USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 HIS : no HE2:sc= -1.45 K(o=-1.6,f=-6.3!) USER MOD Set 1.2: A 83 HIS : no HE2:sc= -0.133 K(o=-1.6,f=-2.1) USER MOD Single : A 11 SER OG : rot 53:sc= 1.03 USER MOD Single : A 15 ASN : amide:sc= 0.167 K(o=0.17,f=-2.6!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0.0319 USER MOD Single : A 21 THR OG1 : rot 122:sc= 1.15 USER MOD Single : A 24 ASN : amide:sc= 0.428 K(o=0.43,f=-3.3!) USER MOD Single : A 37 THR OG1 : rot 86:sc= 0.424 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -154:sc= 0.0935 (180deg=-1.11!) USER MOD Single : A 57 LYS NZ :NH3+ 139:sc= -0.226 (180deg=-0.792!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -161:sc=-0.00594 (180deg=-0.253) USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= -0.0413! (180deg=-0.0847!) USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= 1.3 (180deg=1.02) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -162:sc= 0 (180deg=-0.0149) USER MOD Single : A 90 LYS NZ :NH3+ -177:sc= 1.76 (180deg=1.74) USER MOD Single : A 94 LYS NZ :NH3+ 151:sc= 1.24 (180deg=1.22) USER MOD Single : A 109 LYS NZ :NH3+ -170:sc= 1.15 (180deg=1.08) USER MOD Single : A 112 LYS NZ :NH3+ 169:sc= 1.91 (180deg=1.65) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 4.371 -2.504 11.912 1.00 1.58 N ATOM 56 CA GLU A 5 3.268 -3.198 11.240 1.00 1.36 C ATOM 57 C GLU A 5 2.391 -2.235 10.410 1.00 1.09 C ATOM 58 O GLU A 5 2.560 -1.012 10.437 1.00 1.40 O ATOM 59 CB GLU A 5 2.457 -3.998 12.278 1.00 2.62 C ATOM 60 CG GLU A 5 1.643 -3.132 13.249 1.00 3.81 C ATOM 61 CD GLU A 5 1.228 -3.939 14.482 1.00 5.09 C ATOM 62 OE1 GLU A 5 0.324 -4.794 14.354 1.00 6.22 O ATOM 63 OE2 GLU A 5 1.867 -3.701 15.530 1.00 5.52 O ATOM 0 HA GLU A 5 3.683 -3.900 10.517 1.00 1.36 H new ATOM 0 HB2 GLU A 5 1.778 -4.669 11.752 1.00 2.62 H new ATOM 0 HB3 GLU A 5 3.141 -4.623 12.853 1.00 2.62 H new ATOM 0 HG2 GLU A 5 2.234 -2.269 13.556 1.00 3.81 H new ATOM 0 HG3 GLU A 5 0.756 -2.748 12.745 1.00 3.81 H new ATOM 70 N GLY A 6 1.467 -2.793 9.627 1.00 1.00 N ATOM 71 CA GLY A 6 0.521 -2.072 8.767 1.00 0.85 C ATOM 72 C GLY A 6 -0.799 -2.829 8.619 1.00 0.75 C ATOM 73 O GLY A 6 -0.961 -3.888 9.220 1.00 1.00 O ATOM 0 H GLY A 6 1.350 -3.805 9.571 1.00 1.00 H new ATOM 0 HA2 GLY A 6 0.329 -1.084 9.186 1.00 0.85 H new ATOM 0 HA3 GLY A 6 0.966 -1.921 7.784 1.00 0.85 H new ATOM 77 N TRP A 7 -1.740 -2.311 7.819 1.00 0.69 N ATOM 78 CA TRP A 7 -3.090 -2.885 7.709 1.00 0.80 C ATOM 79 C TRP A 7 -3.768 -2.719 6.334 1.00 0.77 C ATOM 80 O TRP A 7 -3.426 -1.839 5.541 1.00 0.69 O ATOM 81 CB TRP A 7 -3.965 -2.371 8.868 1.00 1.03 C ATOM 82 CG TRP A 7 -4.458 -0.949 8.856 1.00 0.99 C ATOM 83 CD1 TRP A 7 -5.753 -0.595 8.697 1.00 1.17 C ATOM 84 CD2 TRP A 7 -3.751 0.295 9.176 1.00 1.11 C ATOM 85 NE1 TRP A 7 -5.917 0.751 8.953 1.00 1.45 N ATOM 86 CE2 TRP A 7 -4.710 1.353 9.252 1.00 1.46 C ATOM 87 CE3 TRP A 7 -2.411 0.635 9.467 1.00 1.17 C ATOM 88 CZ2 TRP A 7 -4.356 2.664 9.614 1.00 1.86 C ATOM 89 CZ3 TRP A 7 -2.042 1.953 9.801 1.00 1.53 C ATOM 90 CH2 TRP A 7 -3.011 2.967 9.882 1.00 1.88 C ATOM 0 H TRP A 7 -1.590 -1.489 7.234 1.00 0.69 H new ATOM 0 HA TRP A 7 -2.973 -3.965 7.793 1.00 0.80 H new ATOM 0 HB2 TRP A 7 -4.840 -3.018 8.928 1.00 1.03 H new ATOM 0 HB3 TRP A 7 -3.401 -2.512 9.790 1.00 1.03 H new ATOM 0 HD1 TRP A 7 -6.546 -1.270 8.410 1.00 1.17 H new ATOM 0 HE1 TRP A 7 -6.813 1.238 8.925 1.00 1.45 H new ATOM 0 HE3 TRP A 7 -1.652 -0.133 9.433 1.00 1.17 H new ATOM 0 HZ2 TRP A 7 -5.112 3.432 9.686 1.00 1.86 H new ATOM 0 HZ3 TRP A 7 -1.006 2.186 9.996 1.00 1.53 H new ATOM 0 HH2 TRP A 7 -2.723 3.973 10.149 1.00 1.88 H new ATOM 101 N VAL A 8 -4.742 -3.588 6.049 1.00 0.97 N ATOM 102 CA VAL A 8 -5.588 -3.543 4.842 1.00 1.08 C ATOM 103 C VAL A 8 -6.859 -2.748 5.164 1.00 1.15 C ATOM 104 O VAL A 8 -7.451 -2.959 6.218 1.00 1.20 O ATOM 105 CB VAL A 8 -5.921 -4.973 4.356 1.00 1.16 C ATOM 106 CG1 VAL A 8 -6.906 -4.972 3.174 1.00 1.34 C ATOM 107 CG2 VAL A 8 -4.634 -5.707 3.926 1.00 1.18 C ATOM 0 H VAL A 8 -4.974 -4.366 6.666 1.00 0.97 H new ATOM 0 HA VAL A 8 -5.054 -3.047 4.031 1.00 1.08 H new ATOM 0 HB VAL A 8 -6.390 -5.488 5.195 1.00 1.16 H new ATOM 0 HG11 VAL A 8 -7.109 -5.998 2.869 1.00 1.34 H new ATOM 0 HG12 VAL A 8 -7.837 -4.493 3.477 1.00 1.34 H new ATOM 0 HG13 VAL A 8 -6.471 -4.424 2.338 1.00 1.34 H new ATOM 0 HG21 VAL A 8 -4.884 -6.712 3.586 1.00 1.18 H new ATOM 0 HG22 VAL A 8 -4.156 -5.158 3.114 1.00 1.18 H new ATOM 0 HG23 VAL A 8 -3.951 -5.770 4.773 1.00 1.18 H new ATOM 117 N ARG A 9 -7.270 -1.832 4.277 1.00 1.18 N ATOM 118 CA ARG A 9 -8.429 -0.951 4.478 1.00 1.28 C ATOM 119 C ARG A 9 -9.755 -1.730 4.437 1.00 1.37 C ATOM 120 O ARG A 9 -10.146 -2.237 3.385 1.00 2.36 O ATOM 121 CB ARG A 9 -8.420 0.142 3.395 1.00 1.52 C ATOM 122 CG ARG A 9 -9.544 1.192 3.467 1.00 1.82 C ATOM 123 CD ARG A 9 -9.397 2.232 4.588 1.00 1.81 C ATOM 124 NE ARG A 9 -8.409 3.271 4.220 1.00 2.62 N ATOM 125 CZ ARG A 9 -8.648 4.569 4.024 1.00 3.43 C ATOM 126 NH1 ARG A 9 -9.817 5.125 4.261 1.00 3.73 N ATOM 127 NH2 ARG A 9 -7.680 5.336 3.573 1.00 4.83 N ATOM 0 H ARG A 9 -6.799 -1.680 3.385 1.00 1.18 H new ATOM 0 HA ARG A 9 -8.352 -0.500 5.467 1.00 1.28 H new ATOM 0 HB2 ARG A 9 -7.464 0.663 3.444 1.00 1.52 H new ATOM 0 HB3 ARG A 9 -8.469 -0.343 2.420 1.00 1.52 H new ATOM 0 HG2 ARG A 9 -9.592 1.715 2.512 1.00 1.82 H new ATOM 0 HG3 ARG A 9 -10.495 0.675 3.596 1.00 1.82 H new ATOM 0 HD2 ARG A 9 -10.363 2.697 4.787 1.00 1.81 H new ATOM 0 HD3 ARG A 9 -9.086 1.738 5.509 1.00 1.81 H new ATOM 0 HE ARG A 9 -7.444 2.962 4.104 1.00 2.62 H new ATOM 0 HH11 ARG A 9 -10.590 4.558 4.611 1.00 3.73 H new ATOM 0 HH12 ARG A 9 -9.950 6.123 4.095 1.00 3.73 H new ATOM 0 HH21 ARG A 9 -6.762 4.937 3.378 1.00 4.83 H new ATOM 0 HH22 ARG A 9 -7.847 6.330 3.418 1.00 4.83 H new ATOM 141 N PHE A 10 -10.494 -1.696 5.544 1.00 0.81 N ATOM 142 CA PHE A 10 -11.910 -2.043 5.613 1.00 0.70 C ATOM 143 C PHE A 10 -12.774 -1.037 4.831 1.00 0.84 C ATOM 144 O PHE A 10 -12.556 0.172 4.909 1.00 1.23 O ATOM 145 CB PHE A 10 -12.345 -2.080 7.088 1.00 0.93 C ATOM 146 CG PHE A 10 -13.852 -2.030 7.281 1.00 0.99 C ATOM 147 CD1 PHE A 10 -14.595 -3.215 7.272 1.00 1.66 C ATOM 148 CD2 PHE A 10 -14.517 -0.790 7.364 1.00 1.68 C ATOM 149 CE1 PHE A 10 -15.995 -3.179 7.393 1.00 1.78 C ATOM 150 CE2 PHE A 10 -15.920 -0.747 7.412 1.00 1.85 C ATOM 151 CZ PHE A 10 -16.661 -1.943 7.448 1.00 1.41 C ATOM 0 H PHE A 10 -10.110 -1.417 6.447 1.00 0.81 H new ATOM 0 HA PHE A 10 -12.053 -3.023 5.157 1.00 0.70 H new ATOM 0 HB2 PHE A 10 -11.958 -2.989 7.549 1.00 0.93 H new ATOM 0 HB3 PHE A 10 -11.892 -1.239 7.613 1.00 0.93 H new ATOM 0 HD1 PHE A 10 -14.090 -4.164 7.171 1.00 1.66 H new ATOM 0 HD2 PHE A 10 -13.948 0.127 7.391 1.00 1.68 H new ATOM 0 HE1 PHE A 10 -16.558 -4.100 7.444 1.00 1.78 H new ATOM 0 HE2 PHE A 10 -16.431 0.205 7.421 1.00 1.85 H new ATOM 0 HZ PHE A 10 -17.738 -1.911 7.518 1.00 1.41 H new ATOM 161 N SER A 11 -13.820 -1.525 4.157 1.00 0.91 N ATOM 162 CA SER A 11 -14.880 -0.749 3.520 1.00 1.26 C ATOM 163 C SER A 11 -15.977 -1.680 2.962 1.00 1.35 C ATOM 164 O SER A 11 -15.708 -2.864 2.768 1.00 1.47 O ATOM 165 CB SER A 11 -14.264 0.091 2.399 1.00 1.75 C ATOM 166 OG SER A 11 -13.937 1.376 2.900 1.00 2.92 O ATOM 0 H SER A 11 -13.954 -2.529 4.037 1.00 0.91 H new ATOM 0 HA SER A 11 -15.347 -0.094 4.255 1.00 1.26 H new ATOM 0 HB2 SER A 11 -13.371 -0.399 2.011 1.00 1.75 H new ATOM 0 HB3 SER A 11 -14.965 0.180 1.569 1.00 1.75 H new ATOM 0 HG SER A 11 -13.389 1.283 3.707 1.00 2.92 H new ATOM 172 N PRO A 12 -17.198 -1.190 2.676 1.00 1.51 N ATOM 173 CA PRO A 12 -18.283 -1.983 2.087 1.00 1.74 C ATOM 174 C PRO A 12 -18.184 -2.051 0.548 1.00 1.73 C ATOM 175 O PRO A 12 -19.180 -1.934 -0.164 1.00 2.49 O ATOM 176 CB PRO A 12 -19.547 -1.274 2.571 1.00 2.04 C ATOM 177 CG PRO A 12 -19.135 0.197 2.542 1.00 1.97 C ATOM 178 CD PRO A 12 -17.679 0.146 3.006 1.00 1.66 C ATOM 0 HA PRO A 12 -18.257 -3.029 2.391 1.00 1.74 H new ATOM 0 HB2 PRO A 12 -20.397 -1.470 1.918 1.00 2.04 H new ATOM 0 HB3 PRO A 12 -19.834 -1.595 3.572 1.00 2.04 H new ATOM 0 HG2 PRO A 12 -19.227 0.624 1.543 1.00 1.97 H new ATOM 0 HG3 PRO A 12 -19.751 0.803 3.206 1.00 1.97 H new ATOM 0 HD2 PRO A 12 -17.083 0.910 2.506 1.00 1.66 H new ATOM 0 HD3 PRO A 12 -17.604 0.334 4.077 1.00 1.66 H new ATOM 186 N GLY A 13 -16.957 -2.155 0.029 1.00 1.19 N ATOM 187 CA GLY A 13 -16.617 -1.923 -1.384 1.00 1.46 C ATOM 188 C GLY A 13 -16.160 -3.172 -2.160 1.00 0.96 C ATOM 189 O GLY A 13 -15.547 -4.063 -1.572 1.00 0.99 O ATOM 0 H GLY A 13 -16.147 -2.410 0.594 1.00 1.19 H new ATOM 0 HA2 GLY A 13 -17.487 -1.501 -1.886 1.00 1.46 H new ATOM 0 HA3 GLY A 13 -15.826 -1.174 -1.433 1.00 1.46 H new ATOM 193 N PRO A 14 -16.384 -3.223 -3.493 1.00 0.93 N ATOM 194 CA PRO A 14 -15.751 -4.205 -4.377 1.00 1.00 C ATOM 195 C PRO A 14 -14.274 -3.863 -4.649 1.00 0.89 C ATOM 196 O PRO A 14 -13.487 -4.745 -5.001 1.00 1.03 O ATOM 197 CB PRO A 14 -16.572 -4.145 -5.668 1.00 1.25 C ATOM 198 CG PRO A 14 -17.015 -2.682 -5.736 1.00 1.19 C ATOM 199 CD PRO A 14 -17.210 -2.302 -4.268 1.00 1.14 C ATOM 0 HA PRO A 14 -15.741 -5.200 -3.932 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -15.977 -4.426 -6.537 1.00 1.25 H new ATOM 0 HB3 PRO A 14 -17.425 -4.822 -5.634 1.00 1.25 H new ATOM 0 HG2 PRO A 14 -16.263 -2.056 -6.216 1.00 1.19 H new ATOM 0 HG3 PRO A 14 -17.937 -2.567 -6.307 1.00 1.19 H new ATOM 0 HD2 PRO A 14 -16.911 -1.269 -4.091 1.00 1.14 H new ATOM 0 HD3 PRO A 14 -18.258 -2.384 -3.981 1.00 1.14 H new ATOM 207 N ASN A 15 -13.903 -2.591 -4.474 1.00 0.84 N ATOM 208 CA ASN A 15 -12.557 -2.078 -4.380 1.00 0.75 C ATOM 209 C ASN A 15 -12.185 -1.687 -2.934 1.00 0.70 C ATOM 210 O ASN A 15 -13.029 -1.367 -2.097 1.00 0.86 O ATOM 211 CB ASN A 15 -12.444 -0.875 -5.320 1.00 0.90 C ATOM 212 CG ASN A 15 -13.241 0.349 -4.881 1.00 1.30 C ATOM 213 OD1 ASN A 15 -14.446 0.293 -4.680 1.00 2.07 O ATOM 214 ND2 ASN A 15 -12.592 1.490 -4.721 1.00 2.31 N ATOM 0 H ASN A 15 -14.597 -1.848 -4.390 1.00 0.84 H new ATOM 0 HA ASN A 15 -11.853 -2.857 -4.674 1.00 0.75 H new ATOM 0 HB2 ASN A 15 -11.394 -0.596 -5.408 1.00 0.90 H new ATOM 0 HB3 ASN A 15 -12.779 -1.174 -6.313 1.00 0.90 H new ATOM 0 HD21 ASN A 15 -13.096 2.327 -4.429 1.00 2.31 H new ATOM 0 HD22 ASN A 15 -11.587 1.533 -4.890 1.00 2.31 H new ATOM 221 N ALA A 16 -10.880 -1.637 -2.683 1.00 0.62 N ATOM 222 CA ALA A 16 -10.240 -1.428 -1.384 1.00 0.62 C ATOM 223 C ALA A 16 -8.827 -0.836 -1.560 1.00 0.59 C ATOM 224 O ALA A 16 -8.456 -0.420 -2.659 1.00 0.50 O ATOM 225 CB ALA A 16 -10.277 -2.745 -0.602 1.00 0.74 C ATOM 0 H ALA A 16 -10.194 -1.749 -3.430 1.00 0.62 H new ATOM 0 HA ALA A 16 -10.784 -0.688 -0.796 1.00 0.62 H new ATOM 0 HB1 ALA A 16 -9.803 -2.605 0.369 1.00 0.74 H new ATOM 0 HB2 ALA A 16 -11.312 -3.054 -0.459 1.00 0.74 H new ATOM 0 HB3 ALA A 16 -9.742 -3.514 -1.159 1.00 0.74 H new ATOM 231 N ALA A 17 -8.047 -0.741 -0.485 1.00 0.73 N ATOM 232 CA ALA A 17 -6.686 -0.195 -0.474 1.00 0.73 C ATOM 233 C ALA A 17 -5.847 -0.912 0.602 1.00 0.88 C ATOM 234 O ALA A 17 -6.425 -1.453 1.544 1.00 1.11 O ATOM 235 CB ALA A 17 -6.779 1.317 -0.222 1.00 0.73 C ATOM 0 H ALA A 17 -8.354 -1.052 0.437 1.00 0.73 H new ATOM 0 HA ALA A 17 -6.189 -0.360 -1.430 1.00 0.73 H new ATOM 0 HB1 ALA A 17 -5.777 1.746 -0.209 1.00 0.73 H new ATOM 0 HB2 ALA A 17 -7.363 1.783 -1.015 1.00 0.73 H new ATOM 0 HB3 ALA A 17 -7.263 1.497 0.738 1.00 0.73 H new ATOM 241 N ALA A 18 -4.511 -0.880 0.530 1.00 0.76 N ATOM 242 CA ALA A 18 -3.621 -1.479 1.538 1.00 0.80 C ATOM 243 C ALA A 18 -2.458 -0.551 1.933 1.00 0.67 C ATOM 244 O ALA A 18 -1.755 -0.007 1.077 1.00 0.69 O ATOM 245 CB ALA A 18 -3.110 -2.835 1.030 1.00 0.88 C ATOM 0 H ALA A 18 -4.010 -0.433 -0.238 1.00 0.76 H new ATOM 0 HA ALA A 18 -4.201 -1.631 2.448 1.00 0.80 H new ATOM 0 HB1 ALA A 18 -2.451 -3.278 1.777 1.00 0.88 H new ATOM 0 HB2 ALA A 18 -3.956 -3.499 0.852 1.00 0.88 H new ATOM 0 HB3 ALA A 18 -2.560 -2.691 0.100 1.00 0.88 H new ATOM 251 N TYR A 19 -2.259 -0.396 3.246 1.00 0.63 N ATOM 252 CA TYR A 19 -1.330 0.540 3.886 1.00 0.61 C ATOM 253 C TYR A 19 -0.344 -0.223 4.796 1.00 0.65 C ATOM 254 O TYR A 19 -0.551 -0.345 6.005 1.00 1.15 O ATOM 255 CB TYR A 19 -2.158 1.571 4.678 1.00 0.85 C ATOM 256 