USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 926 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 HIS : no HD1:sc= -0.5 K(o=1.3,f=-2!) USER MOD Set 1.2: A 48 THR OG1 : rot 85:sc= 0.941 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.823 K(o=1.3,f=-2.6!) USER MOD Single : A 11 SER OG : rot -28:sc= -0.0561 USER MOD Single : A 15 ASN : amide:sc= -0.404 K(o=-0.4,f=-1.1) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 24 ASN : amide:sc= 0.705 K(o=0.7,f=-5.3!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.745 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -145:sc= 0.56 (180deg=-2.12!) USER MOD Single : A 57 LYS NZ :NH3+ 131:sc= 0.953 (180deg=0.144!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -170:sc= -0.039 (180deg=-0.159) USER MOD Single : A 72 LYS NZ :NH3+ 142:sc= 0.474! (180deg=-0.169!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= -0.0358 (180deg=-0.0358) USER MOD Single : A 90 LYS NZ :NH3+ 176:sc= 0.479 (180deg=0.374) USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= 0.956 (180deg=0.704) USER MOD Single : A 109 LYS NZ :NH3+ -143:sc= -0.0606 (180deg=-1.34!) USER MOD Single : A 112 LYS NZ :NH3+ -149:sc= 0.501 (180deg=-0.646!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.052 2.354 7.380 1.00 1.73 N ATOM 56 CA GLU A 5 8.956 0.982 6.892 1.00 1.11 C ATOM 57 C GLU A 5 7.478 0.641 6.649 1.00 1.09 C ATOM 58 O GLU A 5 6.611 1.510 6.794 1.00 1.33 O ATOM 59 CB GLU A 5 9.671 0.034 7.877 1.00 2.56 C ATOM 60 CG GLU A 5 10.680 -0.885 7.171 1.00 4.18 C ATOM 61 CD GLU A 5 10.201 -2.330 7.097 1.00 6.16 C ATOM 62 OE1 GLU A 5 9.102 -2.550 6.543 1.00 7.19 O ATOM 63 OE2 GLU A 5 10.950 -3.195 7.587 1.00 7.20 O ATOM 0 HA GLU A 5 9.464 0.860 5.935 1.00 1.11 H new ATOM 0 HB2 GLU A 5 10.187 0.623 8.635 1.00 2.56 H new ATOM 0 HB3 GLU A 5 8.930 -0.574 8.396 1.00 2.56 H new ATOM 0 HG2 GLU A 5 10.861 -0.514 6.162 1.00 4.18 H new ATOM 0 HG3 GLU A 5 11.632 -0.848 7.700 1.00 4.18 H new ATOM 70 N GLY A 6 7.181 -0.575 6.200 1.00 1.18 N ATOM 71 CA GLY A 6 5.824 -0.997 5.873 1.00 1.28 C ATOM 72 C GLY A 6 5.105 -1.656 7.043 1.00 0.77 C ATOM 73 O GLY A 6 5.663 -1.882 8.112 1.00 1.31 O ATOM 0 H GLY A 6 7.882 -1.301 6.052 1.00 1.18 H new ATOM 0 HA2 GLY A 6 5.250 -0.131 5.543 1.00 1.28 H new ATOM 0 HA3 GLY A 6 5.858 -1.694 5.036 1.00 1.28 H new ATOM 77 N TRP A 7 3.840 -2.004 6.806 1.00 0.76 N ATOM 78 CA TRP A 7 3.057 -2.856 7.699 1.00 0.82 C ATOM 79 C TRP A 7 1.896 -3.534 6.943 1.00 0.71 C ATOM 80 O TRP A 7 1.380 -2.992 5.965 1.00 0.62 O ATOM 81 CB TRP A 7 2.531 -2.010 8.872 1.00 1.41 C ATOM 82 CG TRP A 7 2.396 -2.704 10.190 1.00 1.35 C ATOM 83 CD1 TRP A 7 1.330 -3.412 10.624 1.00 1.75 C ATOM 84 CD2 TRP A 7 3.354 -2.718 11.293 1.00 3.12 C ATOM 85 NE1 TRP A 7 1.545 -3.842 11.918 1.00 3.62 N ATOM 86 CE2 TRP A 7 2.774 -3.418 12.395 1.00 4.57 C ATOM 87 CE3 TRP A 7 4.652 -2.189 11.472 1.00 3.80 C ATOM 88 CZ2 TRP A 7 3.444 -3.549 13.623 1.00 6.53 C ATOM 89 CZ3 TRP A 7 5.344 -2.355 12.684 1.00 5.78 C ATOM 90 CH2 TRP A 7 4.742 -3.026 13.762 1.00 7.14 C ATOM 0 H TRP A 7 3.326 -1.699 5.980 1.00 0.76 H new ATOM 0 HA TRP A 7 3.696 -3.649 8.087 1.00 0.82 H new ATOM 0 HB2 TRP A 7 3.197 -1.157 9.003 1.00 1.41 H new ATOM 0 HB3 TRP A 7 1.555 -1.612 8.595 1.00 1.41 H new ATOM 0 HD1 TRP A 7 0.441 -3.612 10.044 1.00 1.75 H new ATOM 0 HE1 TRP A 7 0.882 -4.401 12.455 1.00 3.62 H new ATOM 0 HE3 TRP A 7 5.120 -1.648 10.663 1.00 3.80 H new ATOM 0 HZ2 TRP A 7 2.966 -4.047 14.453 1.00 6.53 H new ATOM 0 HZ3 TRP A 7 6.345 -1.964 12.788 1.00 5.78 H new ATOM 0 HH2 TRP A 7 5.275 -3.140 14.695 1.00 7.14 H new ATOM 101 N VAL A 8 1.416 -4.676 7.427 1.00 1.06 N ATOM 102 CA VAL A 8 0.122 -5.281 7.070 1.00 1.25 C ATOM 103 C VAL A 8 -0.593 -5.592 8.382 1.00 1.36 C ATOM 104 O VAL A 8 0.044 -6.051 9.328 1.00 1.45 O ATOM 105 CB VAL A 8 0.306 -6.569 6.229 1.00 1.25 C ATOM 106 CG1 VAL A 8 -1.028 -7.274 5.926 1.00 1.62 C ATOM 107 CG2 VAL A 8 1.036 -6.294 4.904 1.00 1.43 C ATOM 0 H VAL A 8 1.934 -5.233 8.107 1.00 1.06 H new ATOM 0 HA VAL A 8 -0.460 -4.595 6.455 1.00 1.25 H new ATOM 0 HB VAL A 8 0.916 -7.229 6.845 1.00 1.25 H new ATOM 0 HG11 VAL A 8 -0.840 -8.170 5.334 1.00 1.62 H new ATOM 0 HG12 VAL A 8 -1.513 -7.552 6.862 1.00 1.62 H new ATOM 0 HG13 VAL A 8 -1.677 -6.600 5.367 1.00 1.62 H new ATOM 0 HG21 VAL A 8 1.143 -7.225 4.347 1.00 1.43 H new ATOM 0 HG22 VAL A 8 0.461 -5.582 4.313 1.00 1.43 H new ATOM 0 HG23 VAL A 8 2.023 -5.880 5.111 1.00 1.43 H new ATOM 117 N ARG A 9 -1.898 -5.311 8.480 1.00 1.63 N ATOM 118 CA ARG A 9 -2.623 -5.518 9.744 1.00 1.90 C ATOM 119 C ARG A 9 -2.895 -7.020 9.967 1.00 1.70 C ATOM 120 O ARG A 9 -2.373 -7.605 10.906 1.00 2.69 O ATOM 121 CB ARG A 9 -3.887 -4.639 9.823 1.00 2.52 C ATOM 122 CG ARG A 9 -3.633 -3.130 9.596 1.00 2.49 C ATOM 123 CD ARG A 9 -2.749 -2.428 10.642 1.00 4.26 C ATOM 124 NE ARG A 9 -3.510 -1.959 11.814 1.00 4.66 N ATOM 125 CZ ARG A 9 -4.072 -0.776 12.033 1.00 5.45 C ATOM 126 NH1 ARG A 9 -4.148 0.145 11.096 1.00 6.16 N ATOM 127 NH2 ARG A 9 -4.576 -0.516 13.218 1.00 6.04 N ATOM 0 H ARG A 9 -2.467 -4.946 7.716 1.00 1.63 H new ATOM 0 HA ARG A 9 -1.994 -5.190 10.572 1.00 1.90 H new ATOM 0 HB2 ARG A 9 -4.605 -4.989 9.082 1.00 2.52 H new ATOM 0 HB3 ARG A 9 -4.348 -4.774 10.802 1.00 2.52 H new ATOM 0 HG2 ARG A 9 -3.172 -3.003 8.616 1.00 2.49 H new ATOM 0 HG3 ARG A 9 -4.596 -2.621 9.563 1.00 2.49 H new ATOM 0 HD2 ARG A 9 -1.970 -3.115 10.972 1.00 4.26 H new ATOM 0 HD3 ARG A 9 -2.249 -1.579 10.176 1.00 4.26 H new ATOM 0 HE ARG A 9 -3.621 -2.641 12.564 1.00 4.66 H new ATOM 0 HH11 ARG A 9 -3.768 -0.040 10.167 1.00 6.16 H new ATOM 0 HH12 ARG A 9 -4.587 1.043 11.298 1.00 6.16 H new ATOM 0 HH21 ARG A 9 -4.533 -1.219 13.956 1.00 6.04 H new ATOM 0 HH22 ARG A 9 -5.011 0.389 13.400 1.00 6.04 H new ATOM 141 N PHE A 10 -3.665 -7.674 9.085 1.00 0.97 N ATOM 142 CA PHE A 10 -3.973 -9.114 9.156 1.00 0.84 C ATOM 143 C PHE A 10 -4.711 -9.581 7.894 1.00 1.13 C ATOM 144 O PHE A 10 -5.451 -8.806 7.289 1.00 1.55 O ATOM 145 CB PHE A 10 -4.789 -9.432 10.424 1.00 1.33 C ATOM 146 CG PHE A 10 -5.159 -10.894 10.565 1.00 1.52 C ATOM 147 CD1 PHE A 10 -4.280 -11.788 11.203 1.00 1.98 C ATOM 148 CD2 PHE A 10 -6.349 -11.374 9.992 1.00 2.62 C ATOM 149 CE1 PHE A 10 -4.583 -13.161 11.248 1.00 2.27 C ATOM 150 CE2 PHE A 10 -6.635 -12.748 10.007 1.00 2.97 C ATOM 151 CZ PHE A 10 -5.753 -13.643 10.635 1.00 2.35 C ATOM 0 H PHE A 10 -4.100 -7.211 8.287 1.00 0.97 H new ATOM 0 HA PHE A 10 -3.032 -9.661 9.212 1.00 0.84 H new ATOM 0 HB2 PHE A 10 -4.216 -9.126 11.299 1.00 1.33 H new ATOM 0 HB3 PHE A 10 -5.701 -8.836 10.416 1.00 1.33 H new ATOM 0 HD1 PHE A 10 -3.372 -11.420 11.658 1.00 1.98 H new ATOM 0 HD2 PHE A 10 -7.045 -10.684 9.539 1.00 2.62 H new ATOM 0 HE1 PHE A 10 -3.917 -13.845 11.753 1.00 2.27 H new ATOM 0 HE2 PHE A 10 -7.534 -13.117 9.535 1.00 2.97 H new ATOM 0 HZ PHE A 10 -5.973 -14.700 10.647 1.00 2.35 H new ATOM 161 N SER A 11 -4.530 -10.847 7.512 1.00 1.31 N ATOM 162 CA SER A 11 -5.133 -11.432 6.312 1.00 2.00 C ATOM 163 C SER A 11 -5.717 -12.834 6.573 1.00 1.22 C ATOM 164 O SER A 11 -4.943 -13.772 6.780 1.00 1.44 O ATOM 165 CB SER A 11 -4.071 -11.548 5.210 1.00 3.40 C ATOM 166 OG SER A 11 -3.317 -10.363 5.034 1.00 4.74 O ATOM 0 H SER A 11 -3.952 -11.505 8.035 1.00 1.31 H new ATOM 0 HA SER A 11 -5.947 -10.774 6.008 1.00 2.00 H new ATOM 0 HB2 SER A 11 -3.395 -12.368 5.451 1.00 3.40 H new ATOM 0 HB3 SER A 11 -4.559 -11.803 4.269 1.00 3.40 H new ATOM 0 HG SER A 11 -3.859 -9.589 5.293 1.00 4.74 H new ATOM 172 N PRO A 12 -7.051 -13.019 6.513 1.00 1.20 N ATOM 173 CA PRO A 12 -7.671 -14.343 6.537 1.00 1.09 C ATOM 174 C PRO A 12 -7.686 -15.000 5.148 1.00 0.89 C ATOM 175 O PRO A 12 -7.566 -16.218 5.047 1.00 1.21 O ATOM 176 CB PRO A 12 -9.099 -14.092 7.029 1.00 1.91 C ATOM 177 CG PRO A 12 -9.423 -12.680 6.542 1.00 2.30 C ATOM 178 CD PRO A 12 -8.068 -11.972 6.524 1.00 2.07 C ATOM 0 HA PRO A 12 -7.117 -15.029 7.177 1.00 1.09 H new ATOM 0 HB2 PRO A 12 -9.795 -14.824 6.619 1.00 1.91 H new ATOM 0 HB3 PRO A 12 -9.164 -14.163 8.115 1.00 1.91 H new ATOM 0 HG2 PRO A 12 -9.878 -12.694 5.552 1.00 2.30 H new ATOM 0 HG3 PRO A 12 -10.125 -12.180 7.209 1.00 2.30 H new ATOM 0 HD2 PRO A 12 -7.976 -11.333 5.646 1.00 2.07 H new ATOM 0 HD3 PRO A 12 -7.954 -11.330 7.398 1.00 2.07 H new ATOM 186 N GLY A 13 -7.851 -14.194 4.091 1.00 1.13 N ATOM 187 CA GLY A 13 -8.327 -14.646 2.781 1.00 1.25 C ATOM 188 C GLY A 13 -9.838 -14.397 2.630 1.00 1.36 C ATOM 189 O GLY A 13 -10.552 -14.375 3.634 1.00 1.53 O ATOM 0 H GLY A 13 -7.654 -13.194 4.125 1.00 1.13 H new ATOM 0 HA2 GLY A 13 -7.787 -14.121 1.993 1.00 1.25 H new ATOM 0 HA3 GLY A 13 -8.115 -15.708 2.659 1.00 1.25 H new ATOM 193 N PRO A 14 -10.360 -14.189 1.405 1.00 1.33 N ATOM 194 CA PRO A 14 -9.659 -14.197 0.124 1.00 1.26 C ATOM 195 C PRO A 14 -8.888 -12.895 -0.156 1.00 1.04 C ATOM 196 O PRO A 14 -8.271 -12.787 -1.215 1.00 1.02 O ATOM 197 CB PRO A 14 -10.769 -14.413 -0.912 1.00 1.38 C ATOM 198 CG PRO A 14 -11.952 -13.665 -0.301 1.00 1.41 C ATOM 199 CD PRO A 14 -11.782 -13.942 1.192 1.00 1.44 C ATOM 0 HA PRO A 14 -8.893 -14.972 0.102 1.00 1.26 H new ATOM 0 HB2 PRO A 14 -10.496 -14.010 -1.887 1.00 1.38 H new ATOM 0 HB3 PRO A 14 -10.989 -15.471 -1.054 1.00 1.38 H new ATOM 0 HG2 PRO A 14 -11.916 -12.598 -0.523 1.00 1.41 H new ATOM 0 HG3 PRO A 14 -12.905 -14.037 -0.677 1.00 1.41 H new ATOM 0 HD2 PRO A 14 -12.122 -13.094 1.786 1.00 1.44 H new ATOM 0 HD3 PRO A 14 -12.376 -14.803 1.497 1.00 1.44 H new ATOM 207 N ASN A 15 -8.906 -11.911 0.754 1.00 0.96 N ATOM 208 CA ASN A 15 -8.267 -10.612 0.576 1.00 0.75 C ATOM 209 C ASN A 15 -7.665 -10.009 1.870 1.00 0.73 C ATOM 210 O ASN A 15 -7.805 -10.540 2.977 1.00 1.13 O ATOM 211 CB ASN A 15 -9.248 -9.657 -0.129 1.00 0.80 C ATOM 212 CG ASN A 15 -10.476 -9.238 0.669 1.00 1.12 C ATOM 213 OD1 ASN A 15 -10.676 -9.595 1.820 1.00 1.81 O ATOM 214 ND2 ASN A 15 -11.339 -8.456 0.046 1.00 1.53 N ATOM 0 H ASN A 15 -9.378 -12.005 1.653 1.00 0.96 H new ATOM 0 HA ASN A 15 -7.394 -10.763 -0.059 1.00 0.75 H new ATOM 0 HB2 ASN A 15 -8.703 -8.757 -0.415 1.00 0.80 H new ATOM 0 HB3 ASN A 15 -9.585 -10.132 -1.050 1.00 0.80 H new ATOM 0 HD21 ASN A 15 -12.183 -8.144 0.526 1.00 1.53 H new ATOM 0 HD22 ASN A 15 -11.161 -8.164 -0.915 1.00 1.53 H new ATOM 221 N ALA A 16 -6.949 -8.900 1.670 1.00 0.50 N ATOM 222 CA ALA A 16 -6.175 -8.097 2.624 1.00 0.48 C ATOM 223 C ALA A 16 -5.934 -6.655 2.119 1.00 0.45 C ATOM 224 O ALA A 16 -6.429 -6.273 1.062 1.00 0.46 O ATOM 225 CB ALA A 16 -4.864 -8.837 2.898 1.00 0.51 C ATOM 0 H ALA A 16 -6.890 -8.498 0.734 1.00 0.50 H new ATOM 0 HA ALA A 16 -6.738 -7.983 3.550 1.00 0.48 H new ATOM 0 HB1 ALA A 16 -4.264 -8.265 3.605 1.00 0.51 H new ATOM 0 HB2 ALA A 16 -5.081 -9.819 3.318 1.00 0.51 H new ATOM 0 HB3 ALA A 16 -4.311 -8.955 1.966 1.00 0.51 H new ATOM 231 N ALA A 17 -5.164 -5.853 2.862 1.00 0.48 N ATOM 232 CA ALA A 17 -4.721 -4.490 2.523 1.00 0.47 C ATOM 233 C ALA A 17 -3.313 -4.265 3.115 1.00 0.50 C ATOM 234 O ALA A 17 -3.081 -4.662 4.258 1.00 0.75 O ATOM 235 CB ALA A 17 -5.715 -3.497 3.132 1.00 0.58 C ATOM 0 H ALA A 17 -4.811 -6.153 3.771 1.00 0.48 H new ATOM 0 HA ALA A 17 -4.680 -4.350 1.443 1.00 0.47 H new ATOM 0 HB1 ALA A 17 -5.406 -2.480 2.893 1.00 0.58 H new ATOM 0 HB2 ALA A 17 -6.709 -3.680 2.723 1.00 0.58 H new ATOM 0 HB3 ALA A 17 -5.739 -3.624 4.214 1.00 0.58 H new ATOM 241 N ALA A 18 -2.387 -3.652 2.372 1.00 0.51 N ATOM 242 CA ALA A 18 -0.986 -3.455 2.741 1.00 0.55 C ATOM 243 C ALA A 18 -0.563 -1.978 2.682 1.00 0.55 C ATOM 244 O ALA A 18 -0.970 -1.214 1.804 1.00 0.55 O ATOM 245 CB ALA A 18 -0.109 -4.289 1.804 1.00 0.65 C ATOM 0 H ALA A 18 -2.606 -3.262 1.455 1.00 0.51 H new ATOM 0 HA ALA A 18 -0.860 -3.777 3.775 1.00 0.55 H new ATOM 0 HB1 ALA A 18 0.939 -4.151 2.068 1.00 0.65 H new ATOM 0 HB2 ALA A 18 -0.372 -5.342 1.901 1.00 0.65 H new ATOM 0 HB3 ALA A 18 -0.269 -3.968 0.775 1.00 0.65 H new ATOM 251 N TYR A 19 0.305 -1.614 3.623 1.00 0.64 N ATOM 252 CA TYR A 19 0.624 -0.241 4.039 1.00 0.62 C ATOM 253 C TYR A 19 2.145 0.039 3.996 1.00 0.64 C ATOM 254 O TYR A 19 2.773 0.286 5.023 1.00 1.02 O ATOM 255 CB TYR A 19 0.020 -0.039 5.448 1.00 0.79 C ATOM 256 CG TYR A 19 -1.465 -0.336 5.522 1.00 0.96 C ATOM 257 CD1 TYR A 19 -2.390 0.603 5.041 1.00 1.87 C ATOM 258 CD2 TYR A 19 -1.919 -1.583 6.001 1.00 2.35 C ATOM 259 CE1 TYR A 19 -3.768 0.307 5.036 1.00 2.04 C ATOM 260 CE2 TYR A 19 -3.294 -1.891 5.988 1.00 2.55 C ATOM 261 CZ TYR A 19 -4.223 -0.937 5.517 1.00 1.58 C ATOM 262 OH TYR A 19 -5.554 -1.209 5.529 1.00 1.90 O ATOM 0 H TYR A 19 0.838 -2.306 4.149 1.00 0.64 H new ATOM 0 HA TYR A 19 0.190 0.479 3.345 1.00 0.62 H new ATOM 0 HB2 TYR A 19 0.546 -0.681 6.155 1.00 0.79 H new ATOM 0 HB3 TYR A 19 0.192 0.990 5.763 1.00 0.79 H new ATOM 0 HD1 