USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=17 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 : +bothHN:sc= -0.549 K(o=0.45,f=-2.2!) USER MOD Set 1.2: A 48 THR OG1 : rot 162:sc= 0.136 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.866 K(o=0.45,f=-3.6!) USER MOD Single : A 11 SER OG : rot 65:sc= 1.2 USER MOD Single : A 15 ASN : amide:sc= -0.0777 K(o=-0.078,f=-0.89) USER MOD Single : A 19 TYR OH : rot 110:sc= 0 USER MOD Single : A 21 THR OG1 : rot -84:sc= 1.3 USER MOD Single : A 24 ASN : amide:sc= 0.577 K(o=0.58,f=-3.5) USER MOD Single : A 37 THR OG1 : rot 88:sc= 0.49 USER MOD Single : A 50 MET CE :methyl -127:sc= 0 (180deg=-0.00435) USER MOD Single : A 56 LYS NZ :NH3+ -147:sc= 0.456 (180deg=-1.75!) USER MOD Single : A 57 LYS NZ :NH3+ 148:sc= 2.02 (180deg=1.26) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -167:sc= -0.0768 (180deg=-0.308) USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= 0.427 (180deg=-0.48!) USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0.764 (180deg=0.761) USER MOD Single : A 82 TYR OH : rot 33:sc= 1.26 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -145:sc= -0.329 (180deg=-1.69!) USER MOD Single : A 94 LYS NZ :NH3+ -154:sc= 2.32 (180deg=1.12) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -152:sc= -0.221 (180deg=-0.957!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 3.515 -1.703 12.720 1.00 2.32 N ATOM 56 CA GLU A 5 3.355 -2.292 11.391 1.00 1.25 C ATOM 57 C GLU A 5 2.082 -1.708 10.745 1.00 1.32 C ATOM 58 O GLU A 5 1.381 -0.909 11.371 1.00 2.36 O ATOM 59 CB GLU A 5 3.304 -3.834 11.450 1.00 2.23 C ATOM 60 CG GLU A 5 4.265 -4.520 12.442 1.00 3.21 C ATOM 61 CD GLU A 5 3.598 -4.917 13.768 1.00 4.18 C ATOM 62 OE1 GLU A 5 3.258 -4.050 14.609 1.00 4.76 O ATOM 63 OE2 GLU A 5 3.460 -6.134 14.022 1.00 5.17 O ATOM 0 HA GLU A 5 4.222 -2.040 10.780 1.00 1.25 H new ATOM 0 HB2 GLU A 5 2.286 -4.132 11.701 1.00 2.23 H new ATOM 0 HB3 GLU A 5 3.512 -4.220 10.452 1.00 2.23 H new ATOM 0 HG2 GLU A 5 4.682 -5.411 11.974 1.00 3.21 H new ATOM 0 HG3 GLU A 5 5.099 -3.849 12.650 1.00 3.21 H new ATOM 70 N GLY A 6 1.770 -2.097 9.502 1.00 0.96 N ATOM 71 CA GLY A 6 0.713 -1.469 8.694 1.00 0.93 C ATOM 72 C GLY A 6 -0.639 -2.165 8.775 1.00 0.70 C ATOM 73 O GLY A 6 -0.800 -3.154 9.482 1.00 0.76 O ATOM 0 H GLY A 6 2.247 -2.862 9.024 1.00 0.96 H new ATOM 0 HA2 GLY A 6 0.595 -0.434 9.014 1.00 0.93 H new ATOM 0 HA3 GLY A 6 1.034 -1.446 7.653 1.00 0.93 H new ATOM 77 N TRP A 7 -1.610 -1.657 8.006 1.00 0.64 N ATOM 78 CA TRP A 7 -2.973 -2.187 7.959 1.00 0.58 C ATOM 79 C TRP A 7 -3.627 -2.116 6.568 1.00 0.52 C ATOM 80 O TRP A 7 -3.324 -1.232 5.762 1.00 0.56 O ATOM 81 CB TRP A 7 -3.852 -1.471 8.998 1.00 0.69 C ATOM 82 CG TRP A 7 -4.320 -0.094 8.623 1.00 0.75 C ATOM 83 CD1 TRP A 7 -5.560 0.216 8.181 1.00 0.85 C ATOM 84 CD2 TRP A 7 -3.581 1.168 8.629 1.00 1.11 C ATOM 85 NE1 TRP A 7 -5.650 1.571 7.935 1.00 1.24 N ATOM 86 CE2 TRP A 7 -4.455 2.209 8.186 1.00 1.44 C ATOM 87 CE3 TRP A 7 -2.262 1.542 8.969 1.00 1.34 C ATOM 88 CZ2 TRP A 7 -4.041 3.545 8.081 1.00 1.96 C ATOM 89 CZ3 TRP A 7 -1.835 2.879 8.861 1.00 1.83 C ATOM 90 CH2 TRP A 7 -2.718 3.881 8.422 1.00 2.13 C ATOM 0 H TRP A 7 -1.466 -0.856 7.392 1.00 0.64 H new ATOM 0 HA TRP A 7 -2.894 -3.248 8.197 1.00 0.58 H new ATOM 0 HB2 TRP A 7 -4.727 -2.090 9.194 1.00 0.69 H new ATOM 0 HB3 TRP A 7 -3.294 -1.403 9.932 1.00 0.69 H new ATOM 0 HD1 TRP A 7 -6.362 -0.493 8.041 1.00 0.85 H new ATOM 0 HE1 TRP A 7 -6.495 2.041 7.609 1.00 1.24 H new ATOM 0 HE3 TRP A 7 -1.570 0.790 9.318 1.00 1.34 H new ATOM 0 HZ2 TRP A 7 -4.729 4.306 7.743 1.00 1.96 H new ATOM 0 HZ3 TRP A 7 -0.818 3.138 9.118 1.00 1.83 H new ATOM 0 HH2 TRP A 7 -2.382 4.905 8.347 1.00 2.13 H new ATOM 101 N VAL A 8 -4.589 -3.000 6.300 1.00 0.65 N ATOM 102 CA VAL A 8 -5.441 -2.929 5.097 1.00 0.71 C ATOM 103 C VAL A 8 -6.695 -2.120 5.436 1.00 0.77 C ATOM 104 O VAL A 8 -7.269 -2.314 6.505 1.00 0.80 O ATOM 105 CB VAL A 8 -5.773 -4.341 4.573 1.00 0.82 C ATOM 106 CG1 VAL A 8 -6.812 -4.327 3.436 1.00 0.96 C ATOM 107 CG2 VAL A 8 -4.482 -5.014 4.079 1.00 0.91 C ATOM 0 H VAL A 8 -4.805 -3.790 6.908 1.00 0.65 H new ATOM 0 HA VAL A 8 -4.911 -2.425 4.289 1.00 0.71 H new ATOM 0 HB VAL A 8 -6.210 -4.900 5.400 1.00 0.82 H new ATOM 0 HG11 VAL A 8 -7.006 -5.348 3.108 1.00 0.96 H new ATOM 0 HG12 VAL A 8 -7.739 -3.879 3.795 1.00 0.96 H new ATOM 0 HG13 VAL A 8 -6.428 -3.744 2.599 1.00 0.96 H new ATOM 0 HG21 VAL A 8 -4.711 -6.013 3.708 1.00 0.91 H new ATOM 0 HG22 VAL A 8 -4.046 -4.419 3.276 1.00 0.91 H new ATOM 0 HG23 VAL A 8 -3.772 -5.088 4.903 1.00 0.91 H new ATOM 117 N ARG A 9 -7.110 -1.204 4.550 1.00 0.82 N ATOM 118 CA ARG A 9 -8.054 -0.117 4.875 1.00 0.94 C ATOM 119 C ARG A 9 -9.516 -0.545 5.130 1.00 0.97 C ATOM 120 O ARG A 9 -10.325 0.293 5.537 1.00 2.37 O ATOM 121 CB ARG A 9 -7.968 0.918 3.738 1.00 1.16 C ATOM 122 CG ARG A 9 -8.590 2.278 4.080 1.00 1.46 C ATOM 123 CD ARG A 9 -9.925 2.512 3.367 1.00 1.73 C ATOM 124 NE ARG A 9 -10.607 3.685 3.919 1.00 1.92 N ATOM 125 CZ ARG A 9 -11.814 4.128 3.604 1.00 2.82 C ATOM 126 NH1 ARG A 9 -12.502 3.614 2.604 1.00 3.68 N ATOM 127 NH2 ARG A 9 -12.350 5.099 4.302 1.00 3.49 N ATOM 0 H ARG A 9 -6.799 -1.194 3.579 1.00 0.82 H new ATOM 0 HA ARG A 9 -7.750 0.297 5.836 1.00 0.94 H new ATOM 0 HB2 ARG A 9 -6.921 1.066 3.474 1.00 1.16 H new ATOM 0 HB3 ARG A 9 -8.465 0.515 2.856 1.00 1.16 H new ATOM 0 HG2 ARG A 9 -8.742 2.343 5.157 1.00 1.46 H new ATOM 0 HG3 ARG A 9 -7.893 3.071 3.808 1.00 1.46 H new ATOM 0 HD2 ARG A 9 -9.753 2.653 2.300 1.00 1.73 H new ATOM 0 HD3 ARG A 9 -10.559 1.632 3.474 1.00 1.73 H new ATOM 0 HE ARG A 9 -10.096 4.218 4.623 1.00 1.92 H new ATOM 0 HH11 ARG A 9 -12.106 2.855 2.050 1.00 3.68 H new ATOM 0 HH12 ARG A 9 -13.430 3.976 2.384 1.00 3.68 H new ATOM 0 HH21 ARG A 9 -11.837 5.509 5.083 1.00 3.49 H new ATOM 0 HH22 ARG A 9 -13.280 5.445 4.064 1.00 3.49 H new ATOM 141 N PHE A 10 -9.878 -1.800 4.828 1.00 1.34 N ATOM 142 CA PHE A 10 -11.261 -2.301 4.815 1.00 1.28 C ATOM 143 C PHE A 10 -12.117 -1.592 3.738 1.00 1.31 C ATOM 144 O PHE A 10 -11.704 -0.585 3.157 1.00 1.87 O ATOM 145 CB PHE A 10 -11.845 -2.237 6.254 1.00 1.36 C ATOM 146 CG PHE A 10 -13.271 -1.745 6.406 1.00 1.25 C ATOM 147 CD1 PHE A 10 -13.611 -0.389 6.222 1.00 2.09 C ATOM 148 CD2 PHE A 10 -14.275 -2.669 6.722 1.00 1.51 C ATOM 149 CE1 PHE A 10 -14.948 0.026 6.346 1.00 2.37 C ATOM 150 CE2 PHE A 10 -15.607 -2.256 6.876 1.00 1.58 C ATOM 151 CZ PHE A 10 -15.947 -0.909 6.679 1.00 1.74 C ATOM 0 H PHE A 10 -9.196 -2.517 4.578 1.00 1.34 H new ATOM 0 HA PHE A 10 -11.275 -3.349 4.517 1.00 1.28 H new ATOM 0 HB2 PHE A 10 -11.785 -3.236 6.687 1.00 1.36 H new ATOM 0 HB3 PHE A 10 -11.200 -1.592 6.851 1.00 1.36 H new ATOM 0 HD1 PHE A 10 -12.843 0.332 5.985 1.00 2.09 H new ATOM 0 HD2 PHE A 10 -14.021 -3.711 6.849 1.00 1.51 H new ATOM 0 HE1 PHE A 10 -15.209 1.062 6.186 1.00 2.37 H new ATOM 0 HE2 PHE A 10 -16.369 -2.973 7.145 1.00 1.58 H new ATOM 0 HZ PHE A 10 -16.974 -0.590 6.783 1.00 1.74 H new ATOM 161 N SER A 11 -13.332 -2.087 3.471 1.00 0.94 N ATOM 162 CA SER A 11 -14.394 -1.339 2.810 1.00 1.03 C ATOM 163 C SER A 11 -15.762 -2.040 2.929 1.00 1.16 C ATOM 164 O SER A 11 -15.815 -3.235 3.225 1.00 1.49 O ATOM 165 CB SER A 11 -14.018 -1.108 1.350 1.00 1.34 C ATOM 166 OG SER A 11 -13.358 0.140 1.251 1.00 2.25 O ATOM 0 H SER A 11 -13.604 -3.039 3.716 1.00 0.94 H new ATOM 0 HA SER A 11 -14.498 -0.377 3.312 1.00 1.03 H new ATOM 0 HB2 SER A 11 -13.370 -1.909 0.994 1.00 1.34 H new ATOM 0 HB3 SER A 11 -14.909 -1.116 0.723 1.00 1.34 H new ATOM 0 HG SER A 11 -12.510 0.101 1.741 1.00 2.25 H new ATOM 172 N PRO A 12 -16.873 -1.316 2.681 1.00 1.43 N ATOM 173 CA PRO A 12 -18.219 -1.882 2.577 1.00 1.84 C ATOM 174 C PRO A 12 -18.537 -2.414 1.164 1.00 1.64 C ATOM 175 O PRO A 12 -19.702 -2.665 0.862 1.00 2.25 O ATOM 176 CB PRO A 12 -19.135 -0.711 2.959 1.00 2.39 C ATOM 177 CG PRO A 12 -18.411 0.487 2.346 1.00 2.27 C ATOM 178 CD PRO A 12 -16.940 0.139 2.570 1.00 1.79 C ATOM 0 HA PRO A 12 -18.345 -2.752 3.221 1.00 1.84 H new ATOM 0 HB2 PRO A 12 -20.139 -0.831 2.551 1.00 2.39 H new ATOM 0 HB3 PRO A 12 -19.239 -0.613 4.040 1.00 2.39 H new ATOM 0 HG2 PRO A 12 -18.643 0.603 1.287 1.00 2.27 H new ATOM 0 HG3 PRO A 12 -18.686 1.421 2.836 1.00 2.27 H new ATOM 0 HD2 PRO A 12 -16.326 0.494 1.742 1.00 1.79 H new ATOM 0 HD3 PRO A 12 -16.561 0.615 3.474 1.00 1.79 H new ATOM 186 N GLY A 13 -17.536 -2.530 0.277 1.00 1.06 N ATOM 187 CA GLY A 13 -17.720 -2.823 -1.147 1.00 1.10 C ATOM 188 C GLY A 13 -16.564 -3.590 -1.818 1.00 0.96 C ATOM 189 O GLY A 13 -15.728 -4.162 -1.120 1.00 1.08 O ATOM 0 H GLY A 13 -16.556 -2.420 0.539 1.00 1.06 H new ATOM 0 HA2 GLY A 13 -18.636 -3.402 -1.266 1.00 1.10 H new ATOM 0 HA3 GLY A 13 -17.866 -1.883 -1.678 1.00 1.10 H new ATOM 193 N PRO A 14 -16.538 -3.628 -3.168 1.00 0.93 N ATOM 194 CA PRO A 14 -15.654 -4.490 -3.961 1.00 1.02 C ATOM 195 C PRO A 14 -14.222 -3.971 -4.130 1.00 0.83 C ATOM 196 O PRO A 14 -13.337 -4.758 -4.466 1.00 0.96 O ATOM 197 CB PRO A 14 -16.325 -4.584 -5.333 1.00 1.23 C ATOM 198 CG PRO A 14 -17.060 -3.255 -5.470 1.00 1.20 C ATOM 199 CD PRO A 14 -17.509 -2.975 -4.040 1.00 1.07 C ATOM 0 HA PRO A 14 -15.537 -5.444 -3.446 1.00 1.02 H new ATOM 0 HB2 PRO A 14 -15.592 -4.720 -6.128 1.00 1.23 H new ATOM 0 HB3 PRO A 14 -17.012 -5.428 -5.385 1.00 1.23 H new ATOM 0 HG2 PRO A 14 -16.409 -2.469 -5.852 1.00 1.20 H new ATOM 0 HG3 PRO A 14 -17.906 -3.328 -6.154 1.00 1.20 H new ATOM 0 HD2 PRO A 14 -17.545 -1.903 -3.847 1.00 1.07 H new ATOM 0 HD3 PRO A 14 -18.512 -3.364 -3.865 1.00 1.07 H new ATOM 207 N ASN A 15 -13.985 -2.668 -3.942 1.00 0.69 N ATOM 208 CA ASN A 15 -12.669 -2.067 -3.859 1.00 0.60 C ATOM 209 C ASN A 15 -12.215 -1.810 -2.408 1.00 0.58 C ATOM 210 O ASN A 15 -13.019 -1.806 -1.476 1.00 0.95 O ATOM 211 CB ASN A 15 -12.667 -0.776 -4.690 1.00 0.82 C ATOM 212 CG ASN A 15 -13.358 0.423 -4.039 1.00 1.63 C ATOM 213 OD1 ASN A 15 -12.902 0.996 -3.059 1.00 2.88 O ATOM 214 ND2 ASN A 15 -14.481 0.858 -4.572 1.00 2.03 N ATOM 0 H ASN A 15 -14.738 -1.987 -3.841 1.00 0.69 H new ATOM 0 HA ASN A 15 -11.942 -2.770 -4.265 1.00 0.60 H new ATOM 0 HB2 ASN A 15 -11.634 -0.505 -4.907 1.00 0.82 H new ATOM 0 HB3 ASN A 15 -13.151 -0.978 -5.646 1.00 0.82 H new ATOM 0 HD21 ASN A 15 -14.959 1.663 -4.168 1.00 2.03 H new ATOM 0 HD22 ASN A 15 -14.873 0.390 -5.389 1.00 2.03 H new ATOM 221 N ALA A 16 -10.911 -1.561 -2.259 1.00 0.44 N ATOM 222 CA ALA A 16 -10.210 -1.166 -1.043 1.00 0.44 C ATOM 223 C ALA A 16 -8.876 -0.451 -1.376 1.00 0.44 C ATOM 224 O ALA A 16 -8.529 -0.227 -2.536 1.00 0.44 O ATOM 225 CB ALA A 16 -10.031 -2.408 -0.150 1.00 0.50 C ATOM 0 H ALA A 16 -10.272 -1.638 -3.050 1.00 0.44 H new ATOM 0 HA ALA A 16 -10.798 -0.436 -0.487 1.00 0.44 H new ATOM 0 HB1 ALA A 16 -9.508 -2.127 0.764 1.00 0.50 H new ATOM 0 HB2 ALA A 16 -11.009 -2.818 0.103 1.00 0.50 H new ATOM 0 HB3 ALA A 16 -9.450 -3.160 -0.684 1.00 0.50 H new ATOM 231 N ALA A 17 -8.123 -0.101 -0.335 1.00 0.50 N ATOM 232 CA ALA A 17 -6.766 0.454 -0.360 1.00 0.49 C ATOM 233 C ALA A 17 -5.946 -0.209 0.766 1.00 0.52 C ATOM 234 O ALA A 17 -6.534 -0.824 1.661 1.00 0.69 O ATOM 235 CB ALA A 17 -6.865 1.976 -0.174 1.00 0.52 C ATOM 0 H ALA A 17 -8.468 -0.204 0.619 1.00 0.50 H new ATOM 0 HA ALA A 17 -6.266 0.255 -1.308 1.00 0.49 H new ATOM 0 HB1 ALA A 17 -5.865 2.410 -0.189 1.00 0.52 H new ATOM 0 HB2 ALA A 17 -7.459 2.403 -0.982 1.00 0.52 H new ATOM 0 HB3 ALA A 17 -7.341 2.196 0.782 1.00 0.52 H new ATOM 241 N ALA A 18 -4.617 -0.085 0.766 1.00 0.56 N ATOM 242 CA ALA A 18 -3.761 -0.723 1.776 1.00 0.56 C ATOM 243 C ALA A 18 -2.421 -0.006 2.013 1.00 0.50 C ATOM 244 O ALA A 18 -1.887 0.696 1.146 1.00 0.54 O ATOM 245 CB ALA A 18 -3.545 -2.194 1.393 1.00 0.61 C ATOM 0 H ALA A 18 -4.103 0.457 0.071 1.00 0.56 H new ATOM 0 HA ALA A 18 -4.284 -0.653 2.730 1.00 0.56 H new ATOM 0 HB1 ALA A 18 -2.911 -2.675 2.138 1.00 0.61 H new ATOM 0 HB2 ALA A 18 -4.507 -2.704 1.352 1.00 0.61 H new ATOM 0 HB3 ALA A 18 -3.064 -2.249 0.417 1.00 0.61 H new ATOM 251 N TYR A 19 -1.874 -0.242 3.210 1.00 0.64 N ATOM 252 CA TYR A 19 -0.679 0.401 3.763 1.00 0.77 C ATOM 253 C TYR A 19 0.176 -0.627 4.529 1.00 0.82 C ATOM 254 O TYR A 19 -0.365 -1.510 5.195 1.00 1.46 O ATOM 255 CB TYR A 19 -1.106 1.538 4.719 1.00 0.90 C ATOM 256 CG TYR A 19 -2.323 2.323 4.265 1.00 0.93 C ATOM 257 CD1 TYR A 19 -2.223 3.217 3.185 1.00 2.25 C ATOM 258 CD2 TYR A 19 -3.579 2.090 4.861 1.00 1.74 C ATOM 259 CE1 TYR A 19 -3.378 3.851 2.693 1.00 2.41 C ATOM 260 CE2 TYR A 19 -4.732 2.737 4.380 1.00 1.99 C ATOM 261 CZ TYR A 19 -4.636 3.607 3.276 1.00 1.61 C ATOM 262 OH TYR A 19 -5.733 4.217 2.754 1.00 2.06 O ATOM 0 H TYR A 19 -2.276 -0.924 3.853 1.00 0.64 H new ATOM 0 HA TYR A 19 -0.085 0.811 2.946 1.00 0.77 H new ATOM 0 HB2 TYR A 19 -1.311 1.111 5.701 1.00 0.90 H new ATOM 0 HB3 TYR A 19 -0.270 2.227 4.839 1.00 0.90 H new ATOM 0 HD1 TYR A 19 -1.262 3.416 2.734 1.00 2.25 H new ATOM 0 HD2 TYR A 19 -3.657 1.408 5.695 1.00 1.74 H new ATOM 0 HE1 TYR A 19 -3.299 4.532 1.859 1.00 2.41 H new