CG TYR A 19 -3.136 2.371 3.839 1.00 1.11 C ATOM 257 CD1 TYR A 19 -4.429 1.879 3.578 1.00 2.50 C ATOM 258 CD2 TYR A 19 -2.740 3.604 3.289 1.00 1.90 C ATOM 259 CE1 TYR A 19 -5.300 2.597 2.735 1.00 2.81 C ATOM 260 CE2 TYR A 19 -3.632 4.364 2.511 1.00 2.25 C ATOM 261 CZ TYR A 19 -4.904 3.840 2.198 1.00 2.08 C ATOM 262 OH TYR A 19 -5.747 4.527 1.380 1.00 2.66 O ATOM 0 H TYR A 19 -2.772 -0.953 3.930 1.00 0.63 H new ATOM 0 HA TYR A 19 -0.733 1.061 3.138 1.00 0.61 H new ATOM 0 HB2 TYR A 19 -2.711 1.050 5.460 1.00 0.85 H new ATOM 0 HB3 TYR A 19 -1.476 2.261 5.175 1.00 0.85 H new ATOM 0 HD1 TYR A 19 -4.753 0.951 4.024 1.00 2.50 H new ATOM 0 HD2 TYR A 19 -1.740 3.971 3.466 1.00 1.90 H new ATOM 0 HE1 TYR A 19 -6.274 2.195 2.499 1.00 2.81 H new ATOM 0 HE2 TYR A 19 -3.345 5.343 2.155 1.00 2.25 H new ATOM 0 HH TYR A 19 -5.320 5.363 1.098 1.00 2.66 H new ATOM 272 N LEU A 20 0.713 -0.783 4.196 1.00 0.95 N ATOM 273 CA LEU A 20 1.690 -1.652 4.865 1.00 0.96 C ATOM 274 C LEU A 20 2.912 -0.902 5.425 1.00 0.95 C ATOM 275 O LEU A 20 3.286 0.161 4.919 1.00 0.90 O ATOM 276 CB LEU A 20 2.083 -2.805 3.916 1.00 1.01 C ATOM 277 CG LEU A 20 2.973 -2.427 2.708 1.00 1.03 C ATOM 278 CD1 LEU A 20 4.477 -2.541 3.021 1.00 1.91 C ATOM 279 CD2 LEU A 20 2.642 -3.348 1.527 1.00 1.47 C ATOM 0 H LEU A 20 0.918 -0.641 3.207 1.00 0.95 H new ATOM 0 HA LEU A 20 1.210 -2.068 5.750 1.00 0.96 H new ATOM 0 HB2 LEU A 20 2.603 -3.565 4.499 1.00 1.01 H new ATOM 0 HB3 LEU A 20 1.169 -3.263 3.537 1.00 1.01 H new ATOM 0 HG LEU A 20 2.763 -1.385 2.465 1.00 1.03 H new ATOM 0 HD11 LEU A 20 5.054 -2.264 2.139 1.00 1.91 H new ATOM 0 HD12 LEU A 20 4.729 -1.872 3.844 1.00 1.91 H new ATOM 0 HD13 LEU A 20 4.713 -3.567 3.302 1.00 1.91 H new ATOM 0 HD21 LEU A 20 3.267 -3.085 0.674 1.00 1.47 H new ATOM 0 HD22 LEU A 20 2.831 -4.384 1.809 1.00 1.47 H new ATOM 0 HD23 LEU A 20 1.592 -3.231 1.257 1.00 1.47 H new ATOM 291 N THR A 21 3.565 -1.541 6.403 1.00 1.15 N ATOM 292 CA THR A 21 4.927 -1.242 6.862 1.00 1.25 C ATOM 293 C THR A 21 5.786 -2.483 6.662 1.00 1.77 C ATOM 294 O THR A 21 5.300 -3.605 6.799 1.00 2.13 O ATOM 295 CB THR A 21 4.953 -0.817 8.334 1.00 1.51 C ATOM 296 OG1 THR A 21 4.059 0.250 8.527 1.00 2.08 O ATOM 297 CG2 THR A 21 6.334 -0.343 8.800 1.00 1.78 C ATOM 0 H THR A 21 3.141 -2.313 6.918 1.00 1.15 H new ATOM 0 HA THR A 21 5.317 -0.407 6.280 1.00 1.25 H new ATOM 0 HB THR A 21 4.677 -1.699 8.913 1.00 1.51 H new ATOM 0 HG1 THR A 21 3.397 0.003 9.206 1.00 2.08 H new ATOM 0 HG21 THR A 21 6.285 -0.056 9.850 1.00 1.78 H new ATOM 0 HG22 THR A 21 7.056 -1.150 8.677 1.00 1.78 H new ATOM 0 HG23 THR A 21 6.644 0.515 8.204 1.00 1.78 H new ATOM 305 N LEU A 22 7.047 -2.242 6.308 1.00 2.02 N ATOM 306 CA LEU A 22 8.153 -3.189 6.173 1.00 2.63 C ATOM 307 C LEU A 22 9.467 -2.387 6.281 1.00 1.88 C ATOM 308 O LEU A 22 9.447 -1.151 6.292 1.00 1.71 O ATOM 309 CB LEU A 22 7.951 -3.979 4.856 1.00 3.61 C ATOM 310 CG LEU A 22 9.060 -4.963 4.435 1.00 4.22 C ATOM 311 CD1 LEU A 22 9.310 -6.058 5.484 1.00 5.03 C ATOM 312 CD2 LEU A 22 8.663 -5.602 3.101 1.00 4.14 C ATOM 0 H LEU A 22 7.348 -1.293 6.088 1.00 2.02 H new ATOM 0 HA LEU A 22 8.193 -3.941 6.961 1.00 2.63 H new ATOM 0 HB2 LEU A 22 7.020 -4.539 4.940 1.00 3.61 H new ATOM 0 HB3 LEU A 22 7.818 -3.258 4.049 1.00 3.61 H new ATOM 0 HG LEU A 22 9.990 -4.403 4.338 1.00 4.22 H new ATOM 0 HD11 LEU A 22 10.101 -6.722 5.135 1.00 5.03 H new ATOM 0 HD12 LEU A 22 9.611 -5.598 6.425 1.00 5.03 H new ATOM 0 HD13 LEU A 22 8.396 -6.631 5.637 1.00 5.03 H new ATOM 0 HD21 LEU A 22 9.438 -6.302 2.788 1.00 4.14 H new ATOM 0 HD22 LEU A 22 7.719 -6.134 3.219 1.00 4.14 H new ATOM 0 HD23 LEU A 22 8.549 -4.825 2.345 1.00 4.14 H new ATOM 324 N GLU A 23 10.624 -3.043 6.356 1.00 1.65 N ATOM 325 CA GLU A 23 11.943 -2.415 6.509 1.00 1.28 C ATOM 326 C GLU A 23 12.931 -3.114 5.545 1.00 1.29 C ATOM 327 O GLU A 23 12.782 -4.306 5.284 1.00 1.70 O ATOM 328 CB GLU A 23 12.380 -2.434 8.003 1.00 1.75 C ATOM 329 CG GLU A 23 11.207 -2.111 8.968 1.00 2.75 C ATOM 330 CD GLU A 23 11.559 -1.570 10.355 1.00 3.60 C ATOM 331 OE1 GLU A 23 12.466 -0.720 10.440 1.00 4.42 O ATOM 332 OE2 GLU A 23 10.751 -1.778 11.294 1.00 4.40 O ATOM 0 H GLU A 23 10.675 -4.061 6.311 1.00 1.65 H new ATOM 0 HA GLU A 23 11.918 -1.361 6.234 1.00 1.28 H new ATOM 0 HB2 GLU A 23 12.788 -3.415 8.247 1.00 1.75 H new ATOM 0 HB3 GLU A 23 13.181 -1.710 8.154 1.00 1.75 H new ATOM 0 HG2 GLU A 23 10.560 -1.384 8.478 1.00 2.75 H new ATOM 0 HG3 GLU A 23 10.621 -3.021 9.101 1.00 2.75 H new ATOM 339 N ASN A 24 13.891 -2.381 4.962 1.00 0.93 N ATOM 340 CA ASN A 24 14.908 -2.895 4.027 1.00 0.85 C ATOM 341 C ASN A 24 16.216 -3.170 4.791 1.00 0.83 C ATOM 342 O ASN A 24 16.915 -2.218 5.143 1.00 0.93 O ATOM 343 CB ASN A 24 15.193 -1.877 2.897 1.00 0.87 C ATOM 344 CG ASN A 24 16.270 -2.377 1.927 1.00 0.87 C ATOM 345 OD1 ASN A 24 16.578 -3.561 1.868 1.00 1.40 O ATOM 346 ND2 ASN A 24 16.885 -1.498 1.165 1.00 0.88 N ATOM 0 H ASN A 24 13.986 -1.380 5.133 1.00 0.93 H new ATOM 0 HA ASN A 24 14.526 -3.814 3.583 1.00 0.85 H new ATOM 0 HB2 ASN A 24 14.273 -1.681 2.346 1.00 0.87 H new ATOM 0 HB3 ASN A 24 15.511 -0.931 3.334 1.00 0.87 H new ATOM 0 HD21 ASN A 24 17.618 -1.803 0.525 1.00 0.88 H new ATOM 0 HD22 ASN A 24 16.628 -0.512 1.214 1.00 0.88 H new ATOM 353 N PRO A 25 16.583 -4.438 5.040 1.00 0.91 N ATOM 354 CA PRO A 25 17.838 -4.781 5.703 1.00 1.10 C ATOM 355 C PRO A 25 19.057 -4.788 4.771 1.00 1.16 C ATOM 356 O PRO A 25 20.175 -4.941 5.264 1.00 1.35 O ATOM 357 CB PRO A 25 17.584 -6.181 6.275 1.00 1.31 C ATOM 358 CG PRO A 25 16.648 -6.797 5.233 1.00 1.25 C ATOM 359 CD PRO A 25 15.759 -5.624 4.852 1.00 1.04 C ATOM 0 HA PRO A 25 18.090 -4.034 6.456 1.00 1.10 H new ATOM 0 HB2 PRO A 25 18.507 -6.751 6.379 1.00 1.31 H new ATOM 0 HB3 PRO A 25 17.122 -6.139 7.262 1.00 1.31 H new ATOM 0 HG2 PRO A 25 17.196 -7.186 4.375 1.00 1.25 H new ATOM 0 HG3 PRO A 25 16.072 -7.625 5.645 1.00 1.25 H new ATOM 0 HD2 PRO A 25 15.420 -5.707 3.819 1.00 1.04 H new ATOM 0 HD3 PRO A 25 14.868 -5.587 5.478 1.00 1.04 H new ATOM 367 N GLY A 26 18.879 -4.639 3.452 1.00 1.08 N ATOM 368 CA GLY A 26 19.943 -4.770 2.472 1.00 1.17 C ATOM 369 C GLY A 26 20.861 -3.559 2.418 1.00 1.17 C ATOM 370 O GLY A 26 20.601 -2.495 2.973 1.00 1.44 O ATOM 0 H GLY A 26 17.973 -4.420 3.038 1.00 1.08 H new ATOM 0 HA2 GLY A 26 20.534 -5.656 2.704 1.00 1.17 H new ATOM 0 HA3 GLY A 26 19.503 -4.929 1.487 1.00 1.17 H new ATOM 374 N ASP A 27 21.957 -3.775 1.710 1.00 1.16 N ATOM 375 CA ASP A 27 23.073 -2.870 1.462 1.00 1.43 C ATOM 376 C ASP A 27 22.989 -2.235 0.062 1.00 1.37 C ATOM 377 O ASP A 27 23.772 -1.362 -0.301 1.00 1.55 O ATOM 378 CB ASP A 27 24.322 -3.737 1.624 1.00 1.75 C ATOM 379 CG ASP A 27 24.487 -4.152 3.086 1.00 2.11 C ATOM 380 OD1 ASP A 27 25.009 -3.346 3.886 1.00 3.05 O ATOM 381 OD2 ASP A 27 23.919 -5.193 3.484 1.00 2.49 O ATOM 0 H ASP A 27 22.104 -4.673 1.250 1.00 1.16 H new ATOM 0 HA ASP A 27 23.076 -2.026 2.152 1.00 1.43 H new ATOM 0 HB2 ASP A 27 24.244 -4.622 0.993 1.00 1.75 H new ATOM 0 HB3 ASP A 27 25.202 -3.186 1.293 1.00 1.75 H new ATOM 386 N LEU A 28 21.965 -2.645 -0.692 1.00 1.16 N ATOM 387 CA LEU A 28 21.530 -2.104 -1.974 1.00 1.10 C ATOM 388 C LEU A 28 20.104 -1.525 -1.856 1.00 1.01 C ATOM 389 O LEU A 28 19.373 -1.894 -0.927 1.00 0.99 O ATOM 390 CB LEU A 28 21.696 -3.217 -3.028 1.00 1.16 C ATOM 391 CG LEU A 28 20.798 -4.467 -2.877 1.00 1.57 C ATOM 392 CD1 LEU A 28 19.405 -4.289 -3.508 1.00 2.18 C ATOM 393 CD2 LEU A 28 21.478 -5.668 -3.552 1.00 1.89 C ATOM 0 H LEU A 28 21.376 -3.423 -0.395 1.00 1.16 H new ATOM 0 HA LEU A 28 22.139 -1.259 -2.294 1.00 1.10 H new ATOM 0 HB2 LEU A 28 21.510 -2.783 -4.011 1.00 1.16 H new ATOM 0 HB3 LEU A 28 22.736 -3.543 -3.015 1.00 1.16 H new ATOM 0 HG LEU A 28 20.664 -4.628 -1.807 1.00 1.57 H new ATOM 0 HD11 LEU A 28 18.823 -5.200 -3.369 1.00 2.18 H new ATOM 0 HD12 LEU A 28 18.893 -3.455 -3.029 1.00 2.18 H new ATOM 0 HD13 LEU A 28 19.512 -4.086 -4.574 1.00 2.18 H new ATOM 0 HD21 LEU A 28 20.847 -6.550 -3.447 1.00 1.89 H new ATOM 0 HD22 LEU A 28 21.628 -5.454 -4.610 1.00 1.89 H new ATOM 0 HD23 LEU A 28 22.442 -5.853 -3.079 1.00 1.89 H new ATOM 405 N PRO A 29 19.684 -0.623 -2.766 1.00 1.00 N ATOM 406 CA PRO A 29 18.383 0.026 -2.693 1.00 0.95 C ATOM 407 C PRO A 29 17.278 -0.895 -3.225 1.00 0.91 C ATOM 408 O PRO A 29 17.431 -1.557 -4.254 1.00 1.08 O ATOM 409 CB PRO A 29 18.513 1.305 -3.522 1.00 0.99 C ATOM 410 CG PRO A 29 19.565 0.942 -4.572 1.00 1.05 C ATOM 411 CD PRO A 29 20.454 -0.100 -3.885 1.00 1.07 C ATOM 0 HA PRO A 29 18.100 0.256 -1.666 1.00 0.95 H new ATOM 0 HB2 PRO A 29 17.565 1.583 -3.983 1.00 0.99 H new ATOM 0 HB3 PRO A 29 18.830 2.150 -2.910 1.00 0.99 H new ATOM 0 HG2 PRO A 29 19.103 0.537 -5.472 1.00 1.05 H new ATOM 0 HG3 PRO A 29 20.141 1.816 -4.875 1.00 1.05 H new ATOM 0 HD2 PRO A 29 20.724 -0.897 -4.577 1.00 1.07 H new ATOM 0 HD3 PRO A 29 21.384 0.350 -3.539 1.00 1.07 H new ATOM 419 N LEU A 30 16.145 -0.906 -2.519 1.00 0.74 N ATOM 420 CA LEU A 30 14.942 -1.657 -2.878 1.00 0.64 C ATOM 421 C LEU A 30 13.954 -0.803 -3.663 1.00 0.58 C ATOM 422 O LEU A 30 13.909 0.424 -3.579 1.00 0.66 O ATOM 423 CB LEU A 30 14.270 -2.247 -1.626 1.00 0.67 C ATOM 424 CG LEU A 30 14.735 -3.657 -1.217 1.00 0.66 C ATOM 425 CD1 LEU A 30 13.921 -4.772 -1.875 1.00 2.10 C ATOM 426 CD2 LEU A 30 16.230 -3.946 -1.419 1.00 2.16 C ATOM 0 H LEU A 30 16.037 -0.375 -1.655 1.00 0.74 H new ATOM 0 HA LEU A 30 15.254 -2.477 -3.524 1.00 0.64 H new ATOM 0 HB2 LEU A 30 14.445 -1.570 -0.790 1.00 0.67 H new ATOM 0 HB3 LEU A 30 13.193 -2.274 -1.793 1.00 0.67 H new ATOM 0 HG LEU A 30 14.554 -3.655 -0.142 1.00 0.66 H new ATOM 0 HD11 LEU A 30 14.298 -5.740 -1.546 1.00 2.10 H new ATOM 0 HD12 LEU A 30 12.873 -4.675 -1.590 1.00 2.10 H new ATOM 0 HD13 LEU A 30 14.010 -4.697 -2.959 1.00 2.10 H new ATOM 0 HD21 LEU A 30 16.450 -4.965 -1.100 1.00 2.16 H new ATOM 0 HD22 LEU A 30 16.483 -3.833 -2.473 1.00 2.16 H new ATOM 0 HD23 LEU A 30 16.819 -3.245 -0.828 1.00 2.16 H new ATOM 438 N ARG A 31 13.122 -1.522 -4.411 1.00 0.57 N ATOM 439 CA ARG A 31 12.287 -0.977 -5.498 1.00 0.50 C ATOM 440 C ARG A 31 11.030 -1.817 -5.668 1.00 0.49 C ATOM 441 O ARG A 31 11.077 -2.884 -6.283 1.00 0.51 O ATOM 442 CB ARG A 31 13.109 -0.942 -6.797 1.00 0.56 C ATOM 443 CG ARG A 31 12.438 -0.335 -8.047 1.00 0.91 C ATOM 444 CD ARG A 31 12.780 1.140 -8.294 1.00 0.69 C ATOM 445 NE ARG A 31 14.231 1.372 -8.438 1.00 1.05 N ATOM 446 CZ ARG A 31 14.821 2.526 -8.162 1.00 1.60 C ATOM 447 NH1 ARG A 31 14.152 3.654 -8.196 1.00 2.86 N ATOM 448 NH2 ARG A 31 16.079 2.561 -7.789 1.00 2.20 N ATOM 0 H ARG A 31 13.001 -2.526 -4.281 1.00 0.57 H new ATOM 0 HA ARG A 31 11.977 0.038 -5.250 1.00 0.50 H new ATOM 0 HB2 ARG A 31 14.024 -0.383 -6.601 1.00 0.56 H new ATOM 0 HB3 ARG A 31 13.404 -1.964 -7.036 1.00 0.56 H new ATOM 0 HG2 ARG A 31 12.733 -0.915 -8.921 1.00 0.91 H new ATOM 0 HG3 ARG A 31 11.357 -0.434 -7.949 1.00 0.91 H new ATOM 0 HD2 ARG A 31 12.270 1.481 -9.195 1.00 0.69 H new ATOM 0 HD3 ARG A 31 12.401 1.740 -7.467 1.00 0.69 H new ATOM 0 HE ARG A 31 14.812 0.601 -8.768 1.00 1.05 H new ATOM 0 HH11 ARG A 31 13.161 3.652 -8.438 1.00 2.86 H new ATOM 0 HH12 ARG A 31 14.623 4.533 -7.981 1.00 2.86 H new ATOM 0 HH21 ARG A 31 16.612 1.695 -7.709 1.00 2.20 H new ATOM 0 HH22 ARG A 31 16.524 3.454 -7.579 1.00 2.20 H new ATOM 462 N LEU A 32 9.929 -1.358 -5.087 1.00 0.50 N ATOM 463 CA LEU A 32 8.625 -2.019 -5.076 1.00 0.51 C ATOM 464 C LEU A 32 7.901 -1.621 -6.358 1.00 0.53 C ATOM 465 O LEU A 32 7.626 -0.442 -6.530 1.00 0.60 O ATOM 466 CB LEU A 32 7.933 -1.552 -3.784 1.00 0.53 C ATOM 467 CG LEU A 32 6.467 -1.975 -3.547 1.00 0.61 C ATOM 468 CD1 LEU A 32 6.166 -1.830 -2.047 1.00 1.85 C ATOM 469 CD2 LEU A 32 5.485 -1.108 -4.356 1.00 2.28 C ATOM 0 H LEU A 32 9.918 -0.470 -4.585 1.00 0.50 H new ATOM 0 HA LEU A 32 8.660 -3.108 -5.067 1.00 0.51 H new ATOM 0 HB2 LEU A 32 8.524 -1.912 -2.941 1.00 0.53 H new ATOM 0 HB3 LEU A 32 7.973 -0.463 -3.760 1.00 0.53 H new ATOM 0 HG LEU A 32 6.339 -3.006 -3.876 1.00 0.61 H new ATOM 0 HD11 LEU A 32 5.134 -2.123 -1.853 1.00 1.85 H new ATOM 0 HD12 LEU A 32 6.839 -2.471 -1.477 1.00 1.85 H new ATOM 0 HD13 LEU A 32 6.311 -0.793 -1.745 1.00 1.85 H new ATOM 0 HD21 LEU A 