TYR A 19 -2.044 1.558 4.673 1.00 1.87 H new ATOM 0 HD2 TYR A 19 -1.210 -2.304 6.379 1.00 2.35 H new ATOM 0 HE1 TYR A 19 -4.475 1.033 4.664 1.00 2.04 H new ATOM 0 HE2 TYR A 19 -3.637 -2.854 6.337 1.00 2.55 H new ATOM 0 HH TYR A 19 -5.701 -2.108 5.889 1.00 1.90 H new ATOM 272 N LEU A 20 2.775 -0.101 2.815 1.00 1.09 N ATOM 273 CA LEU A 20 4.243 -0.008 2.633 1.00 1.11 C ATOM 274 C LEU A 20 4.825 1.424 2.735 1.00 0.95 C ATOM 275 O LEU A 20 4.167 2.388 2.342 1.00 0.83 O ATOM 276 CB LEU A 20 4.655 -0.712 1.319 1.00 1.21 C ATOM 277 CG LEU A 20 4.212 -0.032 0.001 1.00 1.09 C ATOM 278 CD1 LEU A 20 5.274 0.922 -0.562 1.00 1.78 C ATOM 279 CD2 LEU A 20 3.930 -1.088 -1.071 1.00 1.57 C ATOM 0 H LEU A 20 2.275 -0.285 1.945 1.00 1.09 H new ATOM 0 HA LEU A 20 4.689 -0.529 3.480 1.00 1.11 H new ATOM 0 HB2 LEU A 20 5.741 -0.803 1.307 1.00 1.21 H new ATOM 0 HB3 LEU A 20 4.250 -1.724 1.333 1.00 1.21 H new ATOM 0 HG LEU A 20 3.317 0.540 0.244 1.00 1.09 H new ATOM 0 HD11 LEU A 20 4.908 1.369 -1.486 1.00 1.78 H new ATOM 0 HD12 LEU A 20 5.479 1.708 0.165 1.00 1.78 H new ATOM 0 HD13 LEU A 20 6.190 0.367 -0.765 1.00 1.78 H new ATOM 0 HD21 LEU A 20 3.619 -0.597 -1.993 1.00 1.57 H new ATOM 0 HD22 LEU A 20 4.834 -1.669 -1.256 1.00 1.57 H new ATOM 0 HD23 LEU A 20 3.136 -1.751 -0.728 1.00 1.57 H new ATOM 291 N THR A 21 6.095 1.567 3.149 1.00 1.06 N ATOM 292 CA THR A 21 6.889 2.795 2.925 1.00 1.07 C ATOM 293 C THR A 21 7.542 2.764 1.543 1.00 1.20 C ATOM 294 O THR A 21 7.936 1.699 1.070 1.00 1.52 O ATOM 295 CB THR A 21 7.912 3.021 4.044 1.00 1.25 C ATOM 296 OG1 THR A 21 7.178 3.549 5.122 1.00 1.39 O ATOM 297 CG2 THR A 21 9.016 4.032 3.702 1.00 1.72 C ATOM 0 H THR A 21 6.603 0.837 3.648 1.00 1.06 H new ATOM 0 HA THR A 21 6.212 3.649 2.952 1.00 1.07 H new ATOM 0 HB THR A 21 8.414 2.074 4.243 1.00 1.25 H new ATOM 0 HG1 THR A 21 6.714 2.823 5.589 1.00 1.39 H new ATOM 0 HG21 THR A 21 9.695 4.130 4.549 1.00 1.72 H new ATOM 0 HG22 THR A 21 9.571 3.684 2.831 1.00 1.72 H new ATOM 0 HG23 THR A 21 8.567 5.001 3.483 1.00 1.72 H new ATOM 305 N LEU A 22 7.637 3.932 0.896 1.00 1.18 N ATOM 306 CA LEU A 22 8.040 4.120 -0.505 1.00 1.54 C ATOM 307 C LEU A 22 8.970 5.346 -0.663 1.00 1.42 C ATOM 308 O LEU A 22 8.668 6.456 -0.215 1.00 1.36 O ATOM 309 CB LEU A 22 6.744 4.168 -1.358 1.00 2.04 C ATOM 310 CG LEU A 22 6.689 5.105 -2.582 1.00 2.73 C ATOM 311 CD1 LEU A 22 7.576 4.606 -3.728 1.00 3.13 C ATOM 312 CD2 LEU A 22 5.236 5.191 -3.076 1.00 4.11 C ATOM 0 H LEU A 22 7.424 4.816 1.358 1.00 1.18 H new ATOM 0 HA LEU A 22 8.647 3.289 -0.865 1.00 1.54 H new ATOM 0 HB2 LEU A 22 6.543 3.156 -1.709 1.00 2.04 H new ATOM 0 HB3 LEU A 22 5.924 4.444 -0.695 1.00 2.04 H new ATOM 0 HG LEU A 22 7.058 6.083 -2.275 1.00 2.73 H new ATOM 0 HD11 LEU A 22 7.507 5.296 -4.569 1.00 3.13 H new ATOM 0 HD12 LEU A 22 8.611 4.550 -3.389 1.00 3.13 H new ATOM 0 HD13 LEU A 22 7.243 3.617 -4.042 1.00 3.13 H new ATOM 0 HD21 LEU A 22 5.185 5.851 -3.942 1.00 4.11 H new ATOM 0 HD22 LEU A 22 4.888 4.197 -3.356 1.00 4.11 H new ATOM 0 HD23 LEU A 22 4.604 5.586 -2.281 1.00 4.11 H new ATOM 324 N GLU A 23 10.103 5.132 -1.337 1.00 1.55 N ATOM 325 CA GLU A 23 11.150 6.132 -1.541 1.00 1.53 C ATOM 326 C GLU A 23 11.509 6.269 -3.023 1.00 1.59 C ATOM 327 O GLU A 23 11.583 5.288 -3.765 1.00 1.80 O ATOM 328 CB GLU A 23 12.418 5.745 -0.761 1.00 1.86 C ATOM 329 CG GLU A 23 12.156 5.556 0.736 1.00 2.30 C ATOM 330 CD GLU A 23 13.463 5.426 1.511 1.00 2.88 C ATOM 331 OE1 GLU A 23 14.063 4.336 1.469 1.00 3.86 O ATOM 332 OE2 GLU A 23 13.828 6.418 2.181 1.00 3.28 O ATOM 0 H GLU A 23 10.322 4.233 -1.767 1.00 1.55 H new ATOM 0 HA GLU A 23 10.764 7.085 -1.179 1.00 1.53 H new ATOM 0 HB2 GLU A 23 12.826 4.822 -1.174 1.00 1.86 H new ATOM 0 HB3 GLU A 23 13.174 6.518 -0.899 1.00 1.86 H new ATOM 0 HG2 GLU A 23 11.586 6.403 1.118 1.00 2.30 H new ATOM 0 HG3 GLU A 23 11.547 4.665 0.892 1.00 2.30 H new ATOM 339 N ASN A 24 11.805 7.500 -3.439 1.00 1.48 N ATOM 340 CA ASN A 24 12.550 7.787 -4.659 1.00 1.38 C ATOM 341 C ASN A 24 13.980 8.229 -4.280 1.00 1.28 C ATOM 342 O ASN A 24 14.197 9.408 -4.007 1.00 1.31 O ATOM 343 CB ASN A 24 11.815 8.876 -5.446 1.00 1.42 C ATOM 344 CG ASN A 24 12.518 9.200 -6.757 1.00 1.30 C ATOM 345 OD1 ASN A 24 13.543 8.626 -7.107 1.00 1.77 O ATOM 346 ND2 ASN A 24 11.963 10.104 -7.531 1.00 1.25 N ATOM 0 H ASN A 24 11.528 8.338 -2.927 1.00 1.48 H new ATOM 0 HA ASN A 24 12.622 6.900 -5.289 1.00 1.38 H new ATOM 0 HB2 ASN A 24 10.795 8.550 -5.651 1.00 1.42 H new ATOM 0 HB3 ASN A 24 11.745 9.778 -4.839 1.00 1.42 H new ATOM 0 HD21 ASN A 24 12.385 10.333 -8.431 1.00 1.25 H new ATOM 0 HD22 ASN A 24 11.110 10.577 -7.232 1.00 1.25 H new ATOM 353 N PRO A 25 14.970 7.318 -4.266 1.00 1.27 N ATOM 354 CA PRO A 25 16.370 7.662 -4.006 1.00 1.29 C ATOM 355 C PRO A 25 17.079 8.332 -5.198 1.00 1.31 C ATOM 356 O PRO A 25 18.233 8.742 -5.064 1.00 1.45 O ATOM 357 CB PRO A 25 17.029 6.326 -3.641 1.00 1.38 C ATOM 358 CG PRO A 25 16.218 5.306 -4.442 1.00 1.40 C ATOM 359 CD PRO A 25 14.805 5.873 -4.365 1.00 1.33 C ATOM 0 HA PRO A 25 16.443 8.407 -3.214 1.00 1.29 H new ATOM 0 HB2 PRO A 25 18.083 6.308 -3.917 1.00 1.38 H new ATOM 0 HB3 PRO A 25 16.977 6.130 -2.570 1.00 1.38 H new ATOM 0 HG2 PRO A 25 16.568 5.228 -5.471 1.00 1.40 H new ATOM 0 HG3 PRO A 25 16.279 4.308 -4.008 1.00 1.40 H new ATOM 0 HD2 PRO A 25 14.225 5.604 -5.248 1.00 1.33 H new ATOM 0 HD3 PRO A 25 14.271 5.479 -3.501 1.00 1.33 H new ATOM 367 N GLY A 26 16.425 8.449 -6.364 1.00 1.22 N ATOM 368 CA GLY A 26 16.998 9.010 -7.578 1.00 1.27 C ATOM 369 C GLY A 26 16.874 10.526 -7.652 1.00 1.10 C ATOM 370 O GLY A 26 16.271 11.185 -6.812 1.00 1.27 O ATOM 0 H GLY A 26 15.458 8.146 -6.482 1.00 1.22 H new ATOM 0 HA2 GLY A 26 18.051 8.734 -7.637 1.00 1.27 H new ATOM 0 HA3 GLY A 26 16.504 8.568 -8.444 1.00 1.27 H new ATOM 374 N ASP A 27 17.495 11.057 -8.694 1.00 1.18 N ATOM 375 CA ASP A 27 17.669 12.470 -9.019 1.00 1.49 C ATOM 376 C ASP A 27 16.655 12.945 -10.077 1.00 1.49 C ATOM 377 O ASP A 27 16.584 14.119 -10.434 1.00 1.73 O ATOM 378 CB ASP A 27 19.108 12.573 -9.529 1.00 1.93 C ATOM 379 CG ASP A 27 20.097 12.235 -8.410 1.00 2.36 C ATOM 380 OD1 ASP A 27 20.431 13.132 -7.610 1.00 2.63 O ATOM 381 OD2 ASP A 27 20.385 11.032 -8.210 1.00 3.41 O ATOM 0 H ASP A 27 17.929 10.460 -9.398 1.00 1.18 H new ATOM 0 HA ASP A 27 17.492 13.111 -8.155 1.00 1.49 H new ATOM 0 HB2 ASP A 27 19.253 11.893 -10.368 1.00 1.93 H new ATOM 0 HB3 ASP A 27 19.298 13.581 -9.899 1.00 1.93 H new ATOM 386 N LEU A 28 15.835 12.000 -10.536 1.00 1.31 N ATOM 387 CA LEU A 28 14.726 12.138 -11.471 1.00 1.34 C ATOM 388 C LEU A 28 13.420 11.638 -10.819 1.00 1.26 C ATOM 389 O LEU A 28 13.480 10.864 -9.857 1.00 1.19 O ATOM 390 CB LEU A 28 15.133 11.415 -12.772 1.00 1.45 C ATOM 391 CG LEU A 28 15.369 9.888 -12.680 1.00 2.19 C ATOM 392 CD1 LEU A 28 14.073 9.071 -12.797 1.00 2.73 C ATOM 393 CD2 LEU A 28 16.316 9.448 -13.809 1.00 3.14 C ATOM 0 H LEU A 28 15.943 11.032 -10.233 1.00 1.31 H new ATOM 0 HA LEU A 28 14.517 13.176 -11.730 1.00 1.34 H new ATOM 0 HB2 LEU A 28 14.357 11.594 -13.517 1.00 1.45 H new ATOM 0 HB3 LEU A 28 16.047 11.878 -13.146 1.00 1.45 H new ATOM 0 HG LEU A 28 15.799 9.697 -11.697 1.00 2.19 H new ATOM 0 HD11 LEU A 28 14.305 8.008 -12.725 1.00 2.73 H new ATOM 0 HD12 LEU A 28 13.393 9.349 -11.992 1.00 2.73 H new ATOM 0 HD13 LEU A 28 13.600 9.275 -13.758 1.00 2.73 H new ATOM 0 HD21 LEU A 28 16.483 8.373 -13.745 1.00 3.14 H new ATOM 0 HD22 LEU A 28 15.869 9.689 -14.773 1.00 3.14 H new ATOM 0 HD23 LEU A 28 17.268 9.970 -13.709 1.00 3.14 H new ATOM 405 N PRO A 29 12.235 12.066 -11.295 1.00 1.34 N ATOM 406 CA PRO A 29 10.968 11.755 -10.643 1.00 1.33 C ATOM 407 C PRO A 29 10.527 10.317 -10.940 1.00 1.30 C ATOM 408 O PRO A 29 10.705 9.810 -12.049 1.00 1.37 O ATOM 409 CB PRO A 29 9.974 12.791 -11.172 1.00 1.48 C ATOM 410 CG PRO A 29 10.503 13.107 -12.570 1.00 1.57 C ATOM 411 CD PRO A 29 12.020 12.926 -12.447 1.00 1.46 C ATOM 0 HA PRO A 29 11.043 11.807 -9.557 1.00 1.33 H new ATOM 0 HB2 PRO A 29 8.960 12.394 -11.206 1.00 1.48 H new ATOM 0 HB3 PRO A 29 9.947 13.680 -10.542 1.00 1.48 H new ATOM 0 HG2 PRO A 29 10.081 12.435 -13.317 1.00 1.57 H new ATOM 0 HG3 PRO A 29 10.246 14.122 -12.873 1.00 1.57 H new ATOM 0 HD2 PRO A 29 12.433 12.477 -13.350 1.00 1.46 H new ATOM 0 HD3 PRO A 29 12.517 13.887 -12.313 1.00 1.46 H new ATOM 419 N LEU A 30 9.921 9.677 -9.934 1.00 1.25 N ATOM 420 CA LEU A 30 9.294 8.358 -10.016 1.00 1.20 C ATOM 421 C LEU A 30 7.777 8.494 -9.868 1.00 1.06 C ATOM 422 O LEU A 30 7.255 9.407 -9.232 1.00 1.14 O ATOM 423 CB LEU A 30 9.851 7.421 -8.919 1.00 1.31 C ATOM 424 CG LEU A 30 11.071 6.550 -9.297 1.00 1.52 C ATOM 425 CD1 LEU A 30 12.184 7.286 -10.056 1.00 3.02 C ATOM 426 CD2 LEU A 30 11.659 5.838 -8.072 1.00 1.56 C ATOM 0 H LEU A 30 9.852 10.084 -9.001 1.00 1.25 H new ATOM 0 HA LEU A 30 9.523 7.924 -10.989 1.00 1.20 H new ATOM 0 HB2 LEU A 30 10.123 8.031 -8.058 1.00 1.31 H new ATOM 0 HB3 LEU A 30 9.047 6.758 -8.599 1.00 1.31 H new ATOM 0 HG LEU A 30 10.666 5.816 -9.993 1.00 1.52 H new ATOM 0 HD11 LEU A 30 12.995 6.592 -10.276 1.00 3.02 H new ATOM 0 HD12 LEU A 30 11.786 7.686 -10.988 1.00 3.02 H new ATOM 0 HD13 LEU A 30 12.563 8.104 -9.443 1.00 3.02 H new ATOM 0 HD21 LEU A 30 12.515 5.236 -8.377 1.00 1.56 H new ATOM 0 HD22 LEU A 30 11.980 6.579 -7.340 1.00 1.56 H new ATOM 0 HD23 LEU A 30 10.901 5.193 -7.627 1.00 1.56 H new ATOM 438 N ARG A 31 7.082 7.498 -10.404 1.00 0.88 N ATOM 439 CA ARG A 31 5.616 7.410 -10.454 1.00 0.74 C ATOM 440 C ARG A 31 5.193 5.975 -10.191 1.00 0.64 C ATOM 441 O ARG A 31 5.369 5.119 -11.057 1.00 0.64 O ATOM 442 CB ARG A 31 5.126 7.872 -11.833 1.00 0.73 C ATOM 443 CG ARG A 31 3.602 7.733 -12.024 1.00 0.83 C ATOM 444 CD ARG A 31 2.917 8.957 -12.646 1.00 0.64 C ATOM 445 NE ARG A 31 3.465 9.356 -13.957 1.00 1.67 N ATOM 446 CZ ARG A 31 4.088 10.502 -14.228 1.00 1.51 C ATOM 447 NH1 ARG A 31 4.495 11.339 -13.299 1.00 2.18 N ATOM 448 NH2 ARG A 31 4.319 10.830 -15.481 1.00 2.72 N ATOM 0 H ARG A 31 7.537 6.693 -10.835 1.00 0.88 H new ATOM 0 HA ARG A 31 5.175 8.053 -9.692 1.00 0.74 H new ATOM 0 HB2 ARG A 31 5.409 8.914 -11.979 1.00 0.73 H new ATOM 0 HB3 ARG A 31 5.635 7.292 -12.603 1.00 0.73 H new ATOM 0 HG2 ARG A 31 3.407 6.865 -12.654 1.00 0.83 H new ATOM 0 HG3 ARG A 31 3.145 7.532 -11.055 1.00 0.83 H new ATOM 0 HD2 ARG A 31 1.853 8.746 -12.758 1.00 0.64 H new ATOM 0 HD3 ARG A 31 3.004 9.797 -11.957 1.00 0.64 H new ATOM 0 HE ARG A 31 3.357 8.694 -14.726 1.00 1.67 H new ATOM 0 HH11 ARG A 31 4.338 11.124 -12.314 1.00 2.18 H new ATOM 0 HH12 ARG A 31 4.968 12.204 -13.563 1.00 2.18 H new ATOM 0 HH21 ARG A 31 4.022 10.209 -16.234 1.00 2.72 H new ATOM 0 HH22 ARG A 31 4.795 11.705 -15.700 1.00 2.72 H new ATOM 462 N LEU A 32 4.680 5.688 -9.002 1.00 0.64 N ATOM 463 CA LEU A 32 4.291 4.353 -8.545 1.00 0.58 C ATOM 464 C LEU A 32 2.865 4.076 -9.038 1.00 0.55 C ATOM 465 O LEU A 32 1.936 4.727 -8.586 1.00 0.64 O ATOM 466 CB LEU A 32 4.411 4.356 -7.008 1.00 0.61 C ATOM 467 CG LEU A 32 4.385 2.990 -6.296 1.00 0.77 C ATOM 468 CD1 LEU A 32 3.221 2.102 -6.709 1.00 2.03 C ATOM 469 CD2 LEU A 32 5.681 2.200 -6.507 1.00 2.52 C ATOM 0 H LEU A 32 4.515 6.407 -8.297 1.00 0.64 H new ATOM 0 HA LEU A 32 4.925 3.559 -8.938 1.00 0.58 H new ATOM 0 HB2 LEU A 32 5.342 4.857 -6.743 1.00 0.61 H new ATOM 0 HB3 LEU A 32 3.598 4.961 -6.607 1.00 0.61 H new ATOM 0 HG LEU A 32 4.267 3.247 -5.243 1.00 0.77 H new ATOM 0 HD11 LEU A 32 3.272 1.159 -6.165 1.00 2.03 H new ATOM 0 HD12 LEU A 32 2.281 2.604 -6.479 1.00 2.03 H new ATOM 0 HD13 LEU A 32 3.275 1.906 -7.780 1.00 2.03 H new ATOM 0 HD21 LEU A 32 5.614 1.245 -5.986 1.00 2.52 H new ATOM 0 HD22 LEU A 32 5.830 2.023 -7.572 1.00 2.52 H new ATOM 0 HD23 LEU A 32 6.523 2.770 -6.113 1.00 2.52 H new ATOM 481 N VAL A 33 2.677 3.114 -9.940 1.00 0.45 N ATOM 482 CA VAL A 33 1.374 2.835 -10.582 1.00 0.39 C ATOM 483 C VAL A 33 0.691 1.580 -10.002 1.00 0.38 C ATOM 484 O VAL A 33 -0.532 1.475 -10.028 1.00 0.46 O ATOM 485 CB VAL A 33 1.520 2.708 -12.123 1.00 0.40 C ATOM 486 CG1 VAL A 33 2.089 3.997 -12.748 1.00 0.51 C ATOM 487 CG2 VAL A 33 2.429 1.544 -12.565 1.00 0.40 C ATOM 0 H VAL A 33 3.425 2.496 -10.255 1.00 0.45 H new ATOM 0 HA VAL A 33 0.732 3.688 -10.362 1.00 0.39 H new ATOM 0 HB VAL A 33 0.506 2.517 -12.475 1.00 0.40 H new ATOM 0 HG11 VAL A 33 2.177 3.870 -13.827 1.00 0.51 H new ATOM 0 HG12 VAL A 33 1.421 4.831 -12.534 1.00 0.51 H new ATOM 0 HG13 VAL A 33 3.073 4.203 -12.326 1.00 0.51 H new ATOM 0 HG21 VAL A 33 2.483 1.518 -13.653 1.00 0.40 H new ATOM 0 HG22 VAL A 33 3.429 1.687 -12.155 1.00 0.40 H new ATOM 0 HG23 VAL A 33 2.019 0.603 -12.199 1.00 0.40 H new ATOM 497 N GLY A 34 1.479 0.629 -9.477 1.00 0.35 N ATOM 498 CA GLY A 34 0.991 -0.592 -8.835 1.00 0.41 C ATOM 