOM 0 HG3 GLU A 100 -2.786 -14.219 3.480 1.00 1.53 H new ATOM 1579 N LEU A 101 -0.203 -9.947 2.090 1.00 0.69 N ATOM 1580 CA LEU A 101 0.306 -9.258 0.900 1.00 0.62 C ATOM 1581 C LEU A 101 1.602 -9.946 0.448 1.00 0.68 C ATOM 1582 O LEU A 101 2.362 -10.448 1.270 1.00 0.95 O ATOM 1583 CB LEU A 101 0.565 -7.761 1.198 1.00 0.73 C ATOM 1584 CG LEU A 101 -0.427 -6.781 0.528 1.00 0.89 C ATOM 1585 CD1 LEU A 101 -1.803 -6.729 1.208 1.00 1.47 C ATOM 1586 CD2 LEU A 101 0.157 -5.365 0.548 1.00 1.61 C ATOM 0 H LEU A 101 0.496 -10.033 2.827 1.00 0.69 H new ATOM 0 HA LEU A 101 -0.438 -9.313 0.105 1.00 0.62 H new ATOM 0 HB2 LEU A 101 0.530 -7.609 2.277 1.00 0.73 H new ATOM 0 HB3 LEU A 101 1.575 -7.511 0.874 1.00 0.73 H new ATOM 0 HG LEU A 101 -0.571 -7.152 -0.487 1.00 0.89 H new ATOM 0 HD11 LEU A 101 -2.442 -6.020 0.682 1.00 1.47 H new ATOM 0 HD12 LEU A 101 -2.259 -7.719 1.182 1.00 1.47 H new ATOM 0 HD13 LEU A 101 -1.685 -6.411 2.244 1.00 1.47 H new ATOM 0 HD21 LEU A 101 -0.543 -4.676 0.076 1.00 1.61 H new ATOM 0 HD22 LEU A 101 0.329 -5.057 1.579 1.00 1.61 H new ATOM 0 HD23 LEU A 101 1.101 -5.353 0.003 1.00 1.61 H new ATOM 1598 N ASP A 102 1.889 -9.923 -0.852 1.00 0.60 N ATOM 1599 CA ASP A 102 3.235 -10.098 -1.386 1.00 0.56 C ATOM 1600 C ASP A 102 3.745 -8.748 -1.901 1.00 0.54 C ATOM 1601 O ASP A 102 2.952 -7.949 -2.395 1.00 0.66 O ATOM 1602 CB ASP A 102 3.234 -11.055 -2.579 1.00 0.79 C ATOM 1603 CG ASP A 102 2.810 -12.503 -2.315 1.00 1.05 C ATOM 1604 OD1 ASP A 102 3.006 -13.016 -1.192 1.00 1.99 O ATOM 1605 OD2 ASP A 102 2.318 -13.123 -3.289 1.00 2.24 O ATOM 0 H ASP A 102 1.182 -9.780 -1.573 1.00 0.60 H new ATOM 0 HA ASP A 102 3.863 -10.497 -0.589 1.00 0.56 H new ATOM 0 HB2 ASP A 102 2.573 -10.643 -3.342 1.00 0.79 H new ATOM 0 HB3 ASP A 102 4.239 -11.069 -3.002 1.00 0.79 H new ATOM 1610 N LEU A 103 5.058 -8.519 -1.869 1.00 0.57 N ATOM 1611 CA LEU A 103 5.730 -7.368 -2.463 1.00 0.59 C ATOM 1612 C LEU A 103 6.544 -7.829 -3.679 1.00 0.61 C ATOM 1613 O LEU A 103 7.263 -8.824 -3.606 1.00 0.73 O ATOM 1614 CB LEU A 103 6.636 -6.702 -1.413 1.00 0.68 C ATOM 1615 CG LEU A 103 5.867 -6.008 -0.266 1.00 0.72 C ATOM 1616 CD1 LEU A 103 5.636 -6.960 0.915 1.00 1.00 C ATOM 1617 CD2 LEU A 103 6.650 -4.794 0.249 1.00 0.96 C ATOM 0 H LEU A 103 5.707 -9.158 -1.409 1.00 0.57 H new