32 4.464 -1.437 -4.162 1.00 2.28 H new ATOM 0 HD22 LEU A 32 5.592 -0.064 -4.060 1.00 2.28 H new ATOM 0 HD23 LEU A 32 5.702 -1.208 -5.419 1.00 2.28 H new ATOM 481 N VAL A 33 7.619 -2.569 -7.245 1.00 0.53 N ATOM 482 CA VAL A 33 7.034 -2.312 -8.579 1.00 0.56 C ATOM 483 C VAL A 33 5.609 -2.897 -8.708 1.00 0.63 C ATOM 484 O VAL A 33 4.882 -2.551 -9.635 1.00 0.73 O ATOM 485 CB VAL A 33 7.935 -2.905 -9.697 1.00 0.56 C ATOM 486 CG1 VAL A 33 9.331 -2.252 -9.711 1.00 0.49 C ATOM 487 CG2 VAL A 33 8.144 -4.429 -9.581 1.00 0.60 C ATOM 0 H VAL A 33 7.789 -3.558 -7.065 1.00 0.53 H new ATOM 0 HA VAL A 33 6.972 -1.230 -8.693 1.00 0.56 H new ATOM 0 HB VAL A 33 7.394 -2.691 -10.619 1.00 0.56 H new ATOM 0 HG11 VAL A 33 9.931 -2.694 -10.507 1.00 0.49 H new ATOM 0 HG12 VAL A 33 9.230 -1.181 -9.885 1.00 0.49 H new ATOM 0 HG13 VAL A 33 9.821 -2.419 -8.752 1.00 0.49 H new ATOM 0 HG21 VAL A 33 8.783 -4.772 -10.395 1.00 0.60 H new ATOM 0 HG22 VAL A 33 8.617 -4.660 -8.627 1.00 0.60 H new ATOM 0 HG23 VAL A 33 7.180 -4.934 -9.639 1.00 0.60 H new ATOM 497 N GLY A 34 5.215 -3.810 -7.807 1.00 0.61 N ATOM 498 CA GLY A 34 3.910 -4.479 -7.775 1.00 0.65 C ATOM 499 C GLY A 34 3.560 -5.060 -6.407 1.00 0.64 C ATOM 500 O GLY A 34 4.347 -4.985 -5.461 1.00 0.62 O ATOM 0 H GLY A 34 5.826 -4.114 -7.049 1.00 0.61 H new ATOM 0 HA2 GLY A 34 3.138 -3.767 -8.068 1.00 0.65 H new ATOM 0 HA3 GLY A 34 3.902 -5.280 -8.514 1.00 0.65 H new ATOM 504 N ALA A 35 2.413 -5.741 -6.350 1.00 0.67 N ATOM 505 CA ALA A 35 2.002 -6.622 -5.252 1.00 0.69 C ATOM 506 C ALA A 35 1.020 -7.721 -5.704 1.00 0.66 C ATOM 507 O ALA A 35 0.615 -7.803 -6.864 1.00 0.68 O ATOM 508 CB ALA A 35 1.433 -5.783 -4.098 1.00 0.66 C ATOM 0 H ALA A 35 1.718 -5.693 -7.095 1.00 0.67 H new ATOM 0 HA ALA A 35 2.887 -7.150 -4.898 1.00 0.69 H new ATOM 0 HB1 ALA A 35 1.129 -6.442 -3.285 1.00 0.66 H new ATOM 0 HB2 ALA A 35 2.196 -5.092 -3.740 1.00 0.66 H new ATOM 0 HB3 ALA A 35 0.569 -5.219 -4.450 1.00 0.66 H new ATOM 514 N ARG A 36 0.659 -8.564 -4.738 1.00 0.63 N ATOM 515 CA ARG A 36 -0.279 -9.680 -4.780 1.00 0.61 C ATOM 516 C ARG A 36 -0.881 -9.866 -3.379 1.00 0.57 C ATOM 517 O ARG A 36 -0.293 -9.455 -2.380 1.00 0.70 O ATOM 518 CB ARG A 36 0.471 -10.961 -5.197 1.00 0.67 C ATOM 519 CG ARG A 36 0.526 -11.223 -6.706 1.00 1.20 C ATOM 520 CD ARG A 36 -0.864 -11.451 -7.308 1.00 2.07 C ATOM 521 NE ARG A 36 -0.751 -12.197 -8.571 1.00 2.69 N ATOM 522 CZ ARG A 36 -1.538 -13.185 -8.984 1.00 3.60 C ATOM 523 NH1 ARG A 36 -2.659 -13.493 -8.364 1.00 4.47 N ATOM 524 NH2 ARG A 36 -1.205 -13.879 -10.050 1.00 4.41 N ATOM 0 H ARG A 36 1.062 -8.469 -3.806 1.00 0.63 H new ATOM 0 HA ARG A 36 -1.072 -9.479 -5.501 1.00 0.61 H new ATOM 0 HB2 ARG A 36 1.491 -10.906 -4.817 1.00 0.67 H new ATOM 0 HB3 ARG A 36 -0.004 -11.815 -4.713 1.00 0.67 H new ATOM 0 HG2 ARG A 36 1.000 -10.376 -7.202 1.00 1.20 H new ATOM 0 HG3 ARG A 36 1.150 -12.096 -6.898 1.00 1.20 H new ATOM 0 HD2 ARG A 36 -1.487 -12.003 -6.605 1.00 2.07 H new ATOM 0 HD3 ARG A 36 -1.354 -10.494 -7.485 1.00 2.07 H new ATOM 0 HE ARG A 36 0.010 -11.928 -9.194 1.00 2.69 H new ATOM 0 HH11 ARG A 36 -2.947 -12.966 -7.539 1.00 4.47 H new ATOM 0 HH12 ARG A 36 -3.239 -14.258 -8.709 1.00 4.47 H new ATOM 0 HH21 ARG A 36 -0.347 -13.658 -10.555 1.00 4.41 H new ATOM 0 HH22 ARG A 36 -1.805 -14.639 -10.372 1.00 4.41 H new ATOM 538 N THR A 37 -2.038 -10.523 -3.319 1.00 0.51 N ATOM 539 CA THR A 37 -2.817 -10.884 -2.123 1.00 0.53 C ATOM 540 C THR A 37 -3.980 -11.764 -2.588 1.00 0.55 C ATOM 541 O THR A 37 -4.394 -11.605 -3.740 1.00 0.55 O ATOM 542 CB THR A 37 -3.289 -9.635 -1.365 1.00 0.54 C ATOM 543 OG1 THR A 37 -4.171 -9.990 -0.339 1.00 0.61 O ATOM 544 CG2 THR A 37 -4.023 -8.597 -2.213 1.00 0.51 C ATOM 0 H THR A 37 -2.497 -10.845 -4.171 1.00 0.51 H new ATOM 0 HA THR A 37 -2.203 -11.437 -1.412 1.00 0.53 H new ATOM 0 HB THR A 37 -2.364 -9.188 -1.002 1.00 0.54 H new ATOM 0 HG1 THR A 37 -3.661 -10.220 0.466 1.00 0.61 H new ATOM 0 HG21 THR A 37 -4.314 -7.755 -1.585 1.00 0.51 H new ATOM 0 HG22 THR A 37 -3.366 -8.246 -3.009 1.00 0.51 H new ATOM 0 HG23 THR A 37 -4.913 -9.048 -2.651 1.00 0.51 H new ATOM 552 N PRO A 38 -4.520 -12.678 -1.759 1.00 0.67 N ATOM 553 CA PRO A 38 -5.648 -13.507 -2.164 1.00 0.78 C ATOM 554 C PRO A 38 -6.978 -12.757 -2.187 1.00 0.72 C ATOM 555 O PRO A 38 -7.921 -13.228 -2.809 1.00 0.98 O ATOM 556 CB PRO A 38 -5.658 -14.678 -1.183 1.00 0.97 C ATOM 557 CG PRO A 38 -5.009 -14.126 0.081 1.00 0.97 C ATOM 558 CD PRO A 38 -4.025 -13.084 -0.449 1.00 0.83 C ATOM 0 HA PRO A 38 -5.530 -13.841 -3.195 1.00 0.78 H new ATOM 0 HB2 PRO A 38 -6.673 -15.024 -0.989 1.00 0.97 H new ATOM 0 HB3 PRO A 38 -5.101 -15.529 -1.576 1.00 0.97 H new ATOM 0 HG2 PRO A 38 -5.746 -13.679 0.748 1.00 0.97 H new ATOM 0 HG3 PRO A 38 -4.501 -14.908 0.645 1.00 0.97 H new ATOM 0 HD2 PRO A 38 -3.964 -12.229 0.225 1.00 0.83 H new ATOM 0 HD3 PRO A 38 -3.021 -13.502 -0.526 1.00 0.83 H new ATOM 566 N VAL A 39 -7.050 -11.586 -1.554 1.00 0.54 N ATOM 567 CA VAL A 39 -8.273 -10.759 -1.467 1.00 0.53 C ATOM 568 C VAL A 39 -8.247 -9.578 -2.441 1.00 0.50 C ATOM 569 O VAL A 39 -8.829 -8.529 -2.182 1.00 0.61 O ATOM 570 CB VAL A 39 -8.531 -10.292 -0.018 1.00 0.60 C ATOM 571 CG1 VAL A 39 -8.598 -11.499 0.924 1.00 0.75 C ATOM 572 CG2 VAL A 39 -7.439 -9.352 0.496 1.00 0.70 C ATOM 0 H VAL A 39 -6.251 -11.170 -1.076 1.00 0.54 H new ATOM 0 HA VAL A 39 -9.107 -11.393 -1.767 1.00 0.53 H new ATOM 0 HB VAL A 39 -9.479 -9.754 -0.032 1.00 0.60 H new ATOM 0 HG11 VAL A 39 -8.780 -11.156 1.942 1.00 0.75 H new ATOM 0 HG12 VAL A 39 -9.408 -12.159 0.613 1.00 0.75 H new ATOM 0 HG13 VAL A 39 -7.653 -12.042 0.888 1.00 0.75 H new ATOM 0 HG21 VAL A 39 -7.668 -9.053 1.519 1.00 0.70 H new ATOM 0 HG22 VAL A 39 -6.478 -9.865 0.475 1.00 0.70 H new ATOM 0 HG23 VAL A 39 -7.392 -8.467 -0.139 1.00 0.70 H new ATOM 582 N ALA A 40 -7.612 -9.760 -3.599 1.00 0.46 N ATOM 583 CA ALA A 40 -7.751 -8.869 -4.744 1.00 0.46 C ATOM 584 C ALA A 40 -7.437 -9.641 -6.031 1.00 0.57 C ATOM 585 O ALA A 40 -6.513 -10.448 -6.090 1.00 0.90 O ATOM 586 CB ALA A 40 -6.822 -7.659 -4.580 1.00 0.53 C ATOM 0 H ALA A 40 -6.979 -10.542 -3.767 1.00 0.46 H new ATOM 0 HA ALA A 40 -8.775 -8.500 -4.804 1.00 0.46 H new ATOM 0 HB1 ALA A 40 -6.931 -6.997 -5.439 1.00 0.53 H new ATOM 0 HB2 ALA A 40 -7.085 -7.119 -3.671 1.00 0.53 H new ATOM 0 HB3 ALA A 40 -5.789 -8.000 -4.513 1.00 0.53 H new ATOM 592 N GLU A 41 -8.217 -9.367 -7.065 1.00 0.59 N ATOM 593 CA GLU A 41 -8.041 -9.900 -8.411 1.00 0.77 C ATOM 594 C GLU A 41 -7.060 -9.036 -9.217 1.00 0.78 C ATOM 595 O GLU A 41 -6.311 -9.536 -10.054 1.00 1.07 O ATOM 596 CB GLU A 41 -9.431 -9.871 -9.042 1.00 0.93 C ATOM 597 CG GLU A 41 -9.551 -10.562 -10.396 1.00 1.16 C ATOM 598 CD GLU A 41 -10.987 -10.378 -10.862 1.00 2.46 C ATOM 599 OE1 GLU A 41 -11.873 -10.994 -10.228 1.00 3.12 O ATOM 600 OE2 GLU A 41 -11.196 -9.542 -11.772 1.00 3.79 O ATOM 0 H GLU A 41 -9.021 -8.744 -6.989 1.00 0.59 H new ATOM 0 HA GLU A 41 -7.624 -10.907 -8.395 1.00 0.77 H new ATOM 0 HB2 GLU A 41 -10.134 -10.337 -8.352 1.00 0.93 H new ATOM 0 HB3 GLU A 41 -9.738 -8.831 -9.156 1.00 0.93 H new ATOM 0 HG2 GLU A 41 -8.854 -10.129 -11.113 1.00 1.16 H new ATOM 0 HG3 GLU A 41 -9.305 -11.621 -10.312 1.00 1.16 H new ATOM 607 N ARG A 42 -7.079 -7.723 -8.957 1.00 0.65 N ATOM 608 CA ARG A 42 -6.353 -6.678 -9.664 1.00 0.82 C ATOM 609 C ARG A 42 -5.829 -5.709 -8.596 1.00 0.78 C ATOM 610 O ARG A 42 -6.489 -5.490 -7.580 1.00 0.81 O ATOM 611 CB ARG A 42 -7.291 -5.980 -10.680 1.00 1.21 C ATOM 612 CG ARG A 42 -8.120 -6.965 -11.536 1.00 2.03 C ATOM 613 CD ARG A 42 -9.086 -6.295 -12.518 1.00 2.63 C ATOM 614 NE ARG A 42 -10.123 -7.255 -12.933 1.00 4.19 N ATOM 615 CZ ARG A 42 -10.918 -7.246 -13.990 1.00 5.44 C ATOM 616 NH1 ARG A 42 -10.877 -6.299 -14.904 1.00 5.60 N ATOM 617 NH2 ARG A 42 -11.780 -8.230 -14.103 1.00 6.94 N ATOM 0 H ARG A 42 -7.642 -7.344 -8.195 1.00 0.65 H new ATOM 0 HA ARG A 42 -5.518 -7.077 -10.240 1.00 0.82 H new ATOM 0 HB2 ARG A 42 -7.970 -5.320 -10.140 1.00 1.21 H new ATOM 0 HB3 ARG A 42 -6.694 -5.352 -11.341 1.00 1.21 H new ATOM 0 HG2 ARG A 42 -7.437 -7.603 -12.096 1.00 2.03 H new ATOM 0 HG3 ARG A 42 -8.690 -7.614 -10.871 1.00 2.03 H new ATOM 0 HD2 ARG A 42 -9.549 -5.426 -12.051 1.00 2.63 H new ATOM 0 HD3 ARG A 42 -8.540 -5.936 -13.391 1.00 2.63 H new ATOM 0 HE ARG A 42 -10.248 -8.051 -12.308 1.00 4.19 H new ATOM 0 HH11 ARG A 42 -10.212 -5.531 -14.813 1.00 5.60 H new ATOM 0 HH12 ARG A 42 -11.510 -6.334 -15.703 1.00 5.60 H new ATOM 0 HH21 ARG A 42 -11.816 -8.960 -13.392 1.00 6.94 H new ATOM 0 HH22 ARG A 42 -12.413 -8.264 -14.902 1.00 6.94 H new ATOM 631 N VAL A 43 -4.643 -5.156 -8.811 1.00 0.97 N ATOM 632 CA VAL A 43 -3.960 -4.230 -7.890 1.00 0.97 C ATOM 633 C VAL A 43 -3.373 -3.060 -8.689 1.00 1.13 C ATOM 634 O VAL A 43 -2.962 -3.254 -9.833 1.00 1.56 O ATOM 635 CB VAL A 43 -2.877 -4.956 -7.050 1.00 1.02 C ATOM 636 CG1 VAL A 43 -1.612 -5.341 -7.838 1.00 1.24 C ATOM 637 CG2 VAL A 43 -2.474 -4.153 -5.805 1.00 1.04 C ATOM 0 H VAL A 43 -4.104 -5.340 -9.657 1.00 0.97 H new ATOM 0 HA VAL A 43 -4.687 -3.838 -7.179 1.00 0.97 H new ATOM 0 HB VAL A 43 -3.361 -5.884 -6.746 1.00 1.02 H new ATOM 0 HG11 VAL A 43 -0.909 -5.843 -7.174 1.00 1.24 H new ATOM 0 HG12 VAL A 43 -1.882 -6.011 -8.655 1.00 1.24 H new ATOM 0 HG13 VAL A 43 -1.149 -4.442 -8.244 1.00 1.24 H new ATOM 0 HG21 VAL A 43 -1.714 -4.701 -5.249 1.00 1.04 H new ATOM 0 HG22 VAL A 43 -2.074 -3.186 -6.110 1.00 1.04 H new ATOM 0 HG23 VAL A 43 -3.348 -4.001 -5.172 1.00 1.04 H new ATOM 647 N GLU A 44 -3.344 -1.876 -8.079 1.00 0.85 N ATOM 648 CA GLU A 44 -2.864 -0.611 -8.642 1.00 0.87 C ATOM 649 C GLU A 44 -1.989 0.097 -7.594 1.00 0.74 C ATOM 650 O GLU A 44 -2.259 -0.029 -6.399 1.00 0.73 O ATOM 651 CB GLU A 44 -4.091 0.258 -8.974 1.00 0.93 C ATOM 652 CG GLU A 44 -3.892 1.183 -10.178 1.00 1.96 C ATOM 653 CD GLU A 44 -5.059 2.168 -10.308 1.00 2.83 C ATOM 654 OE1 GLU A 44 -6.195 1.816 -9.920 1.00 3.17 O ATOM 655 OE2 GLU A 44 -4.781 3.329 -10.682 1.00 3.99 O ATOM 0 H GLU A 44 -3.675 -1.766 -7.120 1.00 0.85 H new ATOM 0 HA GLU A 44 -2.275 -0.782 -9.543 1.00 0.87 H new ATOM 0 HB2 GLU A 44 -4.943 -0.394 -9.166 1.00 0.93 H new ATOM 0 HB3 GLU A 44 -4.342 0.862 -8.102 1.00 0.93 H new ATOM 0 HG2 GLU A 44 -2.957 1.733 -10.069 1.00 1.96 H new ATOM 0 HG3 GLU A 44 -3.809 0.589 -11.088 1.00 1.96 H new ATOM 662 N LEU A 45 -0.952 0.842 -7.991 1.00 0.87 N ATOM 663 CA LEU A 45 -0.037 1.504 -7.046 1.00 0.79 C ATOM 664 C LEU A 45 -0.239 3.024 -7.055 1.00 0.57 C ATOM 665 O LEU A 45 0.012 3.674 -8.070 1.00 0.57 O ATOM 666 CB LEU A 45 1.400 1.079 -7.406 1.00 1.17 C ATOM 667 CG LEU A 45 2.496 1.713 -6.529 1.00 0.63 C ATOM 668 CD1 LEU A 45 2.421 1.301 -5.053 1.00 0.95 C ATOM 669 CD2 LEU A 45 3.866 1.309 -7.084 1.00 1.00 C ATOM 0 H LEU A 45 -0.721 1.005 -8.971 1.00 0.87 H new ATOM 0 HA LEU A 45 -0.245 1.195 -6.022 1.00 0.79 H new ATOM 0 HB2 LEU A 45 1.474 -0.006 -7.329 1.00 1.17 H new ATOM 0 HB3 LEU A 45 1.591 1.338 -8.447 1.00 1.17 H new ATOM 0 HG LEU A 45 2.343 2.792 -6.564 1.00 0.63 H new ATOM 0 HD11 LEU A 45 3.224 1.787 -4.498 1.00 0.95 H new ATOM 0 HD12 LEU A 45 1.459 1.604 -4.639 1.00 0.95 H new ATOM 0 HD13 LEU A 45 2.526 0.219 -4.971 1.00 0.95 H new ATOM 0 HD21 LEU A 45 4.652 1.752 -6.472 1.00 1.00 H new ATOM 0 HD22 LEU A 45 3.960 0.223 -7.066 1.00 1.00 H new ATOM 0 HD23 LEU A 45 3.962 1.664 -8.110 1.00 1.00 H new ATOM 681 N HIS A 46 -0.684 3.596 -5.932 1.00 0.51 N ATOM 682 CA HIS A 46 -1.026 5.014 -5.776 1.00 0.41 C ATOM 683 C HIS A 46 -0.137 5.763 -4.768 1.00 0.42 C ATOM 684 O HIS A 46 0.342 5.201 -3.780 1.00 0.51 O ATOM 685 CB HIS A 46 -2.479 5.129 -5.288 1.00 0.41 C ATOM 686 CG HIS A 46 -3.568 4.704 -6.234 1.00 0.44 C ATOM 687 ND1 HIS A 46 -4.906 4.570 -5.888 1.00 0.42 N ATOM 688 CD2 HIS A 46 -3.456 4.411 -7.560 1.00 0.63 C ATOM 689 CE1 HIS A 46 -5.566 4.200 -6.986 1.00 0.54 C ATOM 690 NE2 HIS A 46 -4.720 4.128 -8.024 1.00 0.74 N ATOM 0 H HIS A 46 -0.821 3.064 -5.073 1.00 0.51 H new ATOM 0 HA HIS A 46 -0.874 5.471 -6.754 1.00 0.41 H new ATOM 0 HB2 HIS A 46 -2.575 4.537 -4.378 1.00 0.41 H new ATOM 0 HB3 HIS A 46 -2.660 6.168 -5.013 1.00 0.41 H new ATOM 0 HD1 HIS A 46 -5.310 4.726 -4.964 1.00 0.42 H new ATOM 0 HD2 HIS A 46 -2.544 