499 C GLY A 34 2.001 -1.227 -7.887 1.00 0.41 C ATOM 500 O GLY A 34 3.120 -0.757 -7.716 1.00 0.41 O ATOM 0 H GLY A 34 2.497 0.693 -9.490 1.00 0.35 H new ATOM 0 HA2 GLY A 34 0.080 -0.363 -8.282 1.00 0.41 H new ATOM 0 HA3 GLY A 34 0.723 -1.315 -9.605 1.00 0.41 H new ATOM 504 N ALA A 35 1.611 -2.362 -7.321 1.00 0.51 N ATOM 505 CA ALA A 35 2.479 -3.265 -6.578 1.00 0.48 C ATOM 506 C ALA A 35 2.379 -4.681 -7.169 1.00 0.49 C ATOM 507 O ALA A 35 1.737 -4.904 -8.200 1.00 0.59 O ATOM 508 CB ALA A 35 2.128 -3.175 -5.086 1.00 0.49 C ATOM 0 H ALA A 35 0.646 -2.690 -7.369 1.00 0.51 H new ATOM 0 HA ALA A 35 3.527 -2.980 -6.669 1.00 0.48 H new ATOM 0 HB1 ALA A 35 2.772 -3.847 -4.519 1.00 0.49 H new ATOM 0 HB2 ALA A 35 2.276 -2.153 -4.738 1.00 0.49 H new ATOM 0 HB3 ALA A 35 1.086 -3.461 -4.939 1.00 0.49 H new ATOM 514 N ARG A 36 3.037 -5.629 -6.518 1.00 0.47 N ATOM 515 CA ARG A 36 3.017 -7.074 -6.764 1.00 0.48 C ATOM 516 C ARG A 36 3.403 -7.755 -5.443 1.00 0.44 C ATOM 517 O ARG A 36 3.915 -7.107 -4.535 1.00 0.49 O ATOM 518 CB ARG A 36 4.072 -7.401 -7.822 1.00 0.69 C ATOM 519 CG ARG A 36 3.689 -7.992 -9.174 1.00 1.28 C ATOM 520 CD ARG A 36 5.075 -8.225 -9.791 1.00 2.35 C ATOM 521 NE ARG A 36 5.094 -8.965 -11.050 1.00 3.10 N ATOM 522 CZ ARG A 36 6.231 -9.431 -11.563 1.00 4.31 C ATOM 523 NH1 ARG A 36 7.400 -9.237 -10.971 1.00 5.07 N ATOM 524 NH2 ARG A 36 6.202 -10.110 -12.692 1.00 5.26 N ATOM 0 H ARG A 36 3.651 -5.394 -5.738 1.00 0.47 H new ATOM 0 HA ARG A 36 2.039 -7.410 -7.109 1.00 0.48 H new ATOM 0 HB2 ARG A 36 4.616 -6.478 -8.023 1.00 0.69 H new ATOM 0 HB3 ARG A 36 4.777 -8.093 -7.362 1.00 0.69 H new ATOM 0 HG2 ARG A 36 3.121 -8.917 -9.074 1.00 1.28 H new ATOM 0 HG3 ARG A 36 3.083 -7.307 -9.767 1.00 1.28 H new ATOM 0 HD2 ARG A 36 5.547 -7.256 -9.954 1.00 2.35 H new ATOM 0 HD3 ARG A 36 5.689 -8.761 -9.067 1.00 2.35 H new ATOM 0 HE ARG A 36 4.218 -9.128 -11.547 1.00 3.10 H new ATOM 0 HH11 ARG A 36 7.448 -8.717 -10.095 1.00 5.07 H new ATOM 0 HH12 ARG A 36 8.252 -9.608 -11.391 1.00 5.07 H new ATOM 0 HH21 ARG A 36 5.314 -10.275 -13.165 1.00 5.26 H new ATOM 0 HH22 ARG A 36 7.068 -10.471 -13.093 1.00 5.26 H new ATOM 538 N THR A 37 3.234 -9.071 -5.350 1.00 0.51 N ATOM 539 CA THR A 37 3.560 -9.893 -4.175 1.00 0.56 C ATOM 540 C THR A 37 3.366 -11.360 -4.544 1.00 0.73 C ATOM 541 O THR A 37 2.503 -11.636 -5.373 1.00 0.78 O ATOM 542 CB THR A 37 2.700 -9.484 -2.971 1.00 0.61 C ATOM 543 OG1 THR A 37 2.849 -10.414 -1.939 1.00 0.82 O ATOM 544 CG2 THR A 37 1.200 -9.355 -3.261 1.00 0.67 C ATOM 0 H THR A 37 2.851 -9.622 -6.119 1.00 0.51 H new ATOM 0 HA THR A 37 4.598 -9.737 -3.882 1.00 0.56 H new ATOM 0 HB THR A 37 3.064 -8.494 -2.697 1.00 0.61 H new ATOM 0 HG1 THR A 37 2.299 -10.145 -1.174 1.00 0.82 H new ATOM 0 HG21 THR A 37 0.677 -9.063 -2.350 1.00 0.67 H new ATOM 0 HG22 THR A 37 1.042 -8.598 -4.029 1.00 0.67 H new ATOM 0 HG23 THR A 37 0.813 -10.312 -3.610 1.00 0.67 H new ATOM 552 N PRO A 38 4.093 -12.317 -3.941 1.00 0.85 N ATOM 553 CA PRO A 38 3.879 -13.736 -4.215 1.00 1.00 C ATOM 554 C PRO A 38 2.615 -14.307 -3.568 1.00 1.08 C ATOM 555 O PRO A 38 2.239 -15.432 -3.882 1.00 1.21 O ATOM 556 CB PRO A 38 5.147 -14.411 -3.700 1.00 1.06 C ATOM 557 CG PRO A 38 5.639 -13.511 -2.570 1.00 0.97 C ATOM 558 CD PRO A 38 5.218 -12.118 -3.029 1.00 0.85 C ATOM 0 HA PRO A 38 3.709 -13.911 -5.277 1.00 1.00 H new ATOM 0 HB2 PRO A 38 4.940 -15.419 -3.341 1.00 1.06 H new ATOM 0 HB3 PRO A 38 5.895 -14.501 -4.488 1.00 1.06 H new ATOM 0 HG2 PRO A 38 5.183 -13.776 -1.616 1.00 0.97 H new ATOM 0 HG3 PRO A 38 6.719 -13.583 -2.438 1.00 0.97 H new ATOM 0 HD2 PRO A 38 4.927 -11.499 -2.180 1.00 0.85 H new ATOM 0 HD3 PRO A 38 6.040 -11.607 -3.530 1.00 0.85 H new ATOM 566 N VAL A 39 1.966 -13.558 -2.671 1.00 1.05 N ATOM 567 CA VAL A 39 0.859 -14.044 -1.829 1.00 1.08 C ATOM 568 C VAL A 39 -0.508 -13.393 -2.113 1.00 0.94 C ATOM 569 O VAL A 39 -1.402 -13.518 -1.282 1.00 0.98 O ATOM 570 CB VAL A 39 1.230 -13.975 -0.330 1.00 1.17 C ATOM 571 CG1 VAL A 39 2.328 -14.992 0.024 1.00 1.40 C ATOM 572 CG2 VAL A 39 1.644 -12.566 0.105 1.00 1.12 C ATOM 0 H VAL A 39 2.197 -12.579 -2.504 1.00 1.05 H new ATOM 0 HA VAL A 39 0.723 -15.088 -2.109 1.00 1.08 H new ATOM 0 HB VAL A 39 0.327 -14.235 0.223 1.00 1.17 H new ATOM 0 HG11 VAL A 39 2.565 -14.917 1.085 1.00 1.40 H new ATOM 0 HG12 VAL A 39 1.976 -15.999 -0.199 1.00 1.40 H new ATOM 0 HG13 VAL A 39 3.222 -14.782 -0.563 1.00 1.40 H new ATOM 0 HG21 VAL A 39 1.895 -12.572 1.166 1.00 1.12 H new ATOM 0 HG22 VAL A 39 2.513 -12.248 -0.471 1.00 1.12 H new ATOM 0 HG23 VAL A 39 0.820 -11.874 -0.069 1.00 1.12 H new ATOM 582 N ALA A 40 -0.707 -12.765 -3.283 1.00 0.84 N ATOM 583 CA ALA A 40 -2.004 -12.229 -3.760 1.00 0.72 C ATOM 584 C ALA A 40 -2.046 -12.123 -5.303 1.00 0.94 C ATOM 585 O ALA A 40 -1.166 -11.523 -5.915 1.00 1.49 O ATOM 586 CB ALA A 40 -2.239 -10.852 -3.116 1.00 0.52 C ATOM 0 H ALA A 40 0.050 -12.608 -3.948 1.00 0.84 H new ATOM 0 HA ALA A 40 -2.798 -12.916 -3.467 1.00 0.72 H new ATOM 0 HB1 ALA A 40 -3.191 -10.447 -3.460 1.00 0.52 H new ATOM 0 HB2 ALA A 40 -2.260 -10.956 -2.031 1.00 0.52 H new ATOM 0 HB3 ALA A 40 -1.433 -10.175 -3.400 1.00 0.52 H new ATOM 592 N GLU A 41 -3.092 -12.681 -5.921 1.00 0.84 N ATOM 593 CA GLU A 41 -3.289 -12.754 -7.376 1.00 0.96 C ATOM 594 C GLU A 41 -3.535 -11.390 -8.046 1.00 0.93 C ATOM 595 O GLU A 41 -3.145 -11.142 -9.191 1.00 1.28 O ATOM 596 CB GLU A 41 -4.524 -13.644 -7.636 1.00 1.06 C ATOM 597 CG GLU A 41 -4.560 -14.271 -9.033 1.00 1.23 C ATOM 598 CD GLU A 41 -3.643 -15.487 -9.051 1.00 1.96 C ATOM 599 OE1 GLU A 41 -2.413 -15.308 -9.177 1.00 3.45 O ATOM 600 OE2 GLU A 41 -4.120 -16.600 -8.736 1.00 2.34 O ATOM 0 H GLU A 41 -3.857 -13.112 -5.402 1.00 0.84 H new ATOM 0 HA GLU A 41 -2.371 -13.154 -7.806 1.00 0.96 H new ATOM 0 HB2 GLU A 41 -4.548 -14.440 -6.892 1.00 1.06 H new ATOM 0 HB3 GLU A 41 -5.425 -13.047 -7.494 1.00 1.06 H new ATOM 0 HG2 GLU A 41 -5.578 -14.563 -9.289 1.00 1.23 H new ATOM 0 HG3 GLU A 41 -4.239 -13.545 -9.780 1.00 1.23 H new ATOM 607 N ARG A 42 -4.261 -10.513 -7.347 1.00 0.72 N ATOM 608 CA ARG A 42 -4.835 -9.274 -7.873 1.00 0.89 C ATOM 609 C ARG A 42 -4.696 -8.185 -6.817 1.00 0.99 C ATOM 610 O ARG A 42 -5.580 -7.957 -6.000 1.00 1.87 O ATOM 611 CB ARG A 42 -6.311 -9.505 -8.250 1.00 0.98 C ATOM 612 CG ARG A 42 -6.503 -10.356 -9.517 1.00 1.48 C ATOM 613 CD ARG A 42 -6.585 -9.556 -10.826 1.00 2.12 C ATOM 614 NE ARG A 42 -5.433 -8.673 -11.105 1.00 3.44 N ATOM 615 CZ ARG A 42 -4.309 -9.020 -11.726 1.00 4.92 C ATOM 616 NH1 ARG A 42 -3.893 -10.266 -11.777 1.00 5.64 N ATOM 617 NH2 ARG A 42 -3.580 -8.091 -12.312 1.00 6.39 N ATOM 0 H ARG A 42 -4.473 -10.654 -6.359 1.00 0.72 H new ATOM 0 HA ARG A 42 -4.306 -8.960 -8.773 1.00 0.89 H new ATOM 0 HB2 ARG A 42 -6.817 -9.992 -7.416 1.00 0.98 H new ATOM 0 HB3 ARG A 42 -6.794 -8.539 -8.396 1.00 0.98 H new ATOM 0 HG2 ARG A 42 -5.677 -11.063 -9.591 1.00 1.48 H new ATOM 0 HG3 ARG A 42 -7.415 -10.942 -9.409 1.00 1.48 H new ATOM 0 HD2 ARG A 42 -6.692 -10.257 -11.654 1.00 2.12 H new ATOM 0 HD3 ARG A 42 -7.490 -8.948 -10.804 1.00 2.12 H new ATOM 0 HE ARG A 42 -5.507 -7.705 -10.791 1.00 3.44 H new ATOM 0 HH11 ARG A 42 -4.438 -11.004 -11.331 1.00 5.64 H new ATOM 0 HH12 ARG A 42 -3.026 -10.495 -12.263 1.00 5.64 H new ATOM 0 HH21 ARG A 42 -3.879 -7.116 -12.287 1.00 6.39 H new ATOM 0 HH22 ARG A 42 -2.716 -8.347 -12.791 1.00 6.39 H new ATOM 631 N VAL A 43 -3.558 -7.505 -6.852 1.00 0.49 N ATOM 632 CA VAL A 43 -3.308 -6.284 -6.071 1.00 0.46 C ATOM 633 C VAL A 43 -3.893 -5.049 -6.780 1.00 0.57 C ATOM 634 O VAL A 43 -3.775 -4.931 -8.000 1.00 0.85 O ATOM 635 CB VAL A 43 -1.810 -6.135 -5.744 1.00 0.51 C ATOM 636 CG1 VAL A 43 -0.920 -6.031 -6.990 1.00 0.68 C ATOM 637 CG2 VAL A 43 -1.513 -4.959 -4.806 1.00 0.70 C ATOM 0 H VAL A 43 -2.765 -7.784 -7.430 1.00 0.49 H new ATOM 0 HA VAL A 43 -3.826 -6.368 -5.116 1.00 0.46 H new ATOM 0 HB VAL A 43 -1.560 -7.061 -5.226 1.00 0.51 H new ATOM 0 HG11 VAL A 43 0.122 -5.928 -6.686 1.00 0.68 H new ATOM 0 HG12 VAL A 43 -1.034 -6.931 -7.595 1.00 0.68 H new ATOM 0 HG13 VAL A 43 -1.214 -5.160 -7.576 1.00 0.68 H new ATOM 0 HG21 VAL A 43 -0.441 -4.908 -4.614 1.00 0.70 H new ATOM 0 HG22 VAL A 43 -1.843 -4.030 -5.271 1.00 0.70 H new ATOM 0 HG23 VAL A 43 -2.043 -5.102 -3.865 1.00 0.70 H new ATOM 647 N GLU A 44 -4.517 -4.155 -6.008 1.00 0.47 N ATOM 648 CA GLU A 44 -5.120 -2.881 -6.431 1.00 0.43 C ATOM 649 C GLU A 44 -4.519 -1.722 -5.625 1.00 0.46 C ATOM 650 O GLU A 44 -4.121 -1.908 -4.475 1.00 0.65 O ATOM 651 CB GLU A 44 -6.633 -2.882 -6.162 1.00 0.60 C ATOM 652 CG GLU A 44 -7.433 -3.832 -7.060 1.00 1.12 C ATOM 653 CD GLU A 44 -8.912 -3.905 -6.659 1.00 1.74 C ATOM 654 OE1 GLU A 44 -9.389 -2.945 -6.004 1.00 2.52 O ATOM 655 OE2 GLU A 44 -9.550 -4.920 -7.003 1.00 2.55 O ATOM 0 H GLU A 44 -4.623 -4.309 -5.005 1.00 0.47 H new ATOM 0 HA GLU A 44 -4.923 -2.761 -7.496 1.00 0.43 H new ATOM 0 HB2 GLU A 44 -6.805 -3.154 -5.121 1.00 0.60 H new ATOM 0 HB3 GLU A 44 -7.014 -1.869 -6.294 1.00 0.60 H new ATOM 0 HG2 GLU A 44 -7.356 -3.501 -8.096 1.00 1.12 H new ATOM 0 HG3 GLU A 44 -6.996 -4.829 -7.011 1.00 1.12 H new ATOM 662 N LEU A 45 -4.492 -0.516 -6.200 1.00 0.48 N ATOM 663 CA LEU A 45 -3.995 0.700 -5.547 1.00 0.53 C ATOM 664 C LEU A 45 -5.160 1.615 -5.151 1.00 0.49 C ATOM 665 O LEU A 45 -5.921 2.081 -6.002 1.00 0.49 O ATOM 666 CB LEU A 45 -3.001 1.381 -6.502 1.00 0.74 C ATOM 667 CG LEU A 45 -2.485 2.755 -6.031 1.00 0.58 C ATOM 668 CD1 LEU A 45 -1.793 2.766 -4.664 1.00 0.61 C ATOM 669 CD2 LEU A 45 -1.490 3.269 -7.073 1.00 0.95 C ATOM 0 H LEU A 45 -4.822 -0.354 -7.152 1.00 0.48 H new ATOM 0 HA LEU A 45 -3.476 0.458 -4.619 1.00 0.53 H new ATOM 0 HB2 LEU A 45 -2.147 0.719 -6.647 1.00 0.74 H new ATOM 0 HB3 LEU A 45 -3.479 1.502 -7.474 1.00 0.74 H new ATOM 0 HG LEU A 45 -3.367 3.385 -5.922 1.00 0.58 H new ATOM 0 HD11 LEU A 45 -1.469 3.780 -4.428 1.00 0.61 H new ATOM 0 HD12 LEU A 45 -2.490 2.421 -3.900 1.00 0.61 H new ATOM 0 HD13 LEU A 45 -0.927 2.105 -4.689 1.00 0.61 H new ATOM 0 HD21 LEU A 45 -1.109 4.242 -6.763 1.00 0.95 H new ATOM 0 HD22 LEU A 45 -0.661 2.566 -7.162 1.00 0.95 H new ATOM 0 HD23 LEU A 45 -1.990 3.365 -8.037 1.00 0.95 H new ATOM 681 N HIS A 46 -5.295 1.880 -3.850 1.00 0.52 N ATOM 682 CA HIS A 46 -6.384 2.641 -3.235 1.00 0.50 C ATOM 683 C HIS A 46 -5.904 3.858 -2.425 1.00 0.53 C ATOM 684 O HIS A 46 -4.822 3.890 -1.837 1.00 0.58 O ATOM 685 CB HIS A 46 -7.172 1.724 -2.273 1.00 0.51 C ATOM 686 CG HIS A 46 -7.991 0.592 -2.836 1.00 0.48 C ATOM 687 ND1 HIS A 46 -8.696 -0.315 -2.057 1.00 0.50 N ATOM 688 CD2 HIS A 46 -8.161 0.234 -4.141 1.00 0.45 C ATOM 689 CE1 HIS A 46 -9.274 -1.188 -2.890 1.00 0.50 C ATOM 690 NE2 HIS A 46 -8.973 -0.887 -4.161 1.00 0.48 N ATOM 0 H HIS A 46 -4.615 1.554 -3.164 1.00 0.52 H new ATOM 0 HA HIS A 46 -7.000 3.005 -4.058 1.00 0.50 H new ATOM 0 HB2 HIS A 46 -6.457 1.293 -1.572 1.00 0.51 H new ATOM 0 HB3 HIS A 46 -7.844 2.358 -1.694 1.00 0.51 H new ATOM 0 HD2 HIS A 46 -7.740 0.733 -5.001 1.00 0.45 H new ATOM 0 HE1 HIS A 46 -9.894 -2.017 -2.582 1.00 0.50 H new ATOM 0 HE2 HIS A 46 -9.285 -1.391 -4.991 1.00 0.48 H new ATOM 698 N GLU A 47 -6.814 4.817 -2.306 1.00 0.52 N ATOM 699 CA GLU A 47 -6.838 5.818 -1.241 1.00 0.50 C ATOM 700 C GLU A 47 -7.865 5.450 -0.167 1.00 0.53 C ATOM 701 O GLU A 47 -8.831 4.727 -0.434 1.00 0.64 O ATOM 702 CB GLU A 47 -7.101 7.207 -1.838 1.00 0.50 C ATOM 703 CG GLU A 47 -8.565 7.460 -2.210 1.00 0.56 C ATOM 704 CD GLU A 47 -8.829 8.886 -2.682 1.00 1.11 C ATOM 705 OE1 GLU A 47 -8.125 9.402 -3.570 1.00 2.32 O ATOM 706 OE2 GLU A 47 -9.869 9.452 -2.275 1.00 1.69 O ATOM 0 H GLU A 47 -7.582 4.925 -2.969 1.00 0.52 H new ATOM 0 HA GLU A 47 -5.865 5.842 -0.751 1.00 0.50 H new ATOM 0 HB2 GLU A 47 -6.783 7.965 -1.122 1.00 0.50 H new ATOM 0 HB3 GLU A 47 -6.484 7.331 -2.728 1.00 0.50 H new ATOM 0 HG2 GLU A 47 -8.859 6.764 -2.996 1.00 0.56 H new ATOM 0 HG3 GLU A 47 -9.194 7.248 -1.346 1.00 0.56 H new ATOM 713 N THR A 48 -7.682 6.038 1.018 1.00 0.65 N ATOM 714 CA THR A 48 -8.718 6.210 2.037 1.00 0.61 C ATOM 715 C THR A 48 -8.875 7.719 2.189 1.00 0.74 C ATOM 716 O THR A 48 -7.867 8.424 2.247 1.00 0.82 O ATOM 717 CB THR A 48 -8.294 5.590 3.368 1.00 0.60 C ATOM 718 OG1 THR A 48 -7.907 4.256 3.172 1.00 0.80 O ATOM 719 CG2 THR A 48 -9.371 5.604 4.449 1.00 0.64 C ATOM 0 H THR A 48 -6.780 6.419 1.303 1.00 0.65 H new ATOM 0 HA THR A 48 -9.647 5.719 1.748 1.00 0.61 H new ATOM 0 HB THR A 48 -7.472 6.213 3.719 1.00 0.60 H new ATOM 0 HG1 THR A 48 -6.965 4.225 2.902 1.00 0.80 H new ATOM 0 HG21 THR A 48 -8.981 5.144 5.357 1.00 0.64 H new ATOM 0 HG22 THR A 48 -9.662 6.633 4.659 1.00 0.64 H new ATOM 0 HG23 THR A 48 -10.240 5.045 4.104 1.00 0.64 H new ATOM 727 N PHE A 49 -10.110 8.212 2.229 1.00 0.87 N ATOM 728 CA