ATOM 0 HE2 TYR A 19 -5.687 2.567 4.855 1.00 1.99 H new ATOM 0 HH TYR A 19 -6.296 3.551 2.308 1.00 2.06 H new ATOM 272 N LEU A 20 1.505 -0.498 4.449 1.00 1.00 N ATOM 273 CA LEU A 20 2.469 -1.408 5.070 1.00 1.02 C ATOM 274 C LEU A 20 3.879 -0.826 5.168 1.00 0.99 C ATOM 275 O LEU A 20 4.210 0.209 4.577 1.00 0.93 O ATOM 276 CB LEU A 20 2.396 -2.850 4.495 1.00 1.12 C ATOM 277 CG LEU A 20 2.689 -3.142 3.009 1.00 1.13 C ATOM 278 CD1 LEU A 20 1.770 -2.386 2.050 1.00 2.41 C ATOM 279 CD2 LEU A 20 4.153 -2.913 2.627 1.00 2.34 C ATOM 0 H LEU A 20 1.950 0.263 3.936 1.00 1.00 H new ATOM 0 HA LEU A 20 2.160 -1.514 6.110 1.00 1.02 H new ATOM 0 HB2 LEU A 20 3.086 -3.459 5.079 1.00 1.12 H new ATOM 0 HB3 LEU A 20 1.392 -3.222 4.699 1.00 1.12 H new ATOM 0 HG LEU A 20 2.478 -4.206 2.899 1.00 1.13 H new ATOM 0 HD11 LEU A 20 2.031 -2.637 1.022 1.00 2.41 H new ATOM 0 HD12 LEU A 20 0.734 -2.667 2.241 1.00 2.41 H new ATOM 0 HD13 LEU A 20 1.889 -1.313 2.202 1.00 2.41 H new ATOM 0 HD21 LEU A 20 4.292 -3.136 1.569 1.00 2.34 H new ATOM 0 HD22 LEU A 20 4.420 -1.873 2.817 1.00 2.34 H new ATOM 0 HD23 LEU A 20 4.791 -3.566 3.223 1.00 2.34 H new ATOM 291 N THR A 21 4.675 -1.527 5.970 1.00 1.12 N ATOM 292 CA THR A 21 6.034 -1.194 6.374 1.00 1.14 C ATOM 293 C THR A 21 7.019 -1.831 5.405 1.00 1.29 C ATOM 294 O THR A 21 7.020 -3.050 5.254 1.00 1.56 O ATOM 295 CB THR A 21 6.233 -1.730 7.797 1.00 1.42 C ATOM 296 OG1 THR A 21 5.261 -1.144 8.629 1.00 1.82 O ATOM 297 CG2 THR A 21 7.625 -1.434 8.344 1.00 1.87 C ATOM 0 H THR A 21 4.363 -2.406 6.383 1.00 1.12 H new ATOM 0 HA THR A 21 6.203 -0.117 6.359 1.00 1.14 H new ATOM 0 HB THR A 21 6.128 -2.815 7.772 1.00 1.42 H new ATOM 0 HG1 THR A 21 5.573 -0.264 8.927 1.00 1.82 H new ATOM 0 HG21 THR A 21 7.712 -1.835 9.354 1.00 1.87 H new ATOM 0 HG22 THR A 21 8.374 -1.899 7.703 1.00 1.87 H new ATOM 0 HG23 THR A 21 7.785 -0.356 8.367 1.00 1.87 H new ATOM 305 N LEU A 22 7.887 -1.028 4.788 1.00 1.35 N ATOM 306 CA LEU A 22 9.075 -1.508 4.079 1.00 1.67 C ATOM 307 C LEU A 22 10.293 -1.322 4.982 1.00 1.30 C ATOM 308 O LEU A 22 10.599 -0.210 5.417 1.00 1.26 O ATOM 309 CB LEU A 22 9.298 -0.750 2.749 1.00 2.25 C ATOM 310 CG LEU A 22 8.593 -1.290 1.499 1.00 2.68 C ATOM 311 CD1 LEU A 22 9.233 -2.600 1.038 1.00 3.03 C ATOM 312 CD2 LEU A 22 7.088 -1.475 1.694 1.00 3.13 C ATOM 0 H LEU A 22 7.784 -0.013 4.766 1.00 1.35 H new ATOM 0 HA LEU A 22 8.929 -2.561 3.837 1.00 1.67 H new ATOM 0 HB2 LEU A 22 8.982 0.283 2.894 1.00 2.25 H new ATOM 0 HB3 LEU A 22 10.369 -0.730 2.549 1.00 2.25 H new ATOM 0 HG LEU A 22 8.721 -0.534 0.724 1.00 2.68 H new ATOM 0 HD11 LEU A 22 8.717 -2.964 0.150 1.00 3.03 H new ATOM 0 HD12 LEU A 22 10.283 -2.429 0.802 1.00 3.03 H new ATOM 0 HD13 LEU A 22 9.156 -3.342 1.833 1.00 3.03 H new ATOM 0 HD21 LEU A 22 6.647 -1.859 0.775 1.00 3.13 H new ATOM 0 HD22 LEU A 22 6.910 -2.181 2.505 1.00 3.13 H new ATOM 0 HD23 LEU A 22 6.633 -0.516 1.942 1.00 3.13 H new ATOM 324 N GLU A 23 11.038 -2.402 5.181 1.00 1.21 N ATOM 325 CA GLU A 23 12.409 -2.363 5.670 1.00 1.06 C ATOM 326 C GLU A 23 13.270 -3.141 4.681 1.00 0.99 C ATOM 327 O GLU A 23 13.032 -4.317 4.415 1.00 1.29 O ATOM 328 CB GLU A 23 12.505 -2.943 7.087 1.00 1.27 C ATOM 329 CG GLU A 23 11.880 -1.962 8.087 1.00 2.44 C ATOM 330 CD GLU A 23 11.966 -2.414 9.540 1.00 2.76 C ATOM 331 OE1 GLU A 23 12.205 -3.613 9.784 1.00 2.80 O ATOM 332 OE2 GLU A 23 11.744 -1.535 10.404 1.00 3.91 O ATOM 0 H GLU A 23 10.699 -3.347 5.003 1.00 1.21 H new ATOM 0 HA GLU A 23 12.762 -1.334 5.738 1.00 1.06 H new ATOM 0 HB2 GLU A 23 11.991 -3.903 7.134 1.00 1.27 H new ATOM 0 HB3 GLU A 23 13.548 -3.127 7.346 1.00 1.27 H new ATOM 0 HG2 GLU A 23 12.374 -0.996 7.989 1.00 2.44 H new ATOM 0 HG3 GLU A 23 10.832 -1.812 7.826 1.00 2.44 H new ATOM 339 N ASN A 24 14.260 -2.460 4.110 1.00 0.87 N ATOM 340 CA ASN A 24 15.293 -3.082 3.293 1.00 0.83 C ATOM 341 C ASN A 24 16.491 -3.436 4.188 1.00 0.84 C ATOM 342 O ASN A 24 17.117 -2.518 4.722 1.00 0.82 O ATOM 343 CB ASN A 24 15.716 -2.087 2.210 1.00 0.93 C ATOM 344 CG ASN A 24 16.758 -2.687 1.280 1.00 0.94 C ATOM 345 OD1 ASN A 24 17.052 -3.876 1.302 1.00 1.48 O ATOM 346 ND2 ASN A 24 17.329 -1.867 0.433 1.00 0.88 N ATOM 0 H ASN A 24 14.367 -1.450 4.204 1.00 0.87 H new ATOM 0 HA ASN A 24 14.920 -3.993 2.825 1.00 0.83 H new ATOM 0 HB2 ASN A 24 14.843 -1.783 1.632 1.00 0.93 H new ATOM 0 HB3 ASN A 24 16.118 -1.188 2.677 1.00 0.93 H new ATOM 0 HD21 ASN A 24 18.030 -2.216 -0.221 1.00 0.88 H new ATOM 0 HD22 ASN A 24 17.073 -0.880 0.428 1.00 0.88 H new ATOM 353 N PRO A 25 16.826 -4.726 4.362 1.00 1.04 N ATOM 354 CA PRO A 25 17.958 -5.158 5.178 1.00 1.12 C ATOM 355 C PRO A 25 19.299 -5.237 4.431 1.00 1.15 C ATOM 356 O PRO A 25 20.322 -5.434 5.084 1.00 1.23 O ATOM 357 CB PRO A 25 17.547 -6.550 5.670 1.00 1.25 C ATOM 358 CG PRO A 25 16.742 -7.089 4.484 1.00 1.31 C ATOM 359 CD PRO A 25 15.981 -5.861 4.017 1.00 1.19 C ATOM 0 HA PRO A 25 18.145 -4.432 5.969 1.00 1.12 H new ATOM 0 HB2 PRO A 25 18.412 -7.175 5.892 1.00 1.25 H new ATOM 0 HB3 PRO A 25 16.948 -6.500 6.579 1.00 1.25 H new ATOM 0 HG2 PRO A 25 17.389 -7.487 3.702 1.00 1.31 H new ATOM 0 HG3 PRO A 25 16.070 -7.894 4.782 1.00 1.31 H new ATOM 0 HD2 PRO A 25 15.794 -5.899 2.944 1.00 1.19 H new ATOM 0 HD3 PRO A 25 15.010 -5.791 4.507 1.00 1.19 H new ATOM 367 N GLY A 26 19.323 -5.113 3.097 1.00 1.11 N ATOM 368 CA GLY A 26 20.529 -5.262 2.296 1.00 1.18 C ATOM 369 C GLY A 26 21.251 -3.938 2.106 1.00 1.14 C ATOM 370 O GLY A 26 20.663 -2.865 2.159 1.00 1.60 O ATOM 0 H GLY A 26 18.492 -4.904 2.544 1.00 1.11 H new ATOM 0 HA2 GLY A 26 21.199 -5.975 2.777 1.00 1.18 H new ATOM 0 HA3 GLY A 26 20.269 -5.677 1.322 1.00 1.18 H new ATOM 374 N ASP A 27 22.530 -4.057 1.777 1.00 1.13 N ATOM 375 CA ASP A 27 23.485 -2.996 1.436 1.00 1.42 C ATOM 376 C ASP A 27 23.314 -2.491 -0.013 1.00 1.28 C ATOM 377 O ASP A 27 24.092 -1.696 -0.536 1.00 1.50 O ATOM 378 CB ASP A 27 24.876 -3.592 1.662 1.00 1.91 C ATOM 379 CG ASP A 27 25.253 -3.583 3.143 1.00 2.48 C ATOM 380 OD1 ASP A 27 24.903 -4.543 3.867 1.00 2.59 O ATOM 381 OD2 ASP A 27 25.833 -2.583 3.622 1.00 3.70 O ATOM 0 H ASP A 27 22.970 -4.976 1.737 1.00 1.13 H new ATOM 0 HA ASP A 27 23.320 -2.118 2.060 1.00 1.42 H new ATOM 0 HB2 ASP A 27 24.901 -4.614 1.285 1.00 1.91 H new ATOM 0 HB3 ASP A 27 25.613 -3.025 1.094 1.00 1.91 H new ATOM 386 N LEU A 28 22.253 -2.969 -0.654 1.00 1.00 N ATOM 387 CA LEU A 28 21.803 -2.678 -2.004 1.00 0.90 C ATOM 388 C LEU A 28 20.339 -2.213 -1.964 1.00 0.82 C ATOM 389 O LEU A 28 19.597 -2.640 -1.076 1.00 0.82 O ATOM 390 CB LEU A 28 22.050 -3.937 -2.852 1.00 0.97 C ATOM 391 CG LEU A 28 21.247 -5.204 -2.467 1.00 1.43 C ATOM 392 CD1 LEU A 28 19.886 -5.291 -3.182 1.00 1.85 C ATOM 393 CD2 LEU A 28 22.052 -6.459 -2.838 1.00 1.95 C ATOM 0 H LEU A 28 21.629 -3.633 -0.195 1.00 1.00 H new ATOM 0 HA LEU A 28 22.354 -1.859 -2.466 1.00 0.90 H new ATOM 0 HB2 LEU A 28 21.827 -3.696 -3.891 1.00 0.97 H new ATOM 0 HB3 LEU A 28 23.112 -4.179 -2.801 1.00 0.97 H new ATOM 0 HG LEU A 28 21.069 -5.142 -1.393 1.00 1.43 H new ATOM 0 HD11 LEU A 28 19.370 -6.200 -2.872 1.00 1.85 H new ATOM 0 HD12 LEU A 28 19.281 -4.423 -2.920 1.00 1.85 H new ATOM 0 HD13 LEU A 28 20.042 -5.312 -4.261 1.00 1.85 H new ATOM 0 HD21 LEU A 28 21.484 -7.349 -2.566 1.00 1.95 H new ATOM 0 HD22 LEU A 28 22.243 -6.465 -3.911 1.00 1.95 H new ATOM 0 HD23 LEU A 28 23.000 -6.455 -2.301 1.00 1.95 H new ATOM 405 N PRO A 29 19.896 -1.355 -2.899 1.00 0.83 N ATOM 406 CA PRO A 29 18.584 -0.728 -2.837 1.00 0.80 C ATOM 407 C PRO A 29 17.480 -1.702 -3.267 1.00 0.75 C ATOM 408 O PRO A 29 17.688 -2.561 -4.128 1.00 0.82 O ATOM 409 CB PRO A 29 18.675 0.487 -3.763 1.00 0.90 C ATOM 410 CG PRO A 29 19.707 0.062 -4.811 1.00 0.96 C ATOM 411 CD PRO A 29 20.638 -0.902 -4.065 1.00 0.92 C ATOM 0 HA PRO A 29 18.320 -0.431 -1.822 1.00 0.80 H new ATOM 0 HB2 PRO A 29 17.712 0.717 -4.219 1.00 0.90 H new ATOM 0 HB3 PRO A 29 18.994 1.379 -3.224 1.00 0.90 H new ATOM 0 HG2 PRO A 29 19.231 -0.425 -5.662 1.00 0.96 H new ATOM 0 HG3 PRO A 29 20.254 0.921 -5.200 1.00 0.96 H new ATOM 0 HD2 PRO A 29 20.919 -1.743 -4.700 1.00 0.92 H new ATOM 0 HD3 PRO A 29 21.561 -0.403 -3.770 1.00 0.92 H new ATOM 419 N LEU A 30 16.286 -1.526 -2.695 1.00 0.69 N ATOM 420 CA LEU A 30 15.050 -2.125 -3.196 1.00 0.65 C ATOM 421 C LEU A 30 14.223 -1.090 -3.942 1.00 0.62 C ATOM 422 O LEU A 30 14.230 0.102 -3.651 1.00 0.67 O ATOM 423 CB LEU A 30 14.209 -2.736 -2.057 1.00 0.68 C ATOM 424 CG LEU A 30 14.783 -4.050 -1.525 1.00 0.67 C ATOM 425 CD1 LEU A 30 14.092 -4.438 -0.209 1.00 1.54 C ATOM 426 CD2 LEU A 30 14.655 -5.239 -2.483 1.00 1.60 C ATOM 0 H LEU A 30 16.151 -0.956 -1.860 1.00 0.69 H new ATOM 0 HA LEU A 30 15.332 -2.927 -3.878 1.00 0.65 H new ATOM 0 HB2 LEU A 30 14.141 -2.019 -1.239 1.00 0.68 H new ATOM 0 HB3 LEU A 30 13.194 -2.909 -2.415 1.00 0.68 H new ATOM 0 HG LEU A 30 15.846 -3.852 -1.389 1.00 0.67 H new ATOM 0 HD11 LEU A 30 14.510 -5.375 0.159 1.00 1.54 H new ATOM 0 HD12 LEU A 30 14.252 -3.654 0.531 1.00 1.54 H new ATOM 0 HD13 LEU A 30 13.023 -4.561 -0.382 1.00 1.54 H new ATOM 0 HD21 LEU A 30 15.089 -6.126 -2.022 1.00 1.60 H new ATOM 0 HD22 LEU A 30 13.602 -5.420 -2.699 1.00 1.60 H new ATOM 0 HD23 LEU A 30 15.183 -5.017 -3.410 1.00 1.60 H new ATOM 438 N ARG A 31 13.434 -1.619 -4.864 1.00 0.59 N ATOM 439 CA ARG A 31 12.516 -0.849 -5.708 1.00 0.53 C ATOM 440 C ARG A 31 11.205 -1.595 -5.884 1.00 0.54 C ATOM 441 O ARG A 31 11.150 -2.570 -6.633 1.00 0.64 O ATOM 442 CB ARG A 31 13.188 -0.564 -7.057 1.00 0.53 C ATOM 443 CG ARG A 31 12.282 0.209 -8.034 1.00 0.60 C ATOM 444 CD ARG A 31 13.004 1.307 -8.825 1.00 0.59 C ATOM 445 NE ARG A 31 14.210 0.835 -9.536 1.00 1.36 N ATOM 446 CZ ARG A 31 15.469 1.070 -9.174 1.00 1.29 C ATOM 447 NH1 ARG A 31 15.782 1.711 -8.073 1.00 2.03 N ATOM 448 NH2 ARG A 31 16.459 0.645 -9.930 1.00 2.45 N ATOM 0 H ARG A 31 13.409 -2.621 -5.056 1.00 0.59 H new ATOM 0 HA ARG A 31 12.286 0.102 -5.228 1.00 0.53 H new ATOM 0 HB2 ARG A 31 14.100 0.008 -6.888 1.00 0.53 H new ATOM 0 HB3 ARG A 31 13.484 -1.508 -7.515 1.00 0.53 H new ATOM 0 HG2 ARG A 31 11.838 -0.497 -8.736 1.00 0.60 H new ATOM 0 HG3 ARG A 31 11.463 0.659 -7.473 1.00 0.60 H new ATOM 0 HD2 ARG A 31 12.311 1.735 -9.549 1.00 0.59 H new ATOM 0 HD3 ARG A 31 13.287 2.108 -8.142 1.00 0.59 H new ATOM 0 HE ARG A 31 14.065 0.280 -10.379 1.00 1.36 H new ATOM 0 HH11 ARG A 31 15.046 2.052 -7.455 1.00 2.03 H new ATOM 0 HH12 ARG A 31 16.761 1.868 -7.835 1.00 2.03 H new ATOM 0 HH21 ARG A 31 16.261 0.137 -10.792 1.00 2.45 H new ATOM 0 HH22 ARG A 31 17.425 0.824 -9.654 1.00 2.45 H new ATOM 462 N LEU A 32 10.160 -1.178 -5.176 1.00 0.48 N ATOM 463 CA LEU A 32 8.850 -1.816 -5.228 1.00 0.53 C ATOM 464 C LEU A 32 8.108 -1.333 -6.469 1.00 0.57 C ATOM 465 O LEU A 32 7.728 -0.173 -6.531 1.00 0.58 O ATOM 466 CB LEU A 32 8.100 -1.515 -3.921 1.00 0.56 C ATOM 467 CG LEU A 32 6.804 -2.346 -3.785 1.00 0.79 C ATOM 468 CD1 LEU A 32 6.489 -2.553 -2.299 1.00 1.47 C ATOM 469 CD2 LEU A 32 5.600 -1.697 -4.486 1.00 2.26 C ATOM 0 H LEU A 32 10.200 -0.379 -4.543 1.00 0.48 H new ATOM 0 HA LEU A 32 8.937 -2.899 -5.310 1.00 0.53 H new ATOM 0 HB2 LEU A 32 8.753 -1.723 -3.074 1.00 0.56 H new ATOM 0 HB3 LEU A 32 7.855 -0.454 -3.881 1.00 0.56 H new ATOM 0 HG LEU A 32 6.978 -3.302 -4.278 1.00 0.79 H new ATOM 0 HD11 LEU A 32 5.575 -3.139 -2.199 1.00 1.47 H new ATOM 0 HD12 LEU A 32 7.314 -3.083 -1.823 1.00 1.47 H new ATOM 0 HD13 LEU A 32 6.354 -1.585 -1.817 1.00 1.47 H new ATOM 0 HD21 LEU A 32 4.720 -2.327 -4.355 1.00 2.26 H new ATOM 0 HD22 LEU A 32 5.411 -0.715 -4.051 1.00 2.26 H new ATOM 0 HD23 LEU A 32 5.813 -1.588 -5.549 1.00 2.26 H new ATOM 481 N VAL A 33 7.860 -2.226 -7.422 1.00 0.59 N ATOM 482 CA VAL A 33 7.157 -1.924 -8.686 1.00 0.56 C ATOM 483 C VAL A 33 5.707 -2.450 -8.674 1.00 0.53 C ATOM 484 O VAL A 33 4.878 -2.015 -9.473 1.00 0.53 O ATOM 485 CB VAL A 33 7.919 -2.522 -9.899 1.00 0.60 C ATOM 486 CG1 VAL A 33 9.359 -1.983 -10.005 1.00 0.62 C ATOM 487 CG2 VAL A 33 8.015 -4.063 -9.869 1.00 0.63 C ATOM 0 H VAL A 33 8.144 -3.203 -7.346 1.00 0.59 H new ATOM 0 HA VAL A 33 7.126 -0.839 -8.781 1.00 0.56 H new ATOM 0 HB VAL A 33 7.325 -2.213 -10.759 1.00 0.60 H new ATOM 0 HG11 VAL A 33 9.852 -2.430 -10.868 1.00 0.62 H new ATOM 0 HG12 VAL A 33 9.334 -0.900 -10.122 1.00 0.62 H new ATOM 0 HG13 VAL A 33 9.910 -2.238 -9.100 1.00 0.62 H new ATOM 0 HG21 VAL A 33 8.560 -4.411 -10.747 1.00 0.63 H new ATOM 0 HG22 VAL A 33 8.541 -4.377 -8.967 1.00 0.63 H new ATOM 0 HG23 VAL A 33 7.012 -4.490 -9.872 1.00 0.63 H new ATOM 497 N GLY A 34 5.405 -3.417 -7.792 1.00 0.55 N ATOM 498 CA GLY A 34 4.104 -4.076 -7.689 1.00 0.55 C ATOM 499 C GLY A 34 3.835 -4.749 -6.348 1.00 0.57 C ATOM 500 O GLY A 34 4.660 -4.717 -5.432 1.00 0.58 O ATOM 0 H GLY A 34 6.082 -3.768 -7.114 1.00 0.55 H new ATOM 0 HA2 GLY A 34 3.323 -3.338 -7.873 1.00 0.55 H new ATOM 0 HA3 GLY A 34 4.028 -4.825 -8.478 1.00 0.55 H new ATOM 504 N ALA A 35 2.688 -5.416 -6.275 1.00 0.59 N ATOM 505 CA ALA A 35 2.259 -6.227 -5.143 1.00 0.57 C ATOM 506 C ALA A 35 1.324 -7.371 -5.578 1.00 0.54 C ATOM 507 O ALA A 35 1.035 -7.544 -6.765 1.00 0.54 O ATOM 508 CB ALA A 35 1.625 -5.296 -4.095 1.00 0.61 C ATOM 0 H ALA A 35 2.006 -5.405 -7.033 1.00 0.59 H new ATOM 0 HA ALA A 35 3.119 -6.724 -4.694 1.00 0.57 H new ATOM 0 HB1 ALA A 35 1.296 -5.884 -3.238 1.00 0.61 H new ATOM 0 HB2 ALA A 35 2.360 -4.560 -3.770 1.00 0.61 H new ATOM 0 HB3 ALA A 35 0.769 -4.784 -4.534 1.00 0.61 H new ATOM 514 N ARG A 36 0.847 -8.130 -4.593 1.00 0.53 N ATOM 515 CA ARG A 36 -0.288 -9.056 -4.639 1.00 0.54 C ATOM 516 C ARG A 36 -0.808 -9.216 -3.193 1.00 0.59 C ATOM 517 O ARG A 36 -0.273 -8.617 -2.262 1.00 0.76 O ATOM 518 CB ARG A 36 0.123 -10.351 -5.390 1.00 0.73 C ATOM 519 CG ARG A 36 -0.853 -11.533 -5.272 1.00 1.75 C ATOM 520 CD ARG A 36 -0.423 -12.750 -6.088 1.00 1.67 C ATOM 521 NE ARG A 36 -1.034 -12.739 -7.428 1.00 2.26 N ATOM 522 CZ ARG A 36 -0.651 -13.479 -8.461 1.00 3.11 C ATOM 523 NH1 ARG A 36 0.431 -14.231 -8.412 1.00 3.55 N ATOM 524 NH2 ARG A 36 -1.370 -13.475 -9.566 1.00 4.23 N ATOM 0 H ARG A 36 1.277 -8.114 -3.668 1.00 0.53 H new ATOM 0 HA ARG A 36 -1.133 -8.688 -5.221 1.00 0.54 H new ATOM 0 HB2 ARG A 36 0.248 -10.112 -6.446 1.00 0.73 H new ATOM 0 HB3 ARG A 36 1.097 -10.670 -5.018 1.00 0.73 H new ATOM 0 HG2 ARG A 36 -0.942 -11.819 -4.224 1.00 1.75 H new ATOM 0 HG3 ARG A 36 -1.842 -11.214 -5.601 1.00 1.75 H new ATOM 0 HD2 ARG A 36 0.663 -12.763 -6.181 1.00 1.67 H new ATOM 0 HD3 ARG A 36 -0.709 -13.662 -5.563 1.00 1.67 H new ATOM 0 HE ARG A 36 -1.821 -12.107 -7.575 1.00 2.26 H new ATOM 0 HH11 ARG A 36 0.998 -14.254 -7.564 1.00 3.55 H new ATOM 0 HH12 ARG A 36 0.701 -14.789 -9.222 1.00 3.55 H new ATOM 0 HH21 ARG A 36 -2.214 -12.906 -9.623 1.00 4.23 H new ATOM 0 HH22 ARG A 36 -1.082 -14.041 -10.364 1.00 4.23 H new ATOM 538 N THR A 37 -1.889 -9.968 -3.003 1.00 0.59 N ATOM 539 CA THR A 37 -2.574 -10.274 -1.744 1.00 0.66 C ATOM 540 C THR A 37 -3.557 -11.410 -2.037 1.00 0.68 C ATOM 541 O THR A 37 -4.047 -11.480 -3.167 1.00 0.64 O ATOM 542 CB THR A 37 -3.253 -9.020 -1.164 1.00 0.66 C ATOM 543 OG1 THR A 37 -4.126 -9.359 -0.119 1.00 0.74 O ATOM 544 CG2 THR A 37 -4.084 -8.221 -2.165 1.00 0.59 C ATOM 0 H THR A 37 -2.350 -10.419 -3.793 1.00 0.59 H new ATOM 0 HA THR A 37 -1.871 -10.595 -0.975 1.00 0.66 H new ATOM 0 HB THR A 37 -2.416 -8.405 -0.832 1.00 0.66 H new ATOM 0 HG1 THR A 37 -3.632 -9.376 0.727 1.00 0.74 H new ATOM 0 HG21 THR A 37 -4.523 -7.357 -1.666 1.00 0.59 H new ATOM 0 HG22 THR A 37 -3.445 -7.883 -2.981 1.00 0.59 H new ATOM 0 HG23 THR A 37 -4.878 -8.852 -2.564 1.00 0.59 H new ATOM 552 N PRO A 38 -3.896 -12.277 -1.065 1.00 0.80 N ATOM 553 CA PRO A 38 -4.919 -13.299 -1.252 1.00 0.85 C ATOM 554 C PRO A 38 -6.340 -12.726 -1.301 1.00 0.82 C ATOM 555 O PRO A 38 -7.284 -13.471 -1.544 1.00 0.96 O ATOM 556 CB PRO A 38 -4.722 -14.262 -0.087 1.00 0.99 C ATOM 557 CG PRO A 38 -4.135 -13.405 1.030 1.00 1.01 C ATOM 558 CD PRO A 38 -3.324 -12.361 0.272 1.00 0.93 C ATOM 0 HA PRO A 38 -4.811 -13.795 -2.216 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.666 -14.715 0.216 1.00 0.99 H new ATOM 0 HB3 PRO A 38 -4.049 -15.076 -0.356 1.00 0.99 H new ATOM 0 HG2 PRO A 38 -4.914 -12.947 1.639 1.00 1.01 H new ATOM 0 HG3 PRO A 38 -3.509 -13.992 1.702 1.00 1.01 H new ATOM 0 HD2 PRO A 38 -3.371 -11.395 0.774 1.00 0.93 H new ATOM 0 HD3 PRO A 38 -2.273 -12.646 0.226 1.00 0.93 H new ATOM 566 N VAL A 39 -6.492 -11.419 -1.066 1.00 0.73 N ATOM 567 CA VAL A 39 -7.783 -10.702 -1.113 1.00 0.70 C ATOM 568 C VAL A 39 -7.813 -9.559 -2.143 1.00 0.63 C ATOM 569 O VAL A 39 -8.285 -8.461 -1.856 1.00 0.72 O ATOM 570 CB VAL A 39 -8.266 -10.260 0.288 1.00 0.74 C ATOM 571 CG1 VAL A 39 -8.480 -11.473 1.204 1.00 0.89 C ATOM 572 CG2 VAL A 39 -7.299 -9.296 0.983 1.00 0.77 C ATOM 0 H VAL A 39 -5.707 -10.811 -0.832 1.00 0.73 H new ATOM 0 HA VAL A 39 -8.510 -11.430 -1.473 1.00 0.70 H new ATOM 0 HB VAL A 39 -9.207 -9.737 0.119 1.00 0.74 H new ATOM 0 HG11 VAL A 39 -8.819 -11.134 2.183 1.00 0.89 H new ATOM 0 HG12 VAL A 39 -9.231 -12.131 0.767 1.00 0.89 H new ATOM 0 HG13 VAL A 39 -7.541 -12.016 1.313 1.00 0.89 H new ATOM 0 HG21 VAL A 39 -7.696 -9.024 1.961 1.00 0.77 H new ATOM 0 HG22 VAL A 39 -6.330 -9.779 1.106 1.00 0.77 H new ATOM 0 HG23 VAL A 39 -7.182 -8.398 0.377 1.00 0.77 H new ATOM 582 N ALA A 40 -7.387 -9.839 -3.381 1.00 0.55 N ATOM 583 CA ALA A 40 -7.665 -8.987 -4.547 1.00 0.52 C ATOM 584 C ALA A 40 -7.436 -9.725 -5.881 1.00 0.60 C ATOM 585 O ALA A 40 -6.573 -10.596 -5.978 1.00 0.89 O ATOM 586 CB ALA A 40 -6.796 -7.717 -4.498 1.00 0.56 C ATOM 0 H ALA A 40 -6.836 -10.668 -3.605 1.00 0.55 H new ATOM 0 HA ALA A 40 -8.719 -8.714 -4.500 1.00 0.52 H new ATOM 0 HB1 ALA A 40 -7.011 -7.095 -5.367 1.00 0.56 H new ATOM 0 HB2 ALA A 40 -7.018 -7.159 -3.588 1.00 0.56 H new ATOM 0 HB3 ALA A 40 -5.742 -7.997 -4.504 1.00 0.56 H new ATOM 592 N GLU A 41 -8.174 -9.304 -6.908 1.00 0.59 N ATOM 593 CA GLU A 41 -7.987 -9.676 -8.319 1.00 0.71 C ATOM 594 C GLU A 41 -7.022 -8.696 -9.026 1.00 0.67 C ATOM 595 O GLU A 41 -6.110 -9.096 -9.749 1.00 0.84 O ATOM 596 CB GLU A 41 -9.359 -9.629 -9.026 1.00 0.88 C ATOM 597 CG GLU A 41 -9.493 -10.632 -10.179 1.00 1.17 C ATOM 598 CD GLU A 41 -10.036 -11.950 -9.641 1.00 1.97 C ATOM 599 OE1 GLU A 41 -9.271 -12.731 -9.038 1.00 3.06 O ATOM 600 OE2 GLU A 41 -11.275 -12.126 -9.628 1.00 2.73 O ATOM 0 H GLU A 41 -8.957 -8.664 -6.777 1.00 0.59 H new ATOM 0 HA GLU A 41 -7.559 -10.677 -8.367 1.00 0.71 H new ATOM 0 HB2 GLU A 41 -10.142 -9.824 -8.293 1.00 0.88 H new ATOM 0 HB3 GLU A 41 -9.526 -8.623 -9.410 1.00 0.88 H new ATOM 0 HG2 GLU A 41 -10.160 -10.236 -10.945 1.00 1.17 H new ATOM 0 HG3 GLU A 41 -8.524 -10.791 -10.652 1.00 1.17 H new ATOM 607 N ARG A 42 -7.206 -7.389 -8.783 1.00 0.62 N ATOM 608 CA ARG A 42 -6.330 -6.297 -9.215 1.00 0.64 C ATOM 609 C ARG A 42 -5.715 -5.662 -7.978 1.00 0.55 C ATOM 610 O ARG A 42 -6.440 -5.289 -7.057 1.00 0.69 O ATOM 611 CB ARG A 42 -7.134 -5.210 -9.950 1.00 0.92 C ATOM 612 CG ARG A 42 -7.498 -5.588 -11.391 1.00 1.23 C ATOM 613 CD ARG A 42 -8.553 -4.645 -11.992 1.00 1.92 C ATOM 614 NE ARG A 42 -8.115 -3.234 -12.089 1.00 3.15 N ATOM 615 CZ ARG A 42 -8.472 -2.355 -13.021 1.00 4.06 C ATOM 616 NH1 ARG A 42 -9.225 -2.678 -14.055 1.00 4.17 N ATOM 617 NH2 ARG A 42 -8.071 -1.112 -12.909 1.00 5.67 N ATOM 0 H ARG A 42 -8.010 -7.052 -8.254 1.00 0.62 H new ATOM 0 HA ARG A 42 -5.570 -6.699 -9.885 1.00 0.64 H new ATOM 0 HB2 ARG A 42 -8.049 -5.007 -9.394 1.00 0.92 H new ATOM 0 HB3 ARG A 42 -6.556 -4.286 -9.960 1.00 0.92 H new ATOM 0 HG2 ARG A 42 -6.600 -5.566 -12.008 1.00 1.23 H new ATOM 0 HG3 ARG A 42 -7.874 -6.611 -11.412 1.00 1.23 H new ATOM 0 HD2 ARG A 42 -8.819 -5.001 -12.987 1.00 1.92 H new ATOM 0 HD3 ARG A 42 -9.457 -4.693 -11.384 1.00 1.92 H new ATOM 0 HE ARG A 42 -7.474 -2.902 -11.368 1.00 3.15 H new ATOM 0 HH11 ARG A 42 -9.558 -3.636 -14.164 1.00 4.17 H new ATOM 0 HH12 ARG A 42 -9.474 -1.970 -14.746 1.00 4.17 H new ATOM 0 HH21 ARG A 42 -7.494 -0.832 -12.116 1.00 5.67 H new ATOM 0 HH22 ARG A 42 -8.336 -0.425 -13.615 1.00 5.67 H new ATOM 631 N VAL A 43 -4.400 -5.487 -7.996 1.00 0.60 N ATOM 632 CA VAL A 43 -3.724 -4.459 -7.196 1.00 0.53 C ATOM 633 C VAL A 43 -3.215 -3.370 -8.143 1.00 0.76 C ATOM 634 O VAL A 43 -2.884 -3.656 -9.295 1.00 1.24 O ATOM 635 CB VAL A 43 -2.600 -5.034 -6.304 1.00 0.58 C ATOM 636 CG1 VAL A 43 -1.301 -5.332 -7.068 1.00 0.85 C ATOM 637 CG2 VAL A 43 -2.276 -4.113 -5.117 1.00 0.65 C ATOM 0 H VAL A 43 -3.767 -6.051 -8.564 1.00 0.60 H new ATOM 0 HA VAL A 43 -4.439 -4.028 -6.495 1.00 0.53 H new ATOM 0 HB VAL A 43 -3.000 -5.979 -5.937 1.00 0.58 H new ATOM 0 HG11 VAL A 43 -0.557 -5.733 -6.379 1.00 0.85 H new ATOM 0 HG12 VAL A 43 -1.500 -6.062 -7.852 1.00 0.85 H new ATOM 0 HG13 VAL A 43 -0.923 -4.413 -7.515 1.00 0.85 H new ATOM 0 HG21 VAL A 43 -1.481 -4.557 -4.518 1.00 0.65 H new ATOM 0 HG22 VAL A 43 -1.951 -3.141 -5.489 1.00 0.65 H new ATOM 0 HG23 VAL A 43 -3.166 -3.986 -4.501 1.00 0.65 H new ATOM 647 N GLU A 44 -3.152 -2.140 -7.643 1.00 0.52 N ATOM 648 CA GLU A 44 -2.535 -0.986 -8.296 1.00 0.51 C ATOM 649 C GLU A 44 -1.668 -0.259 -7.270 1.00 0.51 C ATOM 650 O GLU A 44 -1.992 -0.244 -6.082 1.00 0.67 O ATOM 651 CB GLU A 44 -3.614 -0.019 -8.805 1.00 0.61 C ATOM 652 CG GLU A 44 -4.418 -0.585 -9.982 1.00 1.19 C ATOM 653 CD GLU A 44 -5.704 0.200 -10.231 1.00 2.00 C ATOM 654 OE1 GLU A 44 -5.706 1.433 -10.006 1.00 2.82 O ATOM 655 OE2 GLU A 44 -6.690 -0.451 -10.650 1.00 2.91 O ATOM 0 H GLU A 44 -3.546 -1.908 -6.731 1.00 0.52 H new ATOM 0 HA GLU A 44 -1.937 -1.326 -9.141 1.00 0.51 H new ATOM 0 HB2 GLU A 44 -4.295 0.220 -7.988 1.00 0.61 H new ATOM 0 HB3 GLU A 44 -3.142 0.915 -9.110 1.00 0.61 H new ATOM 0 HG2 GLU A 44 -3.803 -0.567 -10.882 1.00 1.19 H new ATOM 0 HG3 GLU A 44 -4.663 -1.628 -9.784 1.00 1.19 H new ATOM 662 N LEU A 45 -0.579 0.366 -7.718 1.00 0.62 N ATOM 663 CA LEU A 45 0.273 1.181 -6.854 1.00 0.70 C ATOM 664 C LEU A 45 -0.043 2.660 -7.069 1.00 0.62 C ATOM 665 O LEU A 45 0.106 3.182 -8.177 1.00 0.63 O ATOM 666 CB LEU A 45 1.737 0.833 -7.151 1.00 1.03 C ATOM 667 CG LEU A 45 2.736 1.617 -6.283 1.00 0.53 C ATOM 668 CD1 LEU A 45 2.669 1.267 -4.792 1.00 0.83 C ATOM 669 CD2 LEU A 45 4.137 1.290 -6.787 1.00 1.04 C ATOM 0 H LEU A 45 -0.264 0.321 -8.687 1.00 0.62 H new ATOM 0 HA LEU A 45 0.086 0.972 -5.801 1.00 0.70 H new ATOM 0 HB2 LEU A 45 1.889 -0.235 -6.993 1.00 1.03 H new ATOM 0 HB3 LEU A 45 1.945 1.033 -8.202 1.00 1.03 H new ATOM 0 HG LEU A 45 2.485 2.674 -6.369 1.00 0.53 H new ATOM 0 HD11 LEU A 45 3.402 1.860 -4.246 1.00 0.83 H new ATOM 0 HD12 LEU A 45 1.671 1.484 -4.412 1.00 0.83 H new ATOM 0 HD13 LEU A 45 2.886 0.207 -4.657 1.00 0.83 H new ATOM 0 HD21 LEU A 45 4.873 1.831 -6.192 1.00 1.04 H new ATOM 0 HD22 LEU A 45 4.315 0.218 -6.698 1.00 1.04 H new ATOM 0 HD23 LEU A 45 4.226 1.587 -7.832 1.00 1.04 H new ATOM 681 N HIS A 46 -0.493 3.334 -6.012 1.00 0.61 N ATOM 682 CA HIS A 46 -0.907 4.733 -6.023 1.00 0.60 C ATOM 683 C HIS A 46 -0.085 5.618 -5.070 1.00 0.62 C ATOM 684 O HIS A 46 0.508 5.190 -4.073 1.00 0.70 O ATOM 685 CB HIS A 46 -2.393 4.834 -5.607 1.00 0.58 C ATOM 686 CG HIS A 46 -3.460 4.320 -6.538 1.00 0.54 C ATOM 687 ND1 HIS A 46 -4.819 4.363 -6.252 1.00 0.51 N ATOM 688 CD2 HIS A 46 -3.316 3.708 -7.750 1.00 0.58 C ATOM 689 CE1 HIS A 46 -5.458 3.775 -7.266 1.00 0.53 C ATOM 690 NE2 HIS A 46 -4.580 3.359 -8.193 1.00 0.58 N ATOM 0 H HIS A 46 -0.582 2.904 -5.092 1.00 0.61 H new ATOM 0 HA HIS A 46 -0.745 5.094 -7.039 1.00 0.60 H new ATOM 0 HB2 HIS A 46 -2.504 4.306 -4.660 1.00 0.58 H new ATOM 0 HB3 HIS A 46 -2.607 5.885 -5.413 1.00 0.58 H new ATOM 0 HD1 HIS A 46 -5.249 4.769 -5.421 1.00 0.51 H new ATOM 0 HD2 HIS A 46 -2.386 3.529 -8.268 1.00 0.58 H new ATOM 0 HE1 HIS A 46 -6.529 3.651 -7.331 1.00 0.53 H new ATOM 0 HE2 HIS A 46 -4.803 2.875 -9.063 1.00 0.58 H new ATOM 698 N GLU A 47 -0.198 6.912 -5.341 1.00 0.57 N ATOM 699 CA GLU A 47 0.019 7.979 -4.376 1.00 0.57 C ATOM 700 C GLU A 47 -1.283 8.705 -4.018 1.00 0.67 C ATOM 701 O GLU A 47 -2.222 8.753 -4.822 1.00 0.93 O ATOM 702 CB GLU A 47 1.113 8.911 -4.891 1.00 0.58 C ATOM 703 CG GLU A 47 0.735 9.883 -6.007 1.00 0.71 C ATOM 704 CD GLU A 47 1.880 10.862 -6.289 1.00 1.37 C ATOM 705 OE1 GLU A 47 3.063 10.447 -6.223 1.00 2.83 O ATOM 706 OE2 GLU A 47 1.536 12.030 -6.570 1.00 1.80 O ATOM 0 H GLU A 47 -0.451 7.257 -6.267 1.00 0.57 H new ATOM 0 HA GLU A 47 0.364 7.549 -3.436 1.00 0.57 H new ATOM 0 HB2 GLU A 47 1.485 9.493 -4.048 1.00 0.58 H new ATOM 0 HB3 GLU A 47 1.941 8.297 -5.244 1.00 0.58 H new ATOM 0 HG2 GLU A 47 0.495 9.327 -6.913 1.00 0.71 H new ATOM 0 HG3 GLU A 47 -0.161 10.436 -5.725 1.00 0.71 H new ATOM 713 N THR A 48 -1.313 9.273 -2.807 1.00 0.79 N ATOM 714 CA THR A 48 -2.232 10.338 -2.389 1.00 0.67 C ATOM 715 C THR A 48 -1.385 11.600 -2.242 1.00 0.73 C ATOM 716 O THR A 48 -0.205 11.498 -1.910 1.00 0.91 O ATOM 717 CB THR A 48 -2.900 10.001 -1.049 1.00 0.60 C ATOM 718 OG1 THR A 48 -3.651 8.814 -1.141 1.00 0.72 O ATOM 719 CG2 THR A 48 -3.866 11.069 -0.532 1.00 0.63 C ATOM 0 H THR A 48 -0.674 8.993 -2.063 1.00 0.79 H new ATOM 0 HA THR A 48 -3.029 10.465 -3.121 1.00 0.67 H new ATOM 0 HB THR A 48 -2.061 9.916 -0.358 1.00 0.60 H new ATOM 0 HG1 THR A 48 -3.825 8.466 -0.241 1.00 0.72 H new ATOM 0 HG21 THR A 48 -4.290 10.746 0.419 1.00 0.63 H new ATOM 0 HG22 THR A 48 -3.329 12.007 -0.390 1.00 0.63 H new ATOM 0 HG23 THR A 48 -4.668 11.216 -1.256 1.00 0.63 H new ATOM 727 N PHE A 49 -1.975 12.778 -2.423 1.00 0.65 N ATOM 728 CA PHE A 49 -1.301 14.069 -2.264 1.00 0.69 C ATOM 729 C PHE A 49 -2.269 15.162 -1.807 1.00 0.71 C ATOM 730 O PHE A 49 -3.485 14.992 -1.816 1.00 0.69 O ATOM 731 CB PHE A 49 -0.620 14.465 -3.585 1.00 0.68 C ATOM 732 CG PHE A 49 -1.529 14.449 -4.801 1.00 0.70 C ATOM 733 CD1 PHE A 49 -2.395 15.527 -5.067 1.00 1.54 C ATOM 734 CD2 PHE A 49 -1.508 13.352 -5.677 1.00 2.05 C ATOM 735 CE1 PHE A 49 -3.220 15.513 -6.203 1.00 1.52 C ATOM 736 CE2 PHE A 49 -2.319 13.341 -6.822 1.00 2.15 C ATOM 737 CZ PHE A 49 -3.175 14.423 -7.092 1.00 0.89 C ATOM 0 H PHE A 49 -2.955 12.867 -2.690 1.00 0.65 H new ATOM 