4.402 -8.139 1.00 0.63 H new ATOM 0 HE1 HIS A 46 -6.624 3.990 -7.032 1.00 0.54 H new ATOM 698 N GLU A 47 -0.038 7.074 -4.965 1.00 0.40 N ATOM 699 CA GLU A 47 0.362 8.045 -3.944 1.00 0.50 C ATOM 700 C GLU A 47 -0.865 8.688 -3.266 1.00 0.65 C ATOM 701 O GLU A 47 -2.015 8.411 -3.632 1.00 0.85 O ATOM 702 CB GLU A 47 1.290 9.095 -4.570 1.00 0.53 C ATOM 703 CG GLU A 47 0.538 10.226 -5.269 1.00 0.93 C ATOM 704 CD GLU A 47 1.482 11.176 -5.973 1.00 1.15 C ATOM 705 OE1 GLU A 47 2.330 10.712 -6.767 1.00 2.21 O ATOM 706 OE2 GLU A 47 1.214 12.391 -5.894 1.00 2.09 O ATOM 0 H GLU A 47 -0.240 7.506 -5.867 1.00 0.40 H new ATOM 0 HA GLU A 47 0.911 7.527 -3.157 1.00 0.50 H new ATOM 0 HB2 GLU A 47 1.926 9.517 -3.792 1.00 0.53 H new ATOM 0 HB3 GLU A 47 1.947 8.606 -5.289 1.00 0.53 H new ATOM 0 HG2 GLU A 47 -0.161 9.806 -5.992 1.00 0.93 H new ATOM 0 HG3 GLU A 47 -0.053 10.776 -4.537 1.00 0.93 H new ATOM 713 N THR A 48 -0.657 9.596 -2.307 1.00 0.68 N ATOM 714 CA THR A 48 -1.686 10.520 -1.811 1.00 0.68 C ATOM 715 C THR A 48 -1.028 11.891 -1.649 1.00 0.60 C ATOM 716 O THR A 48 0.098 11.962 -1.164 1.00 0.63 O ATOM 717 CB THR A 48 -2.240 9.950 -0.511 1.00 0.80 C ATOM 718 OG1 THR A 48 -2.824 8.722 -0.880 1.00 0.94 O ATOM 719 CG2 THR A 48 -3.298 10.822 0.159 1.00 0.88 C ATOM 0 H THR A 48 0.245 9.713 -1.845 1.00 0.68 H new ATOM 0 HA THR A 48 -2.528 10.637 -2.493 1.00 0.68 H new ATOM 0 HB THR A 48 -1.435 9.870 0.220 1.00 0.80 H new ATOM 0 HG1 THR A 48 -3.205 8.290 -0.087 1.00 0.94 H new ATOM 0 HG21 THR A 48 -3.637 10.342 1.077 1.00 0.88 H new ATOM 0 HG22 THR A 48 -2.870 11.796 0.396 1.00 0.88 H new ATOM 0 HG23 THR A 48 -4.143 10.952 -0.517 1.00 0.88 H new ATOM 727 N PHE A 49 -1.692 12.958 -2.106 1.00 0.60 N ATOM 728 CA PHE A 49 -1.094 14.289 -2.249 1.00 0.63 C ATOM 729 C PHE A 49 -1.915 15.417 -1.615 1.00 0.73 C ATOM 730 O PHE A 49 -3.118 15.303 -1.372 1.00 0.78 O ATOM 731 CB PHE A 49 -0.806 14.590 -3.735 1.00 0.65 C ATOM 732 CG PHE A 49 -1.995 14.717 -4.686 1.00 0.69 C ATOM 733 CD1 PHE A 49 -2.787 15.881 -4.642 1.00 1.93 C ATOM 734 CD2 PHE A 49 -2.270 13.744 -5.673 1.00 1.72 C ATOM 735 CE1 PHE A 49 -3.833 16.075 -5.560 1.00 2.15 C ATOM 736 CE2 PHE A 49 -3.311 13.946 -6.600 1.00 1.67 C ATOM 737 CZ PHE A 49 -4.082 15.121 -6.555 1.00 1.09 C ATOM 0 H PHE A 49 -2.671 12.921 -2.390 1.00 0.60 H new ATOM 0 HA PHE A 49 -0.158 14.260 -1.691 1.00 0.63 H new ATOM 0 HB2 PHE A 49 -0.239 15.520 -3.783 1.00 0.65 H new ATOM 0 HB3 PHE A 49 -0.157 13.801 -4.116 1.00 0.65 H new ATOM 0 HD1 PHE A 49 -2.588 16.634 -3.893 1.00 1.93 H new ATOM 0 HD2 PHE A 49 -1.679 12.841 -5.717 1.00 1.72 H new ATOM 0 HE1 PHE A 49 -4.446 16.962 -5.498 1.00 2.15 H new ATOM 0 HE2 PHE A 49 -3.518 13.195 -7.348 1.00 1.67 H new ATOM 0 HZ PHE A 49 -4.862 15.287 -7.284 1.00 1.09 H new ATOM 747 N MET A 50 -1.248 16.559 -1.433 1.00 0.86 N ATOM 748 CA MET A 50 -1.851 17.851 -1.091 1.00 0.99 C ATOM 749 C MET A 50 -1.847 18.807 -2.293 1.00 0.93 C ATOM 750 O MET A 50 -0.989 18.708 -3.167 1.00 0.82 O ATOM 751 CB MET A 50 -1.119 18.483 0.104 1.00 1.22 C ATOM 752 CG MET A 50 -2.170 19.026 1.066 1.00 1.77 C ATOM 753 SD MET A 50 -1.576 20.233 2.274 1.00 2.14 S ATOM 754 CE MET A 50 -3.088 20.376 3.259 1.00 3.76 C ATOM 0 H MET A 50 -0.233 16.612 -1.523 1.00 0.86 H new ATOM 0 HA MET A 50 -2.890 17.673 -0.813 1.00 0.99 H new ATOM 0 HB2 MET A 50 -0.493 17.743 0.602 1.00 1.22 H new ATOM 0 HB3 MET A 50 -0.460 19.284 -0.233 1.00 1.22 H new ATOM 0 HG2 MET A 50 -2.968 19.486 0.482 1.00 1.77 H new ATOM 0 HG3 MET A 50 -2.611 18.187 1.604 1.00 1.77 H new ATOM 0 HE1 MET A 50 -2.928 21.086 4.070 1.00 3.76 H new ATOM 0 HE2 MET A 50 -3.903 20.726 2.626 1.00 3.76 H new ATOM 0 HE3 MET A 50 -3.345 19.402 3.675 1.00 3.76 H new ATOM 764 N ARG A 51 -2.827 19.710 -2.367 1.00 1.12 N ATOM 765 CA ARG A 51 -3.103 20.528 -3.554 1.00 1.01 C ATOM 766 C ARG A 51 -3.852 21.815 -3.180 1.00 1.15 C ATOM 767 O ARG A 51 -4.542 21.875 -2.160 1.00 1.46 O ATOM 768 CB ARG A 51 -3.876 19.667 -4.581 1.00 1.10 C ATOM 769 CG ARG A 51 -3.271 19.646 -5.999 1.00 1.16 C ATOM 770 CD ARG A 51 -3.800 20.797 -6.850 1.00 1.96 C ATOM 771 NE ARG A 51 -3.312 20.739 -8.234 1.00 2.59 N ATOM 772 CZ ARG A 51 -3.532 21.671 -9.157 1.00 3.41 C ATOM 773 NH1 ARG A 51 -4.209 22.773 -8.896 1.00 3.93 N ATOM 774 NH2 ARG A 51 -3.059 21.499 -10.375 1.00 4.35 N ATOM 0 H ARG A 51 -3.463 19.898 -1.592 1.00 1.12 H new ATOM 0 HA ARG A 51 -2.167 20.851 -4.009 1.00 1.01 H new ATOM 0 HB2 ARG A 51 -3.928 18.644 -4.209 1.00 1.10 H new ATOM 0 HB3 ARG A 51 -4.900 20.035 -4.644 1.00 1.10 H new ATOM 0 HG2 ARG A 51 -2.185 19.710 -5.933 1.00 1.16 H new ATOM 0 HG3 ARG A 51 -3.506 18.697 -6.482 1.00 1.16 H new ATOM 0 HD2 ARG A 51 -4.890 20.774 -6.850 1.00 1.96 H new ATOM 0 HD3 ARG A 51 -3.501 21.744 -6.401 1.00 1.96 H new ATOM 0 HE ARG A 51 -2.764 19.924 -8.508 1.00 2.59 H new ATOM 0 HH11 ARG A 51 -4.583 22.932 -7.961 1.00 3.93 H new ATOM 0 HH12 ARG A 51 -4.358 23.466 -9.630 1.00 3.93 H new ATOM 0 HH21 ARG A 51 -2.530 20.657 -10.602 1.00 4.35 H new ATOM 0 HH22 ARG A 51 -3.222 22.208 -11.090 1.00 4.35 H new ATOM 788 N GLU A 52 -3.768 22.832 -4.030 1.00 1.04 N ATOM 789 CA GLU A 52 -4.584 24.021 -4.018 1.00 1.14 C ATOM 790 C GLU A 52 -5.509 23.984 -5.234 1.00 1.15 C ATOM 791 O GLU A 52 -5.101 23.539 -6.312 1.00 1.15 O ATOM 792 CB GLU A 52 -3.617 25.194 -4.171 1.00 1.22 C ATOM 793 CG GLU A 52 -4.306 26.547 -4.112 1.00 1.31 C ATOM 794 CD GLU A 52 -4.427 27.022 -2.679 1.00 1.48 C ATOM 795 OE1 GLU A 52 -4.931 26.273 -1.821 1.00 1.95 O ATOM 796 OE2 GLU A 52 -4.002 28.156 -2.392 1.00 2.72 O ATOM 0 H GLU A 52 -3.085 22.840 -4.788 1.00 1.04 H new ATOM 0 HA GLU A 52 -5.180 24.102 -3.109 1.00 1.14 H new ATOM 0 HB2 GLU A 52 -2.865 25.142 -3.384 1.00 1.22 H new ATOM 0 HB3 GLU A 52 -3.091 25.102 -5.121 1.00 1.22 H new ATOM 0 HG2 GLU A 52 -3.741 27.274 -4.695 1.00 1.31 H new ATOM 0 HG3 GLU A 52 -5.296 26.477 -4.562 1.00 1.31 H new ATOM 803 N VAL A 53 -6.709 24.526 -5.093 1.00 1.26 N ATOM 804 CA VAL A 53 -7.559 24.930 -6.218 1.00 1.37 C ATOM 805 C VAL A 53 -8.398 26.120 -5.763 1.00 1.52 C ATOM 806 O VAL A 53 -8.960 26.081 -4.672 1.00 1.78 O ATOM 807 CB VAL A 53 -8.396 23.742 -6.751 1.00 1.38 C ATOM 808 CG1 VAL A 53 -9.149 22.979 -5.648 1.00 2.97 C ATOM 809 CG2 VAL A 53 -9.350 24.183 -7.870 1.00 2.54 C ATOM 0 H VAL A 53 -7.132 24.703 -4.182 1.00 1.26 H new ATOM 0 HA VAL A 53 -6.955 25.241 -7.070 1.00 1.37 H new ATOM 0 HB VAL A 53 -7.677 23.038 -7.170 1.00 1.38 H new ATOM 0 HG11 VAL A 53 -9.714 22.160 -6.093 1.00 2.97 H new ATOM 0 HG12 VAL A 53 -8.434 22.578 -4.930 1.00 2.97 H new ATOM 0 HG13 VAL A 53 -9.833 23.657 -5.138 1.00 2.97 H new ATOM 0 HG21 VAL A 53 -9.922 23.324 -8.220 1.00 2.54 H new ATOM 0 HG22 VAL A 53 -10.033 24.942 -7.488 1.00 2.54 H new ATOM 0 HG23 VAL A 53 -8.774 24.597 -8.697 1.00 2.54 H new ATOM 819 N GLU A 54 -8.405 27.202 -6.551 1.00 1.66 N ATOM 820 CA GLU A 54 -9.173 28.428 -6.267 1.00 1.81 C ATOM 821 C GLU A 54 -8.726 29.110 -4.948 1.00 1.82 C ATOM 822 O GLU A 54 -9.542 29.641 -4.199 1.00 2.02 O ATOM 823 CB GLU A 54 -10.673 28.085 -6.272 1.00 1.83 C ATOM 824 CG GLU A 54 -11.607 29.276 -6.549 1.00 3.07 C ATOM 825 CD GLU A 54 -12.990 29.007 -5.962 1.00 3.35 C ATOM 826 OE1 GLU A 54 -13.519 27.885 -6.147 1.00 2.92 O ATOM 827 OE2 GLU A 54 -13.474 29.820 -5.145 1.00 4.53 O ATOM 0 H GLU A 54 -7.870 27.255 -7.418 1.00 1.66 H new ATOM 0 HA GLU A 54 -8.975 29.162 -7.048 1.00 1.81 H new ATOM 0 HB2 GLU A 54 -10.853 27.317 -7.025 1.00 1.83 H new ATOM 0 HB3 GLU A 54 -10.936 27.652 -5.307 1.00 1.83 H new ATOM 0 HG2 GLU A 54 -11.189 30.184 -6.114 1.00 3.07 H new ATOM 0 HG3 GLU A 54 -11.686 29.444 -7.623 1.00 3.07 H new ATOM 834 N GLY A 55 -7.433 29.022 -4.597 1.00 1.74 N ATOM 835 CA GLY A 55 -6.895 29.568 -3.336 1.00 1.80 C ATOM 836 C GLY A 55 -7.252 28.739 -2.093 1.00 1.80 C ATOM 837 O GLY A 55 -6.997 29.168 -0.964 1.00 2.02 O ATOM 0 H GLY A 55 -6.728 28.570 -5.179 1.00 1.74 H new ATOM 0 HA2 GLY A 55 -5.810 29.636 -3.415 1.00 1.80 H new ATOM 0 HA3 GLY A 55 -7.269 30.583 -3.203 1.00 1.80 H new ATOM 841 N LYS A 56 -7.836 27.551 -2.283 1.00 1.64 N ATOM 842 CA LYS A 56 -8.393 26.690 -1.254 1.00 1.65 C ATOM 843 C LYS A 56 -7.682 25.333 -1.294 1.00 1.46 C ATOM 844 O LYS A 56 -7.534 24.678 -2.334 1.00 1.37 O ATOM 845 CB LYS A 56 -9.917 26.550 -1.433 1.00 1.78 C ATOM 846 CG LYS A 56 -10.660 27.877 -1.185 1.00 2.30 C ATOM 847 CD LYS A 56 -12.161 27.820 -1.507 1.00 2.43 C ATOM 848 CE LYS A 56 -12.373 27.540 -2.999 1.00 2.38 C ATOM 849 NZ LYS A 56 -13.766 27.760 -3.447 1.00 2.77 N ATOM 0 H LYS A 56 -7.934 27.149 -3.215 1.00 1.64 H new ATOM 0 HA LYS A 56 -8.229 27.133 -0.272 1.00 1.65 H new ATOM 0 HB2 LYS A 56 -10.131 26.200 -2.443 1.00 1.78 H new ATOM 0 HB3 LYS A 56 -10.293 25.792 -0.746 1.00 1.78 H new ATOM 0 HG2 LYS A 56 -10.533 28.163 -0.141 1.00 2.30 H new ATOM 0 HG3 LYS A 56 -10.198 28.659 -1.788 1.00 2.30 H new ATOM 0 HD2 LYS A 56 -12.638 27.041 -0.912 1.00 2.43 H new ATOM 0 HD3 LYS A 56 -12.634 28.764 -1.236 1.00 2.43 H new ATOM 0 HE2 LYS A 56 -11.708 28.179 -3.579 1.00 2.38 H new ATOM 0 HE3 LYS A 56 -12.090 26.509 -3.211 1.00 2.38 H new ATOM 0 HZ1 LYS A 56 -13.960 27.170 -4.281 1.00 2.77 H new ATOM 0 HZ2 LYS A 56 -14.421 27.503 -2.681 1.00 2.77 H new ATOM 0 HZ3 LYS A 56 -13.897 28.762 -3.694 1.00 2.77 H new ATOM 863 N LYS A 57 -7.241 24.936 -0.109 1.00 1.46 N ATOM 864 CA LYS A 57 -6.478 23.735 0.182 1.00 1.41 C ATOM 865 C LYS A 57 -7.371 22.502 -0.010 1.00 1.19 C ATOM 866 O LYS A 57 -8.504 22.473 0.461 1.00 1.12 O ATOM 867 CB LYS A 57 -5.919 23.786 1.625 1.00 1.55 C ATOM 868 CG LYS A 57 -5.573 25.160 2.239 1.00 2.02 C ATOM 869 CD LYS A 57 -4.606 26.037 1.424 1.00 2.65 C ATOM 870 CE LYS A 57 -5.218 27.433 1.223 1.00 3.40 C ATOM 871 NZ LYS A 57 -4.494 28.231 0.213 1.00 4.37 N ATOM 0 H LYS A 57 -7.421 25.485 0.732 1.00 1.46 H new ATOM 0 HA LYS A 57 -5.634 23.671 -0.504 1.00 1.41 H new ATOM 0 HB2 LYS A 57 -6.647 23.306 2.279 1.00 1.55 H new ATOM 0 HB3 LYS A 57 -5.016 23.176 1.651 1.00 1.55 H new ATOM 0 HG2 LYS A 57 -6.500 25.715 2.385 1.00 2.02 H new ATOM 0 HG3 LYS A 57 -5.140 24.996 3.226 1.00 2.02 H new ATOM 0 HD2 LYS A 57 -3.650 26.119 1.942 1.00 2.65 H new ATOM 0 HD3 LYS A 57 -4.406 25.574 0.458 1.00 2.65 H new ATOM 0 HE2 LYS A 57 -6.260 27.329 0.920 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -5.215 27.967 2.173 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -5.178 28.745 -0.378 1.00 4.37 H new ATOM 0 HZ2 LYS A 57 -3.869 28.911 0.691 1.00 4.37 H new ATOM 0 HZ3 LYS A 57 -3.925 27.599 -0.386 1.00 4.37 H new ATOM 885 N VAL A 58 -6.840 21.488 -0.673 1.00 1.28 N ATOM 886 CA VAL A 58 -7.497 20.208 -0.957 1.00 1.19 C ATOM 887 C VAL A 58 -6.457 19.074 -0.948 1.00 1.15 C ATOM 888 O VAL A 58 -5.254 19.326 -0.880 1.00 1.38 O ATOM 889 CB VAL A 58 -8.324 20.309 -2.269 1.00 1.25 C ATOM 890 CG1 VAL A 58 -7.453 20.242 -3.535 1.00 2.62 C ATOM 891 CG2 VAL A 58 -9.447 19.265 -2.347 1.00 2.08 C ATOM 0 H VAL A 58 -5.893 21.530 -1.049 1.00 1.28 H new ATOM 0 HA VAL A 58 -8.215 19.964 -0.174 1.00 1.19 H new ATOM 0 HB VAL A 58 -8.784 21.297 -2.232 1.00 1.25 H new ATOM 0 HG11 VAL A 58 -8.088 20.318 -4.418 1.00 2.62 H new ATOM 0 HG12 VAL A 58 -6.739 21.066 -3.530 1.00 2.62 H new ATOM 0 HG13 VAL A 58 -6.914 19.295 -3.556 1.00 2.62 H new ATOM 0 HG21 VAL A 58 -9.990 19.384 -3.285 1.00 2.08 H new ATOM 0 HG22 VAL A 58 -9.017 18.264 -2.301 1.00 2.08 H new ATOM 0 HG23 VAL A 58 -10.132 19.404 -1.511 1.00 2.08 H new ATOM 901 N MET A 59 -6.914 17.828 -1.002 1.00 0.94 N ATOM 902 CA MET A 59 -6.090 16.613 -1.069 1.00 0.88 C ATOM 903 C MET A 59 -6.591 15.679 -2.178 1.00 0.87 C ATOM 904 O MET A 59 -7.716 15.818 -2.652 1.00 1.03 O ATOM 905 CB MET A 59 -6.074 15.916 0.301 1.00 1.02 C ATOM 906 CG MET A 59 -5.162 16.664 1.276 1.00 1.12 C ATOM 907 SD MET A 59 -5.362 16.177 3.007 1.00 2.01 S ATOM 908 CE MET A 59 -6.541 17.452 3.525 1.00 2.57 C ATOM 0 H MET A 59 -7.913 17.621 -1.001 1.00 0.94 H new ATOM 0 HA MET A 59 -5.065 16.888 -1.319 1.00 0.88 H new ATOM 0 HB2 MET A 59 -7.086 15.870 0.704 1.00 1.02 H new ATOM 0 HB3 MET A 59 -5.729 14.888 0.188 1.00 1.02 H new ATOM 0 HG2 MET A 59 -4.125 16.501 0.983 1.00 1.12 H new ATOM 0 HG3 MET A 59 -5.354 17.733 1.187 1.00 1.12 H new