PHE A 49 -10.443 9.636 2.264 1.00 1.01 C ATOM 729 C PHE A 49 -11.284 10.014 3.484 1.00 1.15 C ATOM 730 O PHE A 49 -11.896 9.171 4.135 1.00 1.13 O ATOM 731 CB PHE A 49 -11.165 10.028 0.963 1.00 0.82 C ATOM 732 CG PHE A 49 -12.443 9.268 0.616 1.00 0.62 C ATOM 733 CD1 PHE A 49 -13.625 9.511 1.341 1.00 1.75 C ATOM 734 CD2 PHE A 49 -12.482 8.365 -0.468 1.00 2.00 C ATOM 735 CE1 PHE A 49 -14.831 8.894 0.974 1.00 1.90 C ATOM 736 CE2 PHE A 49 -13.693 7.751 -0.840 1.00 1.89 C ATOM 737 CZ PHE A 49 -14.873 8.033 -0.129 1.00 0.72 C ATOM 0 H PHE A 49 -10.935 7.612 2.238 1.00 0.87 H new ATOM 0 HA PHE A 49 -9.509 10.192 2.349 1.00 1.01 H new ATOM 0 HB2 PHE A 49 -11.408 11.089 1.018 1.00 0.82 H new ATOM 0 HB3 PHE A 49 -10.464 9.904 0.138 1.00 0.82 H new ATOM 0 HD1 PHE A 49 -13.604 10.180 2.189 1.00 1.75 H new ATOM 0 HD2 PHE A 49 -11.578 8.144 -1.015 1.00 2.00 H new ATOM 0 HE1 PHE A 49 -15.729 9.084 1.544 1.00 1.90 H new ATOM 0 HE2 PHE A 49 -13.716 7.063 -1.672 1.00 1.89 H new ATOM 0 HZ PHE A 49 -15.808 7.587 -0.433 1.00 0.72 H new ATOM 747 N MET A 50 -11.400 11.321 3.732 1.00 1.36 N ATOM 748 CA MET A 50 -12.343 11.879 4.709 1.00 1.51 C ATOM 749 C MET A 50 -13.691 12.225 4.063 1.00 1.14 C ATOM 750 O MET A 50 -13.752 12.586 2.885 1.00 0.89 O ATOM 751 CB MET A 50 -11.733 13.100 5.413 1.00 1.86 C ATOM 752 CG MET A 50 -11.491 14.300 4.489 1.00 3.79 C ATOM 753 SD MET A 50 -11.008 15.795 5.383 1.00 4.70 S ATOM 754 CE MET A 50 -12.644 16.490 5.729 1.00 4.39 C ATOM 0 H MET A 50 -10.839 12.028 3.258 1.00 1.36 H new ATOM 0 HA MET A 50 -12.536 11.113 5.460 1.00 1.51 H new ATOM 0 HB2 MET A 50 -12.394 13.407 6.223 1.00 1.86 H new ATOM 0 HB3 MET A 50 -10.786 12.808 5.867 1.00 1.86 H new ATOM 0 HG2 MET A 50 -10.712 14.046 3.770 1.00 3.79 H new ATOM 0 HG3 MET A 50 -12.398 14.501 3.919 1.00 3.79 H new ATOM 0 HE1 MET A 50 -12.533 17.424 6.280 1.00 4.39 H new ATOM 0 HE2 MET A 50 -13.164 16.682 4.790 1.00 4.39 H new ATOM 0 HE3 MET A 50 -13.221 15.783 6.325 1.00 4.39 H new ATOM 764 N ARG A 51 -14.780 12.136 4.834 1.00 1.36 N ATOM 765 CA ARG A 51 -16.143 12.385 4.375 1.00 1.22 C ATOM 766 C ARG A 51 -17.088 12.802 5.508 1.00 1.37 C ATOM 767 O ARG A 51 -16.938 12.393 6.659 1.00 1.68 O ATOM 768 CB ARG A 51 -16.661 11.112 3.673 1.00 1.51 C ATOM 769 CG ARG A 51 -17.316 11.369 2.314 1.00 1.34 C ATOM 770 CD ARG A 51 -16.388 12.041 1.291 1.00 3.03 C ATOM 771 NE ARG A 51 -17.015 12.131 -0.036 1.00 3.45 N ATOM 772 CZ ARG A 51 -16.373 12.337 -1.181 1.00 4.99 C ATOM 773 NH1 ARG A 51 -15.057 12.417 -1.230 1.00 6.50 N ATOM 774 NH2 ARG A 51 -17.054 12.477 -2.297 1.00 5.69 N ATOM 0 H ARG A 51 -14.732 11.882 5.821 1.00 1.36 H new ATOM 0 HA ARG A 51 -16.122 13.225 3.680 1.00 1.22 H new ATOM 0 HB2 ARG A 51 -15.829 10.421 3.538 1.00 1.51 H new ATOM 0 HB3 ARG A 51 -17.383 10.619 4.324 1.00 1.51 H new ATOM 0 HG2 ARG A 51 -17.665 10.421 1.905 1.00 1.34 H new ATOM 0 HG3 ARG A 51 -18.195 11.996 2.459 1.00 1.34 H new ATOM 0 HD2 ARG A 51 -16.127 13.041 1.638 1.00 3.03 H new ATOM 0 HD3 ARG A 51 -15.459 11.476 1.217 1.00 3.03 H new ATOM 0 HE ARG A 51 -18.029 12.026 -0.081 1.00 3.45 H new ATOM 0 HH11 ARG A 51 -14.508 12.320 -0.376 1.00 6.50 H new ATOM 0 HH12 ARG A 51 -14.589 12.576 -2.122 1.00 6.50 H new ATOM 0 HH21 ARG A 51 -18.073 12.427 -2.282 1.00 5.69 H new ATOM 0 HH22 ARG A 51 -16.564 12.635 -3.177 1.00 5.69 H new ATOM 788 N GLU A 52 -18.095 13.586 5.154 1.00 1.26 N ATOM 789 CA GLU A 52 -19.299 13.813 5.916 1.00 1.38 C ATOM 790 C GLU A 52 -20.431 13.109 5.160 1.00 1.50 C ATOM 791 O GLU A 52 -20.466 13.203 3.932 1.00 1.56 O ATOM 792 CB GLU A 52 -19.525 15.324 5.897 1.00 1.46 C ATOM 793 CG GLU A 52 -20.767 15.750 6.661 1.00 1.35 C ATOM 794 CD GLU A 52 -20.416 16.091 8.097 1.00 1.58 C ATOM 795 OE1 GLU A 52 -20.191 15.158 8.892 1.00 2.38 O ATOM 796 OE2 GLU A 52 -20.391 17.277 8.466 1.00 2.41 O ATOM 0 H GLU A 52 -18.087 14.107 4.277 1.00 1.26 H new ATOM 0 HA GLU A 52 -19.247 13.444 6.940 1.00 1.38 H new ATOM 0 HB2 GLU A 52 -18.654 15.821 6.325 1.00 1.46 H new ATOM 0 HB3 GLU A 52 -19.608 15.660 4.863 1.00 1.46 H new ATOM 0 HG2 GLU A 52 -21.221 16.614 6.176 1.00 1.35 H new ATOM 0 HG3 GLU A 52 -21.506 14.949 6.641 1.00 1.35 H new ATOM 803 N VAL A 53 -21.354 12.454 5.867 1.00 1.65 N ATOM 804 CA VAL A 53 -22.636 11.984 5.322 1.00 1.86 C ATOM 805 C VAL A 53 -23.726 12.267 6.356 1.00 1.95 C ATOM 806 O VAL A 53 -23.546 11.943 7.520 1.00 2.44 O ATOM 807 CB VAL A 53 -22.597 10.483 4.937 1.00 2.04 C ATOM 808 CG1 VAL A 53 -21.730 10.250 3.685 1.00 3.04 C ATOM 809 CG2 VAL A 53 -22.104 9.546 6.057 1.00 3.38 C ATOM 0 H VAL A 53 -21.232 12.229 6.854 1.00 1.65 H new ATOM 0 HA VAL A 53 -22.849 12.521 4.397 1.00 1.86 H new ATOM 0 HB VAL A 53 -23.638 10.229 4.740 1.00 2.04 H new ATOM 0 HG11 VAL A 53 -21.722 9.188 3.440 1.00 3.04 H new ATOM 0 HG12 VAL A 53 -22.142 10.812 2.847 1.00 3.04 H new ATOM 0 HG13 VAL A 53 -20.711 10.585 3.881 1.00 3.04 H new ATOM 0 HG21 VAL A 53 -22.110 8.517 5.699 1.00 3.38 H new ATOM 0 HG22 VAL A 53 -21.090 9.825 6.345 1.00 3.38 H new ATOM 0 HG23 VAL A 53 -22.763 9.633 6.921 1.00 3.38 H new ATOM 819 N GLU A 54 -24.809 12.955 5.970 1.00 1.84 N ATOM 820 CA GLU A 54 -25.928 13.340 6.861 1.00 1.94 C ATOM 821 C GLU A 54 -25.518 14.275 8.030 1.00 1.83 C ATOM 822 O GLU A 54 -26.207 14.339 9.047 1.00 1.89 O ATOM 823 CB GLU A 54 -26.644 12.098 7.435 1.00 2.11 C ATOM 824 CG GLU A 54 -27.131 11.036 6.442 1.00 2.66 C ATOM 825 CD GLU A 54 -27.527 9.812 7.263 1.00 3.21 C ATOM 826 OE1 GLU A 54 -28.591 9.831 7.921 1.00 3.41 O ATOM 827 OE2 GLU A 54 -26.656 8.938 7.460 1.00 4.23 O ATOM 0 H GLU A 54 -24.941 13.270 5.009 1.00 1.84 H new ATOM 0 HA GLU A 54 -26.607 13.904 6.222 1.00 1.94 H new ATOM 0 HB2 GLU A 54 -25.966 11.614 8.138 1.00 2.11 H new ATOM 0 HB3 GLU A 54 -27.505 12.442 8.008 1.00 2.11 H new ATOM 0 HG2 GLU A 54 -27.979 11.406 5.866 1.00 2.66 H new ATOM 0 HG3 GLU A 54 -26.346 10.785 5.728 1.00 2.66 H new ATOM 834 N GLY A 55 -24.369 14.959 7.940 1.00 1.76 N ATOM 835 CA GLY A 55 -23.781 15.714 9.066 1.00 1.75 C ATOM 836 C GLY A 55 -22.978 14.845 10.047 1.00 1.66 C ATOM 837 O GLY A 55 -22.650 15.287 11.152 1.00 1.79 O ATOM 0 H GLY A 55 -23.816 15.007 7.084 1.00 1.76 H new ATOM 0 HA2 GLY A 55 -23.130 16.492 8.668 1.00 1.75 H new ATOM 0 HA3 GLY A 55 -24.581 16.216 9.611 1.00 1.75 H new ATOM 841 N LYS A 56 -22.642 13.617 9.643 1.00 1.57 N ATOM 842 CA LYS A 56 -21.899 12.602 10.386 1.00 1.59 C ATOM 843 C LYS A 56 -20.534 12.398 9.706 1.00 1.55 C ATOM 844 O LYS A 56 -20.433 11.999 8.539 1.00 1.59 O ATOM 845 CB LYS A 56 -22.681 11.270 10.446 1.00 1.75 C ATOM 846 CG LYS A 56 -24.176 11.394 10.800 1.00 1.83 C ATOM 847 CD LYS A 56 -24.916 10.078 10.516 1.00 2.44 C ATOM 848 CE LYS A 56 -26.431 10.278 10.653 1.00 2.27 C ATOM 849 NZ LYS A 56 -27.175 9.119 10.107 1.00 3.05 N ATOM 0 H LYS A 56 -22.904 13.283 8.715 1.00 1.57 H new ATOM 0 HA LYS A 56 -21.756 12.939 11.413 1.00 1.59 H new ATOM 0 HB2 LYS A 56 -22.594 10.774 9.479 1.00 1.75 H new ATOM 0 HB3 LYS A 56 -22.204 10.622 11.181 1.00 1.75 H new ATOM 0 HG2 LYS A 56 -24.284 11.657 11.852 1.00 1.83 H new ATOM 0 HG3 LYS A 56 -24.625 12.201 10.221 1.00 1.83 H new ATOM 0 HD2 LYS A 56 -24.678 9.729 9.511 1.00 2.44 H new ATOM 0 HD3 LYS A 56 -24.580 9.307 11.209 1.00 2.44 H new ATOM 0 HE2 LYS A 56 -26.689 10.417 11.703 1.00 2.27 H new ATOM 0 HE3 LYS A 56 -26.730 11.185 10.128 1.00 2.27 H new ATOM 0 HZ1 LYS A 56 -28.057 9.449 9.665 1.00 3.05 H new ATOM 0 HZ2 LYS A 56 -26.591 8.636 9.395 1.00 3.05 H new ATOM 0 HZ3 LYS A 56 -27.400 8.457 10.877 1.00 3.05 H new ATOM 863 N LYS A 57 -19.476 12.679 10.461 1.00 1.59 N ATOM 864 CA LYS A 57 -18.081 12.633 10.042 1.00 1.65 C ATOM 865 C LYS A 57 -17.584 11.181 10.037 1.00 1.81 C ATOM 866 O LYS A 57 -17.771 10.457 11.010 1.00 1.83 O ATOM 867 CB LYS A 57 -17.213 13.508 10.975 1.00 1.74 C ATOM 868 CG LYS A 57 -17.609 14.998 11.040 1.00 1.99 C ATOM 869 CD LYS A 57 -18.609 15.329 12.165 1.00 2.25 C ATOM 870 CE LYS A 57 -19.148 16.761 12.051 1.00 2.54 C ATOM 871 NZ LYS A 57 -20.280 16.843 11.098 1.00 2.76 N ATOM 0 H LYS A 57 -19.576 12.961 11.436 1.00 1.59 H new ATOM 0 HA LYS A 57 -17.999 13.030 9.030 1.00 1.65 H new ATOM 0 HB2 LYS A 57 -17.259 13.093 11.982 1.00 1.74 H new ATOM 0 HB3 LYS A 57 -16.175 13.439 10.649 1.00 1.74 H new ATOM 0 HG2 LYS A 57 -16.709 15.597 11.179 1.00 1.99 H new ATOM 0 HG3 LYS A 57 -18.043 15.291 10.084 1.00 1.99 H new ATOM 0 HD2 LYS A 57 -19.440 14.625 12.130 1.00 2.25 H new ATOM 0 HD3 LYS A 57 -18.123 15.200 13.132 1.00 2.25 H new ATOM 0 HE2 LYS A 57 -19.472 17.108 13.032 1.00 2.54 H new ATOM 0 HE3 LYS A 57 -18.349 17.427 11.726 1.00 2.54 H new ATOM 0 HZ1 LYS A 57 -21.068 17.359 11.539 1.00 2.76 H new ATOM 0 HZ2 LYS A 57 -19.975 17.344 10.239 1.00 2.76 H new ATOM 0 HZ3 LYS A 57 -20.592 15.883 10.846 1.00 2.76 H new ATOM 885 N VAL A 58 -16.933 10.779 8.952 1.00 2.01 N ATOM 886 CA VAL A 58 -16.489 9.402 8.683 1.00 2.22 C ATOM 887 C VAL A 58 -15.299 9.383 7.700 1.00 2.21 C ATOM 888 O VAL A 58 -14.897 10.421 7.174 1.00 2.42 O ATOM 889 CB VAL A 58 -17.709 8.561 8.207 1.00 2.29 C ATOM 890 CG1 VAL A 58 -18.107 8.859 6.750 1.00 2.72 C ATOM 891 CG2 VAL A 58 -17.534 7.052 8.441 1.00 3.58 C ATOM 0 H VAL A 58 -16.686 11.423 8.201 1.00 2.01 H new ATOM 0 HA VAL A 58 -16.111 8.942 9.596 1.00 2.22 H new ATOM 0 HB VAL A 58 -18.537 8.882 8.839 1.00 2.29 H new ATOM 0 HG11 VAL A 58 -18.963 8.244 6.474 1.00 2.72 H new ATOM 0 HG12 VAL A 58 -18.371 9.912 6.653 1.00 2.72 H new ATOM 0 HG13 VAL A 58 -17.269 8.633 6.090 1.00 2.72 H new ATOM 0 HG21 VAL A 58 -18.419 6.524 8.087 1.00 3.58 H new ATOM 0 HG22 VAL A 58 -16.659 6.698 7.896 1.00 3.58 H new ATOM 0 HG23 VAL A 58 -17.400 6.862 9.506 1.00 3.58 H new ATOM 901 N MET A 59 -14.739 8.201 7.436 1.00 1.98 N ATOM 902 CA MET A 59 -13.839 7.944 6.300 1.00 1.68 C ATOM 903 C MET A 59 -14.505 7.078 5.223 1.00 1.41 C ATOM 904 O MET A 59 -15.520 6.431 5.468 1.00 1.62 O ATOM 905 CB MET A 59 -12.534 7.273 6.756 1.00 1.83 C ATOM 906 CG MET A 59 -11.617 8.245 7.507 1.00 2.20 C ATOM 907 SD MET A 59 -9.959 7.593 7.827 1.00 3.77 S ATOM 908 CE MET A 59 -10.339 6.474 9.197 1.00 3.72 C ATOM 0 H MET A 59 -14.899 7.376 8.015 1.00 1.98 H new ATOM 0 HA MET A 59 -13.608 8.918 5.868 1.00 1.68 H new ATOM 0 HB2 MET A 59 -12.769 6.426 7.400 1.00 1.83 H new ATOM 0 HB3 MET A 59 -12.008 6.877 5.887 1.00 1.83 H new ATOM 0 HG2 MET A 59 -11.529 9.165 6.930 1.00 2.20 H new ATOM 0 HG3 MET A 59 -12.083 8.508 8.457 1.00 2.20 H new ATOM 0 HE1 MET A 59 -9.425 5.980 9.527 1.00 3.72 H new ATOM 0 HE2 MET A 59 -10.763 7.043 10.024 1.00 3.72 H new ATOM 0 HE3 MET A 59 -11.058 5.724 8.866 1.00 3.72 H new ATOM 918 N GLY A 60 -13.914 7.063 4.030 1.00 1.07 N ATOM 919 CA GLY A 60 -14.243 6.151 2.930 1.00 0.89 C ATOM 920 C GLY A 60 -12.996 5.729 2.157 1.00 0.74 C ATOM 921 O GLY A 60 -11.889 6.062 2.558 1.00 0.78 O ATOM 0 H GLY A 60 -13.163 7.710 3.791 1.00 1.07 H new ATOM 0 HA2 GLY A 60 -14.742 5.267 3.327 1.00 0.89 H new ATOM 0 HA3 GLY A 60 -14.945 6.636 2.252 1.00 0.89 H new ATOM 925 N MET A 61 -13.146 4.953 1.085 1.00 0.66 N ATOM 926 CA MET A 61 -12.048 4.359 0.312 1.00 0.55 C ATOM 927 C MET A 61 -12.434 4.279 -1.172 1.00 0.57 C ATOM 928 O MET A 61 -13.620 4.177 -1.489 1.00 0.75 O ATOM 929 CB MET A 61 -11.771 2.978 0.936 1.00 0.57 C ATOM 930 CG MET A 61 -10.770 2.088 0.185 1.00 0.64 C ATOM 931 SD MET A 61 -10.668 0.342 0.716 1.00 0.56 S ATOM 932 CE MET A 61 -10.869 0.487 2.510 1.00 1.16 C ATOM 0 H MET A 61 -14.065 4.710 0.715 1.00 0.66 H new ATOM 0 HA MET A 61 -11.140 4.962 0.351 1.00 0.55 H new ATOM 0 HB2 MET A 61 -11.403 3.127 1.951 1.00 0.57 H new ATOM 0 HB3 MET A 61 -12.716 2.441 1.015 1.00 0.57 H new ATOM 0 HG2 MET A 61 -11.025 2.107 -0.875 1.00 0.64 H new ATOM 0 HG3 MET A 61 -9.779 2.532 0.283 1.00 0.64 H new ATOM 0 HE1 MET A 61 -10.651 -0.472 2.979 1.00 1.16 H new ATOM 0 HE2 MET A 61 -10.183 1.242 2.893 1.00 1.16 H new ATOM 0 HE3 MET A 61 -11.894 0.779 2.739 1.00 1.16 H new ATOM 942 N ARG A 62 -11.447 4.310 -2.076 1.00 0.47 N ATOM 943 CA ARG A 62 -11.628 4.115 -3.527 1.00 0.45 C ATOM 944 C ARG A 62 -10.294 3.773 -4.217 1.00 0.41 C ATOM 945 O ARG A 62 -9.245 4.130 -3.674 1.00 0.44 O ATOM 946 CB ARG A 62 -12.304 5.348 -4.177 1.00 0.54 C ATOM 947 CG ARG A 62 -11.461 6.627 -4.106 1.00 1.71 C ATOM 948 CD ARG A 62 -12.137 7.811 -4.808 1.00 1.93 C ATOM 949 NE ARG A 62 -11.380 9.037 -4.530 1.00 2.95 N ATOM 950 CZ ARG A 62 -10.982 10.001 -5.340 1.00 3.88 C ATOM 951 NH1 ARG A 62 -11.443 10.152 -6.569 1.00 4.02 N ATOM 952 NH2 ARG A 62 -10.077 10.831 -4.882 1.00 4.85 N ATOM 0 H ARG A 62 -10.475 4.475 -1.816 1.00 0.47 H new ATOM 0 HA ARG A 62 -12.294 3.264 -3.667 1.00 0.45 H new ATOM 0 HB2 ARG A 62 -12.519 5.124 -5.222 1.00 0.54 H new ATOM 0 HB3 ARG A 62 -13.260 5.527 -3.686 1.00 0.54 