ATOM 0 HA LEU A 103 4.994 -6.635 -2.795 1.00 0.59 H new ATOM 0 HB2 LEU A 103 7.297 -7.457 -0.988 1.00 0.68 H new ATOM 0 HB3 LEU A 103 7.269 -5.966 -1.909 1.00 0.68 H new ATOM 0 HG LEU A 103 4.905 -5.696 -0.673 1.00 0.72 H new ATOM 0 HD11 LEU A 103 5.093 -6.438 1.702 1.00 1.00 H new ATOM 0 HD12 LEU A 103 5.054 -7.819 0.581 1.00 1.00 H new ATOM 0 HD13 LEU A 103 6.597 -7.300 1.301 1.00 1.00 H new ATOM 0 HD21 LEU A 103 6.093 -4.318 1.056 1.00 0.96 H new ATOM 0 HD22 LEU A 103 7.622 -5.119 0.621 1.00 0.96 H new ATOM 0 HD23 LEU A 103 6.792 -4.081 -0.563 1.00 0.96 H new ATOM 1629 N LEU A 104 6.424 -7.098 -4.794 1.00 0.58 N ATOM 1630 CA LEU A 104 7.098 -7.379 -6.064 1.00 0.59 C ATOM 1631 C LEU A 104 8.276 -6.413 -6.245 1.00 0.64 C ATOM 1632 O LEU A 104 8.091 -5.208 -6.443 1.00 0.65 O ATOM 1633 CB LEU A 104 6.072 -7.261 -7.212 1.00 0.54 C ATOM 1634 CG LEU A 104 4.890 -8.257 -7.149 1.00 0.56 C ATOM 1635 CD1 LEU A 104 4.008 -8.116 -8.397 1.00 0.57 C ATOM 1636 CD2 LEU A 104 5.350 -9.718 -7.028 1.00 0.65 C ATOM 0 H LEU A 104 5.835 -6.267 -4.836 1.00 0.58 H new ATOM 0 HA LEU A 104 7.500 -8.392 -6.070 1.00 0.59 H new ATOM 0 HB2 LEU A 104 5.671 -6.247 -7.216 1.00 0.54 H new ATOM 0 HB3 LEU A 104 6.593 -7.401 -8.159 1.00 0.54 H new ATOM 0 HG LEU A 104 4.324 -8.008 -6.251 1.00 0.56 H new ATOM 0 HD11 LEU A 104 3.180 -8.823 -8.339 1.00 0.57 H new ATOM 0 HD12 LEU A 104 3.615 -7.101 -8.452 1.00 0.57 H new ATOM 0 HD13 LEU A 104 4.601 -8.324 -9.287 1.00 0.57 H new ATOM 0 HD21 LEU A 104 4.479 -10.372 -6.988 1.00 0.65 H new ATOM 0 HD22 LEU A 104 5.961 -9.980 -7.892 1.00 0.65 H new ATOM 0 HD23 LEU A 104 5.937 -9.840 -6.118 1.00 0.65 H new ATOM 1648 N PHE A 105 9.498 -6.943 -6.199 1.00 0.71 N ATOM 1649 CA PHE A 105 10.758 -6.201 -6.250 1.00 0.78 C ATOM 1650 C PHE A 105 11.452 -6.360 -7.610 1.00 0.79 C ATOM 1651 O PHE A 105 11.948 -7.437 -7.945 1.00 1.07 O ATOM 1652 CB PHE A 105 11.656 -6.717 -5.119 1.00 0.95 C ATOM 1653 CG PHE A 105 11.189 -6.275 -3.750 1.00 0.92 C ATOM 1654 CD1 PHE A 105 11.252 -4.916 -3.395 1.00 1.77 C ATOM 1655 CD2 PHE A 105 10.654 -7.212 -2.845 1.00 2.14 C ATOM 1656 CE1 PHE A 105 10.793 -4.491 -2.137 1.00 1.81 C ATOM 1657 CE2 PHE A 105 10.209 -6.787 -1.582 1.00 2.08 C ATOM 1658 CZ PHE A 105 10.281 -5.432 -1.229 1.00 0.89 C ATOM 0 H PHE A 105 9.643 -7.950 -6.121 1.00 0.71 H new ATOM 0 HA PHE A 105 10.560 -5.137 -6.122 1.00 0.78 H new ATOM 0 HB2 PHE A 105 11.686 -7.806 -5.153 1.00 0.95 H new ATOM 0 HB3 PHE A 105 12.675 -6.365 -5.281 1.00 0.95 H new ATOM 0 HD1 PHE A 105 11.655 -4.196 -4.092 1.00 1.77 H new ATOM 0 HD2 PHE A 105 10.586 -8.254 -3.121 1.00 2.14 H new ATOM 0 HE1 PHE A 105 10.834 -3.445 -1.870 1.00 1.81 H new ATOM 0 HE2 PHE A 105 9.810 -7.506 -0.881 1.00 2.08 H new ATOM 0 HZ PHE A 105 9.942 -5.111 -0.255 1.00 0.89 H new ATOM 1668 N ALA A 106 11.509 -5.270 -8.385 1.00 0.81 N ATOM 1669 CA ALA A 106 12.094 -5.203 -9.734 1.00 0.93 C ATOM 1670 C ALA A 106 11.584 -6.325 -10.669 1.00 2.27 C ATOM 1671 O ALA A 106 12.335 -6.858 -11.485 1.00 3.39 O ATOM 1672 CB ALA A 106 13.625 -5.136 -9.608 1.00 1.63 C ATOM 0 H ALA A 106 11.134 -4.372 -8.079 1.00 0.81 H new ATOM 0 HA ALA A 106 11.757 -4.291 -10.228 1.00 0.93 H new ATOM 0 HB1 ALA A 106 14.070 -5.086 -10.602 1.00 1.63 H new ATOM 0 HB2 ALA A 106 13.905 -4.249 -9.040 1.00 1.63 H new ATOM 0 HB3 ALA A 106 13.987 -6.026 -9.093 1.00 1.63 H new ATOM 1678 N GLY A 107 10.327 -6.745 -10.483 1.00 3.03 N ATOM 1679 CA GLY A 107 9.712 -7.900 -11.141 1.00 4.46 C ATOM 1680 C GLY A 107 10.195 -9.227 -10.551 1.00 3.81 C ATOM 1681 O GLY A 107 9.435 -9.917 -9.877 1.00 5.12 O ATOM 0 H GLY A 107 9.688 -6.271 -9.846 1.00 3.03 H new ATOM 0 HA2 GLY A 107 8.628 -7.835 -11.046 1.00 4.46 H new ATOM 0 HA3 GLY A 107 9.941 -7.873 -12.206 1.00 4.46 H new ATOM 1685 N GLY A 108 11.456 -9.581 -10.818 1.00 2.16 N ATOM 1686 CA GLY A 108 12.004 -10.937 -10.655 1.00 1.96 C ATOM 1687 C GLY A 108 12.325 -11.395 -9.227 1.00 1.83 C ATOM 1688 O GLY A 108 12.979 -12.424 -9.070 1.00 2.24 O ATOM 0 H GLY A 108 12.146 -8.914 -11.164 1.00 2.16 H new ATOM 0 HA2 GLY A 108 11.293 -11.643 -11.085 1.00 1.96 H new ATOM 0 HA3 GLY A 108 12.918 -11.006 -11.245 1.00 1.96 H new ATOM 1692 N LYS A 109 11.930 -10.651 -8.187 1.00 1.50 N ATOM 1693 CA LYS A 109 11.978 -11.079 -6.779 1.00 1.50 C ATOM 1694 C LYS A 109 10.633 -10.814 -6.092 1.00 1.26 C ATOM 1695 O LYS A 109 10.106 -9.713 -6.208 1.00 1.08 O ATOM 1696 CB LYS A 109 13.092 -10.314 -6.043 1.00 1.55 C ATOM 1697 CG LYS A 109 14.462 -10.877 -6.417 1.00 2.10 C ATOM 1698 CD LYS A 109 15.602 -9.888 -6.139 1.00 2.19 C ATOM 1699 CE LYS A 109 16.845 -10.269 -6.955 1.00 3.17 C ATOM 1700 NZ LYS A 109 16.640 -10.025 -8.407 1.00 4.32 N ATOM 0 H LYS A 109 11.558 -9.708 -8.302 1.00 1.50 H new ATOM 0 HA LYS A 109 12.185 -12.149 -6.746 1.00 1.50 H new ATOM 0 HB2 LYS A 109 13.045 -9.255 -6.298 1.00 1.55 H new ATOM 0 HB3 LYS A 109 12.943 -10.389 -4.966 1.00 1.55 H new ATOM 0 HG2 LYS A 109 14.638 -11.796 -5.857 1.00 2.10 H new ATOM 0 HG3 LYS A 109 14.466 -11.142 -7.474 1.00 2.10 H new ATOM 0 HD2 LYS A 109 15.286 -8.877 -6.395 1.00 2.19 H new ATOM 0 HD3 LYS A 109 15.842 -9.888 -5.076 1.00 2.19 H new ATOM 0 HE2 LYS A 109 17.702 -9.692 -6.606 1.00 3.17 H new ATOM 0 HE3 LYS A 109 17.080 -11.321 -6.791 1.00 3.17 H new ATOM 0 HZ1 LYS A 109 17.563 -9.928 -8.876 1.00 4.32 H new ATOM 0 HZ2 LYS A 109 16.122 -10.825 -8.824 1.00 4.32 H new ATOM 0 HZ3 LYS A 109 16.092 -9.151 -8.538 1.00 4.32 H new ATOM 1714 N VAL A 110 10.132 -11.793 -5.339 1.00 1.35 N ATOM 1715 CA VAL A 110 8.876 -11.714 -4.576 1.00 1.20 C ATOM 1716 C VAL A 110 9.110 -12.046 -3.098 1.00 1.24 C ATOM 1717 O VAL A 110 9.957 -12.884 -2.786 1.00 1.39 O ATOM 1718 CB VAL A 110 7.786 -12.620 -5.201 1.00 1.22 C ATOM 1719 CG1 VAL A 110 8.166 -14.113 -5.219 1.00 2.24 C ATOM 1720 CG2 VAL A 110 6.416 -12.456 -4.522 1.00 1.82 C ATOM 0 H VAL A 110 10.600 -12.693 -5.237 1.00 1.35 H new ATOM 0 HA VAL A 110 8.513 -10.687 -4.627 1.00 1.20 H new ATOM 0 HB VAL A 110 7.712 -12.276 -6.233 1.00 1.22 H new ATOM 0 HG11 VAL A 110 7.358 -14.689 -5.670 1.00 2.24 H new ATOM 0 HG12 VAL A 110 9.077 -14.249 -5.801 1.00 2.24 H new ATOM 0 HG13 VAL A 110 8.332 -14.458 -4.199 1.00 2.24 H new ATOM 0 HG21 VAL A 110 5.691 -13.115 -5.001 1.00 1.82 H new ATOM 0 HG22 VAL A 110 6.500 -12.715 -3.467 1.00 1.82 H new ATOM 0 HG23 VAL A 110 6.084 -11.422 -4.617 1.00 1.82 H new ATOM 1730 N LEU A 111 8.371 -11.380 -2.207 1.00 1.14 N ATOM 1731 CA LEU A 111 8.424 -11.568 -0.755 1.00 1.19 C ATOM 1732 C LEU A 111 7.007 -11.511 -0.178 1.00 1.14 C ATOM 1733 O LEU A 111 6.307 -10.527 -0.385 1.00 1.03 O ATOM 1734 CB LEU A 111 9.302 -10.450 -0.159 1.00 1.24 C ATOM 1735 CG LEU A 111 9.379 -10.425 1.384 1.00 1.29 C ATOM 1736 CD1 LEU A 111 9.987 -11.716 1.951 1.00 2.31 C ATOM 1737 CD2 LEU A 111 10.219 -9.219 1.827 1.00 1.70 C ATOM 0 H LEU A 111 7.695 -10.669 -2.487 1.00 1.14 H new ATOM 0 HA LEU A 111 