0 HA PHE A 49 -0.545 13.964 -1.486 1.00 0.69 H new ATOM 0 HB2 PHE A 49 -0.201 15.465 -3.476 1.00 0.68 H new ATOM 0 HB3 PHE A 49 0.215 13.787 -3.764 1.00 0.68 H new ATOM 0 HD1 PHE A 49 -2.425 16.370 -4.393 1.00 1.54 H new ATOM 0 HD2 PHE A 49 -0.863 12.511 -5.468 1.00 2.05 H new ATOM 0 HE1 PHE A 49 -3.889 16.339 -6.395 1.00 1.52 H new ATOM 0 HE2 PHE A 49 -2.286 12.499 -7.498 1.00 2.15 H new ATOM 0 HZ PHE A 49 -3.795 14.418 -7.977 1.00 0.89 H new ATOM 747 N MET A 50 -1.731 16.335 -1.462 1.00 0.81 N ATOM 748 CA MET A 50 -2.488 17.560 -1.229 1.00 0.87 C ATOM 749 C MET A 50 -2.366 18.481 -2.453 1.00 0.83 C ATOM 750 O MET A 50 -1.312 18.530 -3.083 1.00 0.86 O ATOM 751 CB MET A 50 -1.958 18.207 0.055 1.00 1.07 C ATOM 752 CG MET A 50 -2.864 19.368 0.446 1.00 1.78 C ATOM 753 SD MET A 50 -2.454 20.180 2.010 1.00 2.18 S ATOM 754 CE MET A 50 -3.065 18.943 3.185 1.00 3.94 C ATOM 0 H MET A 50 -0.727 16.458 -1.334 1.00 0.81 H new ATOM 0 HA MET A 50 -3.550 17.355 -1.096 1.00 0.87 H new ATOM 0 HB2 MET A 50 -1.923 17.471 0.859 1.00 1.07 H new ATOM 0 HB3 MET A 50 -0.939 18.562 -0.097 1.00 1.07 H new ATOM 0 HG2 MET A 50 -2.835 20.113 -0.349 1.00 1.78 H new ATOM 0 HG3 MET A 50 -3.889 19.003 0.504 1.00 1.78 H new ATOM 0 HE1 MET A 50 -3.742 19.418 3.894 1.00 3.94 H new ATOM 0 HE2 MET A 50 -3.597 18.160 2.645 1.00 3.94 H new ATOM 0 HE3 MET A 50 -2.224 18.506 3.723 1.00 3.94 H new ATOM 764 N ARG A 51 -3.437 19.200 -2.805 1.00 0.83 N ATOM 765 CA ARG A 51 -3.546 20.000 -4.035 1.00 0.86 C ATOM 766 C ARG A 51 -4.472 21.209 -3.836 1.00 0.88 C ATOM 767 O ARG A 51 -5.336 21.209 -2.956 1.00 0.92 O ATOM 768 CB ARG A 51 -4.051 19.103 -5.187 1.00 1.01 C ATOM 769 CG ARG A 51 -3.290 19.288 -6.515 1.00 1.12 C ATOM 770 CD ARG A 51 -4.033 20.161 -7.529 1.00 1.60 C ATOM 771 NE ARG A 51 -3.257 20.284 -8.775 1.00 2.62 N ATOM 772 CZ ARG A 51 -3.220 21.322 -9.607 1.00 3.41 C ATOM 773 NH1 ARG A 51 -3.887 22.435 -9.386 1.00 3.76 N ATOM 774 NH2 ARG A 51 -2.487 21.253 -10.701 1.00 4.49 N ATOM 0 H ARG A 51 -4.277 19.244 -2.228 1.00 0.83 H new ATOM 0 HA ARG A 51 -2.560 20.389 -4.288 1.00 0.86 H new ATOM 0 HB2 ARG A 51 -3.974 18.060 -4.880 1.00 1.01 H new ATOM 0 HB3 ARG A 51 -5.108 19.309 -5.356 1.00 1.01 H new ATOM 0 HG2 ARG A 51 -2.317 19.734 -6.308 1.00 1.12 H new ATOM 0 HG3 ARG A 51 -3.104 18.309 -6.957 1.00 1.12 H new ATOM 0 HD2 ARG A 51 -5.010 19.727 -7.744 1.00 1.60 H new ATOM 0 HD3 ARG A 51 -4.210 21.150 -7.105 1.00 1.60 H new ATOM 0 HE ARG A 51 -2.682 19.481 -9.029 1.00 2.62 H new ATOM 0 HH11 ARG A 51 -4.462 22.527 -8.549 1.00 3.76 H new ATOM 0 HH12 ARG A 51 -3.829 23.205 -10.052 1.00 3.76 H new ATOM 0 HH21 ARG A 51 -1.953 20.408 -10.905 1.00 4.49 H new ATOM 0 HH22 ARG A 51 -2.454 22.045 -11.343 1.00 4.49 H new ATOM 788 N GLU A 52 -4.309 22.235 -4.667 1.00 0.99 N ATOM 789 CA GLU A 52 -5.114 23.453 -4.666 1.00 1.01 C ATOM 790 C GLU A 52 -5.547 23.935 -6.060 1.00 1.02 C ATOM 791 O GLU A 52 -5.175 23.331 -7.067 1.00 1.07 O ATOM 792 CB GLU A 52 -4.318 24.534 -3.923 1.00 1.42 C ATOM 793 CG GLU A 52 -5.149 25.113 -2.785 1.00 2.27 C ATOM 794 CD GLU A 52 -5.515 26.556 -3.007 1.00 1.42 C ATOM 795 OE1 GLU A 52 -6.138 26.802 -4.057 1.00 2.62 O ATOM 796 OE2 GLU A 52 -5.276 27.361 -2.083 1.00 2.07 O ATOM 0 H GLU A 52 -3.586 22.241 -5.386 1.00 0.99 H new ATOM 0 HA GLU A 52 -6.055 23.234 -4.161 1.00 1.01 H new ATOM 0 HB2 GLU A 52 -3.395 24.109 -3.529 1.00 1.42 H new ATOM 0 HB3 GLU A 52 -4.034 25.327 -4.615 1.00 1.42 H new ATOM 0 HG2 GLU A 52 -6.060 24.525 -2.670 1.00 2.27 H new ATOM 0 HG3 GLU A 52 -4.592 25.023 -1.852 1.00 2.27 H new ATOM 803 N VAL A 53 -6.347 25.006 -6.063 1.00 1.52 N ATOM 804 CA VAL A 53 -7.208 25.598 -7.101 1.00 1.75 C ATOM 805 C VAL A 53 -8.246 26.484 -6.375 1.00 1.59 C ATOM 806 O VAL A 53 -8.917 26.010 -5.465 1.00 1.54 O ATOM 807 CB VAL A 53 -7.863 24.547 -8.044 1.00 2.11 C ATOM 808 CG1 VAL A 53 -8.671 23.446 -7.334 1.00 1.93 C ATOM 809 CG2 VAL A 53 -8.749 25.217 -9.102 1.00 3.72 C ATOM 0 H VAL A 53 -6.417 25.562 -5.210 1.00 1.52 H new ATOM 0 HA VAL A 53 -6.602 26.199 -7.779 1.00 1.75 H new ATOM 0 HB VAL A 53 -7.013 24.053 -8.514 1.00 2.11 H new ATOM 0 HG11 VAL A 53 -9.087 22.764 -8.076 1.00 1.93 H new ATOM 0 HG12 VAL A 53 -8.018 22.893 -6.659 1.00 1.93 H new ATOM 0 HG13 VAL A 53 -9.482 23.900 -6.764 1.00 1.93 H new ATOM 0 HG21 VAL A 53 -9.190 24.454 -9.743 1.00 3.72 H new ATOM 0 HG22 VAL A 53 -9.542 25.780 -8.609 1.00 3.72 H new ATOM 0 HG23 VAL A 53 -8.145 25.894 -9.706 1.00 3.72 H new ATOM 819 N GLU A 54 -8.328 27.778 -6.719 1.00 1.98 N ATOM 820 CA GLU A 54 -9.299 28.775 -6.202 1.00 2.03 C ATOM 821 C GLU A 54 -9.217 29.130 -4.698 1.00 1.97 C ATOM 822 O GLU A 54 -10.108 29.793 -4.163 1.00 2.08 O ATOM 823 CB GLU A 54 -10.747 28.375 -6.531 1.00 1.93 C ATOM 824 CG GLU A 54 -11.143 28.282 -8.007 1.00 2.41 C ATOM 825 CD GLU A 54 -12.568 27.740 -8.037 1.00 2.55 C ATOM 826 OE1 GLU A 54 -12.736 26.500 -7.981 1.00 2.94 O ATOM 827 OE2 GLU A 54 -13.521 28.529 -7.861 1.00 3.15 O ATOM 0 H GLU A 54 -7.689 28.186 -7.401 1.00 1.98 H new ATOM 0 HA GLU A 54 -8.997 29.680 -6.730 1.00 2.03 H new ATOM 0 HB2 GLU A 54 -10.940 27.406 -6.071 1.00 1.93 H new ATOM 0 HB3 GLU A 54 -11.411 29.094 -6.051 1.00 1.93 H new ATOM 0 HG2 GLU A 54 -11.089 29.260 -8.486 1.00 2.41 H new ATOM 0 HG3 GLU A 54 -10.465 27.623 -8.550 1.00 2.41 H new ATOM 834 N GLY A 55 -8.177 28.693 -3.992 1.00 1.99 N ATOM 835 CA GLY A 55 -8.069 28.800 -2.529 1.00 2.20 C ATOM 836 C GLY A 55 -8.539 27.540 -1.793 1.00 1.95 C ATOM 837 O GLY A 55 -8.615 27.542 -0.561 1.00 2.37 O ATOM 0 H GLY A 55 -7.368 28.246 -4.423 1.00 1.99 H new ATOM 0 HA2 GLY A 55 -7.032 29.003 -2.262 1.00 2.20 H new ATOM 0 HA3 GLY A 55 -8.658 29.652 -2.189 1.00 2.20 H new ATOM 841 N LYS A 56 -8.842 26.456 -2.515 1.00 1.51 N ATOM 842 CA LYS A 56 -9.630 25.305 -2.062 1.00 1.56 C ATOM 843 C LYS A 56 -8.721 24.076 -1.972 1.00 1.41 C ATOM 844 O LYS A 56 -8.348 23.459 -2.967 1.00 1.29 O ATOM 845 CB LYS A 56 -10.818 25.036 -3.014 1.00 1.71 C ATOM 846 CG LYS A 56 -11.736 26.246 -3.259 1.00 1.92 C ATOM 847 CD LYS A 56 -12.788 25.910 -4.327 1.00 2.50 C ATOM 848 CE LYS A 56 -13.598 27.159 -4.698 1.00 2.45 C ATOM 849 NZ LYS A 56 -14.427 26.928 -5.904 1.00 2.86 N ATOM 0 H LYS A 56 -8.528 26.353 -3.480 1.00 1.51 H new ATOM 0 HA LYS A 56 -10.042 25.523 -1.077 1.00 1.56 H new ATOM 0 HB2 LYS A 56 -10.427 24.695 -3.972 1.00 1.71 H new ATOM 0 HB3 LYS A 56 -11.416 24.221 -2.605 1.00 1.71 H new ATOM 0 HG2 LYS A 56 -12.229 26.531 -2.330 1.00 1.92 H new ATOM 0 HG3 LYS A 56 -11.143 27.102 -3.580 1.00 1.92 H new ATOM 0 HD2 LYS A 56 -12.298 25.511 -5.215 1.00 2.50 H new ATOM 0 HD3 LYS A 56 -13.456 25.133 -3.955 1.00 2.50 H new ATOM 0 HE2 LYS A 56 -14.239 27.440 -3.862 1.00 2.45 H new ATOM 0 HE3 LYS A 56 -12.921 27.994 -4.875 1.00 2.45 H new ATOM 0 HZ1 LYS A 56 -14.505 27.812 -6.446 1.00 2.86 H new ATOM 0 HZ2 LYS A 56 -13.983 26.197 -6.496 1.00 2.86 H new ATOM 0 HZ3 LYS A 56 -15.376 26.612 -5.618 1.00 2.86 H new ATOM 863 N LYS A 57 -8.294 23.745 -0.755 1.00 1.44 N ATOM 864 CA LYS A 57 -7.304 22.688 -0.522 1.00 1.29 C ATOM 865 C LYS A 57 -8.005 21.320 -0.596 1.00 1.28 C ATOM 866 O LYS A 57 -8.851 21.013 0.237 1.00 1.52 O ATOM 867 CB LYS A 57 -6.607 22.899 0.835 1.00 1.46 C ATOM 868 CG LYS A 57 -5.694 24.138 0.990 1.00 1.73 C ATOM 869 CD LYS A 57 -6.352 25.501 0.707 1.00 2.43 C ATOM 870 CE LYS A 57 -5.466 26.685 1.108 1.00 3.10 C ATOM 871 NZ LYS A 57 -5.941 27.933 0.459 1.00 4.05 N ATOM 0 H LYS A 57 -8.622 24.199 0.098 1.00 1.44 H new ATOM 0 HA LYS A 57 -6.532 22.724 -1.290 1.00 1.29 H new ATOM 0 HB2 LYS A 57 -7.378 22.953 1.603 1.00 1.46 H new ATOM 0 HB3 LYS A 57 -6.008 22.013 1.046 1.00 1.46 H new ATOM 0 HG2 LYS A 57 -5.302 24.150 2.007 1.00 1.73 H new ATOM 0 HG3 LYS A 57 -4.841 24.022 0.321 1.00 1.73 H new ATOM 0 HD2 LYS A 57 -6.586 25.572 -0.355 1.00 2.43 H new ATOM 0 HD3 LYS A 57 -7.297 25.562 1.247 1.00 2.43 H new ATOM 0 HE2 LYS A 57 -5.477 26.805 2.191 1.00 3.10 H new ATOM 0 HE3 LYS A 57 -4.433 26.488 0.819 1.00 3.10 H new ATOM 0 HZ1 LYS A 57 -5.749 28.743 1.082 1.00 4.05 H new ATOM 0 HZ2 LYS A 57 -5.443 28.065 -0.445 1.00 4.05 H new ATOM 0 HZ3 LYS A 57 -6.964 27.866 0.284 1.00 4.05 H new ATOM 885 N VAL A 58 -7.653 20.518 -1.594 1.00 1.12 N ATOM 886 CA VAL A 58 -8.277 19.229 -1.934 1.00 1.13 C ATOM 887 C VAL A 58 -7.188 18.160 -2.008 1.00 1.08 C ATOM 888 O VAL A 58 -6.142 18.375 -2.614 1.00 1.43 O ATOM 889 CB VAL A 58 -9.046 19.328 -3.276 1.00 1.13 C ATOM 890 CG1 VAL A 58 -9.577 17.965 -3.756 1.00 2.69 C ATOM 891 CG2 VAL A 58 -10.241 20.293 -3.154 1.00 1.92 C ATOM 0 H VAL A 58 -6.887 20.754 -2.224 1.00 1.12 H new ATOM 0 HA VAL A 58 -8.999 18.959 -1.164 1.00 1.13 H new ATOM 0 HB VAL A 58 -8.327 19.700 -4.006 1.00 1.13 H new ATOM 0 HG11 VAL A 58 -10.107 18.093 -4.700 1.00 2.69 H new ATOM 0 HG12 VAL A 58 -8.742 17.279 -3.899 1.00 2.69 H new ATOM 0 HG13 VAL A 58 -10.258 17.557 -3.010 1.00 2.69 H new ATOM 0 HG21 VAL A 58 -10.765 20.346 -4.108 1.00 1.92 H new ATOM 0 HG22 VAL A 58 -10.924 19.932 -2.385 1.00 1.92 H new ATOM 0 HG23 VAL A 58 -9.881 21.285 -2.882 1.00 1.92 H new ATOM 901 N MET A 59 -7.429 17.006 -1.386 1.00 0.90 N ATOM 902 CA MET A 59 -6.528 15.845 -1.437 1.00 0.87 C ATOM 903 C MET A 59 -6.856 14.958 -2.642 1.00 0.89 C ATOM 904 O MET A 59 -8.014 14.598 -2.842 1.00 1.36 O ATOM 905 CB MET A 59 -6.597 15.047 -0.128 1.00 0.92 C ATOM 906 CG MET A 59 -6.040 15.873 1.037 1.00 0.94 C ATOM 907 SD MET A 59 -6.151 15.058 2.648 1.00 2.14 S ATOM 908 CE MET A 59 -7.813 15.585 3.133 1.00 3.24 C ATOM 0 H MET A 59 -8.265 16.845 -0.824 1.00 0.90 H new ATOM 0 HA MET A 59 -5.507 16.208 -1.555 1.00 0.87 H new ATOM 0 HB2 MET A 59 -7.630 14.766 0.079 1.00 0.92 H new ATOM 0 HB3 MET A 59 -6.029 14.122 -0.229 1.00 0.92 H new ATOM 0 HG2 MET A 59 -4.995 16.108 0.833 1.00 0.94 H new ATOM 0 HG3 MET A 59 -6.577 16.820 1.085 1.00 0.94 H new ATOM 0 HE1 MET A 59 -8.054 15.172 4.112 1.00 3.24 H new ATOM 0 HE2 MET A 59 -7.851 16.673 3.179 1.00 3.24 H new ATOM 0 HE3 MET A 59 -8.536 15.227 2.400 1.00 3.24 H new ATOM 918 N GLY A 60 -5.845 14.636 -3.452 1.00 0.58 N ATOM 919 CA GLY A 60 -5.978 13.882 -4.704 1.00 0.57 C ATOM 920 C GLY A 60 -5.204 12.569 -4.683 1.00 0.57 C ATOM 921 O GLY A 60 -4.537 12.248 -3.706 1.00 0.63 O ATOM 0 H GLY A 60 -4.881 14.900 -3.250 1.00 0.58 H new ATOM 0 HA2 GLY A 60 -7.032 13.675 -4.889 1.00 0.57 H new ATOM 0 HA3 GLY A 60 -5.623 14.495 -5.532 1.00 0.57 H new ATOM 925 N MET A 61 -5.308 11.796 -5.766 1.00 0.60 N ATOM 926 CA MET A 61 -4.768 10.442 -5.874 1.00 0.61 C ATOM 927 C MET A 61 -4.548 10.029 -7.327 1.00 0.63 C ATOM 928 O MET A 61 -5.398 10.255 -8.197 1.00 0.73 O ATOM 929 CB MET A 61 -5.746 9.496 -5.168 1.00 0.66 C ATOM 930 CG MET A 61 -5.449 8.005 -5.354 1.00 0.62 C ATOM 931 SD MET A 61 -6.752 6.856 -4.807 1.00 0.54 S ATOM 932 CE MET A 61 -7.368 7.705 -3.334 1.00 0.62 C ATOM 0 H MET A 61 -5.783 12.104 -6.614 1.00 0.60 H new ATOM 0 HA MET A 61 -3.787 10.398 -5.400 1.00 0.61 H new ATOM 0 HB2 MET A 61 -5.742 9.722 -4.102 1.00 0.66 H new ATOM 0 HB3 MET A 61 -6.753 9.699 -5.533 1.00 0.66 H new ATOM 0 HG2 MET A 61 -5.252 7.823 -6.411 1.00 0.62 H new ATOM 0 HG3 MET A 61 -4.533 7.767 -4.814 1.00 0.62 H new ATOM 0 HE1 MET A 61 -8.001 7.027 -2.761 1.00 0.62 H new ATOM 0 HE2 MET A 61 -6.526 8.023 -2.719 1.00 0.62 H new ATOM 0 HE3 MET A 61 -7.949 8.578 -3.633 1.00 0.62 H new ATOM 942 N ARG A 62 -3.412 9.379 -7.586 1.00 0.61 N ATOM 943 CA ARG A 62 -2.956 8.938 -8.910 1.00 0.65 C ATOM 944 C ARG A 62 -2.160 7.622 -8.811 1.00 0.63 C ATOM 945 O ARG A 62 -1.527 7.391 -7.782 1.00 0.62 O ATOM 946 CB ARG A 62 -2.065 10.040 -9.516 1.00 0.75 C ATOM 947 CG ARG A 62 -2.797 11.316 -9.968 1.00 1.41 C ATOM 948 CD ARG A 62 -3.624 11.174 -11.258 1.00 2.83 C ATOM 949 NE ARG A 62 -4.927 10.545 -10.982 1.00 4.86 N ATOM 950 CZ ARG A 62 -5.836 10.124 -11.855 1.00 6.72 C ATOM 951 NH1 ARG A 62 -5.709 10.306 -13.155 1.00 6.97 N ATOM 952 NH2 ARG A 62 -6.902 9.494 -11.406 1.00 8.49 N ATOM 0 H ARG A 62 -2.754 9.133 -6.847 1.00 0.61 H new ATOM 0 HA ARG A 62 -3.824 8.759 -9.544 1.00 0.65 H new ATOM 0 HB2 ARG A 62 -1.311 10.317 -8.780 1.00 0.75 H new ATOM 0 HB3 ARG A 62 -1.536 9.624 -10.373 1.00 0.75 H new ATOM 0 HG2 ARG A 62 -3.459 11.640 -9.165 1.00 1.41 H new ATOM 0 HG3 ARG A 62 -2.061 12.106 -10.113 1.00 1.41 H new ATOM 0 HD2 ARG A 62 -3.778 12.156 -11.706 1.00 2.83 H new ATOM 0 HD3 ARG A 62 -3.073 10.575 -11.983 1.00 2.83 H new ATOM 0 HE ARG A 62 -5.161 10.417 -9.998 1.00 4.86 H new ATOM 0 HH11 ARG A 62 -4.889 10.786 -13.525 1.00 6.97 H new ATOM 0 HH12 ARG A 62 -6.431 9.967 -13.790 1.00 6.97 H new ATOM 0 HH21 ARG A 62 -7.018 9.337 -10.405 1.00 8.49 H new ATOM 0 HH22 ARG A 62 -7.612 9.163 -12.060 1.00 8.49 H new ATOM 966 N PRO A 63 -2.181 6.761 -9.848 1.00 0.66 N ATOM 967 CA PRO A 63 -1.293 5.611 -9.924 1.00 0.66 C ATOM 968 C PRO A 63 0.135 6.068 -10.226 1.00 0.69 C ATOM 969 O PRO A 63 0.321 7.110 -10.851 1.00 0.75 O ATOM 970 CB PRO A 63 -1.865 4.722 -11.025 1.00 0.69 C ATOM 971 CG PRO A 63 -2.478 5.739 -11.988 1.00 0.72 C ATOM 972 