H new ATOM 0 HG2 ARG A 62 -11.280 6.882 -3.062 1.00 1.71 H new ATOM 0 HG3 ARG A 62 -10.488 6.444 -4.563 1.00 1.71 H new ATOM 0 HD2 ARG A 62 -12.182 7.634 -5.883 1.00 1.93 H new ATOM 0 HD3 ARG A 62 -13.164 7.917 -4.459 1.00 1.93 H new ATOM 0 HE ARG A 62 -11.119 9.165 -3.552 1.00 2.95 H new ATOM 0 HH11 ARG A 62 -12.142 9.505 -6.935 1.00 4.02 H new ATOM 0 HH12 ARG A 62 -11.100 10.915 -7.152 1.00 4.02 H new ATOM 0 HH21 ARG A 62 -9.711 10.716 -3.937 1.00 4.85 H new ATOM 0 HH22 ARG A 62 -9.738 11.592 -5.471 1.00 4.85 H new ATOM 966 N PRO A 63 -10.300 3.105 -5.388 1.00 0.41 N ATOM 967 CA PRO A 63 -9.093 2.902 -6.174 1.00 0.41 C ATOM 968 C PRO A 63 -8.632 4.202 -6.836 1.00 0.39 C ATOM 969 O PRO A 63 -9.443 5.091 -7.090 1.00 0.40 O ATOM 970 CB PRO A 63 -9.433 1.816 -7.190 1.00 0.43 C ATOM 971 CG PRO A 63 -10.926 2.031 -7.425 1.00 0.44 C ATOM 972 CD PRO A 63 -11.432 2.462 -6.046 1.00 0.47 C ATOM 0 HA PRO A 63 -8.254 2.592 -5.551 1.00 0.41 H new ATOM 0 HB2 PRO A 63 -8.858 1.928 -8.109 1.00 0.43 H new ATOM 0 HB3 PRO A 63 -9.224 0.819 -6.802 1.00 0.43 H new ATOM 0 HG2 PRO A 63 -11.110 2.796 -8.180 1.00 0.44 H new ATOM 0 HG3 PRO A 63 -11.416 1.120 -7.768 1.00 0.44 H new ATOM 0 HD2 PRO A 63 -12.273 3.149 -6.136 1.00 0.47 H new ATOM 0 HD3 PRO A 63 -11.781 1.604 -5.472 1.00 0.47 H new ATOM 980 N VAL A 64 -7.328 4.292 -7.104 1.00 0.40 N ATOM 981 CA VAL A 64 -6.647 5.461 -7.694 1.00 0.38 C ATOM 982 C VAL A 64 -5.608 4.994 -8.733 1.00 0.40 C ATOM 983 O VAL A 64 -5.161 3.847 -8.646 1.00 0.43 O ATOM 984 CB VAL A 64 -5.991 6.358 -6.611 1.00 0.37 C ATOM 985 CG1 VAL A 64 -7.037 6.928 -5.649 1.00 0.47 C ATOM 986 CG2 VAL A 64 -4.878 5.658 -5.820 1.00 0.63 C ATOM 0 H VAL A 64 -6.685 3.524 -6.910 1.00 0.40 H new ATOM 0 HA VAL A 64 -7.398 6.072 -8.195 1.00 0.38 H new ATOM 0 HB VAL A 64 -5.522 7.174 -7.161 1.00 0.37 H new ATOM 0 HG11 VAL A 64 -6.544 7.551 -4.903 1.00 0.47 H new ATOM 0 HG12 VAL A 64 -7.755 7.529 -6.207 1.00 0.47 H new ATOM 0 HG13 VAL A 64 -7.558 6.110 -5.151 1.00 0.47 H new ATOM 0 HG21 VAL A 64 -4.467 6.347 -5.082 1.00 0.63 H new ATOM 0 HG22 VAL A 64 -5.287 4.784 -5.313 1.00 0.63 H new ATOM 0 HG23 VAL A 64 -4.088 5.345 -6.503 1.00 0.63 H new ATOM 996 N PRO A 65 -5.239 5.820 -9.736 1.00 0.43 N ATOM 997 CA PRO A 65 -4.513 5.348 -10.913 1.00 0.45 C ATOM 998 C PRO A 65 -3.007 5.208 -10.676 1.00 0.43 C ATOM 999 O PRO A 65 -2.380 4.404 -11.357 1.00 0.43 O ATOM 1000 CB PRO A 65 -4.828 6.376 -12.003 1.00 0.50 C ATOM 1001 CG PRO A 65 -4.975 7.678 -11.220 1.00 0.49 C ATOM 1002 CD PRO A 65 -5.599 7.222 -9.903 1.00 0.45 C ATOM 0 HA PRO A 65 -4.826 4.341 -11.190 1.00 0.45 H new ATOM 0 HB2 PRO A 65 -4.029 6.438 -12.742 1.00 0.50 H new ATOM 0 HB3 PRO A 65 -5.741 6.125 -12.542 1.00 0.50 H new ATOM 0 HG2 PRO A 65 -4.012 8.165 -11.063 1.00 0.49 H new ATOM 0 HG3 PRO A 65 -5.612 8.392 -11.742 1.00 0.49 H new ATOM 0 HD2 PRO A 65 -5.227 7.819 -9.071 1.00 0.45 H new ATOM 0 HD3 PRO A 65 -6.682 7.344 -9.924 1.00 0.45 H new ATOM 1010 N PHE A 66 -2.445 5.969 -9.726 1.00 0.42 N ATOM 1011 CA PHE A 66 -1.014 6.008 -9.381 1.00 0.44 C ATOM 1012 C PHE A 66 -0.731 6.986 -8.230 1.00 0.50 C ATOM 1013 O PHE A 66 -1.538 7.868 -7.933 1.00 0.54 O ATOM 1014 CB PHE A 66 -0.138 6.371 -10.597 1.00 0.46 C ATOM 1015 CG PHE A 66 -0.363 7.770 -11.124 1.00 0.50 C ATOM 1016 CD1 PHE A 66 0.346 8.844 -10.564 1.00 1.64 C ATOM 1017 CD2 PHE A 66 -1.315 7.999 -12.129 1.00 1.72 C ATOM 1018 CE1 PHE A 66 0.079 10.159 -10.969 1.00 1.67 C ATOM 1019 CE2 PHE A 66 -1.570 9.316 -12.557 1.00 1.73 C ATOM 1020 CZ PHE A 66 -0.880 10.397 -11.972 1.00 0.58 C ATOM 0 H PHE A 66 -2.999 6.603 -9.151 1.00 0.42 H new ATOM 0 HA PHE A 66 -0.753 5.001 -9.055 1.00 0.44 H new ATOM 0 HB2 PHE A 66 0.911 6.263 -10.321 1.00 0.46 H new ATOM 0 HB3 PHE A 66 -0.332 5.657 -11.397 1.00 0.46 H new ATOM 0 HD1 PHE A 66 1.102 8.656 -9.816 1.00 1.64 H new ATOM 0 HD2 PHE A 66 -1.849 7.171 -12.571 1.00 1.72 H new ATOM 0 HE1 PHE A 66 0.606 10.985 -10.514 1.00 1.67 H new ATOM 0 HE2 PHE A 66 -2.296 9.498 -13.335 1.00 1.73 H new ATOM 0 HZ PHE A 66 -1.087 11.407 -12.293 1.00 0.58 H new ATOM 1030 N LEU A 67 0.465 6.867 -7.647 1.00 0.53 N ATOM 1031 CA LEU A 67 1.105 7.863 -6.791 1.00 0.59 C ATOM 1032 C LEU A 67 2.331 8.444 -7.504 1.00 0.63 C ATOM 1033 O LEU A 67 2.959 7.786 -8.333 1.00 0.62 O ATOM 1034 CB LEU A 67 1.545 7.230 -5.455 1.00 0.60 C ATOM 1035 CG LEU A 67 0.505 6.376 -4.709 1.00 0.60 C ATOM 1036 CD1 LEU A 67 1.096 5.974 -3.355 1.00 0.65 C ATOM 1037 CD2 LEU A 67 -0.820 7.100 -4.471 1.00 0.60 C ATOM 0 H LEU A 67 1.039 6.032 -7.766 1.00 0.53 H new ATOM 0 HA LEU A 67 0.386 8.656 -6.585 1.00 0.59 H new ATOM 0 HB2 LEU A 67 2.419 6.608 -5.647 1.00 0.60 H new ATOM 0 HB3 LEU A 67 1.865 8.032 -4.790 1.00 0.60 H new ATOM 0 HG LEU A 67 0.285 5.512 -5.335 1.00 0.60 H new ATOM 0 HD11 LEU A 67 0.374 5.367 -2.809 1.00 0.65 H new ATOM 0 HD12 LEU A 67 2.008 5.399 -3.513 1.00 0.65 H new ATOM 0 HD13 LEU A 67 1.327 6.870 -2.778 1.00 0.65 H new ATOM 0 HD21 LEU A 67 -1.506 6.439 -3.941 1.00 0.60 H new ATOM 0 HD22 LEU A 67 -0.644 7.995 -3.874 1.00 0.60 H new ATOM 0 HD23 LEU A 67 -1.257 7.383 -5.429 1.00 0.60 H new ATOM 1049 N GLU A 68 2.686 9.672 -7.153 1.00 0.71 N ATOM 1050 CA GLU A 68 3.881 10.357 -7.651 1.00 0.79 C ATOM 1051 C GLU A 68 4.919 10.417 -6.534 1.00 0.97 C ATOM 1052 O GLU A 68 4.542 10.539 -5.368 1.00 1.10 O ATOM 1053 CB GLU A 68 3.504 11.781 -8.102 1.00 0.81 C ATOM 1054 CG GLU A 68 4.641 12.551 -8.798 1.00 0.90 C ATOM 1055 CD GLU A 68 4.891 12.089 -10.240 1.00 0.94 C ATOM 1056 OE1 GLU A 68 4.510 10.949 -10.591 1.00 1.99 O ATOM 1057 OE2 GLU A 68 5.413 12.884 -11.049 1.00 2.12 O ATOM 0 H GLU A 68 2.142 10.236 -6.500 1.00 0.71 H new ATOM 0 HA GLU A 68 4.296 9.816 -8.501 1.00 0.79 H new ATOM 0 HB2 GLU A 68 2.654 11.720 -8.782 1.00 0.81 H new ATOM 0 HB3 GLU A 68 3.176 12.350 -7.232 1.00 0.81 H new ATOM 0 HG2 GLU A 68 4.402 13.615 -8.801 1.00 0.90 H new ATOM 0 HG3 GLU A 68 5.558 12.432 -8.221 1.00 0.90 H new ATOM 1064 N VAL A 69 6.213 10.404 -6.871 1.00 1.07 N ATOM 1065 CA VAL A 69 7.265 10.789 -5.927 1.00 1.21 C ATOM 1066 C VAL A 69 8.356 11.629 -6.618 1.00 1.21 C ATOM 1067 O VAL A 69 8.997 11.138 -7.551 1.00 1.22 O ATOM 1068 CB VAL A 69 7.907 9.567 -5.215 1.00 1.38 C ATOM 1069 CG1 VAL A 69 8.675 10.018 -3.960 1.00 1.34 C ATOM 1070 CG2 VAL A 69 6.932 8.453 -4.788 1.00 1.65 C ATOM 0 H VAL A 69 6.556 10.131 -7.792 1.00 1.07 H new ATOM 0 HA VAL A 69 6.779 11.396 -5.163 1.00 1.21 H new ATOM 0 HB VAL A 69 8.562 9.140 -5.974 1.00 1.38 H new ATOM 0 HG11 VAL A 69 9.119 9.149 -3.473 1.00 1.34 H new ATOM 0 HG12 VAL A 69 9.463 10.715 -4.246 1.00 1.34 H new ATOM 0 HG13 VAL A 69 7.989 10.509 -3.270 1.00 1.34 H new ATOM 0 HG21 VAL A 69 7.487 7.651 -4.302 1.00 1.65 H new ATOM 0 HG22 VAL A 69 6.197 8.859 -4.093 1.00 1.65 H new ATOM 0 HG23 VAL A 69 6.421 8.060 -5.667 1.00 1.65 H new ATOM 1080 N PRO A 70 8.622 12.875 -6.164 1.00 1.24 N ATOM 1081 CA PRO A 70 9.706 13.701 -6.695 1.00 1.27 C ATOM 1082 C PRO A 70 11.074 13.095 -6.335 1.00 1.31 C ATOM 1083 O PRO A 70 11.134 12.228 -5.461 1.00 1.38 O ATOM 1084 CB PRO A 70 9.502 15.084 -6.063 1.00 1.31 C ATOM 1085 CG PRO A 70 8.849 14.761 -4.721 1.00 1.32 C ATOM 1086 CD PRO A 70 7.972 13.558 -5.051 1.00 1.27 C ATOM 0 HA PRO A 70 9.690 13.763 -7.783 1.00 1.27 H new ATOM 0 HB2 PRO A 70 10.447 15.611 -5.934 1.00 1.31 H new ATOM 0 HB3 PRO A 70 8.864 15.718 -6.679 1.00 1.31 H new ATOM 0 HG2 PRO A 70 9.590 14.524 -3.958 1.00 1.32 H new ATOM 0 HG3 PRO A 70 8.261 15.599 -4.345 1.00 1.32 H new ATOM 0 HD2 PRO A 70 7.878 12.897 -4.190 1.00 1.27 H new ATOM 0 HD3 PRO A 70 6.964 13.873 -5.322 1.00 1.27 H new ATOM 1094 N PRO A 71 12.177 13.521 -6.983 1.00 1.31 N ATOM 1095 CA PRO A 71 13.513 13.029 -6.667 1.00 1.31 C ATOM 1096 C PRO A 71 13.886 13.281 -5.209 1.00 1.34 C ATOM 1097 O PRO A 71 13.559 14.325 -4.645 1.00 1.36 O ATOM 1098 CB PRO A 71 14.456 13.710 -7.647 1.00 1.29 C ATOM 1099 CG PRO A 71 13.692 14.931 -8.148 1.00 1.28 C ATOM 1100 CD PRO A 71 12.235 14.494 -8.064 1.00 1.30 C ATOM 0 HA PRO A 71 13.572 11.946 -6.775 1.00 1.31 H new ATOM 0 HB2 PRO A 71 15.388 14.000 -7.161 1.00 1.29 H new ATOM 0 HB3 PRO A 71 14.719 13.044 -8.469 1.00 1.29 H new ATOM 0 HG2 PRO A 71 13.885 15.808 -7.529 1.00 1.28 H new ATOM 0 HG3 PRO A 71 13.975 15.192 -9.168 1.00 1.28 H new ATOM 0 HD2 PRO A 71 11.583 15.343 -7.862 1.00 1.30 H new ATOM 0 HD3 PRO A 71 11.903 14.054 -9.005 1.00 1.30 H new ATOM 1108 N LYS A 72 14.528 12.281 -4.592 1.00 1.38 N ATOM 1109 CA LYS A 72 14.911 12.230 -3.165 1.00 1.46 C ATOM 1110 C LYS A 72 13.709 12.195 -2.203 1.00 1.59 C ATOM 1111 O LYS A 72 13.870 12.277 -0.986 1.00 1.67 O ATOM 1112 CB LYS A 72 15.908 13.353 -2.830 1.00 1.46 C ATOM 1113 CG LYS A 72 17.033 13.500 -3.864 1.00 1.56 C ATOM 1114 CD LYS A 72 17.905 12.243 -4.029 1.00 1.50 C ATOM 1115 CE LYS A 72 18.817 12.423 -5.245 1.00 1.90 C ATOM 1116 NZ LYS A 72 19.622 11.216 -5.533 1.00 2.23 N ATOM 0 H LYS A 72 14.811 11.440 -5.095 1.00 1.38 H new ATOM 0 HA LYS A 72 15.415 11.276 -3.007 1.00 1.46 H new ATOM 0 HB2 LYS A 72 15.368 14.297 -2.755 1.00 1.46 H new ATOM 0 HB3 LYS A 72 16.347 13.158 -1.852 1.00 1.46 H new ATOM 0 HG2 LYS A 72 16.594 13.753 -4.829 1.00 1.56 H new ATOM 0 HG3 LYS A 72 17.670 14.336 -3.575 1.00 1.56 H new ATOM 0 HD2 LYS A 72 18.502 12.079 -3.132 1.00 1.50 H new ATOM 0 HD3 LYS A 72 17.275 11.363 -4.158 1.00 1.50 H new ATOM 0 HE2 LYS A 72 18.210 12.668 -6.117 1.00 1.90 H new ATOM 0 HE3 LYS A 72 19.484 13.268 -5.073 1.00 1.90 H new ATOM 0 HZ1 LYS A 72 19.696 11.086 -6.562 1.00 2.23 H new ATOM 0 HZ2 LYS A 72 20.574 11.329 -5.129 1.00 2.23 H new ATOM 0 HZ3 LYS A 72 19.163 10.384 -5.111 1.00 2.23 H new ATOM 1130 N GLY A 73 12.505 12.095 -2.764 1.00 1.69 N ATOM 1131 CA GLY A 73 11.218 12.155 -2.071 1.00 1.82 C ATOM 1132 C GLY A 73 10.816 10.855 -1.364 1.00 1.51 C ATOM 1133 O GLY A 73 11.328 9.772 -1.646 1.00 1.33 O ATOM 0 H GLY A 73 12.395 11.963 -3.769 1.00 1.69 H new ATOM 0 HA2 GLY A 73 11.253 12.958 -1.335 1.00 1.82 H new ATOM 0 HA3 GLY A 73 10.443 12.416 -2.792 1.00 1.82 H new ATOM 1137 N ARG A 74 9.835 10.997 -0.467 1.00 1.61 N ATOM 1138 CA ARG A 74 9.225 9.950 0.366 1.00 1.28 C ATOM 1139 C ARG A 74 7.702 9.982 0.210 1.00 1.52 C ATOM 1140 O ARG A 74 7.120 11.064 0.204 1.00 2.02 O ATOM 1141 CB ARG A 74 9.537 10.246 1.848 1.00 1.65 C ATOM 1142 CG ARG A 74 10.838 9.608 2.352 1.00 2.06 C ATOM 1143 CD ARG A 74 10.570 8.318 3.090 1.00 2.26 C ATOM 1144 NE ARG A 74 11.809 7.668 3.539 1.00 3.61 N ATOM 1145 CZ ARG A 74 12.036 7.083 4.704 1.00 4.01 C ATOM 1146 NH1 ARG A 74 11.202 7.128 5.713 1.00 3.52 N ATOM 1147 NH2 ARG A 74 13.135 6.383 4.840 1.00 5.62 N ATOM 0 H ARG A 74 9.415 11.910 -0.290 1.00 1.61 H new ATOM 0 HA ARG A 74 9.620 8.981 0.060 1.00 1.28 H new ATOM 0 HB2 ARG A 74 9.596 11.325 1.987 1.00 1.65 H new ATOM 0 HB3 ARG A 74 8.709 9.890 2.461 1.00 1.65 H new ATOM 0 HG2 ARG A 74 11.501 9.415 1.509 1.00 2.06 H new ATOM 0 HG3 ARG A 74 11.355 10.305 3.011 1.00 2.06 H new ATOM 0 HD2 ARG A 74 9.935 8.520 3.952 1.00 2.26 H new ATOM 0 HD3 ARG A 74 10.019 7.637 2.441 1.00 2.26 H new ATOM 0 HE ARG A 74 12.584 7.668 2.876 1.00 3.61 H new ATOM 0 HH11 ARG A 74 10.321 7.635 5.624 1.00 3.52 H new ATOM 0 HH12 ARG A 74 11.433 6.656 6.587 1.00 3.52 H new ATOM 0 HH21 ARG A 74 13.787 6.301 4.060 1.00 5.62 H new ATOM 0 HH22 ARG A 74 13.338 5.920 5.726 1.00 5.62 H new ATOM 1161 N VAL A 75 7.063 8.812 0.193 1.00 1.42 N ATOM 1162 CA VAL A 75 5.609 8.635 0.393 1.00 1.83 C ATOM 1163 C VAL A 75 5.417 7.344 1.183 1.00 1.37 C ATOM 1164 O VAL A 75 6.073 6.353 0.892 1.00 1.36 O ATOM 1165 CB VAL A 75 4.818 8.566 -0.941 1.00 2.65 C ATOM 1166 CG1 VAL A 75 3.335 8.210 -0.720 1.00 3.23 C ATOM 1167 CG2 VAL A 75 4.872 9.895 -1.712 1.00 3.26 C ATOM 0 H VAL A 75 7.550 7.930 0.036 1.00 1.42 H new ATOM 0 HA VAL A 75 5.218 9.500 0.928 1.00 1.83 H new ATOM 0 HB VAL A 75 5.302 7.781 -1.522 1.00 2.65 H new ATOM 0 HG11 VAL A 75 2.822 8.173 -1.681 1.00 3.23 H new ATOM 0 HG12 VAL A 75 3.263 7.237 -0.233 1.00 3.23 H new ATOM 0 HG13 VAL A 75 2.869 8.967 -0.089 1.00 3.23 H new ATOM 0 HG21 VAL A 75 4.306 9.801 -2.639 1.00 3.26 H new ATOM 0 HG22 VAL A 75 4.440 10.688 -1.101 1.00 3.26 H new ATOM 0 HG23 VAL A 75 5.909 10.139 -1.944 1.00 3.26 H new ATOM 1177 N GLU A 76 4.551 7.344 2.196 1.00 1.28 N ATOM 1178 CA GLU A 76 4.352 6.195 3.072 1.00 0.98 C ATOM 1179 C GLU A 76 2.848 5.894 3.150 1.00 1.15 C ATOM 1180 O GLU A 76 2.044 6.752 3.537 1.00 1.58 O ATOM 1181 CB GLU A 76 5.020 6.456 4.436 1.00 1.23 C ATOM 1182 CG GLU A 76 6.474 6.967 4.305 1.00 2.01 C ATOM 1183 CD GLU A 76 7.279 7.005 5.610 1.00 3.10 C ATOM 1184 OE1 GLU A 76 6.691 6.773 6.686 1.00 3.42 O ATOM 1185 OE2 GLU A 76 8.489 7.318 5.529 1.00 4.60 O ATOM 0 H GLU A 76 3.966 8.146 2.431 1.00 1.28 H new