8.852 -12.539 -0.507 1.00 1.19 H new ATOM 0 HB2 LEU A 111 10.312 -10.553 -0.555 1.00 1.24 H new ATOM 0 HB3 LEU A 111 8.921 -9.489 -0.503 1.00 1.24 H new ATOM 0 HG LEU A 111 8.363 -10.344 1.771 1.00 1.29 H new ATOM 0 HD11 LEU A 111 10.022 -11.655 3.039 1.00 2.31 H new ATOM 0 HD12 LEU A 111 9.374 -12.567 1.655 1.00 2.31 H new ATOM 0 HD13 LEU A 111 10.997 -11.844 1.562 1.00 2.31 H new ATOM 0 HD21 LEU A 111 10.277 -9.196 2.915 1.00 1.70 H new ATOM 0 HD22 LEU A 111 11.223 -9.303 1.412 1.00 1.70 H new ATOM 0 HD23 LEU A 111 9.754 -8.300 1.469 1.00 1.70 H new ATOM 1749 N LYS A 112 6.599 -12.529 0.583 1.00 1.44 N ATOM 1750 CA LYS A 112 5.317 -12.515 1.296 1.00 1.41 C ATOM 1751 C LYS A 112 5.417 -11.791 2.652 1.00 1.34 C ATOM 1752 O LYS A 112 6.392 -11.970 3.381 1.00 1.45 O ATOM 1753 CB LYS A 112 4.797 -13.955 1.440 1.00 1.55 C ATOM 1754 CG LYS A 112 3.463 -13.991 2.206 1.00 1.41 C ATOM 1755 CD LYS A 112 2.653 -15.265 1.961 1.00 1.74 C ATOM 1756 CE LYS A 112 1.947 -15.182 0.601 1.00 1.84 C ATOM 1757 NZ LYS A 112 0.914 -16.232 0.460 1.00 2.21 N ATOM 0 H LYS A 112 7.142 -13.381 0.723 1.00 1.44 H new ATOM 0 HA LYS A 112 4.596 -11.944 0.711 1.00 1.41 H new ATOM 0 HB2 LYS A 112 4.664 -14.397 0.452 1.00 1.55 H new ATOM 0 HB3 LYS A 112 5.537 -14.561 1.964 1.00 1.55 H new ATOM 0 HG2 LYS A 112 3.663 -13.897 3.273 1.00 1.41 H new ATOM 0 HG3 LYS A 112 2.864 -13.128 1.917 1.00 1.41 H new ATOM 0 HD2 LYS A 112 3.310 -16.134 1.987 1.00 1.74 H new ATOM 0 HD3 LYS A 112 1.918 -15.397 2.755 1.00 1.74 H new ATOM 0 HE2 LYS A 112 1.487 -14.200 0.488 1.00 1.84 H new ATOM 0 HE3 LYS A 112 2.681 -15.283 -0.198 1.00 1.84 H new ATOM 0 HZ1 LYS A 112 1.298 -17.025 -0.093 1.00 2.21 H new ATOM 0 HZ2 LYS A 112 0.632 -16.571 1.402 1.00 2.21 H new ATOM 0 HZ3 LYS A 112 0.084 -15.839 -0.029 1.00 2.21 H new ATOM 1771 N VAL A 113 4.377 -11.036 3.003 1.00 1.29 N ATOM 1772 CA VAL A 113 4.102 -10.462 4.329 1.00 1.31 C ATOM 1773 C VAL A 113 2.648 -10.751 4.747 1.00 1.27 C ATOM 1774 O VAL A 113 1.877 -11.350 3.997 1.00 1.50 O ATOM 1775 CB VAL A 113 4.374 -8.937 4.364 1.00 1.39 C ATOM 1776 CG1 VAL A 113 5.847 -8.617 4.063 1.00 2.60 C ATOM 1777 CG2 VAL A 113 3.443 -8.138 3.439 1.00 2.16 C ATOM 0 H VAL A 113 3.654 -10.790 2.327 1.00 1.29 H new ATOM 0 HA VAL A 113 4.781 -10.936 5.038 1.00 1.31 H