CD PRO A 63 -2.994 6.840 -11.056 1.00 0.70 C ATOM 0 HA PRO A 63 -1.237 5.061 -8.984 1.00 0.66 H new ATOM 0 HB2 PRO A 63 -1.091 4.123 -11.506 1.00 0.69 H new ATOM 0 HB3 PRO A 63 -2.611 4.028 -10.639 1.00 0.69 H new ATOM 0 HG2 PRO A 63 -1.740 6.122 -12.693 1.00 0.72 H new ATOM 0 HG3 PRO A 63 -3.283 5.300 -12.577 1.00 0.72 H new ATOM 0 HD2 PRO A 63 -2.903 7.821 -11.523 1.00 0.70 H new ATOM 0 HD3 PRO A 63 -4.049 6.693 -10.826 1.00 0.70 H new ATOM 980 N VAL A 64 1.122 5.288 -9.773 1.00 0.66 N ATOM 981 CA VAL A 64 2.565 5.592 -9.873 1.00 0.63 C ATOM 982 C VAL A 64 3.356 4.339 -10.296 1.00 0.59 C ATOM 983 O VAL A 64 2.866 3.228 -10.076 1.00 0.61 O ATOM 984 CB VAL A 64 3.120 6.189 -8.551 1.00 0.62 C ATOM 985 CG1 VAL A 64 2.419 7.508 -8.210 1.00 0.76 C ATOM 986 CG2 VAL A 64 3.028 5.233 -7.353 1.00 0.75 C ATOM 0 H VAL A 64 0.939 4.397 -9.311 1.00 0.66 H new ATOM 0 HA VAL A 64 2.691 6.352 -10.644 1.00 0.63 H new ATOM 0 HB VAL A 64 4.180 6.366 -8.735 1.00 0.62 H new ATOM 0 HG11 VAL A 64 2.825 7.906 -7.280 1.00 0.76 H new ATOM 0 HG12 VAL A 64 2.583 8.226 -9.014 1.00 0.76 H new ATOM 0 HG13 VAL A 64 1.350 7.332 -8.093 1.00 0.76 H new ATOM 0 HG21 VAL A 64 3.435 5.720 -6.467 1.00 0.75 H new ATOM 0 HG22 VAL A 64 1.985 4.970 -7.176 1.00 0.75 H new ATOM 0 HG23 VAL A 64 3.599 4.329 -7.564 1.00 0.75 H new ATOM 996 N PRO A 65 4.544 4.474 -10.929 1.00 0.58 N ATOM 997 CA PRO A 65 5.222 3.367 -11.606 1.00 0.60 C ATOM 998 C PRO A 65 5.994 2.457 -10.648 1.00 0.59 C ATOM 999 O PRO A 65 6.183 1.287 -10.967 1.00 0.63 O ATOM 1000 CB PRO A 65 6.145 4.034 -12.627 1.00 0.63 C ATOM 1001 CG PRO A 65 6.536 5.341 -11.941 1.00 0.61 C ATOM 1002 CD PRO A 65 5.273 5.716 -11.169 1.00 0.59 C ATOM 0 HA PRO A 65 4.501 2.699 -12.077 1.00 0.60 H new ATOM 0 HB2 PRO A 65 7.017 3.417 -12.845 1.00 0.63 H new ATOM 0 HB3 PRO A 65 5.636 4.213 -13.574 1.00 0.63 H new ATOM 0 HG2 PRO A 65 7.390 5.208 -11.277 1.00 0.61 H new ATOM 0 HG3 PRO A 65 6.810 6.110 -12.664 1.00 0.61 H new ATOM 0 HD2 PRO A 65 5.525 6.205 -10.228 1.00 0.59 H new ATOM 0 HD3 PRO A 65 4.665 6.418 -11.740 1.00 0.59 H new ATOM 1010 N PHE A 66 6.423 2.986 -9.496 1.00 0.55 N ATOM 1011 CA PHE A 66 7.167 2.283 -8.445 1.00 0.54 C ATOM 1012 C PHE A 66 7.441 3.197 -7.246 1.00 0.53 C ATOM 1013 O PHE A 66 7.435 4.423 -7.370 1.00 0.57 O ATOM 1014 CB PHE A 66 8.499 1.706 -8.966 1.00 0.54 C ATOM 1015 CG PHE A 66 9.478 2.762 -9.409 1.00 0.53 C ATOM 1016 CD1 PHE A 66 9.465 3.210 -10.738 1.00 1.97 C ATOM 1017 CD2 PHE A 66 10.336 3.353 -8.467 1.00 1.62 C ATOM 1018 CE1 PHE A 66 10.310 4.267 -11.122 1.00 1.96 C ATOM 1019 CE2 PHE A 66 11.151 4.430 -8.835 1.00 1.65 C ATOM 1020 CZ PHE A 66 11.147 4.884 -10.169 1.00 0.56 C ATOM 0 H PHE A 66 6.252 3.964 -9.260 1.00 0.55 H new ATOM 0 HA PHE A 66 6.535 1.455 -8.124 1.00 0.54 H new ATOM 0 HB2 PHE A 66 8.957 1.104 -8.181 1.00 0.54 H new ATOM 0 HB3 PHE A 66 8.294 1.038 -9.802 1.00 0.54 H new ATOM 0 HD1 PHE A 66 8.811 2.747 -11.462 1.00 1.97 H new ATOM 0 HD2 PHE A 66 10.367 2.975 -7.456 1.00 1.62 H new ATOM 0 HE1 PHE A 66 10.318 4.606 -12.147 1.00 1.96 H new ATOM 0 HE2 PHE A 66 11.780 4.911 -8.100 1.00 1.65 H new ATOM 0 HZ PHE A 66 11.785 5.705 -10.462 1.00 0.56 H new ATOM 1030 N LEU A 67 7.761 2.579 -6.106 1.00 0.50 N ATOM 1031 CA LEU A 67 8.385 3.213 -4.943 1.00 0.50 C ATOM 1032 C LEU A 67 9.839 2.739 -4.816 1.00 0.51 C ATOM 1033 O LEU A 67 10.167 1.629 -5.234 1.00 0.52 O ATOM 1034 CB LEU A 67 7.623 2.855 -3.648 1.00 0.55 C ATOM 1035 CG LEU A 67 6.102 3.105 -3.614 1.00 0.56 C ATOM 1036 CD1 LEU A 67 5.609 3.107 -2.161 1.00 0.63 C ATOM 1037 CD2 LEU A 67 5.645 4.415 -4.265 1.00 0.71 C ATOM 0 H LEU A 67 7.585 1.584 -5.963 1.00 0.50 H new ATOM 0 HA LEU A 67 8.354 4.293 -5.084 1.00 0.50 H new ATOM 0 HB2 LEU A 67 7.793 1.798 -3.441 1.00 0.55 H new ATOM 0 HB3 LEU A 67 8.073 3.417 -2.829 1.00 0.55 H new ATOM 0 HG LEU A 67 5.672 2.292 -4.200 1.00 0.56 H new ATOM 0 HD11 LEU A 67 4.534 3.284 -2.142 1.00 0.63 H new ATOM 0 HD12 LEU A 67 5.826 2.143 -1.702 1.00 0.63 H new ATOM 0 HD13 LEU A 67 6.116 3.896 -1.606 1.00 0.63 H new ATOM 0 HD21 LEU A 67 4.561 4.499 -4.191 1.00 0.71 H new ATOM 0 HD22 LEU A 67 6.111 5.257 -3.753 1.00 0.71 H new ATOM 0 HD23 LEU A 67 5.938 4.421 -5.315 1.00 0.71 H new ATOM 1049 N GLU A 68 10.693 3.553 -4.202 1.00 0.53 N ATOM 1050 CA GLU A 68 12.084 3.199 -3.892 1.00 0.55 C ATOM 1051 C GLU A 68 12.249 2.911 -2.394 1.00 0.75 C ATOM 1052 O GLU A 68 11.538 3.499 -1.580 1.00 1.03 O ATOM 1053 CB GLU A 68 13.002 4.364 -4.315 1.00 0.70 C ATOM 1054 CG GLU A 68 14.512 4.072 -4.220 1.00 0.70 C ATOM 1055 CD GLU A 68 15.029 3.137 -5.323 1.00 0.78 C ATOM 1056 OE1 GLU A 68 14.210 2.453 -5.977 1.00 1.86 O ATOM 1057 OE2 GLU A 68 16.252 3.120 -5.579 1.00 1.65 O ATOM 0 H GLU A 68 10.439 4.493 -3.899 1.00 0.53 H new ATOM 0 HA GLU A 68 12.357 2.297 -4.440 1.00 0.55 H new ATOM 0 HB2 GLU A 68 12.765 4.639 -5.343 1.00 0.70 H new ATOM 0 HB3 GLU A 68 12.775 5.230 -3.693 1.00 0.70 H new ATOM 0 HG2 GLU A 68 15.059 5.014 -4.268 1.00 0.70 H new ATOM 0 HG3 GLU A 68 14.727 3.627 -3.248 1.00 0.70 H new ATOM 1064 N VAL A 69 13.218 2.070 -2.019 1.00 0.75 N ATOM 1065 CA VAL A 69 13.716 1.977 -0.641 1.00 0.86 C ATOM 1066 C VAL A 69 15.254 1.874 -0.635 1.00 0.77 C ATOM 1067 O VAL A 69 15.798 0.961 -1.260 1.00 0.77 O ATOM 1068 CB VAL A 69 13.098 0.777 0.122 1.00 1.09 C ATOM 1069 CG1 VAL A 69 13.447 0.807 1.619 1.00 1.17 C ATOM 1070 CG2 VAL A 69 11.569 0.664 -0.013 1.00 1.46 C ATOM 0 H VAL A 69 13.682 1.431 -2.665 1.00 0.75 H new ATOM 0 HA VAL A 69 13.412 2.887 -0.123 1.00 0.86 H new ATOM 0 HB VAL A 69 13.544 -0.096 -0.355 1.00 1.09 H new ATOM 0 HG11 VAL A 69 12.994 -0.051 2.115 1.00 1.17 H new ATOM 0 HG12 VAL A 69 14.529 0.767 1.741 1.00 1.17 H new ATOM 0 HG13 VAL A 69 13.065 1.726 2.063 1.00 1.17 H new ATOM 0 HG21 VAL A 69 11.217 -0.201 0.550 1.00 1.46 H new ATOM 0 HG22 VAL A 69 11.101 1.567 0.379 1.00 1.46 H new ATOM 0 HG23 VAL A 69 11.304 0.545 -1.064 1.00 1.46 H new ATOM 1080 N PRO A 70 15.976 2.772 0.066 1.00 0.79 N ATOM 1081 CA PRO A 70 17.436 2.754 0.124 1.00 0.82 C ATOM 1082 C PRO A 70 17.946 1.541 0.923 1.00 0.90 C ATOM 1083 O PRO A 70 17.161 0.917 1.640 1.00 1.01 O ATOM 1084 CB PRO A 70 17.826 4.080 0.791 1.00 0.89 C ATOM 1085 CG PRO A 70 16.642 4.368 1.709 1.00 0.92 C ATOM 1086 CD PRO A 70 15.456 3.851 0.897 1.00 0.91 C ATOM 0 HA PRO A 70 17.884 2.658 -0.865 1.00 0.82 H new ATOM 0 HB2 PRO A 70 18.757 3.991 1.350 1.00 0.89 H new ATOM 0 HB3 PRO A 70 17.969 4.873 0.057 1.00 0.89 H new ATOM 0 HG2 PRO A 70 16.735 3.851 2.664 1.00 0.92 H new ATOM 0 HG3 PRO A 70 16.549 5.431 1.929 1.00 0.92 H new ATOM 0 HD2 PRO A 70 14.662 3.491 1.552 1.00 0.91 H new ATOM 0 HD3 PRO A 70 15.028 4.644 0.284 1.00 0.91 H new ATOM 1094 N PRO A 71 19.245 1.196 0.824 1.00 0.98 N ATOM 1095 CA PRO A 71 19.833 0.127 1.617 1.00 1.08 C ATOM 1096 C PRO A 71 19.771 0.399 3.116 1.00 1.08 C ATOM 1097 O PRO A 71 20.013 1.518 3.565 1.00 1.06 O ATOM 1098 CB PRO A 71 21.263 -0.030 1.116 1.00 1.23 C ATOM 1099 CG PRO A 71 21.590 1.275 0.410 1.00 1.22 C ATOM 1100 CD PRO A 71 20.228 1.753 -0.090 1.00 1.07 C ATOM 0 HA PRO A 71 19.269 -0.797 1.492 1.00 1.08 H new ATOM 0 HB2 PRO A 71 21.951 -0.213 1.942 1.00 1.23 H new ATOM 0 HB3 PRO A 71 21.350 -0.877 0.436 1.00 1.23 H new ATOM 0 HG2 PRO A 71 22.046 1.996 1.088 1.00 1.22 H new ATOM 0 HG3 PRO A 71 22.290 1.124 -0.412 1.00 1.22 H new ATOM 0 HD2 PRO A 71 20.177 2.842 -0.101 1.00 1.07 H new ATOM 0 HD3 PRO A 71 20.047 1.415 -1.110 1.00 1.07 H new ATOM 1108 N LYS A 72 19.455 -0.653 3.883 1.00 1.18 N ATOM 1109 CA LYS A 72 19.507 -0.681 5.357 1.00 1.34 C ATOM 1110 C LYS A 72 18.638 0.394 6.023 1.00 1.38 C ATOM 1111 O LYS A 72 18.975 0.977 7.054 1.00 1.99 O ATOM 1112 CB LYS A 72 20.964 -0.790 5.820 1.00 1.73 C ATOM 1113 CG LYS A 72 21.564 -2.017 5.111 1.00 2.03 C ATOM 1114 CD LYS A 72 22.545 -2.806 5.951 1.00 1.74 C ATOM 1115 CE LYS A 72 23.888 -2.080 6.058 1.00 2.09 C ATOM 1116 NZ LYS A 72 25.005 -3.040 6.199 1.00 2.95 N ATOM 0 H LYS A 72 19.145 -1.539 3.484 1.00 1.18 H new ATOM 0 HA LYS A 72 19.021 -1.585 5.724 1.00 1.34 H new ATOM 0 HB2 LYS A 72 21.519 0.113 5.566 1.00 1.73 H new ATOM 0 HB3 LYS A 72 21.018 -0.904 6.903 1.00 1.73 H new ATOM 0 HG2 LYS A 72 20.753 -2.678 4.805 1.00 2.03 H new ATOM 0 HG3 LYS A 72 22.066 -1.687 4.202 1.00 2.03 H new ATOM 0 HD2 LYS A 72 22.132 -2.962 6.948 1.00 1.74 H new ATOM 0 HD3 LYS A 72 22.695 -3.792 5.511 1.00 1.74 H new ATOM 0 HE2 LYS A 72 24.043 -1.465 5.172 1.00 2.09 H new ATOM 0 HE3 LYS A 72 23.873 -1.407 6.915 1.00 2.09 H new ATOM 0 HZ1 LYS A 72 25.895 -2.581 5.917 1.00 2.95 H new ATOM 0 HZ2 LYS A 72 25.074 -3.350 7.189 1.00 2.95 H new ATOM 0 HZ3 LYS A 72 24.833 -3.865 5.589 1.00 2.95 H new ATOM 1130 N GLY A 73 17.491 0.625 5.388 1.00 1.12 N ATOM 1131 CA GLY A 73 16.529 1.693 5.682 1.00 1.18 C ATOM 1132 C GLY A 73 15.066 1.241 5.750 1.00 1.02 C ATOM 1133 O GLY A 73 14.606 0.458 4.918 1.00 1.05 O ATOM 0 H GLY A 73 17.188 0.040 4.609 1.00 1.12 H new ATOM 0 HA2 GLY A 73 16.797 2.152 6.634 1.00 1.18 H new ATOM 0 HA3 GLY A 73 16.621 2.465 4.918 1.00 1.18 H new ATOM 1137 N ARG A 74 14.331 1.799 6.718 1.00 1.36 N ATOM 1138 CA ARG A 74 12.888 1.738 6.860 1.00 1.32 C ATOM 1139 C ARG A 74 12.224 2.876 6.075 1.00 1.64 C ATOM 1140 O ARG A 74 12.675 4.018 6.138 1.00 2.08 O ATOM 1141 CB ARG A 74 12.584 1.852 8.360 1.00 1.75 C ATOM 1142 CG ARG A 74 11.105 1.660 8.655 1.00 1.65 C ATOM 1143 CD ARG A 74 10.799 1.597 10.136 1.00 1.74 C ATOM 1144 NE ARG A 74 9.366 1.418 10.411 1.00 2.53 N ATOM 1145 CZ ARG A 74 8.748 0.405 11.000 1.00 3.16 C ATOM 1146 NH1 ARG A 74 9.356 -0.689 11.410 1.00 3.76 N ATOM 1147 NH2 ARG A 74 7.451 0.501 11.158 1.00 4.37 N ATOM 0 H ARG A 74 14.765 2.338 7.467 1.00 1.36 H new ATOM 0 HA ARG A 74 12.493 0.804 6.460 1.00 1.32 H new ATOM 0 HB2 ARG A 74 13.163 1.106 8.905 1.00 1.75 H new ATOM 0 HB3 ARG A 74 12.902 2.830 8.722 1.00 1.75 H new ATOM 0 HG2 ARG A 74 10.542 2.479 8.208 1.00 1.65 H new ATOM 0 HG3 ARG A 74 10.762 0.741 8.180 1.00 1.65 H new ATOM 0 HD2 ARG A 74 11.356 0.774 10.584 1.00 1.74 H new ATOM 0 HD3 ARG A 74 11.145 2.514 10.614 1.00 1.74 H new ATOM 0 HE ARG A 74 8.763 2.181 10.105 1.00 2.53 H new ATOM 0 HH11 ARG A 74 10.362 -0.792 11.280 1.00 3.76 H new ATOM 0 HH12 ARG A 74 8.820 -1.433 11.857 1.00 3.76 H new ATOM 0 HH21 ARG A 74 6.958 1.332 10.832 1.00 4.37 H new ATOM 0 HH22 ARG A 74 6.934 -0.256 11.607 1.00 4.37 H new ATOM 1161 N VAL A 75 11.128 2.563 5.393 1.00 1.63 N ATOM 1162 CA VAL A 75 10.277 3.471 4.593 1.00 2.12 C ATOM 1163 C VAL A 75 8.846 2.935 4.665 1.00 1.73 C ATOM 1164 O VAL A 75 8.669 1.725 4.686 1.00 1.81 O ATOM 1165 CB VAL A 75 10.749 3.541 3.115 1.00 2.76 C ATOM 1166 CG1 VAL A 75 9.773 4.337 2.227 1.00 3.26 C ATOM 1167 CG2 VAL A 75 12.133 4.204 2.988 1.00 3.27 C ATOM 0 H VAL A 75 10.777 1.606 5.376 1.00 1.63 H new ATOM 0 HA VAL A 75 10.339 4.483 4.994 1.00 2.12 H new ATOM 0 HB VAL A 75 10.793 2.505 2.779 1.00 2.76 H new ATOM 0 HG11 VAL A 75 10.147 4.358 1.203 1.00 3.26 H new ATOM 0 HG12 VAL A 75 8.793 3.861 2.246 1.00 3.26 H new ATOM 0 HG13 VAL A 75 9.688 5.357 2.603 1.00 3.26 H new ATOM 0 HG21 VAL A 75 12.427 4.234 1.939 1.00 3.27 H new ATOM 0 HG22 VAL A 75 12.087 5.220 3.381 1.00 3.27 H new ATOM 0 HG23 VAL A 75 12.865 3.629 3.554 1.00 3.27 H new ATOM 1177 N GLU A 76 7.809 3.775 4.734 1.00 1.57 N ATOM 1178 CA GLU A 76 6.450 3.287 4.987 1.00 1.18 C ATOM 1179 C GLU A 76 5.377 4.039 4.200 1.00 1.04 C ATOM 1180 O GLU A 76 5.490 5.248 3.965 1.00 1.18 O ATOM 1181 CB GLU A 76 6.145 3.360 6.486 1.00 1.35 C ATOM 1182 CG GLU A 76 7.165 2.592 7.330 1.00 2.03 C ATOM 1183 CD GLU A 76 6.640 2.304 8.721 1.00 2.95 C ATOM 1184 OE1 GLU A 76 5.829 1.369 8.852 1.00 4.26 O ATOM 1185 OE2 GLU A 76 7.156 2.912 9.678 1.00 3.51 O ATOM 0 H GLU A 76 7.883 4.786 4.620 1.00 1.57 H new ATOM 0 HA GLU A 76 6.419 2.254 4.642 1.00 1.18 H new ATOM 0 HB2 GLU A 76 6.131 4.404 6.800 1.00 1.35 H new ATOM 0 HB3 GLU A 76 5.149 2.958 6.671 1.00 1.35 H new ATOM 0 HG2 GLU A 76 7.415 1.654 6.834 1.00 2.03 H new ATOM 0 HG3 GLU A 76 8.086 3.170 7.402 1.00 2.03 H new ATOM 1192 N LEU A 77 4.322 3.303 3.841 1.00 0.91 N ATOM 1193 CA LEU A 77 3.104 3.772 3.174 1.00 0.92 C ATOM 1194 C LEU A 77 2.102 4.369 4.194 1.00 1.18 C ATOM 1195 O LEU A 77 2.288 4.239 5.401 1.00 2.58 O ATOM 1196 CB LEU A 77 2.537 2.583 2.358 1.00 0.79 C ATOM 1197 CG LEU A 77 3.394 2.202 1.119 1.00 0.87 C ATOM 1198 CD1 LEU A 77 4.449 1.126 1.420 1.00 0.91 C ATOM 1199 CD2 LEU A 77 2.511 1.663 -0.011 1.00 1.05 C ATOM 0 H LEU A 77 4.294 2.299 4.020 1.00 0.91 H new ATOM 0 HA LEU A 77 3.316 4.592 2.488 1.00 0.92 H new ATOM 0 HB2 LEU A 77 2.454 1.714 3.011 1.00 0.79 H new ATOM 0 HB3 LEU A 77 1.528 2.831 2.027 1.00 0.79 H new ATOM 0 HG LEU A 77 3.898 3.123 0.827 1.00 0.87 H new ATOM 0 HD11 LEU A 77 5.013 0.906 0.514 1.00 0.91 H new ATOM 0 HD12 LEU A 77 5.129 1.489 2.191 1.00 0.91 H new ATOM 0 HD13 LEU A 77 3.955 0.219 1.769 1.00 0.91 H new ATOM 0 HD21 LEU A 77 3.134 1.403 -0.867 1.00 1.05 H new ATOM 0 HD22 LEU A 77 1.980 0.776 0.334 1.00 1.05 H new ATOM 