ATOM 0 HA GLU A 76 4.833 5.300 2.678 1.00 0.98 H new ATOM 0 HB2 GLU A 76 4.431 7.188 4.989 1.00 1.23 H new ATOM 0 HB3 GLU A 76 5.015 5.536 5.020 1.00 1.23 H new ATOM 0 HG2 GLU A 76 7.001 6.333 3.592 1.00 2.01 H new ATOM 0 HG3 GLU A 76 6.451 7.972 3.883 1.00 2.01 H new ATOM 1192 N LEU A 77 2.470 4.695 2.692 1.00 0.88 N ATOM 1193 CA LEU A 77 1.087 4.287 2.445 1.00 0.85 C ATOM 1194 C LEU A 77 0.373 3.967 3.768 1.00 1.29 C ATOM 1195 O LEU A 77 0.224 2.820 4.182 1.00 2.35 O ATOM 1196 CB LEU A 77 1.049 3.141 1.408 1.00 0.62 C ATOM 1197 CG LEU A 77 1.229 3.597 -0.061 1.00 0.64 C ATOM 1198 CD1 LEU A 77 2.690 3.646 -0.520 1.00 0.72 C ATOM 1199 CD2 LEU A 77 0.432 2.673 -0.987 1.00 0.97 C ATOM 0 H LEU A 77 3.143 3.959 2.477 1.00 0.88 H new ATOM 0 HA LEU A 77 0.526 5.111 2.004 1.00 0.85 H new ATOM 0 HB2 LEU A 77 1.832 2.423 1.651 1.00 0.62 H new ATOM 0 HB3 LEU A 77 0.097 2.618 1.499 1.00 0.62 H new ATOM 0 HG LEU A 77 0.855 4.619 -0.114 1.00 0.64 H new ATOM 0 HD11 LEU A 77 2.734 3.974 -1.559 1.00 0.72 H new ATOM 0 HD12 LEU A 77 3.245 4.346 0.105 1.00 0.72 H new ATOM 0 HD13 LEU A 77 3.132 2.653 -0.434 1.00 0.72 H new ATOM 0 HD21 LEU A 77 0.560 2.995 -2.020 1.00 0.97 H new ATOM 0 HD22 LEU A 77 0.793 1.650 -0.879 1.00 0.97 H new ATOM 0 HD23 LEU A 77 -0.624 2.715 -0.722 1.00 0.97 H new ATOM 1211 N LYS A 78 -0.038 5.024 4.464 1.00 1.02 N ATOM 1212 CA LYS A 78 -0.631 4.972 5.799 1.00 1.28 C ATOM 1213 C LYS A 78 -2.022 4.286 5.847 1.00 1.13 C ATOM 1214 O LYS A 78 -2.811 4.426 4.911 1.00 0.98 O ATOM 1215 CB LYS A 78 -0.675 6.407 6.365 1.00 1.57 C ATOM 1216 CG LYS A 78 -1.536 7.355 5.507 1.00 1.41 C ATOM 1217 CD LYS A 78 -1.703 8.757 6.106 1.00 2.20 C ATOM 1218 CE LYS A 78 -0.377 9.526 6.131 1.00 2.14 C ATOM 1219 NZ LYS A 78 -0.577 10.931 6.564 1.00 3.47 N ATOM 0 H LYS A 78 0.035 5.975 4.101 1.00 1.02 H new ATOM 0 HA LYS A 78 -0.002 4.338 6.424 1.00 1.28 H new ATOM 0 HB2 LYS A 78 -1.071 6.381 7.380 1.00 1.57 H new ATOM 0 HB3 LYS A 78 0.340 6.800 6.428 1.00 1.57 H new ATOM 0 HG2 LYS A 78 -1.085 7.444 4.519 1.00 1.41 H new ATOM 0 HG3 LYS A 78 -2.521 6.910 5.369 1.00 1.41 H new ATOM 0 HD2 LYS A 78 -2.437 9.316 5.525 1.00 2.20 H new ATOM 0 HD3 LYS A 78 -2.095 8.675 7.120 1.00 2.20 H new ATOM 0 HE2 LYS A 78 0.320 9.031 6.807 1.00 2.14 H new ATOM 0 HE3 LYS A 78 0.074 9.510 5.139 1.00 2.14 H new ATOM 0 HZ1 LYS A 78 0.338 11.426 6.571 1.00 3.47 H new ATOM 0 HZ2 LYS A 78 -1.224 11.409 5.905 1.00 3.47 H new ATOM 0 HZ3 LYS A 78 -0.985 10.945 7.520 1.00 3.47 H new ATOM 1233 N PRO A 79 -2.393 3.657 6.984 1.00 1.46 N ATOM 1234 CA PRO A 79 -3.731 3.099 7.174 1.00 1.62 C ATOM 1235 C PRO A 79 -4.836 4.160 7.175 1.00 1.38 C ATOM 1236 O PRO A 79 -5.925 3.873 6.695 1.00 2.31 O ATOM 1237 CB PRO A 79 -3.668 2.301 8.480 1.00 2.17 C ATOM 1238 CG PRO A 79 -2.541 2.974 9.261 1.00 2.23 C ATOM 1239 CD PRO A 79 -1.570 3.403 8.161 1.00 1.93 C ATOM 0 HA PRO A 79 -4.003 2.458 6.336 1.00 1.62 H new ATOM 0 HB2 PRO A 79 -4.613 2.345 9.022 1.00 2.17 H new ATOM 0 HB3 PRO A 79 -3.455 1.248 8.296 1.00 2.17 H new ATOM 0 HG2 PRO A 79 -2.902 3.827 9.836 1.00 2.23 H new ATOM 0 HG3 PRO A 79 -2.073 2.288 9.967 1.00 2.23 H new ATOM 0 HD2 PRO A 79 -1.018 4.296 8.453 1.00 1.93 H new ATOM 0 HD3 PRO A 79 -0.834 2.624 7.963 1.00 1.93 H new ATOM 1247 N GLY A 80 -4.561 5.389 7.632 1.00 0.80 N ATOM 1248 CA GLY A 80 -5.455 6.541 7.446 1.00 0.96 C ATOM 1249 C GLY A 80 -5.197 7.256 6.118 1.00 1.14 C ATOM 1250 O GLY A 80 -4.888 8.448 6.121 1.00 2.24 O ATOM 0 H GLY A 80 -3.708 5.614 8.144 1.00 0.80 H new ATOM 0 HA2 GLY A 80 -6.491 6.206 7.482 1.00 0.96 H new ATOM 0 HA3 GLY A 80 -5.318 7.243 8.269 1.00 0.96 H new ATOM 1254 N GLY A 81 -5.226 6.525 4.997 1.00 0.64 N ATOM 1255 CA GLY A 81 -4.989 7.060 3.647 1.00 0.72 C ATOM 1256 C GLY A 81 -4.628 5.999 2.612 1.00 0.82 C ATOM 1257 O GLY A 81 -5.315 4.986 2.487 1.00 1.62 O ATOM 0 H GLY A 81 -5.419 5.523 5.001 1.00 0.64 H new ATOM 0 HA2 GLY A 81 -5.883 7.587 3.315 1.00 0.72 H new ATOM 0 HA3 GLY A 81 -4.185 7.794 3.695 1.00 0.72 H new ATOM 1261 N TYR A 82 -3.583 6.258 1.824 1.00 0.65 N ATOM 1262 CA TYR A 82 -3.248 5.442 0.653 1.00 0.64 C ATOM 1263 C TYR A 82 -2.676 4.088 1.046 1.00 0.69 C ATOM 1264 O TYR A 82 -1.927 3.975 2.004 1.00 0.78 O ATOM 1265 CB TYR A 82 -2.230 6.154 -0.236 1.00 0.67 C ATOM 1266 CG TYR A 82 -2.779 7.374 -0.933 1.00 0.64 C ATOM 1267 CD1 TYR A 82 -3.488 7.212 -2.133 1.00 1.76 C ATOM 1268 CD2 TYR A 82 -2.589 8.661 -0.394 1.00 1.71 C ATOM 1269 CE1 TYR A 82 -3.984 8.335 -2.814 1.00 1.79 C ATOM 1270 CE2 TYR A 82 -3.099 9.790 -1.063 1.00 1.69 C ATOM 1271 CZ TYR A 82 -3.792 9.629 -2.286 1.00 0.69 C ATOM 1272 OH TYR A 82 -4.275 10.711 -2.955 1.00 0.76 O ATOM 0 H TYR A 82 -2.945 7.039 1.978 1.00 0.65 H new ATOM 0 HA TYR A 82 -4.180 5.290 0.109 1.00 0.64 H new ATOM 0 HB2 TYR A 82 -1.374 6.448 0.371 1.00 0.67 H new ATOM 0 HB3 TYR A 82 -1.863 5.453 -0.986 1.00 0.67 H new ATOM 0 HD1 TYR A 82 -3.652 6.222 -2.533 1.00 1.76 H new ATOM 0 HD2 TYR A 82 -2.051 8.782 0.535 1.00 1.71 H new ATOM 0 HE1 TYR A 82 -4.515 8.208 -3.746 1.00 1.79 H new ATOM 0 HE2 TYR A 82 -2.962 10.776 -0.644 1.00 1.69 H new ATOM 0 HH TYR A 82 -4.059 11.527 -2.457 1.00 0.76 H new ATOM 1282 N HIS A 83 -3.074 3.057 0.310 1.00 0.63 N ATOM 1283 CA HIS A 83 -2.722 1.660 0.575 1.00 0.61 C ATOM 1284 C HIS A 83 -2.964 0.780 -0.657 1.00 0.53 C ATOM 1285 O HIS A 83 -3.773 1.120 -1.520 1.00 0.62 O ATOM 1286 CB HIS A 83 -3.480 1.153 1.804 1.00 0.66 C ATOM 1287 CG HIS A 83 -4.965 1.137 1.613 1.00 0.64 C ATOM 1288 ND1 HIS A 83 -5.793 2.230 1.702 1.00 0.67 N ATOM 1289 CD2 HIS A 83 -5.712 0.081 1.177 1.00 0.62 C ATOM 1290 CE1 HIS A 83 -7.018 1.858 1.300 1.00 0.66 C ATOM 1291 NE2 HIS A 83 -7.012 0.553 0.993 1.00 0.64 N ATOM 0 H HIS A 83 -3.668 3.169 -0.512 1.00 0.63 H new ATOM 0 HA HIS A 83 -1.655 1.602 0.792 1.00 0.61 H new ATOM 0 HB2 HIS A 83 -3.140 0.146 2.043 1.00 0.66 H new ATOM 0 HB3 HIS A 83 -3.236 1.783 2.659 1.00 0.66 H new ATOM 0 HD1 HIS A 83 -5.524 3.161 2.018 1.00 0.67 H new ATOM 0 HD2 HIS A 83 -5.363 -0.927 1.007 1.00 0.62 H new ATOM 0 HE1 HIS A 83 -7.877 2.510 1.234 1.00 0.66 H new ATOM 1299 N PHE A 84 -2.338 -0.393 -0.706 1.00 0.40 N ATOM 1300 CA PHE A 84 -2.684 -1.425 -1.680 1.00 0.41 C ATOM 1301 C PHE A 84 -3.754 -2.349 -1.100 1.00 0.43 C ATOM 1302 O PHE A 84 -3.608 -2.802 0.030 1.00 0.53 O ATOM 1303 CB PHE A 84 -1.431 -2.228 -2.046 1.00 0.43 C ATOM 1304 CG PHE A 84 -0.466 -1.392 -2.844 1.00 0.43 C ATOM 1305 CD1 PHE A 84 -0.693 -1.202 -4.218 1.00 1.91 C ATOM 1306 CD2 PHE A 84 0.568 -0.696 -2.195 1.00 1.96 C ATOM 1307 CE1 PHE A 84 0.102 -0.298 -4.938 1.00 1.87 C ATOM 1308 CE2 PHE A 84 1.352 0.217 -2.917 1.00 2.06 C ATOM 1309 CZ PHE A 84 1.102 0.429 -4.276 1.00 0.66 C ATOM 0 H PHE A 84 -1.580 -0.654 -0.075 1.00 0.40 H new ATOM 0 HA PHE A 84 -3.079 -0.954 -2.580 1.00 0.41 H new ATOM 0 HB2 PHE A 84 -0.944 -2.583 -1.138 1.00 0.43 H new ATOM 0 HB3 PHE A 84 -1.715 -3.109 -2.621 1.00 0.43 H new ATOM 0 HD1 PHE A 84 -1.477 -1.751 -4.718 1.00 1.91 H new ATOM 0 HD2 PHE A 84 0.759 -0.863 -1.145 1.00 1.96 H new ATOM 0 HE1 PHE A 84 -0.055 -0.162 -5.998 1.00 1.87 H new ATOM 0 HE2 PHE A 84 2.148 0.755 -2.423 1.00 2.06 H new ATOM 0 HZ PHE A 84 1.684 1.158 -4.820 1.00 0.66 H new ATOM 1319 N MET A 85 -4.791 -2.702 -1.858 1.00 0.39 N ATOM 1320 CA MET A 85 -5.680 -3.830 -1.552 1.00 0.37 C ATOM 1321 C MET A 85 -5.064 -5.094 -2.143 1.00 0.37 C ATOM 1322 O MET A 85 -4.727 -5.092 -3.323 1.00 0.46 O ATOM 1323 CB MET A 85 -7.083 -3.592 -2.123 1.00 0.44 C ATOM 1324 CG MET A 85 -8.159 -4.030 -1.120 1.00 0.53 C ATOM 1325 SD MET A 85 -8.266 -2.976 0.365 1.00 0.78 S ATOM 1326 CE MET A 85 -9.193 -4.079 1.476 1.00 0.59 C ATOM 0 H MET A 85 -5.044 -2.208 -2.714 1.00 0.39 H new ATOM 0 HA MET A 85 -5.785 -3.936 -0.472 1.00 0.37 H new ATOM 0 HB2 MET A 85 -7.210 -2.536 -2.361 1.00 0.44 H new ATOM 0 HB3 MET A 85 -7.200 -4.145 -3.055 1.00 0.44 H new ATOM 0 HG2 MET A 85 -9.127 -4.033 -1.621 1.00 0.53 H new ATOM 0 HG3 MET A 85 -7.956 -5.055 -0.811 1.00 0.53 H new ATOM 0 HE1 MET A 85 -9.346 -3.585 2.435 1.00 0.59 H new ATOM 0 HE2 MET A 85 -10.160 -4.315 1.031 1.00 0.59 H new ATOM 0 HE3 MET A 85 -8.630 -5.000 1.628 1.00 0.59 H new ATOM 1336 N LEU A 86 -4.895 -6.152 -1.352 1.00 0.40 N ATOM 1337 CA LEU A 86 -4.359 -7.434 -1.819 1.00 0.41 C ATOM 1338 C LEU A 86 -5.525 -8.406 -1.958 1.00 0.44 C ATOM 1339 O LEU A 86 -6.053 -8.871 -0.951 1.00 0.51 O ATOM 1340 CB LEU A 86 -3.320 -7.965 -0.812 1.00 0.44 C ATOM 1341 CG LEU A 86 -1.877 -7.460 -1.000 1.00 0.59 C ATOM 1342 CD1 LEU A 86 -1.747 -5.939 -0.845 1.00 1.01 C ATOM 1343 CD2 LEU A 86 -0.986 -8.161 0.035 1.00 1.14 C ATOM 0 H LEU A 86 -5.128 -6.146 -0.359 1.00 0.40 H new ATOM 0 HA LEU A 86 -3.860 -7.316 -2.781 1.00 0.41 H new ATOM 0 HB2 LEU A 86 -3.649 -7.699 0.193 1.00 0.44 H new ATOM 0 HB3 LEU A 86 -3.313 -9.054 -0.868 1.00 0.44 H new ATOM 0 HG LEU A 86 -1.569 -7.695 -2.019 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -0.707 -5.646 -0.989 1.00 1.01 H new ATOM 0 HD12 LEU A 86 -2.370 -5.443 -1.589 1.00 1.01 H new ATOM 0 HD13 LEU A 86 -2.072 -5.646 0.153 1.00 1.01 H new ATOM 0 HD21 LEU A 86 0.043 -7.819 -0.079 1.00 1.14 H new ATOM 0 HD22 LEU A 86 -1.338 -7.924 1.039 1.00 1.14 H new ATOM 0 HD23 LEU A 86 -1.029 -9.239 -0.119 1.00 1.14 H new ATOM 1355 N LEU A 87 -5.939 -8.724 -3.186 1.00 0.60 N ATOM 1356 CA LEU A 87 -7.014 -9.678 -3.450 1.00 0.57 C ATOM 1357 C LEU A 87 -6.468 -10.982 -4.050 1.00 0.72 C ATOM 1358 O LEU A 87 -5.443 -11.002 -4.734 1.00 0.85 O ATOM 1359 CB LEU A 87 -8.070 -9.021 -4.366 1.00 0.70 C ATOM 1360 CG LEU A 87 -9.510 -9.360 -3.929 1.00 1.50 C ATOM 1361 CD1 LEU A 87 -10.165 -8.158 -3.233 1.00 1.80 C ATOM 1362 CD2 LEU A 87 -10.368 -9.810 -5.105 1.00 3.00 C ATOM 0 H LEU A 87 -5.533 -8.322 -4.031 1.00 0.60 H new ATOM 0 HA LEU A 87 -7.492 -9.947 -2.508 1.00 0.57 H new ATOM 0 HB2 LEU A 87 -7.934 -7.940 -4.357 1.00 0.70 H new ATOM 0 HB3 LEU A 87 -7.916 -9.353 -5.393 1.00 0.70 H new ATOM 0 HG LEU A 87 -9.444 -10.189 -3.224 1.00 1.50 H new ATOM 0 HD11 LEU A 87 -11.180 -8.420 -2.933 1.00 1.80 H new ATOM 0 HD12 LEU A 87 -9.585 -7.888 -2.351 1.00 1.80 H new ATOM 0 HD13 LEU A 87 -10.196 -7.312 -3.920 1.00 1.80 H new ATOM 0 HD21 LEU A 87 -11.374 -10.039 -4.755 1.00 3.00 H new ATOM 0 HD22 LEU A 87 -10.415 -9.013 -5.847 1.00 3.00 H new ATOM 0 HD23 LEU A 87 -9.929 -10.700 -5.556 1.00 3.00 H new ATOM 1374 N GLY A 88 -7.166 -12.090 -3.798 1.00 0.82 N ATOM 1375 CA GLY A 88 -6.838 -13.409 -4.355 1.00 1.08 C ATOM 1376 C GLY A 88 -5.611 -14.037 -3.696 1.00 1.26 C ATOM 1377 O GLY A 88 -4.725 -14.530 -4.392 1.00 2.13 O ATOM 0 H GLY A 88 -7.987 -12.100 -3.193 1.00 0.82 H new ATOM 0 HA2 GLY A 88 -7.693 -14.074 -4.231 1.00 1.08 H new ATOM 0 HA3 GLY A 88 -6.661 -13.313 -5.426 1.00 1.08 H new ATOM 1381 N LEU A 89 -5.508 -13.919 -2.370 1.00 0.77 N ATOM 1382 CA LEU A 89 -4.401 -14.440 -1.581 1.00 0.78 C ATOM 1383 C LEU A 89 -4.067 -15.901 -1.860 1.00 0.88 C ATOM 1384 O LEU A 89 -4.908 -16.738 -2.181 1.00 0.91 O ATOM 1385 CB LEU A 89 -4.589 -14.292 -0.067 1.00 0.77 C ATOM 1386 CG LEU A 89 -5.081 -12.939 0.467 1.00 0.72 C ATOM 1387 CD1 LEU A 89 -5.005 -13.003 1.989 1.00 0.79 C ATOM 1388 CD2 LEU A 89 -4.274 -11.739 -0.043 1.00 0.72 C ATOM 0 H LEU A 89 -6.213 -13.445 -1.805 1.00 0.77 H new ATOM 0 HA LEU A 89 -3.573 -13.811 -1.909 1.00 0.78 H new ATOM 0 HB2 LEU A 89 -5.294 -15.057 0.259 1.00 0.77 H new ATOM 0 HB3 LEU A 89 -3.635 -14.514 0.412 1.00 0.77 H new ATOM 0 HG LEU A 89 -6.097 -12.780 0.107 1.00 0.72 H new ATOM 0 HD11 LEU A 89 -5.347 -12.058 2.410 1.00 0.79 H new ATOM 0 HD12 LEU A 89 -5.639 -13.812 2.351 1.00 0.79 H new ATOM 0 HD13 LEU A 89 -3.975 -13.185 2.295 1.00 0.79 H new ATOM 0 HD21 LEU A 89 -4.682 -10.820 0.378 1.00 0.72 H new ATOM 0 HD22 LEU A 89 -3.232 -11.846 0.260 1.00 0.72 H new ATOM 0 HD23 LEU A 89 -4.333 -11.697 -1.131 1.00 0.72 H new ATOM 1400 N LYS A 90 -2.804 -16.201 -1.593 1.00 0.98 N ATOM 1401 CA LYS A 90 -2.262 -17.558 -1.652 1.00 1.00 C ATOM 1402 C LYS A 90 -2.156 -18.210 -0.264 1.00 1.14 C ATOM 1403 O LYS A 90 -2.191 -19.437 -0.132 1.00 1.32 O ATOM 1404 CB LYS A 90 -0.896 -17.522 -2.328 1.00 0.87 C ATOM 1405 CG LYS A 90 -0.800 -16.791 -3.684 1.00 0.89 C ATOM 1406 CD LYS A 90 -1.761 -17.254 -4.787 1.00 1.27 C ATOM 1407 CE LYS A 90 -1.357 -16.559 -6.096 1.00 1.37 C ATOM 1408 NZ LYS A 90 -1.947 -17.183 -7.302 1.00 2.06 N ATOM 0 H LYS A 90 -2.113 -15.500 -1.325 1.00 0.98 H new ATOM 0 HA LYS A 90 -2.952 -18.170 -2.232 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -0.191 -17.054 -1.641 1.00 0.87 H new ATOM 0 HB3 LYS A 90 -0.564 -18.550 -2.474 1.00 0.87 H new ATOM 0 HG2 LYS A 90 -0.969 -15.728 -3.510 1.00 0.89 H new ATOM 0 HG3 LYS A 90 0.219 -16.895 -4.055 1.00 0.89 H new ATOM 0 HD2 LYS A 90 -1.715 -18.337 -4.901 