ATOM 0 HE1 MET A 59 -6.787 17.314 4.578 1.00 2.57 H new ATOM 0 HE2 MET A 59 -6.097 18.437 3.382 1.00 2.57 H new ATOM 0 HE3 MET A 59 -7.449 17.373 2.927 1.00 2.57 H new ATOM 918 N GLY A 60 -5.721 14.777 -2.632 1.00 0.87 N ATOM 919 CA GLY A 60 -5.951 13.892 -3.776 1.00 0.89 C ATOM 920 C GLY A 60 -5.098 12.627 -3.762 1.00 0.77 C ATOM 921 O GLY A 60 -4.405 12.324 -2.794 1.00 0.79 O ATOM 0 H GLY A 60 -4.807 14.637 -2.201 1.00 0.87 H new ATOM 0 HA2 GLY A 60 -7.003 13.608 -3.797 1.00 0.89 H new ATOM 0 HA3 GLY A 60 -5.751 14.443 -4.695 1.00 0.89 H new ATOM 925 N MET A 61 -5.195 11.843 -4.834 1.00 0.71 N ATOM 926 CA MET A 61 -4.563 10.534 -5.007 1.00 0.63 C ATOM 927 C MET A 61 -4.409 10.261 -6.507 1.00 0.59 C ATOM 928 O MET A 61 -5.261 10.673 -7.292 1.00 0.69 O ATOM 929 CB MET A 61 -5.472 9.517 -4.308 1.00 0.68 C ATOM 930 CG MET A 61 -5.228 8.038 -4.619 1.00 0.62 C ATOM 931 SD MET A 61 -6.606 6.918 -4.182 1.00 0.58 S ATOM 932 CE MET A 61 -7.149 7.629 -2.609 1.00 0.79 C ATOM 0 H MET A 61 -5.745 12.117 -5.648 1.00 0.71 H new ATOM 0 HA MET A 61 -3.566 10.477 -4.570 1.00 0.63 H new ATOM 0 HB2 MET A 61 -5.373 9.658 -3.232 1.00 0.68 H new ATOM 0 HB3 MET A 61 -6.505 9.752 -4.566 1.00 0.68 H new ATOM 0 HG2 MET A 61 -5.021 7.936 -5.684 1.00 0.62 H new ATOM 0 HG3 MET A 61 -4.333 7.713 -4.087 1.00 0.62 H new ATOM 0 HE1 MET A 61 -7.733 6.891 -2.059 1.00 0.79 H new ATOM 0 HE2 MET A 61 -6.278 7.915 -2.019 1.00 0.79 H new ATOM 0 HE3 MET A 61 -7.763 8.509 -2.800 1.00 0.79 H new ATOM 942 N ARG A 62 -3.334 9.576 -6.909 1.00 0.51 N ATOM 943 CA ARG A 62 -3.018 9.264 -8.316 1.00 0.52 C ATOM 944 C ARG A 62 -1.989 8.127 -8.426 1.00 0.52 C ATOM 945 O ARG A 62 -1.243 7.920 -7.461 1.00 0.61 O ATOM 946 CB ARG A 62 -2.636 10.545 -9.106 1.00 0.84 C ATOM 947 CG ARG A 62 -1.518 11.439 -8.563 1.00 1.45 C ATOM 948 CD ARG A 62 -0.067 10.985 -8.673 1.00 2.81 C ATOM 949 NE ARG A 62 0.515 11.023 -10.023 1.00 3.13 N ATOM 950 CZ ARG A 62 1.784 11.353 -10.263 1.00 4.22 C ATOM 951 NH1 ARG A 62 2.632 11.668 -9.303 1.00 5.14 N ATOM 952 NH2 ARG A 62 2.225 11.390 -11.503 1.00 5.32 N ATOM 0 H ARG A 62 -2.641 9.213 -6.255 1.00 0.51 H new ATOM 0 HA ARG A 62 -3.919 8.882 -8.796 1.00 0.52 H new ATOM 0 HB2 ARG A 62 -2.355 10.240 -10.114 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -3.533 11.157 -9.197 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -1.597 12.402 -9.068 1.00 1.45 H new ATOM 0 HG3 ARG A 62 -1.725 11.614 -7.507 1.00 1.45 H new ATOM 0 HD2 ARG A 62 0.540 11.610 -8.018 1.00 2.81 H new ATOM 0 HD3 ARG A 62 0.004 9.965 -8.296 1.00 2.81 H new ATOM 0 HE ARG A 62 -0.082 10.785 -10.815 1.00 3.13 H new ATOM 0 HH11 ARG A 62 2.325 11.665 -8.330 1.00 5.14 H new ATOM 0 HH12 ARG A 62 3.595 11.914 -9.533 1.00 5.14 H new ATOM 0 HH21 ARG A 62 1.596 11.167 -12.275 1.00 5.32 H new ATOM 0 HH22 ARG A 62 3.195 11.642 -11.692 1.00 5.32 H new ATOM 966 N PRO A 63 -1.964 7.361 -9.535 1.00 0.55 N ATOM 967 CA PRO A 63 -1.078 6.215 -9.664 1.00 0.56 C ATOM 968 C PRO A 63 0.370 6.610 -9.959 1.00 0.57 C ATOM 969 O PRO A 63 0.633 7.696 -10.474 1.00 0.59 O ATOM 970 CB PRO A 63 -1.680 5.338 -10.760 1.00 0.57 C ATOM 971 CG PRO A 63 -2.374 6.354 -11.661 1.00 0.59 C ATOM 972 CD PRO A 63 -2.893 7.390 -10.660 1.00 0.56 C ATOM 0 HA PRO A 63 -1.013 5.673 -8.721 1.00 0.56 H new ATOM 0 HB2 PRO A 63 -0.914 4.778 -11.297 1.00 0.57 H new ATOM 0 HB3 PRO A 63 -2.383 4.610 -10.355 1.00 0.57 H new ATOM 0 HG2 PRO A 63 -1.684 6.796 -12.380 1.00 0.59 H new ATOM 0 HG3 PRO A 63 -3.184 5.902 -12.233 1.00 0.59 H new ATOM 0 HD2 PRO A 63 -2.931 8.382 -11.109 1.00 0.56 H new ATOM 0 HD3 PRO A 63 -3.905 7.148 -10.337 1.00 0.56 H new ATOM 980 N VAL A 64 1.284 5.690 -9.629 1.00 0.58 N ATOM 981 CA VAL A 64 2.747 5.803 -9.803 1.00 0.58 C ATOM 982 C VAL A 64 3.340 4.442 -10.247 1.00 0.56 C ATOM 983 O VAL A 64 2.699 3.415 -10.019 1.00 0.57 O ATOM 984 CB VAL A 64 3.440 6.325 -8.514 1.00 0.61 C ATOM 985 CG1 VAL A 64 2.997 7.755 -8.172 1.00 0.61 C ATOM 986 CG2 VAL A 64 3.226 5.412 -7.296 1.00 0.73 C ATOM 0 H VAL A 64 1.015 4.799 -9.212 1.00 0.58 H new ATOM 0 HA VAL A 64 2.938 6.537 -10.586 1.00 0.58 H new ATOM 0 HB VAL A 64 4.506 6.323 -8.740 1.00 0.61 H new ATOM 0 HG11 VAL A 64 3.503 8.085 -7.265 1.00 0.61 H new ATOM 0 HG12 VAL A 64 3.255 8.422 -8.995 1.00 0.61 H new ATOM 0 HG13 VAL A 64 1.919 7.774 -8.014 1.00 0.61 H new ATOM 0 HG21 VAL A 64 3.736 5.835 -6.430 1.00 0.73 H new ATOM 0 HG22 VAL A 64 2.160 5.331 -7.085 1.00 0.73 H new ATOM 0 HG23 VAL A 64 3.630 4.422 -7.508 1.00 0.73 H new ATOM 996 N PRO A 65 4.522 4.403 -10.905 1.00 0.57 N ATOM 997 CA PRO A 65 5.052 3.199 -11.561 1.00 0.59 C ATOM 998 C PRO A 65 5.792 2.251 -10.613 1.00 0.59 C ATOM 999 O PRO A 65 5.926 1.072 -10.926 1.00 0.61 O ATOM 1000 CB PRO A 65 5.974 3.729 -12.661 1.00 0.68 C ATOM 1001 CG PRO A 65 6.534 5.014 -12.059 1.00 0.71 C ATOM 1002 CD PRO A 65 5.374 5.545 -11.219 1.00 0.64 C ATOM 0 HA PRO A 65 4.239 2.586 -11.949 1.00 0.59 H new ATOM 0 HB2 PRO A 65 6.765 3.018 -12.900 1.00 0.68 H new ATOM 0 HB3 PRO A 65 5.429 3.922 -13.585 1.00 0.68 H new ATOM 0 HG2 PRO A 65 7.417 4.821 -11.449 1.00 0.71 H new ATOM 0 HG3 PRO A 65 6.829 5.724 -12.831 1.00 0.71 H new ATOM 0 HD2 PRO A 65 5.741 6.015 -10.307 1.00 0.64 H new ATOM 0 HD3 PRO A 65 4.816 6.304 -11.767 1.00 0.64 H new ATOM 1010 N PHE A 66 6.270 2.760 -9.476 1.00 0.57 N ATOM 1011 CA PHE A 66 7.002 2.034 -8.431 1.00 0.57 C ATOM 1012 C PHE A 66 7.312 2.965 -7.251 1.00 0.57 C ATOM 1013 O PHE A 66 7.285 4.191 -7.382 1.00 0.60 O ATOM 1014 CB PHE A 66 8.307 1.404 -8.963 1.00 0.58 C ATOM 1015 CG PHE A 66 9.312 2.422 -9.422 1.00 0.57 C ATOM 1016 CD1 PHE A 66 9.266 2.868 -10.748 1.00 2.03 C ATOM 1017 CD2 PHE A 66 10.203 2.993 -8.497 1.00 1.57 C ATOM 1018 CE1 PHE A 66 10.112 3.919 -11.152 1.00 2.04 C ATOM 1019 CE2 PHE A 66 10.993 4.088 -8.879 1.00 1.57 C ATOM 1020 CZ PHE A 66 10.960 4.540 -10.212 1.00 0.58 C ATOM 0 H PHE A 66 6.151 3.746 -9.245 1.00 0.57 H new ATOM 0 HA PHE A 66 6.359 1.221 -8.094 1.00 0.57 H new ATOM 0 HB2 PHE A 66 8.752 0.791 -8.180 1.00 0.58 H new ATOM 0 HB3 PHE A 66 8.069 0.738 -9.793 1.00 0.58 H new ATOM 0 HD1 PHE A 66 8.589 2.411 -11.454 1.00 2.03 H new ATOM 0 HD2 PHE A 66 10.279 2.591 -7.497 1.00 1.57 H new ATOM 0 HE1 PHE A 66 10.111 4.249 -12.180 1.00 2.04 H new ATOM 0 HE2 PHE A 66 11.623 4.582 -8.154 1.00 1.57 H new ATOM 0 HZ PHE A 66 11.587 5.366 -10.516 1.00 0.58 H new ATOM 1030 N LEU A 67 7.682 2.362 -6.120 1.00 0.57 N ATOM 1031 CA LEU A 67 8.292 3.049 -4.978 1.00 0.59 C ATOM 1032 C LEU A 67 9.757 2.638 -4.844 1.00 0.58 C ATOM 1033 O LEU A 67 10.140 1.538 -5.245 1.00 0.57 O ATOM 1034 CB LEU A 67 7.545 2.724 -3.676 1.00 0.63 C ATOM 1035 CG LEU A 67 6.014 2.870 -3.718 1.00 0.71 C ATOM 1036 CD1 LEU A 67 5.490 2.574 -2.313 1.00 0.83 C ATOM 1037 CD2 LEU A 67 5.542 4.251 -4.172 1.00 0.73 C ATOM 0 H LEU A 67 7.564 1.360 -5.968 1.00 0.57 H new ATOM 0 HA LEU A 67 8.228 4.123 -5.155 1.00 0.59 H new ATOM 0 HB2 LEU A 67 7.784 1.700 -3.390 1.00 0.63 H new ATOM 0 HB3 LEU A 67 7.930 3.373 -2.889 1.00 0.63 H new ATOM 0 HG LEU A 67 5.623 2.170 -4.457 1.00 0.71 H new ATOM 0 HD11 LEU A 67 4.404 2.668 -2.302 1.00 0.83 H new ATOM 0 HD12 LEU A 67 5.770 1.560 -2.027 1.00 0.83 H new ATOM 0 HD13 LEU A 67 5.922 3.283 -1.607 1.00 0.83 H new ATOM 0 HD21 LEU A 67 4.452 4.280 -4.177 1.00 0.73 H new ATOM 0 HD22 LEU A 67 5.922 5.009 -3.487 1.00 0.73 H new ATOM 0 HD23 LEU A 67 5.915 4.451 -5.177 1.00 0.73 H new ATOM 1049 N GLU A 68 10.571 3.515 -4.261 1.00 0.62 N ATOM 1050 CA GLU A 68 11.983 3.258 -3.948 1.00 0.63 C ATOM 1051 C GLU A 68 12.250 3.433 -2.454 1.00 0.69 C ATOM 1052 O GLU A 68 11.657 4.302 -1.819 1.00 0.79 O ATOM 1053 CB GLU A 68 12.911 4.176 -4.765 1.00 0.79 C ATOM 1054 CG GLU A 68 14.388 4.040 -4.339 1.00 0.77 C ATOM 1055 CD GLU A 68 15.377 4.519 -5.400 1.00 1.41 C ATOM 1056 OE1 GLU A 68 14.999 5.331 -6.267 1.00 2.66 O ATOM 1057 OE2 GLU A 68 16.471 3.919 -5.471 1.00 2.06 O ATOM 0 H GLU A 68 10.264 4.448 -3.985 1.00 0.62 H new ATOM 0 HA GLU A 68 12.197 2.225 -4.221 1.00 0.63 H new ATOM 0 HB2 GLU A 68 12.816 3.936 -5.824 1.00 0.79 H new ATOM 0 HB3 GLU A 68 12.594 5.212 -4.644 1.00 0.79 H new ATOM 0 HG2 GLU A 68 14.547 4.609 -3.423 1.00 0.77 H new ATOM 0 HG3 GLU A 68 14.596 2.996 -4.106 1.00 0.77 H new ATOM 1064 N VAL A 69 13.178 2.628 -1.927 1.00 0.69 N ATOM 1065 CA VAL A 69 13.664 2.700 -0.547 1.00 0.75 C ATOM 1066 C VAL A 69 15.182 2.464 -0.518 1.00 0.81 C ATOM 1067 O VAL A 69 15.640 1.494 -1.123 1.00 0.84 O ATOM 1068 CB VAL A 69 12.947 1.649 0.335 1.00 0.71 C ATOM 1069 CG1 VAL A 69 13.440 1.684 1.791 1.00 0.76 C ATOM 1070 CG2 VAL A 69 11.420 1.819 0.308 1.00 0.78 C ATOM 0 H VAL A 69 13.625 1.886 -2.466 1.00 0.69 H new ATOM 0 HA VAL A 69 13.447 3.691 -0.150 1.00 0.75 H new ATOM 0 HB VAL A 69 13.198 0.679 -0.094 1.00 0.71 H new ATOM 0 HG11 VAL A 69 12.910 0.930 2.373 1.00 0.76 H new ATOM 0 HG12 VAL A 69 14.510 1.477 1.818 1.00 0.76 H new ATOM 0 HG13 VAL A 69 13.250 2.670 2.216 1.00 0.76 H new ATOM 0 HG21 VAL A 69 10.958 1.061 0.940 1.00 0.78 H new ATOM 0 HG22 VAL A 69 11.158 2.810 0.679 1.00 0.78 H new ATOM 0 HG23 VAL A 69 11.059 1.707 -0.715 1.00 0.78 H new ATOM 1080 N PRO A 70 15.983 3.303 0.170 1.00 0.87 N ATOM 1081 CA PRO A 70 17.436 3.140 0.245 1.00 0.95 C ATOM 1082 C PRO A 70 17.841 1.908 1.077 1.00 0.95 C ATOM 1083 O PRO A 70 17.005 1.362 1.806 1.00 0.94 O ATOM 1084 CB PRO A 70 17.953 4.447 0.861 1.00 0.99 C ATOM 1085 CG PRO A 70 16.785 4.931 1.712 1.00 0.94 C ATOM 1086 CD PRO A 70 15.570 4.496 0.897 1.00 0.90 C ATOM 0 HA PRO A 70 17.870 2.959 -0.738 1.00 0.95 H new ATOM 0 HB2 PRO A 70 18.846 4.280 1.464 1.00 0.99 H new ATOM 0 HB3 PRO A 70 18.218 5.174 0.094 1.00 0.99 H new ATOM 0 HG2 PRO A 70 16.791 4.477 2.703 1.00 0.94 H new ATOM 0 HG3 PRO A 70 16.810 6.011 1.856 1.00 0.94 H new ATOM 0 HD2 PRO A 70 14.720 4.283 1.546 1.00 0.90 H new ATOM 0 HD3 PRO A 70 15.258 5.283 0.211 1.00 0.90 H new ATOM 1094 N PRO A 71 19.114 1.465 1.008 1.00 1.03 N ATOM 1095 CA PRO A 71 19.646 0.425 1.883 1.00 1.06 C ATOM 1096 C PRO A 71 19.523 0.822 3.352 1.00 1.08 C ATOM 1097 O PRO A 71 19.694 1.991 3.695 1.00 1.16 O ATOM 1098 CB PRO A 71 21.092 0.211 1.458 1.00 1.19 C ATOM 1099 CG PRO A 71 21.478 1.472 0.697 1.00 1.25 C ATOM 1100 CD PRO A 71 20.156 1.964 0.121 1.00 1.14 C ATOM 0 HA PRO A 71 19.083 -0.503 1.790 1.00 1.06 H new ATOM 0 HB2 PRO A 71 21.738 0.060 2.323 1.00 1.19 H new ATOM 0 HB3 PRO A 71 21.190 -0.674 0.829 1.00 1.19 H new ATOM 0 HG2 PRO A 71 21.929 2.215 1.355 1.00 1.25 H new ATOM 0 HG3 PRO A 71 22.203 1.260 -0.089 1.00 1.25 H new ATOM 0 HD2 PRO A 71 20.135 3.053 0.070 1.00 1.14 H new ATOM 0 HD3 PRO A 71 20.012 1.594 -0.894 1.00 1.14 H new ATOM 1108 N LYS A 72 19.163 -0.144 4.215 1.00 1.08 N ATOM 1109 CA LYS A 72 18.895 0.062 5.653 1.00 1.19 C ATOM 1110 C LYS A 72 17.664 0.956 5.923 1.00 1.27 C ATOM 1111 O LYS A 72 17.367 1.292 7.066 1.00 1.48 O ATOM 1112 CB LYS A 72 20.157 0.565 6.382 1.00 1.38 C ATOM 1113 CG LYS A 72 21.454 -0.137 5.953 1.00 1.62 C ATOM 1114 CD LYS A 72 21.457 -1.661 6.160 1.00 1.40 C ATOM 1115 CE LYS A 72 22.689 -2.256 5.470 1.00 1.64 C ATOM 1116 NZ LYS A 72 22.727 -3.734 5.553 1.00 1.69 N ATOM 0 H LYS A 72 19.047 -1.115 3.926 1.00 1.08 H new ATOM 0 HA LYS A 72 18.636 -0.912 6.068 1.00 1.19 H new ATOM 0 HB2 LYS A 72 20.262 1.636 6.207 1.00 1.38 H new ATOM 0 HB3 LYS A 72 20.021 0.429 7.455 1.00 1.38 H new ATOM 0 HG2 LYS A 72 21.634 0.073 4.899 1.00 1.62 H new ATOM 0 HG3 LYS A 72 22.286 0.294 6.510 1.00 1.62 H new ATOM 0 HD2 LYS A 72 21.471 -1.896 7.224 1.00 1.40 H new ATOM 0 HD3 LYS A 72 20.547 -2.099 5.749 1.00 1.40 H new ATOM 0 HE2 LYS A 72 22.696 -1.954 4.423 1.00 1.64 H new ATOM 0 HE3 LYS A 72 23.590 -1.846 5.926 1.00 1.64 H new ATOM 0 HZ1 LYS A 72 23.551 -4.090 5.028 1.00 1.69 H new ATOM 0 HZ2 LYS A 72 22.799 -4.024 6.549 1.00 1.69 H new ATOM 0 HZ3 LYS A 72 21.857 -4.127 5.140 1.00 1.69 H new ATOM 1130 N GLY A 73 16.962 1.354 4.856 1.00 1.25 N ATOM 1131 CA GLY A 73 15.809 2.263 4.843 1.00 1.43 C ATOM 1132 C GLY A 73 14.466 1.599 5.161 1.00 1.24 C ATOM 1133 O GLY A 73 14.367 0.386 5.331 1.00 0.92 O ATOM 0 H GLY A 73 17.199 1.029 3.918 1.00 1.25 H new ATOM 0 HA2 GLY A 73 15.984 3.061 5.565 1.00 1.43 H new ATOM 0 HA3 GLY