0 HD23 LEU A 77 1.790 2.426 -0.305 1.00 1.05 H new ATOM 1211 N LYS A 78 1.050 5.059 3.726 1.00 1.44 N ATOM 1212 CA LYS A 78 0.029 5.756 4.551 1.00 1.83 C ATOM 1213 C LYS A 78 -1.196 6.252 3.738 1.00 1.76 C ATOM 1214 O LYS A 78 -1.048 6.471 2.535 1.00 1.54 O ATOM 1215 CB LYS A 78 0.675 6.930 5.328 1.00 2.09 C ATOM 1216 CG LYS A 78 1.226 8.060 4.431 1.00 1.94 C ATOM 1217 CD LYS A 78 2.615 8.537 4.875 1.00 2.07 C ATOM 1218 CE LYS A 78 3.632 7.424 4.604 1.00 2.62 C ATOM 1219 NZ LYS A 78 5.022 7.793 4.956 1.00 2.92 N ATOM 0 H LYS A 78 0.873 5.155 2.726 1.00 1.44 H new ATOM 0 HA LYS A 78 -0.354 5.016 5.253 1.00 1.83 H new ATOM 0 HB2 LYS A 78 -0.065 7.351 6.009 1.00 2.09 H new ATOM 0 HB3 LYS A 78 1.487 6.541 5.942 1.00 2.09 H new ATOM 0 HG2 LYS A 78 1.278 7.709 3.400 1.00 1.94 H new ATOM 0 HG3 LYS A 78 0.534 8.902 4.446 1.00 1.94 H new ATOM 0 HD2 LYS A 78 2.893 9.442 4.335 1.00 2.07 H new ATOM 0 HD3 LYS A 78 2.606 8.789 5.935 1.00 2.07 H new ATOM 0 HE2 LYS A 78 3.346 6.537 5.169 1.00 2.62 H new ATOM 0 HE3 LYS A 78 3.592 7.156 3.548 1.00 2.62 H new ATOM 0 HZ1 LYS A 78 5.659 7.002 4.732 1.00 2.92 H new ATOM 0 HZ2 LYS A 78 5.307 8.632 4.411 1.00 2.92 H new ATOM 0 HZ3 LYS A 78 5.078 8.005 5.973 1.00 2.92 H new ATOM 1233 N PRO A 79 -2.379 6.491 4.356 1.00 2.16 N ATOM 1234 CA PRO A 79 -3.568 7.039 3.683 1.00 2.38 C ATOM 1235 C PRO A 79 -3.333 8.424 3.073 1.00 2.22 C ATOM 1236 O PRO A 79 -3.628 8.623 1.897 1.00 3.12 O ATOM 1237 CB PRO A 79 -4.691 7.048 4.731 1.00 2.92 C ATOM 1238 CG PRO A 79 -3.954 6.983 6.066 1.00 2.90 C ATOM 1239 CD PRO A 79 -2.722 6.147 5.729 1.00 2.63 C ATOM 0 HA PRO A 79 -3.834 6.418 2.827 1.00 2.38 H new ATOM 0 HB2 PRO A 79 -5.300 7.949 4.655 1.00 2.92 H new ATOM 0 HB3 PRO A 79 -5.362 6.198 4.604 1.00 2.92 H new ATOM 0 HG2 PRO A 79 -3.684 7.975 6.428 1.00 2.90 H new ATOM 0 HG3 PRO A 79 -4.561 6.515 6.841 1.00 2.90 H new ATOM 0 HD2 PRO A 79 -1.898 6.372 6.407 1.00 2.63 H new ATOM 0 HD3 PRO A 79 -2.933 5.082 5.825 1.00 2.63 H new ATOM 1247 N GLY A 80 -2.728 9.344 3.835 1.00 1.60 N ATOM 1248 CA GLY A 80 -2.291 10.666 3.367 1.00 1.43 C ATOM 1249 C GLY A 80 -0.997 10.631 2.545 1.00 1.06 C ATOM 1250 O GLY A 80 -0.163 11.519 2.691 1.00 1.54 O ATOM 0 H GLY A 80 -2.523 9.185 4.822 1.00 1.60 H new ATOM 0 HA2 GLY A 80 -3.083 11.108 2.763 1.00 1.43 H new ATOM 0 HA3 GLY A 80 -2.146 11.317 4.229 1.00 1.43 H new ATOM 1254 N GLY A 81 -0.801 9.584 1.735 1.00 0.93 N ATOM 1255 CA GLY A 81 0.271 9.475 0.745 1.00 0.72 C ATOM 1256 C GLY A 81 0.300 8.131 0.028 1.00 0.76 C ATOM 1257 O GLY A 81 -0.735 7.641 -0.415 1.00 1.61 O ATOM 0 H GLY A 81 -1.406 8.763 1.753 1.00 0.93 H new ATOM 0 HA2 GLY A 81 0.156 10.269 0.007 1.00 0.72 H new ATOM 0 HA3 GLY A 81 1.229 9.635 1.239 1.00 0.72 H new ATOM 1261 N TYR A 82 1.480 7.525 -0.106 1.00 0.74 N ATOM 1262 CA TYR A 82 1.632 6.346 -0.971 1.00 0.71 C ATOM 1263 C TYR A 82 0.952 5.120 -0.375 1.00 0.72 C ATOM 1264 O TYR A 82 1.018 4.875 0.828 1.00 0.83 O ATOM 1265 CB TYR A 82 3.106 6.039 -1.234 1.00 0.79 C ATOM 1266 CG TYR A 82 3.783 7.111 -2.052 1.00 0.78 C ATOM 1267 CD1 TYR A 82 3.677 7.064 -3.452 1.00 1.96 C ATOM 1268 CD2 TYR A 82 4.433 8.194 -1.434 1.00 1.68 C ATOM 1269 CE1 TYR A 82 4.195 8.108 -4.233 1.00 2.03 C ATOM 1270 CE2 TYR A 82 4.917 9.263 -2.214 1.00 1.69 C ATOM 1271 CZ TYR A 82 4.759 9.244 -3.620 1.00 0.96 C ATOM 1272 OH TYR A 82 5.077 10.339 -4.364 1.00 1.21 O ATOM 0 H TYR A 82 2.335 7.822 0.364 1.00 0.74 H new ATOM 0 HA TYR A 82 1.146 6.585 -1.917 1.00 0.71 H new ATOM 0 HB2 TYR A 82 3.626 5.930 -0.282 1.00 0.79 H new ATOM 0 HB3 TYR A 82 3.188 5.084 -1.753 1.00 0.79 H new ATOM 0 HD1 TYR A 82 3.196 6.222 -3.928 1.00 1.96 H new ATOM 0 HD2 TYR A 82 4.561 8.206 -0.362 1.00 1.68 H new ATOM 0 HE1 TYR A 82 4.161 8.040 -5.310 1.00 2.03 H new ATOM 0 HE2 TYR A 82 5.409 10.098 -1.738 1.00 1.69 H new ATOM 0 HH TYR A 82 4.440 10.429 -5.103 1.00 1.21 H new ATOM 1282 N HIS A 83 0.253 4.389 -1.236 1.00 0.62 N ATOM 1283 CA HIS A 83 -0.640 3.289 -0.867 1.00 0.56 C ATOM 1284 C HIS A 83 -0.957 2.370 -2.051 1.00 0.47 C ATOM 1285 O HIS A 83 -0.985 2.817 -3.198 1.00 0.50 O ATOM 1286 CB HIS A 83 -1.915 3.851 -0.246 1.00 0.65 C ATOM 1287 CG HIS A 83 -2.799 4.594 -1.204 1.00 0.62 C ATOM 1288 ND1 HIS A 83 -2.640 5.898 -1.615 1.00 0.69 N ATOM 1289 CD2 HIS A 83 -3.861 4.075 -1.890 1.00 0.52 C ATOM 1290 CE1 HIS A 83 -3.560 6.150 -2.551 1.00 0.62 C ATOM 1291 NE2 HIS A 83 -4.334 5.070 -2.742 1.00 0.53 N ATOM 0 H HIS A 83 0.291 4.548 -2.243 1.00 0.62 H new ATOM 0 HA HIS A 83 -0.125 2.670 -0.132 1.00 0.56 H new ATOM 0 HB2 HIS A 83 -2.483 3.030 0.191 1.00 0.65 H new ATOM 0 HB3 HIS A 83 -1.642 4.520 0.570 1.00 0.65 H new ATOM 0 HD1 HIS A 83 -1.943 6.556 -1.267 1.00 0.69 H new ATOM 0 HD2 HIS A 83 -4.260 3.076 -1.790 1.00 0.52 H new ATOM 0 HE1 HIS A 83 -3.666 7.087 -3.078 1.00 0.62 H new ATOM 1299 N PHE A 84 -1.297 1.114 -1.779 1.00 0.43 N ATOM 1300 CA PHE A 84 -1.854 0.233 -2.806 1.00 0.42 C ATOM 1301 C PHE A 84 -3.365 0.460 -2.919 1.00 0.44 C ATOM 1302 O PHE A 84 -4.019 0.694 -1.902 1.00 0.55 O ATOM 1303 CB PHE A 84 -1.575 -1.224 -2.429 1.00 0.46 C ATOM 1304 CG PHE A 84 -0.100 -1.520 -2.441 1.00 0.51 C ATOM 1305 CD1 PHE A 84 0.528 -1.824 -3.661 1.00 1.89 C ATOM 1306 CD2 PHE A 84 0.659 -1.381 -1.265 1.00 2.31 C ATOM 1307 CE1 PHE A 84 1.918 -2.003 -3.699 1.00 1.82 C ATOM 1308 CE2 PHE A 84 2.051 -1.537 -1.314 1.00 2.44 C ATOM 1309 CZ PHE A 84 2.677 -1.851 -2.526 1.00 0.82 C ATOM 0 H PHE A 84 -1.198 0.682 -0.860 1.00 0.43 H new ATOM 0 HA PHE A 84 -1.389 0.455 -3.767 1.00 0.42 H new ATOM 0 HB2 PHE A 84 -1.981 -1.430 -1.439 1.00 0.46 H new ATOM 0 HB3 PHE A 84 -2.087 -1.887 -3.127 1.00 0.46 H new ATOM 0 HD1 PHE A 84 -0.057 -1.919 -4.564 1.00 1.89 H new ATOM 0 HD2 PHE A 84 0.171 -1.155 -0.328 1.00 2.31 H new ATOM 0 HE1 PHE A 84 2.405 -2.257 -4.629 1.00 1.82 H new ATOM 0 HE2 PHE A 84 2.640 -1.415 -0.417 1.00 2.44 H new ATOM 0 HZ PHE A 84 3.749 -1.977 -2.560 1.00 0.82 H new ATOM 1319 N MET A 85 -3.933 0.331 -4.115 1.00 0.41 N ATOM 1320 CA MET A 85 -5.374 0.153 -4.343 1.00 0.41 C ATOM 1321 C MET A 85 -5.655 -1.326 -4.602 1.00 0.36 C ATOM 1322 O MET A 85 -4.908 -1.948 -5.355 1.00 0.41 O ATOM 1323 CB MET A 85 -5.845 0.987 -5.534 1.00 0.52 C ATOM 1324 CG MET A 85 -7.233 1.584 -5.264 1.00 0.63 C ATOM 1325 SD MET A 85 -7.258 2.898 -4.003 1.00 0.48 S ATOM 1326 CE MET A 85 -9.054 3.048 -3.767 1.00 0.57 C ATOM 0 H MET A 85 -3.393 0.347 -4.980 1.00 0.41 H new ATOM 0 HA MET A 85 -5.917 0.488 -3.460 1.00 0.41 H new ATOM 0 HB2 MET A 85 -5.131 1.787 -5.729 1.00 0.52 H new ATOM 0 HB3 MET A 85 -5.879 0.365 -6.429 1.00 0.52 H new ATOM 0 HG2 MET A 85 -7.630 1.985 -6.197 1.00 0.63 H new ATOM 0 HG3 MET A 85 -7.904 0.784 -4.950 1.00 0.63 H new ATOM 0 HE1 MET A 85 -9.260 3.815 -3.021 1.00 0.57 H new ATOM 0 HE2 MET A 85 -9.523 3.325 -4.711 1.00 0.57 H new ATOM 0 HE3 MET A 85 -9.457 2.094 -3.427 1.00 0.57 H new ATOM 1336 N LEU A 86 -6.709 -1.888 -4.011 1.00 0.39 N ATOM 1337 CA LEU A 86 -7.120 -3.287 -4.175 1.00 0.40 C ATOM 1338 C LEU A 86 -8.526 -3.330 -4.790 1.00 0.42 C ATOM 1339 O LEU A 86 -9.399 -2.571 -4.371 1.00 0.51 O ATOM 1340 CB LEU A 86 -7.157 -3.973 -2.796 1.00 0.43 C ATOM 1341 CG LEU A 86 -5.820 -4.402 -2.152 1.00 0.44 C ATOM 1342 CD1 LEU A 86 -4.825 -3.260 -1.892 1.00 0.46 C ATOM 1343 CD2 LEU A 86 -6.149 -5.057 -0.802 1.00 0.52 C ATOM 0 H LEU A 86 -7.322 -1.367 -3.384 1.00 0.39 H new ATOM 0 HA LEU A 86 -6.413 -3.802 -4.825 1.00 0.40 H new ATOM 0 HB2 LEU A 86 -7.658 -3.297 -2.103 1.00 0.43 H new ATOM 0 HB3 LEU A 86 -7.783 -4.861 -2.884 1.00 0.43 H new ATOM 0 HG LEU A 86 -5.334 -5.071 -2.862 1.00 0.44 H new ATOM 0 HD11 LEU A 86 -3.919 -3.663 -1.439 1.00 0.46 H new ATOM 0 HD12 LEU A 86 -4.574 -2.774 -2.835 1.00 0.46 H new ATOM 0 HD13 LEU A 86 -5.275 -2.532 -1.217 1.00 0.46 H new ATOM 0 HD21 LEU A 86 -5.226 -5.374 -0.317 1.00 0.52 H new ATOM 0 HD22 LEU A 86 -6.666 -4.339 -0.165 1.00 0.52 H new ATOM 0 HD23 LEU A 86 -6.789 -5.924 -0.965 1.00 0.52 H new ATOM 1355 N LEU A 87 -8.783 -4.255 -5.720 1.00 0.49 N ATOM 1356 CA LEU A 87 -10.126 -4.525 -6.252 1.00 0.71 C ATOM 1357 C LEU A 87 -10.340 -6.032 -6.445 1.00 0.69 C ATOM 1358 O LEU A 87 -9.410 -6.766 -6.785 1.00 0.62 O ATOM 1359 CB LEU A 87 -10.397 -3.774 -7.575 1.00 1.04 C ATOM 1360 CG LEU A 87 -10.158 -2.243 -7.581 1.00 0.97 C ATOM 1361 CD1 LEU A 87 -8.723 -1.868 -7.989 1.00 1.34 C ATOM 1362 CD2 LEU A 87 -11.131 -1.582 -8.565 1.00 1.75 C ATOM 0 H LEU A 87 -8.058 -4.844 -6.130 1.00 0.49 H new ATOM 0 HA LEU A 87 -10.838 -4.154 -5.515 1.00 0.71 H new ATOM 0 HB2 LEU A 87 -9.771 -4.217 -8.349 1.00 1.04 H new ATOM 0 HB3 LEU A 87 -11.433 -3.955 -7.861 1.00 1.04 H new ATOM 0 HG LEU A 87 -10.321 -1.890 -6.563 1.00 0.97 H new ATOM 0 HD11 LEU A 87 -8.613 -0.784 -7.976 1.00 1.34 H new ATOM 0 HD12 LEU A 87 -8.017 -2.313 -7.288 1.00 1.34 H new ATOM 0 HD13 LEU A 87 -8.521 -2.241 -8.993 1.00 1.34 H new ATOM 0 HD21 LEU A 87 -10.966 -0.505 -8.572 1.00 1.75 H new ATOM 0 HD22 LEU A 87 -10.964 -1.981 -9.565 1.00 1.75 H new ATOM 0 HD23 LEU A 87 -12.156 -1.790 -8.258 1.00 1.75 H new ATOM 1374 N GLY A 88 -11.578 -6.499 -6.248 1.00 0.82 N ATOM 1375 CA GLY A 88 -11.934 -7.918 -6.416 1.00 0.91 C ATOM 1376 C GLY A 88 -11.537 -8.778 -5.214 1.00 0.92 C ATOM 1377 O GLY A 88 -11.067 -9.901 -5.380 1.00 1.11 O ATOM 0 H GLY A 88 -12.361 -5.908 -5.968 1.00 0.82 H new ATOM 0 HA2 GLY A 88 -13.009 -8.001 -6.577 1.00 0.91 H new ATOM 0 HA3 GLY A 88 -11.447 -8.306 -7.311 1.00 0.91 H new ATOM 1381 N LEU A 89 -11.673 -8.209 -4.011 1.00 0.84 N ATOM 1382 CA LEU A 89 -11.427 -8.860 -2.720 1.00 0.90 C ATOM 1383 C LEU A 89 -12.150 -10.189 -2.506 1.00 1.07 C ATOM 1384 O LEU A 89 -13.250 -10.440 -2.994 1.00 1.27 O ATOM 1385 CB LEU A 89 -11.603 -7.884 -1.538 1.00 0.91 C ATOM 1386 CG LEU A 89 -12.772 -6.871 -1.613 1.00 0.83 C ATOM 1387 CD1 LEU A 89 -14.152 -7.544 -1.604 1.00 1.29 C ATOM 1388 CD2 LEU A 89 -12.674 -5.880 -0.448 1.00 1.21 C ATOM 0 H LEU A 89 -11.971 -7.239 -3.906 1.00 0.84 H new ATOM 0 HA LEU A 89 -10.376 -9.148 -2.756 1.00 0.90 H new ATOM 0 HB2 LEU A 89 -11.728 -8.475 -0.630 1.00 0.91 H new ATOM 0 HB3 LEU A 89 -10.677 -7.320 -1.427 1.00 0.91 H new ATOM 0 HG LEU A 89 -12.678 -6.350 -2.566 1.00 0.83 H new ATOM 0 HD11 LEU A 89 -14.929 -6.782 -1.658 1.00 1.29 H new ATOM 0 HD12 LEU A 89 -14.237 -8.211 -2.462 1.00 1.29 H new ATOM 0 HD13 LEU A 89 -14.271 -8.118 -0.685 1.00 1.29 H new ATOM 0 HD21 LEU A 89 -13.498 -5.169 -0.505 1.00 1.21 H new ATOM 0 HD22 LEU A 89 -12.727 -6.422 0.496 1.00 1.21 H new ATOM 0 HD23 LEU A 89 -11.727 -5.343 -0.506 1.00 1.21 H new ATOM 1400 N LYS A 90 -11.456 -11.064 -1.779 1.00 1.15 N ATOM 1401 CA LYS A 90 -11.827 -12.479 -1.638 1.00 1.26 C ATOM 1402 C LYS A 90 -12.355 -12.832 -0.236 1.00 1.39 C ATOM 1403 O LYS A 90 -13.144 -13.763 -0.077 1.00 1.42 O ATOM 1404 CB LYS A 90 -10.641 -13.357 -2.067 1.00 1.21 C ATOM 1405 CG LYS A 90 -10.066 -13.026 -3.463 1.00 1.17 C ATOM 1406 CD LYS A 90 -11.052 -13.204 -4.626 1.00 1.41 C ATOM 1407 CE LYS A 90 -10.331 -12.932 -5.954 1.00 1.33 C ATOM 1408 NZ LYS A 90 -11.186 -13.206 -7.130 1.00 1.99 N ATOM 0 H LYS A 90 -10.612 -10.812 -1.265 1.00 1.15 H new ATOM 0 HA LYS A 90 -12.669 -12.679 -2.300 1.00 1.26 H new ATOM 0 HB2 LYS A 90 -9.846 -13.257 -1.328 1.00 1.21 H new ATOM 0 HB3 LYS A 90 -10.956 -14.400 -2.057 1.00 1.21 H new ATOM 0 HG2 LYS A 90 -9.713 -11.995 -3.459 1.00 1.17 H new ATOM 0 HG3 LYS A 90 -9.197 -13.660 -3.642 1.00 1.17 H new ATOM 0 HD2 LYS A 90 -11.458 -14.215 -4.621 1.00 1.41 H new ATOM 0 HD3 LYS A 90 -11.894 -12.522 -4.511 1.00 1.41 H new ATOM 0 HE2 LYS A 90 -10.005 -11.892 -5.980 1.00 1.33 H new ATOM 0 HE3 LYS A 90 -9.434 -13.549 -6.010 1.00 1.33 H new ATOM 0 HZ1 LYS A 90 -10.603 -13.586 -7.902 1.00 1.99 H new ATOM 0 HZ2 LYS A 90 -11.917 -13.901 -6.874 1.00 1.99 H new ATOM 0 HZ3 LYS A 90 -11.641 -12.324 -7.442 1.00 1.99 H new ATOM 1422 N ARG A 91 -11.980 -12.034 0.767 1.00 1.56 N ATOM 1423 CA ARG A 91 -12.704 -11.916 2.038 1.00 1.63 C ATOM 1424 C ARG A 91 -13.619 -10.680 1.986 1.00 1.23 C ATOM 1425 O ARG A 91 -13.183 -9.654 1.454 1.00 1.08 O ATOM 1426 CB ARG A 91 -11.759 -11.749 3.234 1.00 1.91 C ATOM 1427 CG ARG A 91 -10.902 -12.985 3.560 1.00 2.34 C ATOM 1428 CD ARG A 91 -10.411 -12.815 4.999 1.00 3.41 C ATOM 1429 NE ARG A 91 -9.390 -13.789 5.414 1.00 3.98 N ATOM 1430 CZ ARG A 91 -9.119 -14.082 6.683 1.00 4.96 C ATOM 1431 NH1 ARG A 91 -9.745 -13.518 7.699 1.00 5.83 N ATOM 1432 NH2 ARG A 91 -8.198 -14.972 6.975 1.00 5.72 N ATOM 0 H ARG A 91 -11.151 -11.441 0.719 1.00 1.56 H new ATOM 0 HA ARG A 91 -13.274 -12.836 2.171 1.00 1.63 H new ATOM 0 HB2 ARG A 91 -11.096 -10.906 3.040 1.00 1.91 H new ATOM 0 HB3 ARG A 91 -12.351 -11.493 4.113 1.00 1.91 H new ATOM 0 HG2 ARG A 91 -11.487 -13.899 3.456 1.00 2.34 H new ATOM 0 HG3 ARG A 91 -10.061 -13.065 2.871 1.00 2.34 H new ATOM 0 HD2 ARG A 91 -10.005 -11.810 5.115 1.00 3.41 H new ATOM 0 HD3 ARG A 91 -11.265 -12.893 5.672 1.00 3.41 H new ATOM 0 HE ARG A 91 -8.859 -14.268 4.687 1.00 3.98 H new ATOM 0 HH11 ARG A 91 -10.473 -12.824 7.528 1.00 5.83 H new ATOM 