new ATOM 0 HB VAL A 113 4.154 -8.619 5.383 1.00 1.39 H new ATOM 0 HG11 VAL A 113 5.999 -7.538 4.096 1.00 2.60 H new ATOM 0 HG12 VAL A 113 6.483 -9.096 4.807 1.00 2.60 H new ATOM 0 HG13 VAL A 113 6.105 -8.989 3.071 1.00 2.60 H new ATOM 0 HG21 VAL A 113 3.684 -7.077 3.509 1.00 2.16 H new ATOM 0 HG22 VAL A 113 3.576 -8.474 2.411 1.00 2.16 H new ATOM 0 HG23 VAL A 113 2.408 -8.296 3.741 1.00 2.16 H new ATOM 1787 N VAL A 114 2.262 -10.284 5.932 1.00 1.15 N ATOM 1788 CA VAL A 114 0.882 -10.285 6.443 1.00 1.08 C ATOM 1789 C VAL A 114 0.658 -8.932 7.131 1.00 1.14 C ATOM 1790 O VAL A 114 1.625 -8.289 7.537 1.00 1.55 O ATOM 1791 CB VAL A 114 0.628 -11.473 7.416 1.00 1.17 C ATOM 1792 CG1 VAL A 114 -0.828 -11.541 7.918 1.00 1.70 C ATOM 1793 CG2 VAL A 114 0.949 -12.829 6.759 1.00 1.71 C ATOM 0 H VAL A 114 2.924 -9.877 6.593 1.00 1.15 H new ATOM 0 HA VAL A 114 0.174 -10.419 5.625 1.00 1.08 H new ATOM 0 HB VAL A 114 1.293 -11.286 8.259 1.00 1.17 H new ATOM 0 HG11 VAL A 114 -0.941 -12.390 8.592 1.00 1.70 H new ATOM 0 HG12 VAL A 114 -1.073 -10.621 8.449 1.00 1.70 H new ATOM 0 HG13 VAL A 114 -1.501 -11.660 7.069 1.00 1.70 H new ATOM 0 HG21 VAL A 114 0.759 -13.632 7.471 1.00 1.71 H new ATOM 0 HG22 VAL A 114 0.319 -12.966 5.880 1.00 1.71 H new ATOM 0 HG23 VAL A 114 1.997 -12.850 6.460 1.00 1.71 H new ATOM 1803 N LEU A 115 -0.598 -8.493 7.223 1.00 0.88 N ATOM 1804 CA LEU A 115 -1.024 -7.325 7.997 1.00 0.88 C ATOM 1805 C LEU A 115 -2.514 -7.434 8.402 1.00 0.82 C ATOM 1806 O LEU A 115 -3.293 -8.085 7.690 1.00 0.87 O ATOM 1807 CB LEU A 115 -0.719 -5.995 7.279 1.00 1.12 C ATOM 1808 CG LEU A 115 -1.025 -5.868 5.776 1.00 1.02 C ATOM 1809 CD1 LEU A 115 -1.241 -4.383 5.451 1.00 1.97 C ATOM 1810 CD2 LEU A 115 0.130 -6.400 4.912 1.00 1.89 C ATOM 0 H LEU A 115 -1.372 -8.955 6.746 1.00 0.88 H new ATOM 0 HA LEU A 115 -0.432 -7.318 8.912 1.00 0.88 H new ATOM 0 HB2 LEU A 115 -1.272 -5.209 7.794 1.00 1.12 H new ATOM 0 HB3 LEU A 115 0.341 -5.782 7.418 1.00 1.12 H new ATOM 0 HG LEU A 115 -1.913 -6.459 5.553 1.00 1.02 H new ATOM 0 HD11 LEU A 115 -1.459 -4.271 4.389 1.00 1.97 H new ATOM 0 HD12 LEU A 115 -2.077 -4.000 6.036 1.00 1.97 H new ATOM 0 HD13 LEU A 115 -0.340 -3.822 5.697 1.00 1.97 H new ATOM 0 HD21 LEU A 115 -0.125 -6.293 3.858 1.00 1.89 H new ATOM 0 HD22 LEU A 115 1.036 -5.833 5.126 1.00 1.89 H new ATOM 0 HD23 LEU A 115 0.299 -7.453 5.139 1.00 1.89 H new ATOM 1822 N PRO A 116 -2.932 -6.794 9.512 1.00 0.78 N ATOM 1823 CA PRO A 116 -4.334 -6.675 9.900 1.00 0.77 C ATOM 1824 C PRO A 116 -5.166 -5.862 8.892 1.00 0.83 C ATOM 1825 O PRO A 116 -4.642 -5.170 8.021 1.00 1.03 O ATOM 1826 CB PRO A 116 -4.329 -6.040 11.296 1.00 0.80 C ATOM 1827 CG PRO A 116 -3.000 -5.291 11.350 1.00 0.78 C ATOM 1828 CD PRO A 116 -2.082 -6.192 10.531 1.00 0.78 C ATOM 0 HA PRO A 116 -4.815 -7.653 9.912 1.00 0.77 H new ATOM 0 HB2 PRO A 116 -5.174 -5.365 11.432 1.00 0.80 H new ATOM 0 HB3 PRO A 116 -4.395 -6.795 12.079 1.00 0.80 H new ATOM 0 HG2 PRO A 116 -3.079 -4.293 10.920 1.00 0.78 H new ATOM 0 HG3 PRO A 116 -2.643 -5.170 12.373 1.00 0.78 H new ATOM 0 HD2 PRO A 116 -1.273 -5.619 10.078 1.00 0.78 H new ATOM 0 HD3 PRO A 116 -1.621 -6.955 11.158 1.00 0.78 H new ATOM 1836 N VAL A 117 -6.486 -5.910 9.039 1.00 0.76 N ATOM 1837 CA VAL A 117 -7.445 -5.048 8.335 1.00 0.83 C ATOM 1838 C VAL A 117 -8.104 -4.114 9.352 1.00 0.88 C ATOM 1839 O VAL A 117 -8.634 -4.587 10.356 1.00 0.91 O ATOM 1840 CB VAL A 117 -8.537 -5.883 7.638 1.00 0.83 C ATOM 1841 CG1 VAL A 117 -9.459 -5.030 6.753 1.00 0.98 C ATOM 1842 CG2 VAL A 117 -7.950 -6.999 6.757 1.00 0.79 C ATOM 0 H VAL A 117 -6.939 -6.570 9.671 1.00 0.76 H new ATOM 0 HA VAL A 117 -6.910 -4.479 7.575 1.00 0.83 H new ATOM 0 HB VAL A 117 -9.112 -6.319 8.455 1.00 0.83 H new ATOM 0 HG11 VAL A 117 -10.209 -5.669 6.287 1.00 0.98 H new ATOM 0 HG12 VAL A 117 -9.954 -4.276 7.364 1.00 0.98 H new ATOM 0 HG13 VAL A 117 -8.869 -4.539 5.979 1.00 0.98 H new ATOM 0 HG21 VAL A 117 -8.761 -7.557 6.289 1.00 0.79 H new ATOM 0 HG22 VAL A 117 -7.319 -6.559 5.985 1.00 0.79 H new ATOM 0 HG23 VAL A 117 -7.354 -7.673 7.372 1.00 0.79 H new ATOM 1852 N GLU A 118 -8.102 -2.807 9.070 1.00 0.98 N ATOM 1853 CA GLU A 118 -8.725 -1.749 9.866 1.00 1.02 C ATOM 1854 C GLU A 118 -9.098 -0.512 9.032 1.00 1.43 C ATOM 1855 O GLU A 118 -8.866 -0.456 7.824 1.00 1.66 O ATOM 1856 CB GLU A 118 -7.821 -1.360 11.061 1.00 0.98 C ATOM 1857 CG GLU A 118 -8.271 -2.026 12.364 1.00 1.76 C ATOM 1858 CD GLU A 118 -9.768 -1.847 12.641 1.00 3.09 C ATOM 1859 OE1 GLU A 118 -10.325 -0.799 12.233 1.00 3.56 O ATOM 1860 OE2 GLU A 118 -10.358 -2.817 13.165 1.00 4.40 O ATOM 