A 73 15.744 2.731 3.861 1.00 1.43 H new ATOM 1137 N ARG A 74 13.406 2.412 5.228 1.00 1.66 N ATOM 1138 CA ARG A 74 12.047 2.012 5.631 1.00 1.39 C ATOM 1139 C ARG A 74 11.123 1.758 4.436 1.00 2.02 C ATOM 1140 O ARG A 74 10.994 2.624 3.582 1.00 3.07 O ATOM 1141 CB ARG A 74 11.459 3.130 6.514 1.00 2.53 C ATOM 1142 CG ARG A 74 11.542 2.815 8.008 1.00 2.18 C ATOM 1143 CD ARG A 74 10.581 1.718 8.385 1.00 1.96 C ATOM 1144 NE ARG A 74 10.687 1.348 9.794 1.00 2.31 N ATOM 1145 CZ ARG A 74 9.754 1.514 10.714 1.00 2.95 C ATOM 1146 NH1 ARG A 74 8.727 2.332 10.568 1.00 3.52 N ATOM 1147 NH2 ARG A 74 9.840 0.798 11.808 1.00 3.70 N ATOM 0 H ARG A 74 13.470 3.403 4.995 1.00 1.66 H new ATOM 0 HA ARG A 74 12.117 1.070 6.176 1.00 1.39 H new ATOM 0 HB2 ARG A 74 11.990 4.061 6.314 1.00 2.53 H new ATOM 0 HB3 ARG A 74 10.417 3.292 6.240 1.00 2.53 H new ATOM 0 HG2 ARG A 74 12.558 2.516 8.264 1.00 2.18 H new ATOM 0 HG3 ARG A 74 11.319 3.712 8.585 1.00 2.18 H new ATOM 0 HD2 ARG A 74 9.562 2.042 8.172 1.00 1.96 H new ATOM 0 HD3 ARG A 74 10.773 0.841 7.766 1.00 1.96 H new ATOM 0 HE ARG A 74 11.563 0.922 10.096 1.00 2.31 H new ATOM 0 HH11 ARG A 74 8.625 2.875 9.711 1.00 3.52 H new ATOM 0 HH12 ARG A 74 8.036 2.420 11.313 1.00 3.52 H new ATOM 0 HH21 ARG A 74 10.610 0.139 11.927 1.00 3.70 H new ATOM 0 HH22 ARG A 74 9.137 0.899 12.540 1.00 3.70 H new ATOM 1161 N VAL A 75 10.432 0.616 4.412 1.00 2.09 N ATOM 1162 CA VAL A 75 9.530 0.178 3.326 1.00 3.37 C ATOM 1163 C VAL A 75 8.079 0.278 3.813 1.00 2.64 C ATOM 1164 O VAL A 75 7.324 -0.691 3.854 1.00 2.63 O ATOM 1165 CB VAL A 75 9.875 -1.249 2.808 1.00 4.76 C ATOM 1166 CG1 VAL A 75 9.145 -1.581 1.492 1.00 6.03 C ATOM 1167 CG2 VAL A 75 11.375 -1.485 2.552 1.00 5.51 C ATOM 0 H VAL A 75 10.482 -0.060 5.174 1.00 2.09 H new ATOM 0 HA VAL A 75 9.666 0.839 2.470 1.00 3.37 H new ATOM 0 HB VAL A 75 9.545 -1.897 3.620 1.00 4.76 H new ATOM 0 HG11 VAL A 75 9.416 -2.586 1.169 1.00 6.03 H new ATOM 0 HG12 VAL A 75 8.068 -1.529 1.650 1.00 6.03 H new ATOM 0 HG13 VAL A 75 9.434 -0.863 0.725 1.00 6.03 H new ATOM 0 HG21 VAL A 75 11.527 -2.503 2.194 1.00 5.51 H new ATOM 0 HG22 VAL A 75 11.732 -0.779 1.802 1.00 5.51 H new ATOM 0 HG23 VAL A 75 11.930 -1.340 3.479 1.00 5.51 H new ATOM 1177 N GLU A 76 7.694 1.485 4.222 1.00 2.25 N ATOM 1178 CA GLU A 76 6.320 1.822 4.604 1.00 1.52 C ATOM 1179 C GLU A 76 5.649 2.571 3.462 1.00 1.50 C ATOM 1180 O GLU A 76 6.160 3.581 2.983 1.00 1.89 O ATOM 1181 CB GLU A 76 6.227 2.621 5.921 1.00 1.52 C ATOM 1182 CG GLU A 76 7.426 3.536 6.188 1.00 2.27 C ATOM 1183 CD GLU A 76 7.288 4.341 7.479 1.00 2.21 C ATOM 1184 OE1 GLU A 76 6.448 5.271 7.532 1.00 2.55 O ATOM 1185 OE2 GLU A 76 8.070 4.052 8.414 1.00 3.16 O ATOM 0 H GLU A 76 8.338 2.272 4.299 1.00 2.25 H new ATOM 0 HA GLU A 76 5.796 0.885 4.793 1.00 1.52 H new ATOM 0 HB2 GLU A 76 5.320 3.226 5.902 1.00 1.52 H new ATOM 0 HB3 GLU A 76 6.127 1.921 6.751 1.00 1.52 H new ATOM 0 HG2 GLU A 76 8.332 2.932 6.238 1.00 2.27 H new ATOM 0 HG3 GLU A 76 7.546 4.222 5.350 1.00 2.27 H new ATOM 1192 N LEU A 77 4.477 2.079 3.064 1.00 1.16 N ATOM 1193 CA LEU A 77 3.607 2.721 2.084 1.00 1.18 C ATOM 1194 C LEU A 77 3.025 4.026 2.631 1.00 1.51 C ATOM 1195 O LEU A 77 2.937 4.996 1.896 1.00 3.10 O ATOM 1196 CB LEU A 77 2.519 1.708 1.667 1.00 0.83 C ATOM 1197 CG LEU A 77 2.783 1.125 0.269 1.00 1.05 C ATOM 1198 CD1 LEU A 77 4.148 0.433 0.119 1.00 1.05 C ATOM 1199 CD2 LEU A 77 1.703 0.106 -0.123 1.00 1.48 C ATOM 0 H LEU A 77 4.099 1.203 3.423 1.00 1.16 H new ATOM 0 HA LEU A 77 4.177 3.004 1.199 1.00 1.18 H new ATOM 0 HB2 LEU A 77 2.478 0.899 2.396 1.00 0.83 H new ATOM 0 HB3 LEU A 77 1.545 2.197 1.678 1.00 0.83 H new ATOM 0 HG LEU A 77 2.768 1.994 -0.389 1.00 1.05 H new ATOM 0 HD11 LEU A 77 4.252 0.051 -0.896 1.00 1.05 H new ATOM 0 HD12 LEU A 77 4.944 1.150 0.320 1.00 1.05 H new ATOM 0 HD13 LEU A 77 4.217 -0.393 0.827 1.00 1.05 H new ATOM 0 HD21 LEU A 77 1.918 -0.288 -1.116 1.00 1.48 H new ATOM 0 HD22 LEU A 77 1.695 -0.712 0.598 1.00 1.48 H new ATOM 0 HD23 LEU A 77 0.728 0.593 -0.129 1.00 1.48 H new ATOM 1211 N LYS A 78 2.686 4.066 3.925 1.00 1.38 N ATOM 1212 CA LYS A 78 2.268 5.255 4.705 1.00 1.41 C ATOM 1213 C LYS A 78 0.724 5.429 4.689 1.00 1.39 C ATOM 1214 O LYS A 78 0.147 5.539 3.607 1.00 1.43 O ATOM 1215 CB LYS A 78 2.947 6.553 4.181 1.00 1.79 C ATOM 1216 CG LYS A 78 3.210 7.661 5.201 1.00 1.44 C ATOM 1217 CD LYS A 78 4.503 7.316 5.956 1.00 2.34 C ATOM 1218 CE LYS A 78 4.857 8.297 7.078 1.00 3.20 C ATOM 1219 NZ LYS A 78 6.154 7.912 7.691 1.00 4.12 N ATOM 0 H LYS A 78 2.694 3.222 4.498 1.00 1.38 H new ATOM 0 HA LYS A 78 2.592 5.086 5.732 1.00 1.41 H new ATOM 0 HB2 LYS A 78 3.899 6.277 3.728 1.00 1.79 H new ATOM 0 HB3 LYS A 78 2.323 6.965 3.387 1.00 1.79 H new ATOM 0 HG2 LYS A 78 3.307 8.624 4.700 1.00 1.44 H new ATOM 0 HG3 LYS A 78 2.374 7.745 5.896 1.00 1.44 H new ATOM 0 HD2 LYS A 78 4.407 6.316 6.380 1.00 2.34 H new ATOM 0 HD3 LYS A 78 5.328 7.283 5.244 1.00 2.34 H new ATOM 0 HE2 LYS A 78 4.918 9.311 6.682 1.00 3.20 H new ATOM 0 HE3 LYS A 78 4.072 8.297 7.835 1.00 3.20 H new ATOM 0 HZ1 LYS A 78 6.255 8.381 8.614 1.00 4.12 H new ATOM 0 HZ2 LYS A 78 6.183 6.881 7.822 1.00 4.12 H new ATOM 0 HZ3 LYS A 78 6.933 8.204 7.067 1.00 4.12 H new ATOM 1233 N PRO A 79 0.031 5.541 5.850 1.00 1.66 N ATOM 1234 CA PRO A 79 -1.440 5.654 5.953 1.00 1.96 C ATOM 1235 C PRO A 79 -2.030 7.004 5.469 1.00 1.83 C ATOM 1236 O PRO A 79 -3.070 7.447 5.962 1.00 2.81 O ATOM 1237 CB PRO A 79 -1.759 5.324 7.418 1.00 2.50 C ATOM 1238 CG PRO A 79 -0.517 5.803 8.161 1.00 2.36 C ATOM 1239 CD PRO A 79 0.601 5.439 7.188 1.00 2.03 C ATOM 0 HA PRO A 79 -1.927 4.960 5.267 1.00 1.96 H new ATOM 0 HB2 PRO A 79 -2.657 5.839 7.760 1.00 2.50 H new ATOM 0 HB3 PRO A 79 -1.928 4.257 7.563 1.00 2.50 H new ATOM 0 HG2 PRO A 79 -0.550 6.874 8.361 1.00 2.36 H new ATOM 0 HG3 PRO A 79 -0.399 5.303 9.122 1.00 2.36 H new ATOM 0 HD2 PRO A 79 1.449 6.114 7.301 1.00 2.03 H new ATOM 0 HD3 PRO A 79 0.968 4.430 7.378 1.00 2.03 H new ATOM 1247 N GLY A 80 -1.360 7.653 4.506 1.00 1.69 N ATOM 1248 CA GLY A 80 -1.649 8.984 3.976 1.00 1.64 C ATOM 1249 C GLY A 80 -0.632 9.519 2.953 1.00 1.31 C ATOM 1250 O GLY A 80 -0.507 10.733 2.858 1.00 1.57 O ATOM 0 H GLY A 80 -0.551 7.231 4.050 1.00 1.69 H new ATOM 0 HA2 GLY A 80 -2.634 8.965 3.509 1.00 1.64 H new ATOM 0 HA3 GLY A 80 -1.705 9.685 4.809 1.00 1.64 H new ATOM 1254 N GLY A 81 0.101 8.663 2.211 1.00 1.19 N ATOM 1255 CA GLY A 81 1.036 9.149 1.170 1.00 0.98 C ATOM 1256 C GLY A 81 1.436 8.215 0.036 1.00 1.19 C ATOM 1257 O GLY A 81 1.630 8.684 -1.077 1.00 2.30 O ATOM 0 H GLY A 81 0.067 7.648 2.309 1.00 1.19 H new ATOM 0 HA2 GLY A 81 0.594 10.039 0.722 1.00 0.98 H new ATOM 0 HA3 GLY A 81 1.950 9.466 1.672 1.00 0.98 H new ATOM 1261 N TYR A 82 1.466 6.909 0.263 1.00 0.79 N ATOM 1262 CA TYR A 82 1.403 5.864 -0.765 1.00 0.67 C ATOM 1263 C TYR A 82 0.577 4.670 -0.296 1.00 0.68 C ATOM 1264 O TYR A 82 0.420 4.405 0.891 1.00 0.75 O ATOM 1265 CB TYR A 82 2.785 5.387 -1.237 1.00 0.86 C ATOM 1266 CG TYR A 82 3.606 6.447 -1.918 1.00 0.80 C ATOM 1267 CD1 TYR A 82 4.466 7.265 -1.165 1.00 1.73 C ATOM 1268 CD2 TYR A 82 3.482 6.633 -3.300 1.00 2.25 C ATOM 1269 CE1 TYR A 82 5.196 8.284 -1.799 1.00 1.82 C ATOM 1270 CE2 TYR A 82 4.230 7.627 -3.943 1.00 2.18 C ATOM 1271 CZ TYR A 82 5.091 8.463 -3.199 1.00 0.80 C ATOM 1272 OH TYR A 82 5.807 9.437 -3.825 1.00 0.90 O ATOM 0 H TYR A 82 1.538 6.527 1.206 1.00 0.79 H new ATOM 0 HA TYR A 82 0.913 6.329 -1.621 1.00 0.67 H new ATOM 0 HB2 TYR A 82 3.340 5.011 -0.377 1.00 0.86 H new ATOM 0 HB3 TYR A 82 2.653 4.550 -1.922 1.00 0.86 H new ATOM 0 HD1 TYR A 82 4.565 7.110 -0.101 1.00 1.73 H new ATOM 0 HD2 TYR A 82 2.809 6.010 -3.870 1.00 2.25 H new ATOM 0 HE1 TYR A 82 5.837 8.931 -1.218 1.00 1.82 H new ATOM 0 HE2 TYR A 82 4.148 7.755 -5.012 1.00 2.18 H new ATOM 0 HH TYR A 82 5.615 9.418 -4.786 1.00 0.90 H new ATOM 1282 N HIS A 83 -0.043 3.968 -1.237 1.00 0.64 N ATOM 1283 CA HIS A 83 -0.796 2.741 -0.955 1.00 0.70 C ATOM 1284 C HIS A 83 -1.053 1.923 -2.221 1.00 0.65 C ATOM 1285 O HIS A 83 -1.149 2.489 -3.310 1.00 0.62 O ATOM 1286 CB HIS A 83 -2.103 3.051 -0.212 1.00 0.77 C ATOM 1287 CG HIS A 83 -2.995 3.998 -0.952 1.00 0.63 C ATOM 1288 ND1 HIS A 83 -2.802 5.354 -1.091 1.00 0.62 N ATOM 1289 CD2 HIS A 83 -4.044 3.641 -1.750 1.00 0.54 C ATOM 1290 CE1 HIS A 83 -3.685 5.804 -1.993 1.00 0.54 C ATOM 1291 NE2 HIS A 83 -4.478 4.801 -2.386 1.00 0.49 N ATOM 0 H HIS A 83 -0.041 4.231 -2.223 1.00 0.64 H new ATOM 0 HA HIS A 83 -0.178 2.126 -0.300 1.00 0.70 H new ATOM 0 HB2 HIS A 83 -2.641 2.120 -0.034 1.00 0.77 H new ATOM 0 HB3 HIS A 83 -1.866 3.474 0.764 1.00 0.77 H new ATOM 0 HD1 HIS A 83 -2.110 5.916 -0.596 1.00 0.62 H new ATOM 0 HD2 HIS A 83 -4.457 2.650 -1.866 1.00 0.54 H new ATOM 0 HE1 HIS A 83 -3.747 6.822 -2.349 1.00 0.54 H new ATOM 1299 N PHE A 84 -1.294 0.622 -2.067 1.00 0.70 N ATOM 1300 CA PHE A 84 -1.935 -0.135 -3.138 1.00 0.66 C ATOM 1301 C PHE A 84 -3.445 0.142 -3.125 1.00 0.56 C ATOM 1302 O PHE A 84 -4.048 0.179 -2.054 1.00 0.60 O ATOM 1303 CB PHE A 84 -1.648 -1.631 -2.980 1.00 0.77 C ATOM 1304 CG PHE A 84 -0.194 -2.006 -3.166 1.00 0.82 C ATOM 1305 CD1 PHE A 84 0.392 -1.903 -4.442 1.00 2.54 C ATOM 1306 CD2 PHE A 84 0.575 -2.463 -2.078 1.00 1.81 C ATOM 1307 CE1 PHE A 84 1.731 -2.276 -4.635 1.00 2.59 C ATOM 1308 CE2 PHE A 84 1.919 -2.821 -2.269 1.00 1.86 C ATOM 1309 CZ PHE A 84 2.497 -2.725 -3.544 1.00 1.06 C ATOM 0 H PHE A 84 -1.062 0.082 -1.233 1.00 0.70 H new ATOM 0 HA PHE A 84 -1.529 0.181 -4.099 1.00 0.66 H new ATOM 0 HB2 PHE A 84 -1.970 -1.949 -1.988 1.00 0.77 H new ATOM 0 HB3 PHE A 84 -2.249 -2.183 -3.702 1.00 0.77 H new ATOM 0 HD1 PHE A 84 -0.190 -1.536 -5.274 1.00 2.54 H new ATOM 0 HD2 PHE A 84 0.131 -2.538 -1.097 1.00 1.81 H new ATOM 0 HE1 PHE A 84 2.172 -2.218 -5.619 1.00 2.59 H new ATOM 0 HE2 PHE A 84 2.508 -3.170 -1.434 1.00 1.86 H new ATOM 0 HZ PHE A 84 3.532 -2.996 -3.688 1.00 1.06 H new ATOM 1319 N MET A 85 -4.053 0.291 -4.302 1.00 0.51 N ATOM 1320 CA MET A 85 -5.493 0.144 -4.549 1.00 0.51 C ATOM 1321 C MET A 85 -5.761 -1.307 -4.949 1.00 0.54 C ATOM 1322 O MET A 85 -5.058 -1.847 -5.798 1.00 0.58 O ATOM 1323 CB MET A 85 -5.974 1.095 -5.648 1.00 0.57 C ATOM 1324 CG MET A 85 -7.342 1.690 -5.281 1.00 0.64 C ATOM 1325 SD MET A 85 -7.317 2.837 -3.863 1.00 0.48 S ATOM 1326 CE MET A 85 -9.083 2.868 -3.439 1.00 0.49 C ATOM 0 H MET A 85 -3.535 0.528 -5.148 1.00 0.51 H new ATOM 0 HA MET A 85 -6.042 0.399 -3.642 1.00 0.51 H new ATOM 0 HB2 MET A 85 -5.248 1.896 -5.788 1.00 0.57 H new ATOM 0 HB3 MET A 85 -6.045 0.560 -6.595 1.00 0.57 H new ATOM 0 HG2 MET A 85 -7.739 2.216 -6.149 1.00 0.64 H new ATOM 0 HG3 MET A 85 -8.030 0.874 -5.059 1.00 0.64 H new ATOM 0 HE1 MET A 85 -9.294 3.741 -2.821 1.00 0.49 H new ATOM 0 HE2 MET A 85 -9.676 2.919 -4.352 1.00 0.49 H new ATOM 0 HE3 MET A 85 -9.341 1.963 -2.889 1.00 0.49 H new ATOM 1336 N LEU A 86 -6.746 -1.948 -4.329 1.00 0.55 N ATOM 1337 CA LEU A 86 -7.097 -3.355 -4.541 1.00 0.57 C ATOM 1338 C LEU A 86 -8.483 -3.433 -5.189 1.00 0.56 C ATOM 1339 O LEU A 86 -9.375 -2.665 -4.834 1.00 0.69 O ATOM 1340 CB LEU A 86 -7.113 -4.093 -3.187 1.00 0.59 C ATOM 1341 CG LEU A 86 -5.759 -4.512 -2.570 1.00 0.62 C ATOM 1342 CD1 LEU A 86 -4.771 -3.361 -2.345 1.00 0.70 C ATOM 1343 CD2 LEU A 86 -6.029 -5.182 -1.212 1.00 0.63 C ATOM 0 H LEU A 86 -7.344 -1.490 -3.641 1.00 0.55 H new ATOM 0 HA LEU A 86 -6.361 -3.824 -5.194 1.00 0.57 H new ATOM 0 HB2 LEU A 86 -7.625 -3.456 -2.466 1.00 0.59 H new ATOM 0 HB3 LEU A 86 -7.718 -4.992 -3.304 1.00 0.59 H new ATOM 0 HG LEU A 86 -5.293 -5.183 -3.292 1.00 0.62 H new ATOM 0 HD11 LEU A 86 -3.851 -3.751 -1.909 1.00 0.70 H new ATOM 0 HD12 LEU A 86 -4.547 -2.882 -3.298 1.00 0.70 H new ATOM 0 HD13 LEU A 86 -5.212 -2.630 -1.667 1.00 0.70 H new ATOM 0 HD21 LEU A 86 -5.084 -5.485 -0.761 1.00 0.63 H new ATOM 0 HD22 LEU A 86 -6.536 -4.477 -0.553 1.00 0.63 H new ATOM 0 HD23 LEU A 86 -6.659 -6.060 -1.358 1.00 0.63 H new ATOM 1355 N LEU A 87 -8.696 -4.383 -6.096 1.00 0.54 N ATOM 1356 CA LEU A 87 -9.940 -4.537 -6.850 1.00 0.59 C ATOM 1357 C LEU A 87 -10.348 -6.007 -6.957 1.00 0.58 C ATOM 1358 O LEU A 87 -9.509 -6.884 -7.178 1.00 0.64 O ATOM 1359 CB LEU A 87 -9.726 -3.894 -8.237 