0 HH12 ARG A 91 -9.501 -13.776 8.655 1.00 5.83 H new ATOM 0 HH21 ARG A 91 -7.687 -15.442 6.227 1.00 5.72 H new ATOM 0 HH22 ARG A 91 -7.994 -15.193 7.949 1.00 5.72 H new ATOM 1446 N PRO A 92 -14.834 -10.722 2.565 1.00 1.29 N ATOM 1447 CA PRO A 92 -15.703 -9.558 2.686 1.00 1.17 C ATOM 1448 C PRO A 92 -15.224 -8.681 3.855 1.00 1.39 C ATOM 1449 O PRO A 92 -15.786 -8.742 4.947 1.00 2.50 O ATOM 1450 CB PRO A 92 -17.107 -10.147 2.881 1.00 1.52 C ATOM 1451 CG PRO A 92 -16.841 -11.443 3.650 1.00 1.65 C ATOM 1452 CD PRO A 92 -15.489 -11.907 3.106 1.00 1.70 C ATOM 0 HA PRO A 92 -15.695 -8.898 1.819 1.00 1.17 H new ATOM 0 HB2 PRO A 92 -17.752 -9.471 3.442 1.00 1.52 H new ATOM 0 HB3 PRO A 92 -17.599 -10.339 1.927 1.00 1.52 H new ATOM 0 HG2 PRO A 92 -16.804 -11.271 4.726 1.00 1.65 H new ATOM 0 HG3 PRO A 92 -17.621 -12.183 3.472 1.00 1.65 H new ATOM 0 HD2 PRO A 92 -14.887 -12.357 3.895 1.00 1.70 H new ATOM 0 HD3 PRO A 92 -15.621 -12.665 2.334 1.00 1.70 H new ATOM 1460 N LEU A 93 -14.177 -7.884 3.608 1.00 1.18 N ATOM 1461 CA LEU A 93 -13.365 -7.156 4.576 1.00 1.31 C ATOM 1462 C LEU A 93 -14.147 -6.471 5.693 1.00 1.30 C ATOM 1463 O LEU A 93 -14.988 -5.592 5.482 1.00 1.71 O ATOM 1464 CB LEU A 93 -12.449 -6.138 3.867 1.00 1.60 C ATOM 1465 CG LEU A 93 -11.322 -6.723 2.990 1.00 1.30 C ATOM 1466 CD1 LEU A 93 -10.511 -5.562 2.391 1.00 2.06 C ATOM 1467 CD2 LEU A 93 -10.371 -7.640 3.772 1.00 2.25 C ATOM 0 H LEU A 93 -13.856 -7.723 2.653 1.00 1.18 H new ATOM 0 HA LEU A 93 -12.767 -7.923 5.068 1.00 1.31 H new ATOM 0 HB2 LEU A 93 -13.070 -5.497 3.242 1.00 1.60 H new ATOM 0 HB3 LEU A 93 -11.995 -5.500 4.626 1.00 1.60 H new ATOM 0 HG LEU A 93 -11.792 -7.328 2.214 1.00 1.30 H new ATOM 0 HD11 LEU A 93 -9.710 -5.961 1.768 1.00 2.06 H new ATOM 0 HD12 LEU A 93 -11.165 -4.936 1.784 1.00 2.06 H new ATOM 0 HD13 LEU A 93 -10.082 -4.965 3.196 1.00 2.06 H new ATOM 0 HD21 LEU A 93 -9.600 -8.021 3.102 1.00 2.25 H new ATOM 0 HD22 LEU A 93 -9.904 -7.076 4.580 1.00 2.25 H new ATOM 0 HD23 LEU A 93 -10.933 -8.475 4.190 1.00 2.25 H new ATOM 1479 N LYS A 94 -13.779 -6.849 6.905 1.00 1.13 N ATOM 1480 CA LYS A 94 -14.112 -6.195 8.174 1.00 1.20 C ATOM 1481 C LYS A 94 -12.877 -5.725 8.960 1.00 1.16 C ATOM 1482 O LYS A 94 -11.762 -6.216 8.808 1.00 1.55 O ATOM 1483 CB LYS A 94 -15.016 -7.099 9.032 1.00 1.43 C ATOM 1484 CG LYS A 94 -16.330 -7.487 8.336 1.00 2.00 C ATOM 1485 CD LYS A 94 -17.254 -6.306 7.983 1.00 3.57 C ATOM 1486 CE LYS A 94 -18.223 -6.622 6.833 1.00 5.07 C ATOM 1487 NZ LYS A 94 -17.516 -6.680 5.530 1.00 6.05 N ATOM 0 H LYS A 94 -13.200 -7.677 7.046 1.00 1.13 H new ATOM 0 HA LYS A 94 -14.664 -5.289 7.922 1.00 1.20 H new ATOM 0 HB2 LYS A 94 -14.469 -8.006 9.291 1.00 1.43 H new ATOM 0 HB3 LYS A 94 -15.246 -6.588 9.967 1.00 1.43 H new ATOM 0 HG2 LYS A 94 -16.092 -8.029 7.421 1.00 2.00 H new ATOM 0 HG3 LYS A 94 -16.876 -8.175 8.981 1.00 2.00 H new ATOM 0 HD2 LYS A 94 -17.827 -6.024 8.866 1.00 3.57 H new ATOM 0 HD3 LYS A 94 -16.645 -5.444 7.710 1.00 3.57 H new ATOM 0 HE2 LYS A 94 -18.717 -7.575 7.023 1.00 5.07 H new ATOM 0 HE3 LYS A 94 -19.002 -5.861 6.792 1.00 5.07 H new ATOM 0 HZ1 LYS A 94 -18.182 -6.454 4.763 1.00 6.05 H new ATOM 0 HZ2 LYS A 94 -16.737 -5.991 5.527 1.00 6.05 H new ATOM 0 HZ3 LYS A 94 -17.133 -7.636 5.385 1.00 6.05 H new ATOM 1501 N ALA A 95 -13.108 -4.740 9.826 1.00 1.14 N ATOM 1502 CA ALA A 95 -12.120 -4.284 10.789 1.00 1.23 C ATOM 1503 C ALA A 95 -11.828 -5.429 11.762 1.00 1.21 C ATOM 1504 O ALA A 95 -12.737 -6.125 12.210 1.00 1.29 O ATOM 1505 CB ALA A 95 -12.639 -3.036 11.514 1.00 1.44 C ATOM 0 H ALA A 95 -13.993 -4.236 9.876 1.00 1.14 H new ATOM 0 HA ALA A 95 -11.192 -4.006 10.289 1.00 1.23 H new ATOM 0 HB1 ALA A 95 -11.895 -2.698 12.235 1.00 1.44 H new ATOM 0 HB2 ALA A 95 -12.826 -2.245 10.788 1.00 1.44 H new ATOM 0 HB3 ALA A 95 -13.566 -3.277 12.035 1.00 1.44 H new ATOM 1511 N GLY A 96 -10.548 -5.617 12.039 1.00 1.20 N ATOM 1512 CA GLY A 96 -10.021 -6.666 12.923 1.00 1.28 C ATOM 1513 C GLY A 96 -9.654 -7.980 12.226 1.00 1.30 C ATOM 1514 O GLY A 96 -9.208 -8.898 12.908 1.00 1.78 O ATOM 0 H GLY A 96 -9.815 -5.027 11.645 1.00 1.20 H new ATOM 0 HA2 GLY A 96 -9.135 -6.282 13.429 1.00 1.28 H new ATOM 0 HA3 GLY A 96 -10.763 -6.876 13.694 1.00 1.28 H new ATOM 1518 N GLU A 97 -9.801 -8.074 10.899 1.00 1.00 N ATOM 1519 CA GLU A 97 -9.277 -9.195 10.112 1.00 0.95 C ATOM 1520 C GLU A 97 -7.745 -9.128 9.919 1.00 0.84 C ATOM 1521 O GLU A 97 -7.051 -8.275 10.472 1.00 0.85 O ATOM 1522 CB GLU A 97 -10.014 -9.277 8.763 1.00 0.96 C ATOM 1523 CG GLU A 97 -11.462 -9.743 8.907 1.00 1.10 C ATOM 1524 CD GLU A 97 -11.988 -10.226 7.560 1.00 1.26 C ATOM 1525 OE1 GLU A 97 -11.760 -11.420 7.261 1.00 2.19 O ATOM 1526 OE2 GLU A 97 -12.558 -9.397 6.816 1.00 2.37 O ATOM 0 H GLU A 97 -10.288 -7.373 10.340 1.00 1.00 H new ATOM 0 HA GLU A 97 -9.465 -10.109 10.675 1.00 0.95 H new ATOM 0 HB2 GLU A 97 -9.998 -8.297 8.285 1.00 0.96 H new ATOM 0 HB3 GLU A 97 -9.481 -9.962 8.104 1.00 0.96 H new ATOM 0 HG2 GLU A 97 -11.523 -10.547 9.641 1.00 1.10 H new ATOM 0 HG3 GLU A 97 -12.081 -8.926 9.277 1.00 1.10 H new ATOM 1533 N GLU A 98 -7.226 -10.036 9.095 1.00 0.85 N ATOM 1534 CA GLU A 98 -5.849 -10.443 8.907 1.00 0.81 C ATOM 1535 C GLU A 98 -5.677 -10.608 7.388 1.00 0.81 C ATOM 1536 O GLU A 98 -6.469 -11.279 6.725 1.00 1.11 O ATOM 1537 CB GLU A 98 -5.611 -11.765 9.678 1.00 1.24 C ATOM 1538 CG GLU A 98 -6.397 -12.949 9.075 1.00 2.64 C ATOM 1539 CD GLU A 98 -6.720 -14.108 10.005 1.00 3.47 C ATOM 1540 OE1 GLU A 98 -5.995 -14.325 10.994 1.00 3.32 O ATOM 1541 OE2 GLU A 98 -7.711 -14.795 9.656 1.00 5.10 O ATOM 0 H GLU A 98 -7.840 -10.562 8.473 1.00 0.85 H new ATOM 0 HA GLU A 98 -5.124 -9.724 9.288 1.00 0.81 H new ATOM 0 HB2 GLU A 98 -4.546 -11.999 9.672 1.00 1.24 H new ATOM 0 HB3 GLU A 98 -5.903 -11.632 10.720 1.00 1.24 H new ATOM 0 HG2 GLU A 98 -7.335 -12.564 8.675 1.00 2.64 H new ATOM 0 HG3 GLU A 98 -5.827 -13.340 8.232 1.00 2.64 H new ATOM 1548 N VAL A 99 -4.694 -9.934 6.810 1.00 0.74 N ATOM 1549 CA VAL A 99 -4.455 -9.930 5.360 1.00 0.82 C ATOM 1550 C VAL A 99 -2.961 -9.862 5.053 1.00 0.81 C ATOM 1551 O VAL A 99 -2.250 -8.972 5.517 1.00 0.88 O ATOM 1552 CB VAL A 99 -5.213 -8.771 4.665 1.00 0.92 C ATOM 1553 CG1 VAL A 99 -4.771 -8.619 3.200 1.00 1.18 C ATOM 1554 CG2 VAL A 99 -6.740 -8.971 4.681 1.00 0.98 C ATOM 0 H VAL A 99 -4.028 -9.366 7.333 1.00 0.74 H new ATOM 0 HA VAL A 99 -4.843 -10.867 4.960 1.00 0.82 H new ATOM 0 HB VAL A 99 -4.966 -7.874 5.233 1.00 0.92 H new ATOM 0 HG11 VAL A 99 -5.320 -7.798 2.738 1.00 1.18 H new ATOM 0 HG12 VAL A 99 -3.702 -8.408 3.162 1.00 1.18 H new ATOM 0 HG13 VAL A 99 -4.977 -9.543 2.660 1.00 1.18 H new ATOM 0 HG21 VAL A 99 -7.222 -8.131 4.181 1.00 0.98 H new ATOM 0 HG22 VAL A 99 -6.991 -9.895 4.161 1.00 0.98 H new ATOM 0 HG23 VAL A 99 -7.089 -9.029 5.712 1.00 0.98 H new ATOM 1564 N GLU A 100 -2.507 -10.790 4.209 1.00 0.83 N ATOM 1565 CA GLU A 100 -1.170 -10.741 3.628 1.00 0.87 C ATOM 1566 C GLU A 100 -1.122 -9.743 2.464 1.00 0.88 C ATOM 1567 O GLU A 100 -2.063 -9.663 1.669 1.00 0.88 O ATOM 1568 CB GLU A 100 -0.733 -12.123 3.120 1.00 1.07 C ATOM 1569 CG GLU A 100 -0.794 -13.229 4.180 1.00 1.52 C ATOM 1570 CD GLU A 100 -0.155 -14.497 3.628 1.00 1.58 C ATOM 1571 OE1 GLU A 100 -0.631 -15.038 2.604 1.00 1.97 O ATOM 1572 OE2 GLU A 100 0.907 -14.911 4.135 1.00 2.48 O ATOM 0 H GLU A 100 -3.058 -11.595 3.911 1.00 0.83 H new ATOM 0 HA GLU A 100 -0.487 -10.419 4.414 1.00 0.87 H new ATOM 0 HB2 GLU A 100 -1.366 -12.406 2.279 1.00 1.07 H new ATOM 0 HB3 GLU A 100 0.287 -12.053 2.742 1.00 1.07 H new ATOM 0 HG2 GLU A 100 -0.274 -12.911 5.084 1.00 1.52 H new ATOM 0 HG3 GLU A 100 -1.830 -13.423 4.460 1.00 1.52 H new ATOM 1579 N LEU A 101 0.008 -9.042 2.335 1.00 0.96 N ATOM 1580 CA LEU A 101 0.460 -8.447 1.076 1.00 0.90 C ATOM 1581 C LEU A 101 1.806 -9.062 0.671 1.00 0.80 C ATOM 1582 O LEU A 101 2.737 -9.170 1.481 1.00 0.92 O ATOM 1583 CB LEU A 101 0.550 -6.906 1.158 1.00 0.98 C ATOM 1584 CG LEU A 101 -0.679 -6.181 0.566 1.00 1.04 C ATOM 1585 CD1 LEU A 101 -1.906 -6.213 1.488 1.00 1.57 C ATOM 1586 CD2 LEU A 101 -0.354 -4.712 0.274 1.00 1.78 C ATOM 0 H LEU A 101 0.643 -8.870 3.114 1.00 0.96 H new ATOM 0 HA LEU A 101 -0.281 -8.671 0.309 1.00 0.90 H new ATOM 0 HB2 LEU A 101 0.667 -6.612 2.201 1.00 0.98 H new ATOM 0 HB3 LEU A 101 1.445 -6.574 0.632 1.00 0.98 H new ATOM 0 HG LEU A 101 -0.919 -6.722 -0.350 1.00 1.04 H new ATOM 0 HD11 LEU A 101 -2.733 -5.686 1.012 1.00 1.57 H new ATOM 0 HD12 LEU A 101 -2.194 -7.248 1.674 1.00 1.57 H new ATOM 0 HD13 LEU A 101 -1.663 -5.728 2.433 1.00 1.57 H new ATOM 0 HD21 LEU A 101 -1.233 -4.221 -0.142 1.00 1.78 H new ATOM 0 HD22 LEU A 101 -0.063 -4.213 1.198 1.00 1.78 H new ATOM 0 HD23 LEU A 101 0.466 -4.656 -0.442 1.00 1.78 H new ATOM 1598 N ASP A 102 1.879 -9.413 -0.610 1.00 0.66 N ATOM 1599 CA ASP A 102 3.057 -9.825 -1.367 1.00 0.59 C ATOM 1600 C ASP A 102 3.648 -8.585 -2.055 1.00 0.60 C ATOM 1601 O ASP A 102 2.900 -7.753 -2.567 1.00 0.73 O ATOM 1602 CB ASP A 102 2.654 -10.843 -2.450 1.00 0.70 C ATOM 1603 CG ASP A 102 1.787 -12.040 -2.025 1.00 1.40 C ATOM 1604 OD1 ASP A 102 1.903 -12.506 -0.869 1.00 2.07 O ATOM 1605 OD2 ASP A 102 1.020 -12.503 -2.903 1.00 2.78 O ATOM 0 H ASP A 102 1.043 -9.417 -1.195 1.00 0.66 H new ATOM 0 HA ASP A 102 3.784 -10.280 -0.695 1.00 0.59 H new ATOM 0 HB2 ASP A 102 2.120 -10.305 -3.233 1.00 0.70 H new ATOM 0 HB3 ASP A 102 3.568 -11.234 -2.898 1.00 0.70 H new ATOM 1610 N LEU A 103 4.974 -8.443 -2.084 1.00 0.66 N ATOM 1611 CA LEU A 103 5.697 -7.266 -2.567 1.00 0.63 C ATOM 1612 C LEU A 103 6.580 -7.654 -3.764 1.00 0.64 C ATOM 1613 O LEU A 103 7.368 -8.595 -3.672 1.00 0.73 O ATOM 1614 CB LEU A 103 6.569 -6.699 -1.425 1.00 0.66 C ATOM 1615 CG LEU A 103 5.820 -6.078 -0.222 1.00 0.70 C ATOM 1616 CD1 LEU A 103 5.192 -7.093 0.745 1.00 0.81 C ATOM 1617 CD2 LEU A 103 6.805 -5.233 0.595 1.00 0.91 C ATOM 0 H LEU A 103 5.601 -9.178 -1.757 1.00 0.66 H new ATOM 0 HA LEU A 103 4.986 -6.505 -2.888 1.00 0.63 H new ATOM 0 HB2 LEU A 103 7.205 -7.502 -1.052 1.00 0.66 H new ATOM 0 HB3 LEU A 103 7.228 -5.939 -1.845 1.00 0.66 H new ATOM 0 HG LEU A 103 5.006 -5.498 -0.658 1.00 0.70 H new ATOM 0 HD11 LEU A 103 4.690 -6.562 1.554 1.00 0.81 H new ATOM 0 HD12 LEU A 103 4.468 -7.706 0.209 1.00 0.81 H new ATOM 0 HD13 LEU A 103 5.972 -7.732 1.159 1.00 0.81 H new ATOM 0 HD21 LEU A 103 6.286 -4.791 1.446 1.00 0.91 H new ATOM 0 HD22 LEU A 103 7.617 -5.866 0.954 1.00 0.91 H new ATOM 0 HD23 LEU A 103 7.213 -4.441 -0.033 1.00 0.91 H new ATOM 1629 N LEU A 104 6.475 -6.909 -4.873 1.00 0.63 N ATOM 1630 CA LEU A 104 7.204 -7.142 -6.125 1.00 0.64 C ATOM 1631 C LEU A 104 8.318 -6.096 -6.303 1.00 0.64 C ATOM 1632 O LEU A 104 8.058 -4.898 -6.469 1.00 0.61 O ATOM 1633 CB LEU A 104 6.203 -7.110 -7.301 1.00 0.64 C ATOM 1634 CG LEU A 104 5.054 -8.141 -7.229 1.00 0.67 C ATOM 1635 CD1 LEU A 104 4.178 -8.044 -8.485 1.00 0.67 C ATOM 1636 CD2 LEU A 104 5.558 -9.583 -7.082 1.00 0.75 C ATOM 0 H LEU A 104 5.858 -6.099 -4.924 1.00 0.63 H new ATOM 0 HA LEU A 104 7.683 -8.121 -6.098 1.00 0.64 H new ATOM 0 HB2 LEU A 104 5.768 -6.112 -7.358 1.00 0.64 H new ATOM 0 HB3 LEU A 104 6.754 -7.271 -8.228 1.00 0.64 H new ATOM 0 HG LEU A 104 4.474 -7.899 -6.338 1.00 0.67 H new ATOM 0 HD11 LEU A 104 3.372 -8.775 -8.424 1.00 0.67 H new ATOM 0 HD12 LEU A 104 3.755 -7.042 -8.557 1.00 0.67 H new ATOM 0 HD13 LEU A 104 4.784 -8.246 -9.368 1.00 0.67 H new ATOM 0 HD21 LEU A 104 4.707 -10.263 -7.037 1.00 0.75 H new ATOM 0 HD22 LEU A 104 6.182 -9.839 -7.938 1.00 0.75 H new ATOM 0 HD23 LEU A 104 6.143 -9.672 -6.167 1.00 0.75 H new ATOM 1648 N PHE A 105 9.571 -6.557 -6.282 1.00 0.71 N ATOM 1649 CA PHE A 105 10.771 -5.725 -6.273 1.00 0.66 C ATOM 1650 C PHE A 105 11.564 -5.854 -7.578 1.00 0.74 C ATOM 1651 O PHE A 105 12.113 -6.914 -7.876 1.00 1.11 O ATOM 1652 CB PHE A 105 11.640 -6.123 -5.081 1.00 0.67 C ATOM 1653 CG PHE A 105 11.022 -5.796 -3.744 1.00 0.65 C ATOM 1654 CD1 PHE A 105 10.967 -4.459 -3.307 1.00 1.86 C ATOM 1655 CD2 PHE A 105 10.520 -6.825 -2.927 1.00 1.86 C ATOM 1656 CE1 PHE A 105 10.451 -4.155 -2.037 1.00 1.83 C ATOM 1657 CE2 PHE A 105 10.009 -6.516 -1.659 1.00 1.90 C ATOM 1658 CZ PHE A 105 9.988 -5.190 -1.208 1.00 0.71 C ATOM 0 H PHE A 105 9.782 -7.555 -6.270 1.00 0.71 H new ATOM 0 HA PHE A 105 10.469 -4.681 -6.184 1.00 0.66 H new ATOM 0 HB2 PHE A 105 11.837 -7.194 -5.128 1.00 0.67 H new ATOM 0 HB3 PHE A 105 12.603 -5.618 -5.160 1.00 0.67 H new ATOM 0 HD1 PHE A 105 11.322 -3.666 -3.949 1.00 1.86 H new ATOM 0 HD2 PHE A 105 10.528 -7.847 -3.275 1.00 1.86 H new ATOM 0 HE1 PHE A 105 10.410 -3.130 -1.699 1.00 1.83 H new ATOM 0 HE2 PHE A 105 9.629 -7.305 -1.026 1.00 1.90 H new ATOM 0 HZ PHE A 105 9.615 -4.963 -0.220 1.00 0.71 H new ATOM 1668 N ALA A 106 11.646 -4.748 -8.331 1.00 0.72 N ATOM 1669 CA ALA A 106 12.385 -4.602 -9.594 1.00 0.82 C ATOM 1670 C ALA A 106 12.122 -5.731 -10.617 1.00 1.91 C ATOM 1671 O ALA A 106 12.997 -6.066 -11.415 1.00 3.03 O ATOM 1672 CB ALA A 106 13.874 -4.389 -9.269 1.00 1.22 C ATOM 0 H ALA A 