0 H GLU A 118 -7.641 -2.442 8.237 1.00 0.98 H new ATOM 0 HA GLU A 118 -9.661 -2.155 10.250 1.00 1.02 H new ATOM 0 HB2 GLU A 118 -6.792 -1.646 10.845 1.00 0.98 H new ATOM 0 HB3 GLU A 118 -7.831 -0.277 11.185 1.00 0.98 H new ATOM 0 HG2 GLU A 118 -8.040 -3.090 12.321 1.00 1.76 H new ATOM 0 HG3 GLU A 118 -7.701 -1.610 13.194 1.00 1.76 H new ATOM 1867 N ALA A 119 -9.701 0.499 9.663 1.00 1.77 N ATOM 1868 CA ALA A 119 -10.354 1.615 8.974 1.00 2.20 C ATOM 1869 C ALA A 119 -9.387 2.623 8.307 1.00 2.92 C ATOM 1870 O ALA A 119 -8.186 2.666 8.580 1.00 4.05 O ATOM 1871 CB ALA A 119 -11.260 2.315 9.997 1.00 2.87 C ATOM 0 H ALA A 119 -9.750 0.566 10.680 1.00 1.77 H new ATOM 0 HA ALA A 119 -10.923 1.206 8.139 1.00 2.20 H new ATOM 0 HB1 ALA A 119 -11.766 3.155 9.521 1.00 2.87 H new ATOM 0 HB2 ALA A 119 -12.002 1.609 10.369 1.00 2.87 H new ATOM 0 HB3 ALA A 119 -10.656 2.679 10.828 1.00 2.87 H new ATOM 1877 N ARG A 120 -9.935 3.422 7.379 1.00 2.79 N ATOM 1878 CA ARG A 120 -9.251 4.562 6.766 1.00 3.47 C ATOM 1879 C ARG A 120 -9.176 5.711 7.754 1.00 3.40 C ATOM 1880 O ARG A 120 -10.214 6.005 8.384 1.00 3.66 O ATOM 1881 CB ARG A 120 -9.988 4.966 5.473 1.00 4.52 C ATOM 1882 CG ARG A 120 -9.275 6.072 4.672 1.00 5.86 C ATOM 1883 CD ARG A 120 -9.892 7.488 4.757 1.00 6.64 C ATOM 1884 NE ARG A 120 -9.888 8.009 6.132 1.00 6.41 N ATOM 1885 CZ ARG A 120 -10.818 8.686 6.762 1.00 6.87 C ATOM 1886 NH1 ARG A 120 -11.651 9.454 6.122 1.00 7.78 N ATOM 1887 NH2 ARG A 120 -10.929 8.583 8.051 1.00 6.96 N ATOM 1888 OXT ARG A 120 -8.199 6.473 7.658 1.00 4.41 O ATOM 0 H ARG A 120 -10.884 3.288 7.030 1.00 2.79 H new ATOM 0 HA ARG A 120 -8.230 4.288 6.502 1.00 3.47 H new ATOM 0 HB2 ARG A 120 -10.100 4.086 4.840 1.00 4.52 H new ATOM 0 HB3 ARG A 120 -10.992 5.305 5.729 1.00 4.52 H new ATOM 0 HG2 ARG A 120 -8.241 6.129 5.013 1.00 5.86 H new ATOM 0 HG3 ARG A 120 -9.249 5.773 3.624 1.00 5.86 H new ATOM 0 HD2 ARG A 120 -9.334 8.166 4.111 1.00 6.64 H new ATOM 0 HD3 ARG A 120 -10.915 7.461 4.383 1.00 6.64 H new ATOM 0 HE ARG A 120 -9.044 7.817 6.671 1.00 6.41 H new ATOM 0 HH11 ARG A 120 -11.589 9.540 5.107 1.00 7.78 H new ATOM 0 HH12 ARG A 120 -12.366 9.970 6.635 1.00 7.78 H new ATOM 0 HH21 ARG A 120 -10.294 7.977 8.571 1.00 6.96 H new ATOM 0 HH22 ARG A 120 -11.651 9.108 8.544 1.00 6.96 H new