1.00 0.77 C ATOM 1360 CG LEU A 87 -10.162 -2.415 -8.272 1.00 0.94 C ATOM 1361 CD1 LEU A 87 -9.305 -1.613 -9.257 1.00 1.77 C ATOM 1362 CD2 LEU A 87 -11.647 -2.332 -8.653 1.00 2.16 C ATOM 0 H LEU A 87 -7.994 -5.083 -6.333 1.00 0.54 H new ATOM 0 HA LEU A 87 -10.761 -4.038 -6.335 1.00 0.59 H new ATOM 0 HB2 LEU A 87 -8.673 -3.966 -8.510 1.00 0.77 H new ATOM 0 HB3 LEU A 87 -10.288 -4.454 -8.985 1.00 0.77 H new ATOM 0 HG LEU A 87 -10.019 -1.980 -7.283 1.00 0.94 H new ATOM 0 HD11 LEU A 87 -9.633 -0.574 -9.262 1.00 1.77 H new ATOM 0 HD12 LEU A 87 -8.259 -1.662 -8.953 1.00 1.77 H new ATOM 0 HD13 LEU A 87 -9.412 -2.032 -10.257 1.00 1.77 H new ATOM 0 HD21 LEU A 87 -11.958 -1.288 -8.679 1.00 2.16 H new ATOM 0 HD22 LEU A 87 -11.796 -2.779 -9.636 1.00 2.16 H new ATOM 0 HD23 LEU A 87 -12.242 -2.870 -7.915 1.00 2.16 H new ATOM 1374 N GLY A 88 -11.651 -6.281 -6.817 1.00 0.58 N ATOM 1375 CA GLY A 88 -12.233 -7.611 -7.038 1.00 0.65 C ATOM 1376 C GLY A 88 -11.959 -8.602 -5.908 1.00 0.69 C ATOM 1377 O GLY A 88 -11.672 -9.763 -6.192 1.00 0.93 O ATOM 0 H GLY A 88 -12.338 -5.578 -6.544 1.00 0.58 H new ATOM 0 HA2 GLY A 88 -13.311 -7.509 -7.165 1.00 0.65 H new ATOM 0 HA3 GLY A 88 -11.840 -8.019 -7.969 1.00 0.65 H new ATOM 1381 N LEU A 89 -11.996 -8.148 -4.650 1.00 0.58 N ATOM 1382 CA LEU A 89 -11.766 -8.946 -3.440 1.00 0.60 C ATOM 1383 C LEU A 89 -12.504 -10.285 -3.334 1.00 0.67 C ATOM 1384 O LEU A 89 -13.582 -10.502 -3.882 1.00 0.94 O ATOM 1385 CB LEU A 89 -11.957 -8.105 -2.163 1.00 0.63 C ATOM 1386 CG LEU A 89 -13.198 -7.190 -2.059 1.00 0.79 C ATOM 1387 CD1 LEU A 89 -14.534 -7.920 -2.248 1.00 1.39 C ATOM 1388 CD2 LEU A 89 -13.170 -6.531 -0.680 1.00 1.20 C ATOM 0 H LEU A 89 -12.196 -7.171 -4.438 1.00 0.58 H new ATOM 0 HA LEU A 89 -10.722 -9.242 -3.541 1.00 0.60 H new ATOM 0 HB2 LEU A 89 -11.979 -8.790 -1.316 1.00 0.63 H new ATOM 0 HB3 LEU A 89 -11.073 -7.479 -2.044 1.00 0.63 H new ATOM 0 HG LEU A 89 -13.142 -6.464 -2.870 1.00 0.79 H new ATOM 0 HD11 LEU A 89 -15.354 -7.207 -2.160 1.00 1.39 H new ATOM 0 HD12 LEU A 89 -14.559 -8.383 -3.235 1.00 1.39 H new ATOM 0 HD13 LEU A 89 -14.639 -8.690 -1.484 1.00 1.39 H new ATOM 0 HD21 LEU A 89 -14.035 -5.876 -0.572 1.00 1.20 H new ATOM 0 HD22 LEU A 89 -13.199 -7.300 0.092 1.00 1.20 H new ATOM 0 HD23 LEU A 89 -12.256 -5.946 -0.575 1.00 1.20 H new ATOM 1400 N LYS A 90 -11.854 -11.202 -2.611 1.00 0.66 N ATOM 1401 CA LYS A 90 -12.264 -12.616 -2.493 1.00 0.73 C ATOM 1402 C LYS A 90 -12.674 -13.040 -1.069 1.00 0.85 C ATOM 1403 O LYS A 90 -13.270 -14.099 -0.889 1.00 0.93 O ATOM 1404 CB LYS A 90 -11.153 -13.535 -3.038 1.00 0.72 C ATOM 1405 CG LYS A 90 -10.600 -13.189 -4.439 1.00 0.78 C ATOM 1406 CD LYS A 90 -11.685 -12.987 -5.503 1.00 1.47 C ATOM 1407 CE LYS A 90 -11.125 -12.660 -6.898 1.00 1.50 C ATOM 1408 NZ LYS A 90 -12.176 -12.061 -7.764 1.00 2.67 N ATOM 0 H LYS A 90 -11.011 -10.984 -2.079 1.00 0.66 H new ATOM 0 HA LYS A 90 -13.165 -12.722 -3.097 1.00 0.73 H new ATOM 0 HB2 LYS A 90 -10.323 -13.524 -2.331 1.00 0.72 H new ATOM 0 HB3 LYS A 90 -11.536 -14.555 -3.064 1.00 0.72 H new ATOM 0 HG2 LYS A 90 -10.001 -12.281 -4.368 1.00 0.78 H new ATOM 0 HG3 LYS A 90 -9.932 -13.987 -4.762 1.00 0.78 H new ATOM 0 HD2 LYS A 90 -12.292 -13.890 -5.567 1.00 1.47 H new ATOM 0 HD3 LYS A 90 -12.346 -12.180 -5.187 1.00 1.47 H new ATOM 0 HE2 LYS A 90 -10.287 -11.969 -6.805 1.00 1.50 H new ATOM 0 HE3 LYS A 90 -10.740 -13.568 -7.362 1.00 1.50 H new ATOM 0 HZ1 LYS A 90 -11.789 -11.896 -8.715 1.00 2.67 H new ATOM 0 HZ2 LYS A 90 -12.986 -12.711 -7.827 1.00 2.67 H new ATOM 0 HZ3 LYS A 90 -12.489 -11.157 -7.356 1.00 2.67 H new ATOM 1422 N ARG A 91 -12.369 -12.212 -0.057 1.00 0.98 N ATOM 1423 CA ARG A 91 -12.877 -12.310 1.328 1.00 1.20 C ATOM 1424 C ARG A 91 -13.652 -11.019 1.669 1.00 1.12 C ATOM 1425 O ARG A 91 -13.369 -9.987 1.056 1.00 0.96 O ATOM 1426 CB ARG A 91 -11.725 -12.517 2.338 1.00 1.39 C ATOM 1427 CG ARG A 91 -11.135 -13.941 2.288 1.00 1.91 C ATOM 1428 CD ARG A 91 -9.774 -14.123 2.987 1.00 2.84 C ATOM 1429 NE ARG A 91 -9.748 -13.679 4.389 1.00 3.45 N ATOM 1430 CZ ARG A 91 -8.702 -13.718 5.208 1.00 4.69 C ATOM 1431 NH1 ARG A 91 -7.511 -14.193 4.903 1.00 5.51 N ATOM 1432 NH2 ARG A 91 -8.855 -13.232 6.403 1.00 5.67 N ATOM 0 H ARG A 91 -11.736 -11.422 -0.183 1.00 0.98 H new ATOM 0 HA ARG A 91 -13.537 -13.175 1.398 1.00 1.20 H new ATOM 0 HB2 ARG A 91 -10.935 -11.794 2.134 1.00 1.39 H new ATOM 0 HB3 ARG A 91 -12.090 -12.315 3.345 1.00 1.39 H new ATOM 0 HG2 ARG A 91 -11.850 -14.627 2.741 1.00 1.91 H new ATOM 0 HG3 ARG A 91 -11.029 -14.234 1.244 1.00 1.91 H new ATOM 0 HD2 ARG A 91 -9.496 -15.176 2.947 1.00 2.84 H new ATOM 0 HD3 ARG A 91 -9.016 -13.572 2.430 1.00 2.84 H new ATOM 0 HE ARG A 91 -10.617 -13.305 4.770 1.00 3.45 H new ATOM 0 HH11 ARG A 91 -7.336 -14.571 3.972 1.00 5.51 H new ATOM 0 HH12 ARG A 91 -6.764 -14.182 5.598 1.00 5.51 H new ATOM 0 HH21 ARG A 91 -9.754 -12.839 6.683 1.00 5.67 H new ATOM 0 HH22 ARG A 91 -8.076 -13.243 7.062 1.00 5.67 H new ATOM 1446 N PRO A 92 -14.614 -11.064 2.610 1.00 1.47 N ATOM 1447 CA PRO A 92 -15.339 -9.879 3.051 1.00 1.39 C ATOM 1448 C PRO A 92 -14.417 -8.974 3.869 1.00 1.21 C ATOM 1449 O PRO A 92 -13.530 -9.450 4.574 1.00 1.79 O ATOM 1450 CB PRO A 92 -16.508 -10.401 3.892 1.00 2.01 C ATOM 1451 CG PRO A 92 -15.957 -11.701 4.477 1.00 2.40 C ATOM 1452 CD PRO A 92 -15.073 -12.237 3.350 1.00 2.10 C ATOM 0 HA PRO A 92 -15.699 -9.278 2.216 1.00 1.39 H new ATOM 0 HB2 PRO A 92 -16.790 -9.695 4.673 1.00 2.01 H new ATOM 0 HB3 PRO A 92 -17.396 -10.576 3.284 1.00 2.01 H new ATOM 0 HG2 PRO A 92 -15.386 -11.523 5.388 1.00 2.40 H new ATOM 0 HG3 PRO A 92 -16.754 -12.399 4.731 1.00 2.40 H new ATOM 0 HD2 PRO A 92 -14.230 -12.802 3.749 1.00 2.10 H new ATOM 0 HD3 PRO A 92 -15.632 -12.913 2.703 1.00 2.10 H new ATOM 1460 N LEU A 93 -14.662 -7.665 3.808 1.00 1.23 N ATOM 1461 CA LEU A 93 -13.993 -6.688 4.643 1.00 1.63 C ATOM 1462 C LEU A 93 -14.812 -6.532 5.920 1.00 1.50 C ATOM 1463 O LEU A 93 -15.963 -6.099 5.926 1.00 2.21 O ATOM 1464 CB LEU A 93 -13.816 -5.367 3.879 1.00 2.59 C ATOM 1465 CG LEU A 93 -12.783 -5.448 2.737 1.00 2.11 C ATOM 1466 CD1 LEU A 93 -12.813 -4.165 1.904 1.00 3.08 C ATOM 1467 CD2 LEU A 93 -11.349 -5.677 3.233 1.00 2.04 C ATOM 0 H LEU A 93 -15.341 -7.256 3.166 1.00 1.23 H new ATOM 0 HA LEU A 93 -12.989 -7.015 4.912 1.00 1.63 H new ATOM 0 HB2 LEU A 93 -14.778 -5.064 3.466 1.00 2.59 H new ATOM 0 HB3 LEU A 93 -13.510 -4.590 4.580 1.00 2.59 H new ATOM 0 HG LEU A 93 -13.068 -6.310 2.134 1.00 2.11 H new ATOM 0 HD11 LEU A 93 -12.079 -4.235 1.101 1.00 3.08 H new ATOM 0 HD12 LEU A 93 -13.807 -4.032 1.477 1.00 3.08 H new ATOM 0 HD13 LEU A 93 -12.575 -3.313 2.540 1.00 3.08 H new ATOM 0 HD21 LEU A 93 -10.672 -5.724 2.380 1.00 2.04 H new ATOM 0 HD22 LEU A 93 -11.054 -4.855 3.885 1.00 2.04 H new ATOM 0 HD23 LEU A 93 -11.301 -6.615 3.787 1.00 2.04 H new ATOM 1479 N LYS A 94 -14.178 -6.933 7.008 1.00 1.09 N ATOM 1480 CA LYS A 94 -14.623 -6.708 8.379 1.00 1.11 C ATOM 1481 C LYS A 94 -13.613 -5.826 9.135 1.00 1.00 C ATOM 1482 O LYS A 94 -12.497 -5.608 8.667 1.00 1.56 O ATOM 1483 CB LYS A 94 -14.750 -8.057 9.106 1.00 1.53 C ATOM 1484 CG LYS A 94 -15.562 -9.138 8.383 1.00 1.82 C ATOM 1485 CD LYS A 94 -15.438 -10.419 9.208 1.00 3.01 C ATOM 1486 CE LYS A 94 -16.115 -11.600 8.502 1.00 3.70 C ATOM 1487 NZ LYS A 94 -15.422 -12.873 8.808 1.00 4.67 N ATOM 0 H LYS A 94 -13.299 -7.448 6.961 1.00 1.09 H new ATOM 0 HA LYS A 94 -15.589 -6.204 8.352 1.00 1.11 H new ATOM 0 HB2 LYS A 94 -13.748 -8.445 9.288 1.00 1.53 H new ATOM 0 HB3 LYS A 94 -15.205 -7.880 10.081 1.00 1.53 H new ATOM 0 HG2 LYS A 94 -16.606 -8.839 8.291 1.00 1.82 H new ATOM 0 HG3 LYS A 94 -15.184 -9.292 7.372 1.00 1.82 H new ATOM 0 HD2 LYS A 94 -14.385 -10.647 9.375 1.00 3.01 H new ATOM 0 HD3 LYS A 94 -15.891 -10.269 10.188 1.00 3.01 H new ATOM 0 HE2 LYS A 94 -17.157 -11.666 8.815 1.00 3.70 H new ATOM 0 HE3 LYS A 94 -16.115 -11.432 7.425 1.00 3.70 H new ATOM 0 HZ1 LYS A 94 -16.103 -13.658 8.765 1.00 4.67 H new ATOM 0 HZ2 LYS A 94 -14.665 -13.032 8.112 1.00 4.67 H new ATOM 0 HZ3 LYS A 94 -15.010 -12.824 9.762 1.00 4.67 H new ATOM 1501 N ALA A 95 -13.989 -5.416 10.341 1.00 1.08 N ATOM 1502 CA ALA A 95 -13.008 -5.277 11.408 1.00 1.20 C ATOM 1503 C ALA A 95 -12.691 -6.694 11.908 1.00 1.27 C ATOM 1504 O ALA A 95 -13.597 -7.523 12.037 1.00 1.48 O ATOM 1505 CB ALA A 95 -13.576 -4.388 12.515 1.00 1.63 C ATOM 0 H ALA A 95 -14.946 -5.178 10.601 1.00 1.08 H new ATOM 0 HA ALA A 95 -12.091 -4.800 11.062 1.00 1.20 H new ATOM 0 HB1 ALA A 95 -12.840 -4.285 13.313 1.00 1.63 H new ATOM 0 HB2 ALA A 95 -13.809 -3.404 12.108 1.00 1.63 H new ATOM 0 HB3 ALA A 95 -14.484 -4.840 12.915 1.00 1.63 H new ATOM 1511 N GLY A 96 -11.418 -6.989 12.139 1.00 1.30 N ATOM 1512 CA GLY A 96 -10.984 -8.257 12.728 1.00 1.52 C ATOM 1513 C GLY A 96 -10.953 -9.417 11.735 1.00 1.59 C ATOM 1514 O GLY A 96 -11.393 -10.518 12.062 1.00 2.13 O ATOM 0 H GLY A 96 -10.650 -6.354 11.923 1.00 1.30 H new ATOM 0 HA2 GLY A 96 -9.989 -8.128 13.153 1.00 1.52 H new ATOM 0 HA3 GLY A 96 -11.652 -8.513 13.551 1.00 1.52 H new ATOM 1518 N GLU A 97 -10.405 -9.187 10.541 1.00 1.27 N ATOM 1519 CA GLU A 97 -9.710 -10.260 9.807 1.00 1.22 C ATOM 1520 C GLU A 97 -8.203 -9.981 9.733 1.00 1.08 C ATOM 1521 O GLU A 97 -7.734 -8.920 10.141 1.00 1.03 O ATOM 1522 CB GLU A 97 -10.251 -10.487 8.381 1.00 1.31 C ATOM 1523 CG GLU A 97 -11.751 -10.799 8.284 1.00 1.52 C ATOM 1524 CD GLU A 97 -12.118 -11.828 7.202 1.00 1.89 C ATOM 1525 OE1 GLU A 97 -11.333 -12.082 6.259 1.00 2.82 O ATOM 1526 OE2 GLU A 97 -13.201 -12.434 7.362 1.00 2.55 O ATOM 0 H GLU A 97 -10.424 -8.286 10.063 1.00 1.27 H new ATOM 0 HA GLU A 97 -9.901 -11.171 10.375 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -10.044 -9.597 7.787 1.00 1.31 H new ATOM 0 HB3 GLU A 97 -9.697 -11.309 7.928 1.00 1.31 H new ATOM 0 HG2 GLU A 97 -12.096 -11.167 9.250 1.00 1.52 H new ATOM 0 HG3 GLU A 97 -12.290 -9.873 8.085 1.00 1.52 H new ATOM 1533 N GLU A 98 -7.450 -10.902 9.134 1.00 1.08 N ATOM 1534 CA GLU A 98 -6.030 -10.828 8.864 1.00 0.95 C ATOM 1535 C GLU A 98 -5.756 -11.561 7.548 1.00 1.13 C ATOM 1536 O GLU A 98 -6.336 -12.605 7.241 1.00 1.45 O ATOM 1537 CB GLU A 98 -5.177 -11.356 10.029 1.00 0.96 C ATOM 1538 CG GLU A 98 -5.420 -12.828 10.380 1.00 1.95 C ATOM 1539 CD GLU A 98 -4.432 -13.263 11.455 1.00 2.47 C ATOM 1540 OE1 GLU A 98 -3.265 -13.510 11.079 1.00 3.36 O ATOM 1541 OE2 GLU A 98 -4.839 -13.295 12.635 1.00 3.02 O ATOM 0 H GLU A 98 -7.853 -11.779 8.804 1.00 1.08 H new ATOM 0 HA GLU A 98 -5.734 -9.784 8.763 1.00 0.95 H new ATOM 0 HB2 GLU A 98 -4.124 -11.224 9.780 1.00 0.96 H new ATOM 0 HB3 GLU A 98 -5.375 -10.748 10.912 1.00 0.96 H new ATOM 0 HG2 GLU A 98 -6.442 -12.965 10.733 1.00 1.95 H new ATOM 0 HG3 GLU A 98 -5.304 -13.449 9.492 1.00 1.95 H new ATOM 1548 N VAL A 99 -4.952 -10.910 6.727 1.00 1.02 N ATOM 1549 CA VAL A 99 -4.791 -11.108 5.281 1.00 1.04 C ATOM 1550 C VAL A 99 -3.313 -11.009 4.911 1.00 0.96 C ATOM 1551 O VAL A 99 -2.619 -10.092 5.345 1.00 0.97 O ATOM 1552 CB VAL A 99 -5.605 -10.022 4.534 1.00 1.10 C ATOM 1553 CG1 VAL A 99 -5.165 -9.791 3.079 1.00 1.13 C ATOM 1554 CG2 VAL A 99 -7.097 -10.387 4.546 1.00 1.32 C ATOM 0 H VAL A 99 -4.343 -10.169 7.072 1.00 1.02 H new ATOM 0 HA VAL A 99 -5.156 -12.095 4.996 1.00 1.04 H new ATOM 0 HB VAL A 99 -5.417 -9.093 5.072 1.00 1.10 H new ATOM 0 HG11 VAL A 99 -5.786 -9.016 2.630 1.00 1.13 H new ATOM 0 HG12 VAL A 99 -4.122 -9.477 3.060 1.00 1.13 H new ATOM 0 HG13 VAL A 99 -5.275 -10.717 2.514 1.00 1.13 H new ATOM 0 HG21 VAL A 99 -7.664 -9.619 4.019 1.00 1.32 H new ATOM 0 HG22 VAL A 99 -7.241 -11.348 4.051 1.00 1.32 H new ATOM 0 HG23 VAL A 99 -7.447 -10.453 5.576 1.00 1.32 H new ATOM 1564 N GLU A 100 -2.845 -11.925 4.064 1.00 0.97 N ATOM 1565 CA GLU A 100 -1.494 -11.876 3.509 1.00 0.94 C ATOM 1566 C GLU A 100 -1.391 -10.971 2.270 1.00 0.88 C ATOM 1567 O GLU A 100 -2.300 -10.907 1.433 1.00 0.90 O ATOM 1568 CB GLU A 100 -0.982 -13.294 3.223 1.00 1.10 C ATOM 1569 CG GLU A 100 -1.681 -13.936 2.021 1.00 2.04 C ATOM 1570 CD GLU A 100 -1.497 -15.444 2.015 1.00 2.08 C ATOM 1571 OE1 GLU A 100 -0.345 -15.886 1.802 1.00 2.25 O ATOM 1572 OE2 GLU A 100 -2.523 -16.127 2.198 1.00 3.08 O