106 11.174 -3.885 -8.061 1.00 0.72 H new ATOM 0 HA ALA A 106 12.009 -3.721 -10.114 1.00 0.82 H new ATOM 0 HB1 ALA A 106 14.437 -4.279 -10.196 1.00 1.22 H new ATOM 0 HB2 ALA A 106 13.989 -3.489 -8.665 1.00 1.22 H new ATOM 0 HB3 ALA A 106 14.252 -5.248 -8.715 1.00 1.22 H new ATOM 1678 N GLY A 107 10.943 -6.361 -10.548 1.00 2.56 N ATOM 1679 CA GLY A 107 10.576 -7.564 -11.304 1.00 3.78 C ATOM 1680 C GLY A 107 11.148 -8.848 -10.694 1.00 3.09 C ATOM 1681 O GLY A 107 10.391 -9.743 -10.336 1.00 4.40 O ATOM 0 H GLY A 107 10.191 -6.035 -9.941 1.00 2.56 H new ATOM 0 HA2 GLY A 107 9.490 -7.642 -11.349 1.00 3.78 H new ATOM 0 HA3 GLY A 107 10.931 -7.465 -12.330 1.00 3.78 H new ATOM 1685 N GLY A 108 12.478 -8.938 -10.583 1.00 1.60 N ATOM 1686 CA GLY A 108 13.212 -10.188 -10.317 1.00 1.74 C ATOM 1687 C GLY A 108 13.251 -10.677 -8.862 1.00 1.67 C ATOM 1688 O GLY A 108 13.927 -11.666 -8.586 1.00 2.21 O ATOM 0 H GLY A 108 13.091 -8.128 -10.677 1.00 1.60 H new ATOM 0 HA2 GLY A 108 12.771 -10.976 -10.928 1.00 1.74 H new ATOM 0 HA3 GLY A 108 14.239 -10.057 -10.658 1.00 1.74 H new ATOM 1692 N LYS A 109 12.576 -10.008 -7.919 1.00 1.20 N ATOM 1693 CA LYS A 109 12.499 -10.412 -6.505 1.00 1.15 C ATOM 1694 C LYS A 109 11.076 -10.295 -5.936 1.00 1.05 C ATOM 1695 O LYS A 109 10.362 -9.334 -6.215 1.00 1.03 O ATOM 1696 CB LYS A 109 13.478 -9.557 -5.674 1.00 1.08 C ATOM 1697 CG LYS A 109 14.925 -10.045 -5.794 1.00 1.49 C ATOM 1698 CD LYS A 109 15.897 -9.051 -5.141 1.00 1.58 C ATOM 1699 CE LYS A 109 17.340 -9.545 -5.311 1.00 2.52 C ATOM 1700 NZ LYS A 109 18.327 -8.598 -4.734 1.00 3.43 N ATOM 0 H LYS A 109 12.057 -9.153 -8.119 1.00 1.20 H new ATOM 0 HA LYS A 109 12.777 -11.464 -6.445 1.00 1.15 H new ATOM 0 HB2 LYS A 109 13.419 -8.519 -6.002 1.00 1.08 H new ATOM 0 HB3 LYS A 109 13.176 -9.578 -4.627 1.00 1.08 H new ATOM 0 HG2 LYS A 109 15.024 -11.021 -5.319 1.00 1.49 H new ATOM 0 HG3 LYS A 109 15.183 -10.174 -6.845 1.00 1.49 H new ATOM 0 HD2 LYS A 109 15.784 -8.067 -5.595 1.00 1.58 H new ATOM 0 HD3 LYS A 109 15.663 -8.942 -4.082 1.00 1.58 H new ATOM 0 HE2 LYS A 109 17.448 -10.518 -4.831 1.00 2.52 H new ATOM 0 HE3 LYS A 109 17.551 -9.687 -6.371 1.00 2.52 H new ATOM 0 HZ1 LYS A 109 19.288 -8.972 -4.871 1.00 3.43 H new ATOM 0 HZ2 LYS A 109 18.243 -7.677 -5.209 1.00 3.43 H new ATOM 0 HZ3 LYS A 109 18.143 -8.482 -3.717 1.00 3.43 H new ATOM 1714 N VAL A 110 10.714 -11.240 -5.067 1.00 1.05 N ATOM 1715 CA VAL A 110 9.416 -11.310 -4.370 1.00 1.00 C ATOM 1716 C VAL A 110 9.644 -11.614 -2.884 1.00 1.04 C ATOM 1717 O VAL A 110 10.595 -12.316 -2.534 1.00 1.16 O ATOM 1718 CB VAL A 110 8.465 -12.367 -4.996 1.00 1.04 C ATOM 1719 CG1 VAL A 110 7.052 -12.345 -4.374 1.00 1.75 C ATOM 1720 CG2 VAL A 110 8.329 -12.173 -6.520 1.00 2.29 C ATOM 0 H VAL A 110 11.335 -12.009 -4.816 1.00 1.05 H new ATOM 0 HA VAL A 110 8.930 -10.340 -4.479 1.00 1.00 H new ATOM 0 HB VAL A 110 8.925 -13.332 -4.782 1.00 1.04 H new ATOM 0 HG11 VAL A 110 6.433 -13.105 -4.851 1.00 1.75 H new ATOM 0 HG12 VAL A 110 7.121 -12.552 -3.306 1.00 1.75 H new ATOM 0 HG13 VAL A 110 6.603 -11.363 -4.525 1.00 1.75 H new ATOM 0 HG21 VAL A 110 7.657 -12.930 -6.925 1.00 2.29 H new ATOM 0 HG22 VAL A 110 7.926 -11.182 -6.726 1.00 2.29 H new ATOM 0 HG23 VAL A 110 9.309 -12.271 -6.988 1.00 2.29 H new ATOM 1730 N LEU A 111 8.766 -11.077 -2.035 1.00 0.98 N ATOM 1731 CA LEU A 111 8.683 -11.268 -0.580 1.00 1.02 C ATOM 1732 C LEU A 111 7.220 -11.031 -0.148 1.00 0.97 C ATOM 1733 O LEU A 111 6.448 -10.491 -0.931 1.00 1.37 O ATOM 1734 CB LEU A 111 9.709 -10.311 0.065 1.00 1.15 C ATOM 1735 CG LEU A 111 9.758 -10.245 1.609 1.00 1.13 C ATOM 1736 CD1 LEU A 111 11.206 -10.067 2.092 1.00 1.87 C ATOM 1737 CD2 LEU A 111 8.927 -9.070 2.153 1.00 1.89 C ATOM 0 H LEU A 111 8.036 -10.448 -2.370 1.00 0.98 H new ATOM 0 HA LEU A 111 8.936 -12.277 -0.253 1.00 1.02 H new ATOM 0 HB2 LEU A 111 10.700 -10.593 -0.290 1.00 1.15 H new ATOM 0 HB3 LEU A 111 9.511 -9.306 -0.308 1.00 1.15 H new ATOM 0 HG LEU A 111 9.343 -11.182 1.979 1.00 1.13 H new ATOM 0 HD11 LEU A 111 11.223 -10.022 3.181 1.00 1.87 H new ATOM 0 HD12 LEU A 111 11.809 -10.910 1.754 1.00 1.87 H new ATOM 0 HD13 LEU A 111 11.614 -9.142 1.684 1.00 1.87 H new ATOM 0 HD21 LEU A 111 8.986 -9.056 3.241 1.00 1.89 H new ATOM 0 HD22 LEU A 111 9.318 -8.133 1.757 1.00 1.89 H new ATOM 0 HD23 LEU A 111 7.887 -9.187 1.847 1.00 1.89 H new ATOM 1749 N LYS A 112 6.817 -11.402 1.073 1.00 0.88 N ATOM 1750 CA LYS A 112 5.493 -11.032 1.606 1.00 1.05 C ATOM 1751 C LYS A 112 5.494 -10.743 3.117 1.00 0.96 C ATOM 1752 O LYS A 112 6.406 -11.163 3.831 1.00 1.14 O ATOM 1753 CB LYS A 112 4.428 -12.061 1.186 1.00 1.50 C ATOM 1754 CG LYS A 112 4.443 -13.420 1.899 1.00 1.38 C ATOM 1755 CD LYS A 112 3.201 -14.194 1.438 1.00 1.50 C ATOM 1756 CE LYS A 112 3.079 -15.571 2.090 1.00 1.38 C ATOM 1757 NZ LYS A 112 1.741 -16.141 1.813 1.00 1.74 N ATOM 0 H LYS A 112 7.385 -11.957 1.713 1.00 0.88 H new ATOM 0 HA LYS A 112 5.223 -10.078 1.152 1.00 1.05 H new ATOM 0 HB2 LYS A 112 3.447 -11.612 1.337 1.00 1.50 H new ATOM 0 HB3 LYS A 112 4.535 -12.240 0.116 1.00 1.50 H new ATOM 0 HG2 LYS A 112 5.351 -13.971 1.655 1.00 1.38 H new ATOM 0 HG3 LYS A 112 4.432 -13.286 2.981 1.00 1.38 H new ATOM 0 HD2 LYS A 112 2.310 -13.610 1.667 1.00 1.50 H new ATOM 0 HD3 LYS A 112 3.235 -14.313 0.355 1.00 1.50 H new ATOM 0 HE2 LYS A 112 3.854 -16.235 1.706 1.00 1.38 H new ATOM 0 HE3 LYS A 112 3.234 -15.489 3.166 1.00 1.38 H new ATOM 0 HZ1 LYS A 112 1.473 -16.787 2.582 1.00 1.74 H new ATOM 0 HZ2 LYS A 112 1.043 -15.373 1.747 1.00 1.74 H new ATOM 0 HZ3 LYS A 112 1.766 -16.664 0.914 1.00 1.74 H new ATOM 1771 N VAL A 113 4.471 -10.032 3.600 1.00 0.83 N ATOM 1772 CA VAL A 113 4.277 -9.658 5.021 1.00 0.89 C ATOM 1773 C VAL A 113 2.778 -9.729 5.354 1.00 0.84 C ATOM 1774 O VAL A 113 1.952 -9.639 4.449 1.00 0.99 O ATOM 1775 CB VAL A 113 4.822 -8.238 5.354 1.00 1.13 C ATOM 1776 CG1 VAL A 113 5.090 -8.079 6.863 1.00 1.82 C ATOM 1777 CG2 VAL A 113 6.120 -7.866 4.612 1.00 2.38 C ATOM 0 H VAL A 113 3.724 -9.684 2.999 1.00 0.83 H new ATOM 0 HA VAL A 113 4.845 -10.363 5.628 1.00 0.89 H new ATOM 0 HB VAL A 113 4.033 -7.566 5.018 1.00 1.13 H new ATOM 0 HG11 VAL A 113 5.470 -7.077 7.061 1.00 1.82 H new ATOM 0 HG12 VAL A 113 4.163 -8.232 7.415 1.00 1.82 H new ATOM 0 HG13 VAL A 113 5.828 -8.816 7.181 1.00 1.82 H new ATOM 0 HG21 VAL A 113 6.430 -6.862 4.902 1.00 2.38 H new ATOM 0 HG22 VAL A 113 6.904 -8.577 4.872 1.00 2.38 H new ATOM 0 HG23 VAL A 113 5.946 -7.896 3.536 1.00 2.38 H new ATOM 1787 N VAL A 114 2.426 -9.868 6.635 1.00 0.87 N ATOM 1788 CA VAL A 114 1.035 -9.965 7.108 1.00 0.83 C ATOM 1789 C VAL A 114 0.689 -8.749 7.968 1.00 0.87 C ATOM 1790 O VAL A 114 1.464 -8.344 8.835 1.00 1.10 O ATOM 1791 CB VAL A 114 0.744 -11.304 7.830 1.00 1.00 C ATOM 1792 CG1 VAL A 114 1.548 -11.491 9.131 1.00 2.45 C ATOM 1793 CG2 VAL A 114 -0.760 -11.473 8.101 1.00 2.14 C ATOM 0 H VAL A 114 3.110 -9.918 7.390 1.00 0.87 H new ATOM 0 HA VAL A 114 0.381 -9.961 6.236 1.00 0.83 H new ATOM 0 HB VAL A 114 1.075 -12.085 7.146 1.00 1.00 H new ATOM 0 HG11 VAL A 114 1.293 -12.450 9.582 1.00 2.45 H new ATOM 0 HG12 VAL A 114 2.614 -11.468 8.906 1.00 2.45 H new ATOM 0 HG13 VAL A 114 1.306 -10.687 9.827 1.00 2.45 H new ATOM 0 HG21 VAL A 114 -0.934 -12.422 8.609 1.00 2.14 H new ATOM 0 HG22 VAL A 114 -1.110 -10.655 8.731 1.00 2.14 H new ATOM 0 HG23 VAL A 114 -1.303 -11.462 7.156 1.00 2.14 H new ATOM 1803 N LEU A 115 -0.471 -8.159 7.677 1.00 0.83 N ATOM 1804 CA LEU A 115 -1.016 -6.946 8.282 1.00 0.86 C ATOM 1805 C LEU A 115 -2.428 -7.258 8.835 1.00 0.83 C ATOM 1806 O LEU A 115 -3.156 -8.057 8.232 1.00 0.91 O ATOM 1807 CB LEU A 115 -1.144 -5.842 7.208 1.00 0.92 C ATOM 1808 CG LEU A 115 0.122 -5.330 6.478 1.00 1.40 C ATOM 1809 CD1 LEU A 115 1.324 -5.121 7.412 1.00 3.29 C ATOM 1810 CD2 LEU A 115 0.520 -6.210 5.282 1.00 1.73 C ATOM 0 H LEU A 115 -1.094 -8.542 6.966 1.00 0.83 H new ATOM 0 HA LEU A 115 -0.355 -6.609 9.081 1.00 0.86 H new ATOM 0 HB2 LEU A 115 -1.833 -6.207 6.447 1.00 0.92 H new ATOM 0 HB3 LEU A 115 -1.618 -4.981 7.681 1.00 0.92 H new ATOM 0 HG LEU A 115 -0.163 -4.351 6.093 1.00 1.40 H new ATOM 0 HD11 LEU A 115 2.176 -4.762 6.834 1.00 3.29 H new ATOM 0 HD12 LEU A 115 1.068 -4.387 8.176 1.00 3.29 H new ATOM 0 HD13 LEU A 115 1.582 -6.066 7.890 1.00 3.29 H new ATOM 0 HD21 LEU A 115 1.414 -5.801 4.811 1.00 1.73 H new ATOM 0 HD22 LEU A 115 0.724 -7.223 5.628 1.00 1.73 H new ATOM 0 HD23 LEU A 115 -0.295 -6.230 4.558 1.00 1.73 H new ATOM 1822 N PRO A 116 -2.871 -6.598 9.921 1.00 0.77 N ATOM 1823 CA PRO A 116 -4.280 -6.542 10.289 1.00 0.74 C ATOM 1824 C PRO A 116 -5.092 -5.677 9.309 1.00 0.78 C ATOM 1825 O PRO A 116 -4.553 -4.834 8.591 1.00 0.86 O ATOM 1826 CB PRO A 116 -4.304 -5.949 11.702 1.00 0.75 C ATOM 1827 CG PRO A 116 -3.053 -5.070 11.726 1.00 0.71 C ATOM 1828 CD PRO A 116 -2.065 -5.881 10.895 1.00 0.74 C ATOM 0 HA PRO A 116 -4.739 -7.530 10.254 1.00 0.74 H new ATOM 0 HB2 PRO A 116 -5.209 -5.368 11.881 1.00 0.75 H new ATOM 0 HB3 PRO A 116 -4.267 -6.725 12.466 1.00 0.75 H new ATOM 0 HG2 PRO A 116 -3.239 -4.088 11.291 1.00 0.71 H new ATOM 0 HG3 PRO A 116 -2.691 -4.906 12.741 1.00 0.71 H new ATOM 0 HD2 PRO A 116 -1.341 -5.232 10.403 1.00 0.74 H new ATOM 0 HD3 PRO A 116 -1.500 -6.572 11.521 1.00 0.74 H new ATOM 1836 N VAL A 117 -6.413 -5.851 9.315 1.00 0.77 N ATOM 1837 CA VAL A 117 -7.363 -4.948 8.641 1.00 0.83 C ATOM 1838 C VAL A 117 -7.918 -3.938 9.659 1.00 0.96 C ATOM 1839 O VAL A 117 -8.275 -4.320 10.773 1.00 1.14 O ATOM 1840 CB VAL A 117 -8.512 -5.740 7.980 1.00 0.81 C ATOM 1841 CG1 VAL A 117 -9.431 -4.835 7.139 1.00 0.91 C ATOM 1842 CG2 VAL A 117 -7.987 -6.852 7.059 1.00 0.76 C ATOM 0 H VAL A 117 -6.865 -6.631 9.792 1.00 0.77 H new ATOM 0 HA VAL A 117 -6.837 -4.412 7.851 1.00 0.83 H new ATOM 0 HB VAL A 117 -9.075 -6.174 8.806 1.00 0.81 H new ATOM 0 HG11 VAL A 117 -10.224 -5.435 6.694 1.00 0.91 H new ATOM 0 HG12 VAL A 117 -9.871 -4.069 7.778 1.00 0.91 H new ATOM 0 HG13 VAL A 117 -8.849 -4.359 6.350 1.00 0.91 H new ATOM 0 HG21 VAL A 117 -8.828 -7.384 6.615 1.00 0.76 H new ATOM 0 HG22 VAL A 117 -7.378 -6.413 6.269 1.00 0.76 H new ATOM 0 HG23 VAL A 117 -7.382 -7.549 7.639 1.00 0.76 H new ATOM 1852 N GLU A 118 -8.032 -2.661 9.272 1.00 0.98 N ATOM 1853 CA GLU A 118 -8.578 -1.565 10.077 1.00 1.04 C ATOM 1854 C GLU A 118 -9.349 -0.571 9.202 1.00 1.22 C ATOM 1855 O GLU A 118 -8.948 -0.272 8.078 1.00 1.58 O ATOM 1856 CB GLU A 118 -7.442 -0.858 10.841 1.00 1.22 C ATOM 1857 CG GLU A 118 -7.633 -0.995 12.347 1.00 1.74 C ATOM 1858 CD GLU A 118 -8.703 -0.036 12.868 1.00 2.67 C ATOM 1859 OE1 GLU A 118 -9.893 -0.206 12.520 1.00 3.82 O ATOM 1860 OE2 GLU A 118 -8.343 0.934 13.573 1.00 3.34 O ATOM 0 H GLU A 118 -7.732 -2.352 8.347 1.00 0.98 H new ATOM 0 HA GLU A 118 -9.280 -1.981 10.800 1.00 1.04 H new ATOM 0 HB2 GLU A 118 -6.482 -1.286 10.552 1.00 1.22 H new ATOM 0 HB3 GLU A 118 -7.416 0.197 10.568 1.00 1.22 H new ATOM 0 HG2 GLU A 118 -7.915 -2.020 12.587 1.00 1.74 H new ATOM 0 HG3 GLU A 118 -6.688 -0.797 12.854 1.00 1.74 H new ATOM 1867 N ALA A 119 -10.467 -0.061 9.722 1.00 1.26 N ATOM 1868 CA ALA A 119 -11.453 0.721 8.973 1.00 1.52 C ATOM 1869 C ALA A 119 -11.220 2.230 9.116 1.00 1.71 C ATOM 1870 O ALA A 119 -11.792 2.885 9.994 1.00 2.31 O ATOM 1871 CB ALA A 119 -12.856 0.292 9.427 1.00 1.92 C ATOM 0 H ALA A 119 -10.719 -0.184 10.703 1.00 1.26 H new ATOM 0 HA ALA A 119 -11.348 0.519 7.907 1.00 1.52 H new ATOM 0 HB1 ALA A 119 -13.606 0.864 8.880 1.00 1.92 H new ATOM 0 HB2 ALA A 119 -12.994 -0.771 9.228 1.00 1.92 H new ATOM 0 HB3 ALA A 119 -12.966 0.478 10.495 1.00 1.92 H new ATOM 1877 N ARG A 120 -10.355 2.776 8.254 1.00 2.06 N ATOM 1878 CA ARG A 120 -9.892 4.174 8.297 1.00 2.48 C ATOM 1879 C ARG A 120 -10.029 4.842 6.931 1.00 3.00 C ATOM 1880 O ARG A 120 -9.139 4.649 6.081 1.00 3.98 O ATOM 1881 CB ARG A 120 -8.453 4.223 8.867 1.00 3.37 C ATOM 1882 CG ARG A 120 -8.282 3.522 10.233 1.00 4.24 C ATOM 1883 CD ARG A 120 -9.108 4.182 11.346 1.00 5.00 C ATOM 1884 NE ARG A 120 -9.417 3.246 12.441 1.00 6.09 N ATOM 1885 CZ ARG A 120 -10.575 3.074 13.047 1.00 6.84 C ATOM 1886 NH1 ARG A 120 -11.674 3.652 12.663 1.00 6.82 N ATOM 1887 NH2 ARG A 120 -10.649 2.274 14.060 1.00 8.18 N ATOM 1888 OXT ARG A 120 -11.095 5.440 6.680 1.00 3.23 O ATOM 0 H ARG A 120 -9.945 2.246 7.485 1.00 2.06 H new ATOM 0 HA ARG A 120 -10.526 4.753 8.968 1.00 2.48 H new ATOM 0 HB2 ARG A 120 -7.775 3.762 8.149 1.00 3.37 H new ATOM 0 HB3 ARG A 120 -8.150 5.265 8.967 1.00 3.37 H new ATOM 0 HG2 ARG A 120 -8.576 2.477 10.139 1.00 4.24 H new ATOM 0 HG3 ARG A 120 -7.229 3.533 10.513 1.00 4.24 H new ATOM 0 HD2 ARG A 120 -8.560 5.036 11.744 1.00 5.00 H new ATOM 0 HD3 ARG A 120 -10.037 4.567 10.926 1.00 5.00 H new ATOM 0 HE ARG A 120 -8.646 2.664 12.768 1.00 6.09 H new ATOM 0 HH11 ARG A 120 -11.667 4.275 11.855 1.00 6.82 H new ATOM 0 HH12 ARG A 120 -12.543 3.483 13.170 1.00 6.82 H new ATOM 0 HH21 ARG A 120 -9.816 1.783 14.384 1.00 8.18 H new ATOM 0 HH22 ARG A 120 -11.541 2.134 14.536 1.00 8.18 H new