1.00 1.27 H new ATOM 0 HD3 LYS A 90 -2.789 -17.004 -4.525 1.00 1.27 H new ATOM 0 HE2 LYS A 90 -1.661 -15.513 -6.052 1.00 1.37 H new ATOM 0 HE3 LYS A 90 -0.271 -16.571 -6.185 1.00 1.37 H new ATOM 0 HZ1 LYS A 90 -1.690 -16.626 -8.142 1.00 2.06 H new ATOM 0 HZ2 LYS A 90 -1.584 -18.152 -7.404 1.00 2.06 H new ATOM 0 HZ3 LYS A 90 -2.982 -17.209 -7.208 1.00 2.06 H new ATOM 1422 N ARG A 91 -1.984 -17.387 0.778 1.00 1.13 N ATOM 1423 CA ARG A 91 -1.835 -17.755 2.186 1.00 1.20 C ATOM 1424 C ARG A 91 -2.469 -16.690 3.112 1.00 0.92 C ATOM 1425 O ARG A 91 -2.409 -15.509 2.764 1.00 0.92 O ATOM 1426 CB ARG A 91 -0.329 -17.831 2.501 1.00 1.51 C ATOM 1427 CG ARG A 91 0.439 -18.978 1.821 1.00 2.44 C ATOM 1428 CD ARG A 91 -0.071 -20.369 2.219 1.00 3.82 C ATOM 1429 NE ARG A 91 0.677 -21.434 1.526 1.00 5.34 N ATOM 1430 CZ ARG A 91 0.252 -22.173 0.504 1.00 6.87 C ATOM 1431 NH1 ARG A 91 -0.911 -21.974 -0.082 1.00 7.38 N ATOM 1432 NH2 ARG A 91 1.013 -23.147 0.047 1.00 8.33 N ATOM 0 H ARG A 91 -1.943 -16.376 0.647 1.00 1.13 H new ATOM 0 HA ARG A 91 -2.334 -18.709 2.357 1.00 1.20 H new ATOM 0 HB2 ARG A 91 0.132 -16.887 2.210 1.00 1.51 H new ATOM 0 HB3 ARG A 91 -0.207 -17.926 3.580 1.00 1.51 H new ATOM 0 HG2 ARG A 91 0.362 -18.866 0.739 1.00 2.44 H new ATOM 0 HG3 ARG A 91 1.496 -18.900 2.076 1.00 2.44 H new ATOM 0 HD2 ARG A 91 0.023 -20.498 3.297 1.00 3.82 H new ATOM 0 HD3 ARG A 91 -1.131 -20.452 1.980 1.00 3.82 H new ATOM 0 HE ARG A 91 1.620 -21.624 1.866 1.00 5.34 H new ATOM 0 HH11 ARG A 91 -1.526 -21.229 0.245 1.00 7.38 H new ATOM 0 HH12 ARG A 91 -1.196 -22.565 -0.863 1.00 7.38 H new ATOM 0 HH21 ARG A 91 1.920 -23.330 0.476 1.00 8.33 H new ATOM 0 HH22 ARG A 91 0.695 -23.718 -0.736 1.00 8.33 H new ATOM 1446 N PRO A 92 -3.005 -17.078 4.287 1.00 0.98 N ATOM 1447 CA PRO A 92 -3.339 -16.143 5.352 1.00 1.14 C ATOM 1448 C PRO A 92 -2.055 -15.594 5.985 1.00 1.26 C ATOM 1449 O PRO A 92 -1.051 -16.306 6.086 1.00 1.67 O ATOM 1450 CB PRO A 92 -4.173 -16.939 6.357 1.00 1.35 C ATOM 1451 CG PRO A 92 -3.628 -18.361 6.209 1.00 1.28 C ATOM 1452 CD PRO A 92 -3.262 -18.446 4.726 1.00 1.13 C ATOM 0 HA PRO A 92 -3.898 -15.281 4.989 1.00 1.14 H new ATOM 0 HB2 PRO A 92 -4.048 -16.563 7.372 1.00 1.35 H new ATOM 0 HB3 PRO A 92 -5.237 -16.889 6.127 1.00 1.35 H new ATOM 0 HG2 PRO A 92 -2.760 -18.528 6.847 1.00 1.28 H new ATOM 0 HG3 PRO A 92 -4.373 -19.108 6.483 1.00 1.28 H new ATOM 0 HD2 PRO A 92 -2.383 -19.073 4.578 1.00 1.13 H new ATOM 0 HD3 PRO A 92 -4.073 -18.893 4.151 1.00 1.13 H new ATOM 1460 N LEU A 93 -2.107 -14.337 6.427 1.00 1.16 N ATOM 1461 CA LEU A 93 -0.978 -13.569 6.962 1.00 1.27 C ATOM 1462 C LEU A 93 -1.346 -13.016 8.338 1.00 1.42 C ATOM 1463 O LEU A 93 -2.422 -12.448 8.544 1.00 1.89 O ATOM 1464 CB LEU A 93 -0.570 -12.420 6.027 1.00 1.64 C ATOM 1465 CG LEU A 93 -0.345 -12.785 4.547 1.00 2.02 C ATOM 1466 CD1 LEU A 93 -0.104 -11.485 3.773 1.00 2.55 C ATOM 1467 CD2 LEU A 93 0.845 -13.735 4.355 1.00 3.29 C ATOM 0 H LEU A 93 -2.975 -13.801 6.422 1.00 1.16 H new ATOM 0 HA LEU A 93 -0.124 -14.241 7.045 1.00 1.27 H new ATOM 0 HB2 LEU A 93 -1.341 -11.651 6.075 1.00 1.64 H new ATOM 0 HB3 LEU A 93 0.348 -11.976 6.412 1.00 1.64 H new ATOM 0 HG LEU A 93 -1.227 -13.308 4.177 1.00 2.02 H new ATOM 0 HD11 LEU A 93 0.059 -11.713 2.720 1.00 2.55 H new ATOM 0 HD12 LEU A 93 -0.973 -10.835 3.873 1.00 2.55 H new ATOM 0 HD13 LEU A 93 0.774 -10.980 4.175 1.00 2.55 H new ATOM 0 HD21 LEU A 93 0.962 -13.962 3.295 1.00 3.29 H new ATOM 0 HD22 LEU A 93 1.753 -13.260 4.727 1.00 3.29 H new ATOM 0 HD23 LEU A 93 0.666 -14.658 4.906 1.00 3.29 H new ATOM 1479 N LYS A 94 -0.448 -13.235 9.287 1.00 1.28 N ATOM 1480 CA LYS A 94 -0.694 -13.261 10.730 1.00 1.21 C ATOM 1481 C LYS A 94 0.259 -12.334 11.491 1.00 1.10 C ATOM 1482 O LYS A 94 1.091 -11.658 10.912 1.00 1.71 O ATOM 1483 CB LYS A 94 -0.517 -14.706 11.212 1.00 1.53 C ATOM 1484 CG LYS A 94 -1.525 -15.698 10.611 1.00 1.95 C ATOM 1485 CD LYS A 94 -0.920 -17.107 10.624 1.00 2.20 C ATOM 1486 CE LYS A 94 -0.631 -17.619 9.200 1.00 3.28 C ATOM 1487 NZ LYS A 94 0.447 -16.857 8.523 1.00 3.80 N ATOM 0 H LYS A 94 0.531 -13.410 9.062 1.00 1.28 H new ATOM 0 HA LYS A 94 -1.705 -12.904 10.925 1.00 1.21 H new ATOM 0 HB2 LYS A 94 0.492 -15.038 10.968 1.00 1.53 H new ATOM 0 HB3 LYS A 94 -0.606 -14.728 12.298 1.00 1.53 H new ATOM 0 HG2 LYS A 94 -2.453 -15.683 11.183 1.00 1.95 H new ATOM 0 HG3 LYS A 94 -1.775 -15.407 9.591 1.00 1.95 H new ATOM 0 HD2 LYS A 94 0.004 -17.100 11.202 1.00 2.20 H new ATOM 0 HD3 LYS A 94 -1.605 -17.792 11.125 1.00 2.20 H new ATOM 0 HE2 LYS A 94 -0.351 -18.671 9.247 1.00 3.28 H new ATOM 0 HE3 LYS A 94 -1.542 -17.558 8.605 1.00 3.28 H new ATOM 0 HZ1 LYS A 94 0.542 -17.187 7.541 1.00 3.80 H new ATOM 0 HZ2 LYS A 94 0.211 -15.844 8.526 1.00 3.80 H new ATOM 0 HZ3 LYS A 94 1.345 -17.005 9.026 1.00 3.80 H new ATOM 1501 N ALA A 95 0.138 -12.299 12.812 1.00 1.04 N ATOM 1502 CA ALA A 95 0.916 -11.379 13.632 1.00 1.05 C ATOM 1503 C ALA A 95 2.266 -11.984 14.026 1.00 1.08 C ATOM 1504 O ALA A 95 2.338 -13.140 14.438 1.00 1.20 O ATOM 1505 CB ALA A 95 0.080 -10.953 14.848 1.00 1.18 C ATOM 0 H ALA A 95 -0.494 -12.900 13.340 1.00 1.04 H new ATOM 0 HA ALA A 95 1.150 -10.486 13.052 1.00 1.05 H new ATOM 0 HB1 ALA A 95 0.658 -10.265 15.464 1.00 1.18 H new ATOM 0 HB2 ALA A 95 -0.830 -10.459 14.509 1.00 1.18 H new ATOM 0 HB3 ALA A 95 -0.182 -11.833 15.435 1.00 1.18 H new ATOM 1511 N GLY A 96 3.318 -11.186 13.861 1.00 1.09 N ATOM 1512 CA GLY A 96 4.716 -11.613 13.960 1.00 1.16 C ATOM 1513 C GLY A 96 5.188 -12.326 12.697 1.00 1.13 C ATOM 1514 O GLY A 96 5.802 -13.384 12.786 1.00 1.32 O ATOM 0 H GLY A 96 3.221 -10.193 13.648 1.00 1.09 H new ATOM 0 HA2 GLY A 96 5.348 -10.744 14.143 1.00 1.16 H new ATOM 0 HA3 GLY A 96 4.832 -12.278 14.816 1.00 1.16 H new ATOM 1518 N GLU A 97 4.891 -11.742 11.531 1.00 1.29 N ATOM 1519 CA GLU A 97 5.367 -12.212 10.224 1.00 1.19 C ATOM 1520 C GLU A 97 5.945 -11.057 9.396 1.00 1.02 C ATOM 1521 O GLU A 97 5.905 -9.896 9.802 1.00 1.02 O ATOM 1522 CB GLU A 97 4.243 -12.917 9.450 1.00 1.18 C ATOM 1523 CG GLU A 97 3.639 -14.070 10.266 1.00 1.55 C ATOM 1524 CD GLU A 97 2.727 -14.984 9.460 1.00 1.34 C ATOM 1525 OE1 GLU A 97 1.917 -14.510 8.633 1.00 2.40 O ATOM 1526 OE2 GLU A 97 2.721 -16.207 9.725 1.00 2.08 O ATOM 0 H GLU A 97 4.301 -10.912 11.468 1.00 1.29 H new ATOM 0 HA GLU A 97 6.164 -12.933 10.404 1.00 1.19 H new ATOM 0 HB2 GLU A 97 3.463 -12.197 9.202 1.00 1.18 H new ATOM 0 HB3 GLU A 97 4.634 -13.301 8.508 1.00 1.18 H new ATOM 0 HG2 GLU A 97 4.448 -14.664 10.692 1.00 1.55 H new ATOM 0 HG3 GLU A 97 3.075 -13.655 11.101 1.00 1.55 H new ATOM 1533 N GLU A 98 6.463 -11.388 8.216 1.00 0.98 N ATOM 1534 CA GLU A 98 7.326 -10.582 7.369 1.00 0.95 C ATOM 1535 C GLU A 98 7.016 -10.995 5.927 1.00 0.96 C ATOM 1536 O GLU A 98 7.011 -12.181 5.607 1.00 1.18 O ATOM 1537 CB GLU A 98 8.804 -10.879 7.680 1.00 1.07 C ATOM 1538 CG GLU A 98 9.237 -10.396 9.074 1.00 1.88 C ATOM 1539 CD GLU A 98 10.622 -10.897 9.480 1.00 2.38 C ATOM 1540 OE1 GLU A 98 11.341 -11.453 8.620 1.00 2.85 O ATOM 1541 OE2 GLU A 98 10.944 -10.732 10.675 1.00 3.44 O ATOM 0 H GLU A 98 6.273 -12.299 7.798 1.00 0.98 H new ATOM 0 HA GLU A 98 7.155 -9.518 7.533 1.00 0.95 H new ATOM 0 HB2 GLU A 98 8.976 -11.953 7.605 1.00 1.07 H new ATOM 0 HB3 GLU A 98 9.430 -10.402 6.926 1.00 1.07 H new ATOM 0 HG2 GLU A 98 9.232 -9.306 9.092 1.00 1.88 H new ATOM 0 HG3 GLU A 98 8.506 -10.730 9.811 1.00 1.88 H new ATOM 1548 N VAL A 99 6.684 -10.019 5.086 1.00 0.79 N ATOM 1549 CA VAL A 99 6.158 -10.237 3.722 1.00 0.74 C ATOM 1550 C VAL A 99 6.736 -9.221 2.735 1.00 0.60 C ATOM 1551 O VAL A 99 6.846 -8.037 3.040 1.00 0.66 O ATOM 1552 CB VAL A 99 4.613 -10.145 3.693 1.00 0.83 C ATOM 1553 CG1 VAL A 99 4.019 -10.504 2.318 1.00 1.02 C ATOM 1554 CG2 VAL A 99 3.958 -11.054 4.748 1.00 1.07 C ATOM 0 H VAL A 99 6.771 -9.032 5.329 1.00 0.79 H new ATOM 0 HA VAL A 99 6.462 -11.240 3.424 1.00 0.74 H new ATOM 0 HB VAL A 99 4.392 -9.101 3.916 1.00 0.83 H new ATOM 0 HG11 VAL A 99 2.933 -10.422 2.358 1.00 1.02 H new ATOM 0 HG12 VAL A 99 4.407 -9.819 1.564 1.00 1.02 H new ATOM 0 HG13 VAL A 99 4.296 -11.525 2.057 1.00 1.02 H new ATOM 0 HG21 VAL A 99 2.874 -10.956 4.690 1.00 1.07 H new ATOM 0 HG22 VAL A 99 4.239 -12.090 4.561 1.00 1.07 H new ATOM 0 HG23 VAL A 99 4.296 -10.760 5.742 1.00 1.07 H new ATOM 1564 N GLU A 100 7.055 -9.681 1.526 1.00 0.58 N ATOM 1565 CA GLU A 100 7.572 -8.839 0.441 1.00 0.53 C ATOM 1566 C GLU A 100 6.470 -8.352 -0.515 1.00 0.47 C ATOM 1567 O GLU A 100 5.650 -9.139 -1.009 1.00 0.54 O ATOM 1568 CB GLU A 100 8.647 -9.570 -0.379 1.00 0.68 C ATOM 1569 CG GLU A 100 9.894 -9.943 0.430 1.00 1.94 C ATOM 1570 CD GLU A 100 11.073 -10.235 -0.502 1.00 2.38 C ATOM 1571 OE1 GLU A 100 10.964 -11.121 -1.378 1.00 2.31 O ATOM 1572 OE2 GLU A 100 12.089 -9.510 -0.460 1.00 3.54 O ATOM 0 H GLU A 100 6.961 -10.663 1.266 1.00 0.58 H new ATOM 0 HA GLU A 100 8.010 -7.971 0.934 1.00 0.53 H new ATOM 0 HB2 GLU A 100 8.214 -10.477 -0.801 1.00 0.68 H new ATOM 0 HB3 GLU A 100 8.944 -8.939 -1.216 1.00 0.68 H new ATOM 0 HG2 GLU A 100 10.152 -9.129 1.107 1.00 1.94 H new ATOM 0 HG3 GLU A 100 9.686 -10.817 1.047 1.00 1.94 H new ATOM 1579 N LEU A 101 6.525 -7.056 -0.839 1.00 0.55 N ATOM 1580 CA LEU A 101 5.893 -6.481 -2.028 1.00 0.49 C ATOM 1581 C LEU A 101 6.957 -5.977 -3.019 1.00 0.43 C ATOM 1582 O LEU A 101 7.926 -5.303 -2.653 1.00 0.53 O ATOM 1583 CB LEU A 101 4.926 -5.332 -1.659 1.00 0.67 C ATOM 1584 CG LEU A 101 3.447 -5.727 -1.451 1.00 0.90 C ATOM 1585 CD1 LEU A 101 3.178 -6.693 -0.289 1.00 1.50 C ATOM 1586 CD2 LEU A 101 2.605 -4.464 -1.222 1.00 1.74 C ATOM 0 H LEU A 101 7.019 -6.367 -0.272 1.00 0.55 H new ATOM 0 HA LEU A 101 5.312 -7.272 -2.503 1.00 0.49 H new ATOM 0 HB2 LEU A 101 5.287 -4.861 -0.745 1.00 0.67 H new ATOM 0 HB3 LEU A 101 4.972 -4.579 -2.446 1.00 0.67 H new ATOM 0 HG LEU A 101 3.171 -6.257 -2.362 1.00 0.90 H new ATOM 0 HD11 LEU A 101 2.110 -6.904 -0.231 1.00 1.50 H new ATOM 0 HD12 LEU A 101 3.724 -7.622 -0.454 1.00 1.50 H new ATOM 0 HD13 LEU A 101 3.509 -6.239 0.645 1.00 1.50 H new ATOM 0 HD21 LEU A 101 1.562 -4.744 -1.075 1.00 1.74 H new ATOM 0 HD22 LEU A 101 2.968 -3.940 -0.338 1.00 1.74 H new ATOM 0 HD23 LEU A 101 2.687 -3.810 -2.090 1.00 1.74 H new ATOM 1598 N ASP A 102 6.696 -6.239 -4.294 1.00 0.50 N ATOM 1599 CA ASP A 102 7.282 -5.542 -5.449 1.00 0.48 C ATOM 1600 C ASP A 102 6.544 -4.199 -5.635 1.00 0.47 C ATOM 1601 O ASP A 102 5.324 -4.120 -5.482 1.00 0.68 O ATOM 1602 CB ASP A 102 7.051 -6.362 -6.730 1.00 0.60 C ATOM 1603 CG ASP A 102 8.097 -7.372 -7.220 1.00 1.09 C ATOM 1604 OD1 ASP A 102 9.083 -7.633 -6.499 1.00 1.81 O ATOM 1605 OD2 ASP A 102 7.842 -7.929 -8.324 1.00 2.48 O ATOM 0 H ASP A 102 6.044 -6.973 -4.571 1.00 0.50 H new ATOM 0 HA ASP A 102 8.349 -5.400 -5.275 1.00 0.48 H new ATOM 0 HB2 ASP A 102 6.118 -6.909 -6.595 1.00 0.60 H new ATOM 0 HB3 ASP A 102 6.890 -5.651 -7.540 1.00 0.60 H new ATOM 1610 N LEU A 103 7.274 -3.153 -6.018 1.00 0.53 N ATOM 1611 CA LEU A 103 6.812 -1.809 -6.326 1.00 0.51 C ATOM 1612 C LEU A 103 6.958 -1.545 -7.831 1.00 0.46 C ATOM 1613 O LEU A 103 8.062 -1.648 -8.369 1.00 0.56 O ATOM 1614 CB LEU A 103 7.698 -0.830 -5.537 1.00 0.71 C ATOM 1615 CG LEU A 103 7.321 -0.705 -4.051 1.00 0.77 C ATOM 1616 CD1 LEU A 103 7.583 -1.960 -3.206 1.00 0.89 C ATOM 1617 CD2 LEU A 103 8.082 0.491 -3.460 1.00 1.14 C ATOM 0 H LEU A 103 8.285 -3.235 -6.129 1.00 0.53 H new ATOM 0 HA LEU A 103 5.763 -1.686 -6.055 1.00 0.51 H new ATOM 0 HB2 LEU A 103 8.736 -1.154 -5.612 1.00 0.71 H new ATOM 0 HB3 LEU A 103 7.637 0.154 -6.001 1.00 0.71 H new ATOM 0 HG LEU A 103 6.241 -0.563 -4.014 1.00 0.77 H new ATOM 0 HD11 LEU A 103 7.285 -1.773 -2.174 1.00 0.89 H new ATOM 0 HD12 LEU A 103 7.006 -2.794 -3.605 1.00 0.89 H new ATOM 0 HD13 LEU A 103 8.645 -2.205 -3.238 1.00 0.89 H new ATOM 0 HD21 LEU A 103 7.829 0.598 -2.405 1.00 1.14 H new ATOM 0 HD22 LEU A 103 9.155 0.326 -3.561 1.00 1.14 H new ATOM 0 HD23 LEU A 103 7.803 1.399 -3.994 1.00 1.14 H new ATOM 1629 N LEU A 104 5.863 -1.178 -8.507 1.00 0.39 N ATOM 1630 CA LEU A 104 5.817 -0.972 -9.957 1.00 0.38 C ATOM 1631 C LEU A 104 5.740 0.524 -10.291 1.00 0.40 C ATOM 1632 O LEU A 104 4.751 1.206 -9.996 1.00 0.38 O ATOM 1633 CB LEU A 104 4.619 -1.744 -10.543 1.00 0.36 C ATOM 1634 CG LEU A 104 4.565 -3.252 -10.206 1.00 0.40 C ATOM 1635 CD1 LEU A 104 3.337 -3.879 -10.878 1.00 0.58 C ATOM 1636 CD2 LEU A 104 5.831 -4.002 -10.642 1.00 0.49 C ATOM 0 H LEU A 104 4.966 -1.013 -8.050 1.00 0.39 H new ATOM 0 HA LEU A 104 6.733 -1.355 -10.407 1.00 0.38 H new ATOM 0 HB2 LEU A 104 3.700 -1.278 -10.187 1.00 0.36 H new ATOM 0 HB3 LEU A 104 4.634 -1.633 -11.627 1.00 0.36 H new ATOM 0 HG LEU A 104 4.497 -3.342 -9.122 1.00 0.40 H new ATOM 0 HD11 LEU A 104 3.296 -4.942 -10.642 1.00 0.58 H new ATOM 0 HD12 LEU A 104 2.433 -3.391 -10.512 1.00 0.58 H new ATOM 0 HD13 LEU A 104 3.407 -3.749 -11.958 1.00 0.58 H new ATOM 0 HD21 LEU A 104 5.738 -5.056 -10.380 1.00 0.49 H new ATOM 0 HD22 LEU A 104 5.958 -3.906 -11.720 1.00 0.49 H new ATOM 0 HD23 LEU A 104 6.698 -3.578 -10.135 1.00 0.49 H new ATOM 1648 N PHE A 105 6.785 1.040 -10.943 1.00 0.52 N ATOM 1649 CA PHE A 105 6.954 2.443 -11.319 1.00 0.58 C ATOM 1650 C PHE A 105 6.819 2.640 -12.833 1.00 0.61 C ATOM 1651 O PHE A 105 7.606 2.079 -13.597 1.00 0.76 O ATOM 1652 CB PHE A 105 8.338 2.914 -10.869 1.00 0.69 C ATOM 1653 CG PHE A 105 8.549 2.935 -9.372 1.00 0.71 C ATOM 1654 CD1 PHE A 105 8.180 4.074 -8.633 1.00 1.92 C ATOM 1655 CD2 PHE A 105 9.146 1.836 -8.718 1.00 1.88 C ATOM 1656 CE1 PHE A 105 8.488 4.154 -7.266 1.00 1.95 C ATOM 1657 CE2 PHE A 105 9.436 1.915 -7.347 1.00 1.91 C ATOM 1658 CZ PHE A 105 9.134 3.082 -6.625 1.00 0.89 C ATOM 0 H PHE A 105 7.573 0.462 -11.236 1.00 0.52 H new ATOM 0 HA PHE A 105 6.172 3.026 -10.832 1.00 0.58 H new ATOM 0 HB2 PHE A 105 9.090 2.265 -11.318 1.00 0.69 H new ATOM 0 HB3 PHE A 105 8.509 3.917 -11.259 1.00 0.69 H new ATOM 0 HD1 PHE A 105 7.660 4.887 -9.118 1.00 1.92 H new ATOM 0 HD2 PHE A 105 9.379 0.938 -9.270 1.00 1.88 H new ATOM 0 HE1 PHE A 105 8.229 5.040 -6.706 1.00 1.95 H new ATOM 0 HE2 PHE A 105 9.893 1.075 -6.845 1.00 1.91 H new ATOM 0 HZ PHE A 105 9.397 3.155 -5.580 1.00 0.89 H new ATOM 1668 N ALA A 106 5.843 3.460 -13.241 1.00 0.75 N ATOM 1669 CA ALA A 106 5.585 3.924 -14.613 1.00 0.84 C ATOM 1670 C ALA A 106 5.574 2.814 -15.688 1.00 2.12 C ATOM 1671 O ALA A 106 5.896 3.065 -16.847 1.00 3.07 O ATOM 1672 CB ALA A 106 6.559 5.071 -14.929 1.00 1.23 C ATOM 0 H ALA A 106 5.167 3.843 -12.580 1.00 0.75 H new ATOM 0 HA ALA A 106 4.560 4.292 -14.653 1.00 0.84 H new ATOM 0 HB1 ALA A 106 6.383 5.429 -15.943 1.00 1.23 H new ATOM 0 HB2 ALA A 106 6.401 5.887 -14.224 1.00 1.23 H new ATOM 0 HB3 ALA A 106 7.584 4.711 -14.844 1.00 1.23 H new ATOM 1678 N GLY A 107 5.274 1.568 -15.293 1.00 2.89 N ATOM 1679 CA GLY A 107 5.447 0.359 -16.104 1.00 4.13 C ATOM 1680 C GLY A 107 6.903 -0.114 -16.146 1.00 3.46 C ATOM 1681 O GLY A 107 7.203 -1.224 -15.714 1.00 4.71 O ATOM 0 H GLY A 107 4.891 1.370 -14.368 1.00 2.89 H new ATOM 0 HA2 GLY A 107 4.821 -0.437 -15.702 1.00 4.13 H new ATOM 0 HA3 GLY A 107 5.102 0.554 -17.119 1.00 4.13 H new ATOM 1685 N GLY A 108 7.805 0.731 -16.662 1.00 1.78 N ATOM 1686 CA GLY A 108 9.167 0.355 -17.079 1.00 1.64 C ATOM 1687 C GLY A 108 10.195 0.071 -15.972 1.00 1.46 C ATOM 1688 O GLY A 108 11.322 -0.292 -16.292 1.00 1.88 O ATOM 0 H GLY A 108 7.605 1.721 -16.806 1.00 1.78 H new ATOM 0 HA2 GLY A 108 9.094 -0.534 -17.706 1.00 1.64 H new ATOM 0 HA3 GLY A 108 9.560 1.156 -17.706 1.00 1.64 H new ATOM 1692 N LYS A 109 9.851 0.211 -14.685 1.00 1.08 N ATOM 1693 CA LYS A 109 10.723 -0.181 -13.565 1.00 1.11 C ATOM 1694 C LYS A 109 9.982 -0.946 -12.459 1.00 0.97 C ATOM 1695 O LYS A 109 9.021 -0.436 -11.891 1.00 0.79 O ATOM 1696 CB LYS A 109 11.397 1.060 -12.943 1.00 1.10 C ATOM 1697 CG LYS A 109 12.686 1.452 -13.673 1.00 1.46 C ATOM 1698 CD LYS A 109 13.321 2.754 -13.152 1.00 1.79 C ATOM 1699 CE LYS A 109 14.025 2.642 -11.783 1.00 3.18 C ATOM 1700 NZ LYS A 109 13.087 2.653 -10.630 1.00 4.60 N ATOM 0 H LYS A 109 8.956 0.601 -14.388 1.00 1.08 H new ATOM 0 HA LYS A 109 11.470 -0.851 -13.990 1.00 1.11 H new ATOM 0 HB2 LYS A 109 10.700 1.898 -12.966 1.00 1.10 H new ATOM 0 HB3 LYS A 109 11.622 0.861 -11.895 1.00 1.10 H new ATOM 0 HG2 LYS A 109 13.409 0.642 -13.576 1.00 1.46 H new ATOM 0 HG3 LYS A 109 12.472 1.563 -14.736 1.00 1.46 H new ATOM 0 HD2 LYS A 109 14.045 3.105 -13.887 1.00 1.79 H new ATOM 0 HD3 LYS A 109 12.544 3.515 -13.081 1.00 1.79 H new ATOM 0 HE2 LYS A 109 14.608 1.721 -11.758 1.00 3.18 H new ATOM 0 HE3 LYS A 109 14.728 3.468 -11.677 1.00 3.18 H new ATOM 0 HZ1 LYS A 109 13.513 3.179 -9.841 1.00 4.60 H new ATOM 0 HZ2 LYS A 109 12.197 3.112 -10.911 1.00 4.60 H new ATOM 0 HZ3 LYS A 109 12.894 1.676 -10.330 1.00 4.60 H new ATOM 1714 N VAL A 110 10.554 -2.079 -12.057 1.00 1.18 N ATOM 1715 CA VAL A 110 10.265 -2.780 -10.793 1.00 0.93 C ATOM 1716 C VAL A 110 11.304 -2.410 -9.720 1.00 0.89 C ATOM 1717 O VAL A 110 12.451 -2.090 -10.043 1.00 1.05 O ATOM 1718 CB VAL A 110 10.177 -4.313 -11.021 1.00 0.88 C ATOM 1719 CG1 VAL A 110 11.505 -4.922 -11.504 1.00 2.11 C ATOM 1720 CG2 VAL A 110 9.670 -5.082 -9.789 1.00 2.07 C ATOM 0 H VAL A 110 11.259 -2.557 -12.618 1.00 1.18 H new ATOM 0 HA VAL A 110 9.291 -2.455 -10.426 1.00 0.93 H new ATOM 0 HB VAL A 110 9.438 -4.428 -11.814 1.00 0.88 H new ATOM 0 HG11 VAL A 110 11.382 -5.996 -11.646 1.00 2.11 H new ATOM 0 HG12 VAL A 110 11.794 -4.462 -12.449 1.00 2.11 H new ATOM 0 HG13 VAL A 110 12.280 -4.741 -10.760 1.00 2.11 H new ATOM 0 HG21 VAL A 110 9.632 -6.148 -10.015 1.00 2.07 H new ATOM 0 HG22 VAL A 110 10.346 -4.913 -8.951 1.00 2.07 H new ATOM 0 HG23 VAL A 110 8.672 -4.731 -9.526 1.00 2.07 H new ATOM 1730 N LEU A 111 10.888 -2.466 -8.454 1.00 0.84 N ATOM 1731 CA LEU A 111 11.708 -2.478 -7.237 1.00 0.86 C ATOM 1732 C LEU A 111 10.989 -3.355 -6.191 1.00 0.85 C ATOM 1733 O LEU A 111 9.911 -3.861 -6.478 1.00 1.63 O ATOM 1734 CB LEU A 111 11.920 -1.023 -6.763 1.00 0.93 C ATOM 1735 CG LEU A 111 13.176 -0.765 -5.908 1.00 1.15 C ATOM 1736 CD1 LEU A 111 14.472 -0.972 -6.710 1.00 2.30 C ATOM 1737 CD2 LEU A 111 13.129 0.678 -5.384 1.00 1.90 C ATOM 0 H LEU A 111 9.893 -2.507 -8.234 1.00 0.84 H new ATOM 0 HA LEU A 111 12.697 -2.903 -7.410 1.00 0.86 H new ATOM 0 HB2 LEU A 111 11.965 -0.379 -7.641 1.00 0.93 H new ATOM 0 HB3 LEU A 111 11.045 -0.718 -6.188 1.00 0.93 H new ATOM 0 HG LEU A 111 13.179 -1.479 -5.085 1.00 1.15 H new ATOM 0 HD11 LEU A 111 15.332 -0.779 -6.068 1.00 2.30 H new ATOM 0 HD12 LEU A 111 14.514 -1.998 -7.075 1.00 2.30 H new ATOM 0 HD13 LEU A 111 14.490 -0.285 -7.556 1.00 2.30 H new ATOM 0 HD21 LEU A 111 14.013 0.874 -4.777 1.00 1.90 H new ATOM 0 HD22 LEU A 111 13.106 1.370 -6.226 1.00 1.90 H new ATOM 0 HD23 LEU A 111 12.234 0.816 -4.777 1.00 1.90 H new ATOM 1749 N LYS A 112 11.532 -3.540 -4.987 1.00 0.90 N ATOM 1750 CA LYS A 112 10.925 -4.406 -3.962 1.00 0.93 C ATOM 1751 C LYS A 112 11.198 -3.874 -2.544 1.00 1.05 C ATOM 1752 O LYS A 112 12.273 -3.323 -2.299 1.00 1.37 O ATOM 1753 CB LYS A 112 11.452 -5.841 -4.181 1.00 1.09 C ATOM 1754 CG LYS A 112 10.643 -6.905 -3.425 1.00 1.44 C ATOM 1755 CD LYS A 112 11.087 -8.342 -3.720 1.00 1.42 C ATOM 1756 CE LYS A 112 12.545 -8.590 -3.312 1.00 2.05 C ATOM 1757 NZ LYS A 112 12.799 -10.029 -3.077 1.00 2.49 N ATOM 0 H LYS A 112 12.402 -3.098 -4.691 1.00 0.90 H new ATOM 0 HA LYS A 112 9.839 -4.411 -4.060 1.00 0.93 H new ATOM 0 HB2 LYS A 112 11.433 -6.069 -5.247 1.00 1.09 H new ATOM 0 HB3 LYS A 112 12.493 -5.891 -3.862 1.00 1.09 H new ATOM 0 HG2 LYS A 112 10.728 -6.720 -2.354 1.00 1.44 H new ATOM 0 HG3 LYS A 112 9.589 -6.799 -3.684 1.00 1.44 H new ATOM 0 HD2 LYS A 112 10.439 -9.038 -3.188 1.00 1.42 H new ATOM 0 HD3 LYS A 112 10.969 -8.546 -4.784 1.00 1.42 H new ATOM 0 HE2 LYS A 112 13.211 -8.224 -4.093 1.00 2.05 H new ATOM 0 HE3 LYS A 112 12.773 -8.026 -2.408 1.00 2.05 H new ATOM 0 HZ1 LYS A 112 13.533 -10.137 -2.348 1.00 2.49 H new ATOM 0 HZ2 LYS A 112 11.923 -10.488 -2.757 1.00 2.49 H new ATOM 0 HZ3 LYS A 112 13.120 -10.474 -3.961 1.00 2.49 H new ATOM 1771 N VAL A 113 10.250 -4.042 -1.615 1.00 0.92 N ATOM 1772 CA VAL A 113 10.393 -3.663 -0.191 1.00 1.04 C ATOM 1773 C VAL A 113 9.689 -4.707 0.689 1.00 1.06 C ATOM 1774 O VAL A 113 8.813 -5.441 0.230 1.00 1.13 O ATOM 1775 CB VAL A 113 9.865 -2.231 0.125 1.00 1.21 C ATOM 1776 CG1 VAL A 113 10.345 -1.703 1.491 1.00 1.69 C ATOM 1777 CG2 VAL A 113 10.298 -1.164 -0.903 1.00 2.00 C ATOM 0 H VAL A 113 9.341 -4.453 -1.829 1.00 0.92 H new ATOM 0 HA VAL A 113 11.460 -3.643 0.031 1.00 1.04 H new ATOM 0 HB VAL A 113 8.783 -2.365 0.105 1.00 1.21 H new ATOM 0 HG11 VAL A 113 9.945 -0.702 1.655 1.00 1.69 H new ATOM 0 HG12 VAL A 113 9.995 -2.367 2.281 1.00 1.69 H new ATOM 0 HG13 VAL A 113 11.434 -1.665 1.504 1.00 1.69 H new ATOM 0 HG21 VAL A 113 9.892 -0.195 -0.614 1.00 2.00 H new ATOM 0 HG22 VAL A 113 11.386 -1.107 -0.932 1.00 2.00 H new ATOM 0 HG23 VAL A 113 9.922 -1.436 -1.890 1.00 2.00 H new ATOM 1787 N VAL A 114 10.111 -4.776 1.946 1.00 1.08 N ATOM 1788 CA VAL A 114 9.618 -5.678 2.999 1.00 1.10 C ATOM 1789 C VAL A 114 8.513 -4.977 3.808 1.00 1.34 C ATOM 1790 O VAL A 114 8.423 -3.750 3.823 1.00 2.00 O ATOM 1791 CB VAL A 114 10.781 -6.150 3.917 1.00 1.59 C ATOM 1792 CG1 VAL A 114 10.336 -7.178 4.975 1.00 1.87 C ATOM 1793 CG2 VAL A 114 11.908 -6.791 3.082 1.00 2.12 C ATOM 0 H VAL A 114 10.855 -4.167 2.287 1.00 1.08 H new ATOM 0 HA VAL A 114 9.194 -6.568 2.533 1.00 1.10 H new ATOM 0 HB VAL A 114 11.133 -5.254 4.429 1.00 1.59 H new ATOM 0 HG11 VAL A 114 11.193 -7.468 5.584 1.00 1.87 H new ATOM 0 HG12 VAL A 114 9.571 -6.736 5.613 1.00 1.87 H new ATOM 0 HG13 VAL A 114 9.929 -8.059 4.478 1.00 1.87 H new ATOM 0 HG21 VAL A 114 12.712 -7.114 3.743 1.00 2.12 H new ATOM 0 HG22 VAL A 114 11.515 -7.652 2.541 1.00 2.12 H new ATOM 0 HG23 VAL A 114 12.295 -6.061 2.371 1.00 2.12 H new ATOM 1803 N LEU A 115 7.628 -5.767 4.419 1.00 1.02 N ATOM 1804 CA LEU A 115 6.548 -5.336 5.299 1.00 1.17 C ATOM 1805 C LEU A 115 6.412 -6.304 6.494 1.00 0.86 C ATOM 1806 O LEU A 115 6.097 -7.485 6.281 1.00 0.80 O ATOM 1807 CB LEU A 115 5.204 -5.322 4.550 1.00 1.47 C ATOM 1808 CG LEU A 115 5.049 -4.282 3.427 1.00 1.42 C ATOM 1809 CD1 LEU A 115 5.576 -4.754 2.063 1.00 2.30 C ATOM 1810 CD2 LEU A 115 3.552 -3.980 3.310 1.00 3.10 C ATOM 0 H LEU A 115 7.650 -6.780 4.305 1.00 1.02 H new ATOM 0 HA LEU A 115 6.791 -4.332 5.647 1.00 1.17 H new ATOM 0 HB2 LEU A 115 5.043 -6.311 4.122 1.00 1.47 H new ATOM 0 HB3 LEU A 115 4.410 -5.157 5.279 1.00 1.47 H new ATOM 0 HG LEU A 115 5.643 -3.406 3.688 1.00 1.42 H new ATOM 0 HD11 LEU A 115 5.431 -3.966 1.324 1.00 2.30 H new ATOM 0 HD12 LEU A 115 6.638 -4.985 2.143 1.00 2.30 H new ATOM 0 HD13 LEU A 115 5.033 -5.647 1.752 1.00 2.30 H new ATOM 0 HD21 LEU A 115 3.390 -3.244 2.523 1.00 3.10 H new ATOM 0 HD22 LEU A 115 3.014 -4.896 3.067 1.00 3.10 H new ATOM 0 HD23 LEU A 115 3.185 -3.585 4.257 1.00 3.10 H new ATOM 1822 N PRO A 116 6.560 -5.818 7.734 1.00 0.89 N ATOM 1823 CA PRO A 116 6.002 -6.431 8.936 1.00 1.04 C ATOM 1824 C PRO A 116 4.517 -6.776 8.813 1.00 0.79 C ATOM 1825 O PRO A 116 3.743 -6.000 8.247 1.00 0.79 O ATOM 1826 CB PRO A 116 6.170 -5.361 10.024 1.00 1.55 C ATOM 1827 CG PRO A 116 7.437 -4.627 9.603 1.00 1.20 C ATOM 1828 CD PRO A 116 7.393 -4.678 8.081 1.00 1.00 C ATOM 0 HA PRO A 116 6.509 -7.374 9.142 1.00 1.04 H new ATOM 0 HB2 PRO A 116 5.312 -4.691 10.064 1.00 1.55 H new ATOM 0 HB3 PRO A 116 6.273 -5.806 11.013 1.00 1.55 H new ATOM 0 HG2 PRO A 116 7.446 -3.600 9.969 1.00 1.20 H new ATOM 0 HG3 PRO A 116 8.331 -5.113 9.995 1.00 1.20 H new ATOM 0 HD2 PRO A 116 6.979 -3.756 7.673 1.00 1.00 H new ATOM 0 HD3 PRO A 116 8.395 -4.788 7.667 1.00 1.00 H new ATOM 1836 N VAL A 117 4.091 -7.875 9.436 1.00 0.80 N ATOM 1837 CA VAL A 117 2.675 -8.120 9.739 1.00 0.81 C ATOM 1838 C VAL A 117 2.506 -8.225 11.253 1.00 0.95 C ATOM 1839 O VAL A 117 3.180 -9.018 11.915 1.00 1.02 O ATOM 1840 CB VAL A 117 2.126 -9.404 9.084 1.00 0.79 C ATOM 1841 CG1 VAL A 117 0.580 -9.397 9.068 1.00 0.85 C ATOM 1842 CG2 VAL A 117 2.647 -9.646 7.662 1.00 0.88 C ATOM 0 H VAL A 117 4.714 -8.621 9.746 1.00 0.80 H new ATOM 0 HA VAL A 117 2.109 -7.284 9.329 1.00 0.81 H new ATOM 0 HB VAL A 117 2.493 -10.223 9.703 1.00 0.79 H new ATOM 0 HG11 VAL A 117 0.217 -10.313 8.601 1.00 0.85 H new ATOM 0 HG12 VAL A 117 0.206 -9.338 10.090 1.00 0.85 H new ATOM 0 HG13 VAL A 117 0.226 -8.536 8.501 1.00 0.85 H new ATOM 0 HG21 VAL A 117 2.217 -10.567 7.269 1.00 0.88 H new ATOM 0 HG22 VAL A 117 2.362 -8.810 7.023 1.00 0.88 H new ATOM 0 HG23 VAL A 117 3.733 -9.733 7.682 1.00 0.88 H new ATOM 1852 N GLU A 118 1.571 -7.451 11.800 1.00 1.25 N ATOM 1853 CA GLU A 118 1.091 -7.527 13.155 1.00 1.56 C ATOM 1854 C GLU A 118 -0.338 -6.982 13.218 1.00 1.51 C ATOM 1855 O GLU A 118 -0.602 -5.861 12.767 1.00 2.16 O ATOM 1856 CB GLU A 118 1.996 -6.739 14.098 1.00 2.32 C ATOM 1857 CG GLU A 118 1.762 -7.287 15.494 1.00 3.52 C ATOM 1858 CD GLU A 118 2.296 -6.341 16.559 1.00 3.81 C ATOM 1859 OE1 GLU A 118 3.525 -6.202 16.703 1.00 4.23 O ATOM 1860 OE2 GLU A 118 1.486 -5.645 17.204 1.00 4.28 O ATOM 0 H GLU A 118 1.108 -6.714 11.267 1.00 1.25 H new ATOM 0 HA GLU A 118 1.099 -8.570 13.473 1.00 1.56 H new ATOM 0 HB2 GLU A 118 3.042 -6.848 13.811 1.00 2.32 H new ATOM 0 HB3 GLU A 118 1.764 -5.675 14.057 1.00 2.32 H new ATOM 0 HG2 GLU A 118 0.695 -7.447 15.649 1.00 3.52 H new ATOM 0 HG3 GLU A 118 2.248 -8.258 15.591 1.00 3.52 H new