ATOM 0 H GLU A 100 -3.393 -12.723 3.743 1.00 0.97 H new ATOM 0 HA GLU A 100 -0.850 -11.422 4.262 1.00 0.94 H new ATOM 0 HB2 GLU A 100 0.092 -13.259 3.039 1.00 1.10 H new ATOM 0 HB3 GLU A 100 -1.135 -13.917 4.104 1.00 1.10 H new ATOM 0 HG2 GLU A 100 -2.744 -13.698 2.046 1.00 2.04 H new ATOM 0 HG3 GLU A 100 -1.282 -13.515 1.098 1.00 2.04 H new ATOM 1579 N LEU A 101 -0.230 -10.322 2.150 1.00 0.87 N ATOM 1580 CA LEU A 101 0.294 -9.680 0.951 1.00 0.82 C ATOM 1581 C LEU A 101 1.659 -10.289 0.586 1.00 0.86 C ATOM 1582 O LEU A 101 2.465 -10.631 1.458 1.00 1.04 O ATOM 1583 CB LEU A 101 0.447 -8.157 1.170 1.00 0.88 C ATOM 1584 CG LEU A 101 -0.701 -7.304 0.595 1.00 1.00 C ATOM 1585 CD1 LEU A 101 -2.001 -7.377 1.411 1.00 1.76 C ATOM 1586 CD2 LEU A 101 -0.259 -5.838 0.505 1.00 1.45 C ATOM 0 H LEU A 101 0.407 -10.227 2.941 1.00 0.87 H new ATOM 0 HA LEU A 101 -0.409 -9.847 0.135 1.00 0.82 H new ATOM 0 HB2 LEU A 101 0.524 -7.964 2.240 1.00 0.88 H new ATOM 0 HB3 LEU A 101 1.384 -7.831 0.719 1.00 0.88 H new ATOM 0 HG LEU A 101 -0.919 -7.717 -0.390 1.00 1.00 H new ATOM 0 HD11 LEU A 101 -2.760 -6.751 0.943 1.00 1.76 H new ATOM 0 HD12 LEU A 101 -2.352 -8.408 1.445 1.00 1.76 H new ATOM 0 HD13 LEU A 101 -1.814 -7.024 2.425 1.00 1.76 H new ATOM 0 HD21 LEU A 101 -1.072 -5.237 0.098 1.00 1.45 H new ATOM 0 HD22 LEU A 101 -0.001 -5.474 1.500 1.00 1.45 H new ATOM 0 HD23 LEU A 101 0.611 -5.760 -0.147 1.00 1.45 H new ATOM 1598 N ASP A 102 1.913 -10.344 -0.721 1.00 0.76 N ATOM 1599 CA ASP A 102 3.185 -10.642 -1.362 1.00 0.80 C ATOM 1600 C ASP A 102 3.601 -9.408 -2.180 1.00 0.92 C ATOM 1601 O ASP A 102 2.956 -9.053 -3.169 1.00 1.48 O ATOM 1602 CB ASP A 102 3.017 -11.852 -2.287 1.00 1.07 C ATOM 1603 CG ASP A 102 2.889 -13.175 -1.539 1.00 1.43 C ATOM 1604 OD1 ASP A 102 3.844 -13.572 -0.836 1.00 2.31 O ATOM 1605 OD2 ASP A 102 1.821 -13.819 -1.667 1.00 1.92 O ATOM 0 H ASP A 102 1.178 -10.168 -1.406 1.00 0.76 H new ATOM 0 HA ASP A 102 3.948 -10.875 -0.619 1.00 0.80 H new ATOM 0 HB2 ASP A 102 2.132 -11.706 -2.906 1.00 1.07 H new ATOM 0 HB3 ASP A 102 3.872 -11.906 -2.961 1.00 1.07 H new ATOM 1610 N LEU A 103 4.662 -8.722 -1.761 1.00 0.58 N ATOM 1611 CA LEU A 103 5.175 -7.524 -2.429 1.00 0.64 C ATOM 1612 C LEU A 103 6.074 -7.939 -3.593 1.00 0.65 C ATOM 1613 O LEU A 103 6.872 -8.860 -3.443 1.00 0.75 O ATOM 1614 CB LEU A 103 5.977 -6.666 -1.436 1.00 0.68 C ATOM 1615 CG LEU A 103 5.154 -5.875 -0.400 1.00 0.77 C ATOM 1616 CD1 LEU A 103 4.320 -6.769 0.526 1.00 0.97 C ATOM 1617 CD2 LEU A 103 6.130 -5.053 0.448 1.00 0.86 C ATOM 0 H LEU A 103 5.199 -8.986 -0.935 1.00 0.58 H new ATOM 0 HA LEU A 103 4.337 -6.937 -2.804 1.00 0.64 H new ATOM 0 HB2 LEU A 103 6.667 -7.318 -0.900 1.00 0.68 H new ATOM 0 HB3 LEU A 103 6.582 -5.960 -2.004 1.00 0.68 H new ATOM 0 HG LEU A 103 4.450 -5.247 -0.945 1.00 0.77 H new ATOM 0 HD11 LEU A 103 3.766 -6.148 1.230 1.00 0.97 H new ATOM 0 HD12 LEU A 103 3.620 -7.356 -0.069 1.00 0.97 H new ATOM 0 HD13 LEU A 103 4.980 -7.440 1.076 1.00 0.97 H new ATOM 0 HD21 LEU A 103 5.574 -4.482 1.191 1.00 0.86 H new ATOM 0 HD22 LEU A 103 6.827 -5.722 0.952 1.00 0.86 H new ATOM 0 HD23 LEU A 103 6.684 -4.369 -0.195 1.00 0.86 H new ATOM 1629 N LEU A 104 5.992 -7.235 -4.727 1.00 0.58 N ATOM 1630 CA LEU A 104 6.818 -7.471 -5.907 1.00 0.54 C ATOM 1631 C LEU A 104 7.891 -6.379 -6.027 1.00 0.51 C ATOM 1632 O LEU A 104 7.612 -5.221 -6.357 1.00 0.56 O ATOM 1633 CB LEU A 104 5.922 -7.526 -7.159 1.00 0.59 C ATOM 1634 CG LEU A 104 4.804 -8.592 -7.138 1.00 0.65 C ATOM 1635 CD1 LEU A 104 4.055 -8.584 -8.479 1.00 0.73 C ATOM 1636 CD2 LEU A 104 5.322 -10.009 -6.853 1.00 0.66 C ATOM 0 H LEU A 104 5.332 -6.467 -4.849 1.00 0.58 H new ATOM 0 HA LEU A 104 7.331 -8.428 -5.813 1.00 0.54 H new ATOM 0 HB2 LEU A 104 5.463 -6.547 -7.297 1.00 0.59 H new ATOM 0 HB3 LEU A 104 6.555 -7.707 -8.028 1.00 0.59 H new ATOM 0 HG LEU A 104 4.135 -8.326 -6.320 1.00 0.65 H new ATOM 0 HD11 LEU A 104 3.267 -9.337 -8.460 1.00 0.73 H new ATOM 0 HD12 LEU A 104 3.613 -7.601 -8.643 1.00 0.73 H new ATOM 0 HD13 LEU A 104 4.752 -8.808 -9.286 1.00 0.73 H new ATOM 0 HD21 LEU A 104 4.486 -10.709 -6.852 1.00 0.66 H new ATOM 0 HD22 LEU A 104 6.036 -10.297 -7.624 1.00 0.66 H new ATOM 0 HD23 LEU A 104 5.812 -10.028 -5.880 1.00 0.66 H new ATOM 1648 N PHE A 105 9.139 -6.766 -5.783 1.00 0.53 N ATOM 1649 CA PHE A 105 10.322 -5.938 -5.990 1.00 0.55 C ATOM 1650 C PHE A 105 10.990 -6.254 -7.337 1.00 0.65 C ATOM 1651 O PHE A 105 10.917 -7.368 -7.861 1.00 0.93 O ATOM 1652 CB PHE A 105 11.283 -6.077 -4.801 1.00 0.57 C ATOM 1653 CG PHE A 105 10.696 -5.625 -3.477 1.00 0.57 C ATOM 1654 CD1 PHE A 105 10.826 -4.287 -3.053 1.00 1.91 C ATOM 1655 CD2 PHE A 105 10.024 -6.552 -2.655 1.00 1.77 C ATOM 1656 CE1 PHE A 105 10.285 -3.879 -1.822 1.00 1.95 C ATOM 1657 CE2 PHE A 105 9.482 -6.140 -1.429 1.00 1.77 C ATOM 1658 CZ PHE A 105 9.608 -4.807 -1.012 1.00 0.72 C ATOM 0 H PHE A 105 9.362 -7.694 -5.424 1.00 0.53 H new ATOM 0 HA PHE A 105 10.019 -4.892 -6.038 1.00 0.55 H new ATOM 0 HB2 PHE A 105 11.589 -7.120 -4.714 1.00 0.57 H new ATOM 0 HB3 PHE A 105 12.183 -5.497 -5.005 1.00 0.57 H new ATOM 0 HD1 PHE A 105 11.343 -3.573 -3.677 1.00 1.91 H new ATOM 0 HD2 PHE A 105 9.926 -7.581 -2.970 1.00 1.77 H new ATOM 0 HE1 PHE A 105 10.389 -2.854 -1.499 1.00 1.95 H new ATOM 0 HE2 PHE A 105 8.965 -6.852 -0.803 1.00 1.77 H new ATOM 0 HZ PHE A 105 9.185 -4.494 -0.069 1.00 0.72 H new ATOM 1668 N ALA A 106 11.640 -5.233 -7.904 1.00 0.60 N ATOM 1669 CA ALA A 106 12.162 -5.218 -9.270 1.00 0.70 C ATOM 1670 C ALA A 106 13.077 -6.413 -9.590 1.00 1.11 C ATOM 1671 O ALA A 106 14.064 -6.686 -8.896 1.00 1.60 O ATOM 1672 CB ALA A 106 12.869 -3.878 -9.509 1.00 1.02 C ATOM 0 H ALA A 106 11.823 -4.363 -7.404 1.00 0.60 H new ATOM 0 HA ALA A 106 11.321 -5.322 -9.956 1.00 0.70 H new ATOM 0 HB1 ALA A 106 13.264 -3.851 -10.524 1.00 1.02 H new ATOM 0 HB2 ALA A 106 12.158 -3.063 -9.375 1.00 1.02 H new ATOM 0 HB3 ALA A 106 13.688 -3.767 -8.798 1.00 1.02 H new ATOM 1678 N GLY A 107 12.753 -7.125 -10.677 1.00 1.69 N ATOM 1679 CA GLY A 107 13.457 -8.340 -11.092 1.00 2.35 C ATOM 1680 C GLY A 107 13.044 -9.568 -10.277 1.00 2.02 C ATOM 1681 O GLY A 107 13.915 -10.273 -9.778 1.00 2.69 O ATOM 0 H GLY A 107 11.986 -6.869 -11.298 1.00 1.69 H new ATOM 0 HA2 GLY A 107 13.260 -8.527 -12.148 1.00 2.35 H new ATOM 0 HA3 GLY A 107 14.531 -8.186 -10.990 1.00 2.35 H new ATOM 1685 N GLY A 108 11.729 -9.795 -10.130 1.00 1.76 N ATOM 1686 CA GLY A 108 11.141 -11.062 -9.659 1.00 2.15 C ATOM 1687 C GLY A 108 11.174 -11.301 -8.147 1.00 2.01 C ATOM 1688 O GLY A 108 10.953 -12.424 -7.701 1.00 2.65 O ATOM 0 H GLY A 108 11.027 -9.086 -10.340 1.00 1.76 H new ATOM 0 HA2 GLY A 108 10.103 -11.102 -9.990 1.00 2.15 H new ATOM 0 HA3 GLY A 108 11.663 -11.885 -10.148 1.00 2.15 H new ATOM 1692 N LYS A 109 11.488 -10.294 -7.334 1.00 1.29 N ATOM 1693 CA LYS A 109 11.786 -10.504 -5.913 1.00 0.98 C ATOM 1694 C LYS A 109 10.536 -10.356 -5.064 1.00 0.83 C ATOM 1695 O LYS A 109 10.092 -9.244 -4.810 1.00 1.08 O ATOM 1696 CB LYS A 109 12.881 -9.533 -5.486 1.00 1.00 C ATOM 1697 CG LYS A 109 14.208 -10.048 -6.037 1.00 1.63 C ATOM 1698 CD LYS A 109 15.180 -8.897 -6.346 1.00 2.09 C ATOM 1699 CE LYS A 109 16.099 -9.272 -7.516 1.00 3.25 C ATOM 1700 NZ LYS A 109 16.476 -8.073 -8.301 1.00 3.98 N ATOM 0 H LYS A 109 11.543 -9.321 -7.634 1.00 1.29 H new ATOM 0 HA LYS A 109 12.144 -11.523 -5.763 1.00 0.98 H new ATOM 0 HB2 LYS A 109 12.673 -8.533 -5.866 1.00 1.00 H new ATOM 0 HB3 LYS A 109 12.922 -9.459 -4.399 1.00 1.00 H new ATOM 0 HG2 LYS A 109 14.664 -10.725 -5.315 1.00 1.63 H new ATOM 0 HG3 LYS A 109 14.026 -10.624 -6.944 1.00 1.63 H new ATOM 0 HD2 LYS A 109 14.619 -7.995 -6.591 1.00 2.09 H new ATOM 0 HD3 LYS A 109 15.778 -8.671 -5.463 1.00 2.09 H new ATOM 0 HE2 LYS A 109 16.997 -9.759 -7.136 1.00 3.25 H new ATOM 0 HE3 LYS A 109 15.596 -9.991 -8.163 1.00 3.25 H new ATOM 0 HZ1 LYS A 109 16.953 -8.367 -9.177 1.00 3.98 H new ATOM 0 HZ2 LYS A 109 15.621 -7.530 -8.538 1.00 3.98 H new ATOM 0 HZ3 LYS A 109 17.119 -7.479 -7.740 1.00 3.98 H new ATOM 1714 N VAL A 110 9.999 -11.491 -4.651 1.00 0.93 N ATOM 1715 CA VAL A 110 8.753 -11.562 -3.884 1.00 0.86 C ATOM 1716 C VAL A 110 9.014 -11.578 -2.373 1.00 0.78 C ATOM 1717 O VAL A 110 9.955 -12.237 -1.925 1.00 0.84 O ATOM 1718 CB VAL A 110 7.858 -12.732 -4.356 1.00 0.95 C ATOM 1719 CG1 VAL A 110 8.473 -14.116 -4.083 1.00 2.01 C ATOM 1720 CG2 VAL A 110 6.448 -12.647 -3.757 1.00 2.16 C ATOM 0 H VAL A 110 10.415 -12.403 -4.837 1.00 0.93 H new ATOM 0 HA VAL A 110 8.191 -10.649 -4.083 1.00 0.86 H new ATOM 0 HB VAL A 110 7.785 -12.623 -5.438 1.00 0.95 H new ATOM 0 HG11 VAL A 110 7.795 -14.892 -4.438 1.00 2.01 H new ATOM 0 HG12 VAL A 110 9.426 -14.200 -4.605 1.00 2.01 H new ATOM 0 HG13 VAL A 110 8.634 -14.238 -3.012 1.00 2.01 H new ATOM 0 HG21 VAL A 110 5.850 -13.486 -4.113 1.00 2.16 H new ATOM 0 HG22 VAL A 110 6.512 -12.682 -2.669 1.00 2.16 H new ATOM 0 HG23 VAL A 110 5.979 -11.712 -4.063 1.00 2.16 H new ATOM 1730 N LEU A 111 8.197 -10.857 -1.591 1.00 0.72 N ATOM 1731 CA LEU A 111 8.313 -10.806 -0.127 1.00 0.74 C ATOM 1732 C LEU A 111 6.941 -10.884 0.548 1.00 0.65 C ATOM 1733 O LEU A 111 6.064 -10.057 0.314 1.00 0.88 O ATOM 1734 CB LEU A 111 9.075 -9.531 0.280 1.00 0.95 C ATOM 1735 CG LEU A 111 9.856 -9.599 1.608 1.00 1.11 C ATOM 1736 CD1 LEU A 111 9.013 -9.943 2.843 1.00 2.32 C ATOM 1737 CD2 LEU A 111 11.064 -10.540 1.510 1.00 2.58 C ATOM 0 H LEU A 111 7.433 -10.290 -1.959 1.00 0.72 H new ATOM 0 HA LEU A 111 8.875 -11.675 0.214 1.00 0.74 H new ATOM 0 HB2 LEU A 111 9.775 -9.281 -0.517 1.00 0.95 H new ATOM 0 HB3 LEU A 111 8.360 -8.711 0.345 1.00 0.95 H new ATOM 0 HG LEU A 111 10.202 -8.577 1.763 1.00 1.11 H new ATOM 0 HD11 LEU A 111 9.653 -9.967 3.725 1.00 2.32 H new ATOM 0 HD12 LEU A 111 8.238 -9.188 2.977 1.00 2.32 H new ATOM 0 HD13 LEU A 111 8.548 -10.919 2.706 1.00 2.32 H new ATOM 0 HD21 LEU A 111 11.588 -10.560 2.466 1.00 2.58 H new ATOM 0 HD22 LEU A 111 10.723 -11.545 1.262 1.00 2.58 H new ATOM 0 HD23 LEU A 111 11.740 -10.184 0.733 1.00 2.58 H new ATOM 1749 N LYS A 112 6.781 -11.874 1.425 1.00 0.80 N ATOM 1750 CA LYS A 112 5.528 -12.196 2.122 1.00 1.06 C ATOM 1751 C LYS A 112 5.411 -11.431 3.454 1.00 0.91 C ATOM 1752 O LYS A 112 6.291 -11.534 4.305 1.00 1.04 O ATOM 1753 CB LYS A 112 5.502 -13.721 2.365 1.00 1.70 C ATOM 1754 CG LYS A 112 4.256 -14.257 3.104 1.00 1.81 C ATOM 1755 CD LYS A 112 2.996 -14.372 2.233 1.00 1.50 C ATOM 1756 CE LYS A 112 3.123 -15.546 1.253 1.00 1.36 C ATOM 1757 NZ LYS A 112 1.942 -15.636 0.370 1.00 1.99 N ATOM 0 H LYS A 112 7.545 -12.499 1.682 1.00 0.80 H new ATOM 0 HA LYS A 112 4.679 -11.892 1.510 1.00 1.06 H new ATOM 0 HB2 LYS A 112 5.576 -14.226 1.402 1.00 1.70 H new ATOM 0 HB3 LYS A 112 6.388 -13.995 2.938 1.00 1.70 H new ATOM 0 HG2 LYS A 112 4.488 -15.239 3.515 1.00 1.81 H new ATOM 0 HG3 LYS A 112 4.040 -13.601 3.948 1.00 1.81 H new ATOM 0 HD2 LYS A 112 2.121 -14.513 2.867 1.00 1.50 H new ATOM 0 HD3 LYS A 112 2.843 -13.445 1.681 1.00 1.50 H new ATOM 0 HE2 LYS A 112 4.023 -15.424 0.650 1.00 1.36 H new ATOM 0 HE3 LYS A 112 3.236 -16.477 1.809 1.00 1.36 H new ATOM 0 HZ1 LYS A 112 2.133 -16.312 -0.397 1.00 1.99 H new ATOM 0 HZ2 LYS A 112 1.121 -15.960 0.920 1.00 1.99 H new ATOM 0 HZ3 LYS A 112 1.740 -14.700 -0.036 1.00 1.99 H new ATOM 1771 N VAL A 113 4.281 -10.759 3.688 1.00 0.86 N ATOM 1772 CA VAL A 113 3.892 -10.183 4.995 1.00 0.88 C ATOM 1773 C VAL A 113 2.404 -10.434 5.254 1.00 0.84 C ATOM 1774 O VAL A 113 1.613 -10.394 4.319 1.00 0.76 O ATOM 1775 CB VAL A 113 4.196 -8.662 5.107 1.00 0.97 C ATOM 1776 CG1 VAL A 113 5.660 -8.407 5.493 1.00 1.75 C ATOM 1777 CG2 VAL A 113 3.865 -7.882 3.825 1.00 1.82 C ATOM 0 H VAL A 113 3.587 -10.591 2.960 1.00 0.86 H new ATOM 0 HA VAL A 113 4.497 -10.684 5.751 1.00 0.88 H new ATOM 0 HB VAL A 113 3.541 -8.295 5.897 1.00 0.97 H new ATOM 0 HG11 VAL A 113 5.836 -7.334 5.562 1.00 1.75 H new ATOM 0 HG12 VAL A 113 5.868 -8.872 6.457 1.00 1.75 H new ATOM 0 HG13 VAL A 113 6.316 -8.834 4.735 1.00 1.75 H new ATOM 0 HG21 VAL A 113 4.100 -6.828 3.970 1.00 1.82 H new ATOM 0 HG22 VAL A 113 4.455 -8.275 2.997 1.00 1.82 H new ATOM 0 HG23 VAL A 113 2.804 -7.989 3.597 1.00 1.82 H new ATOM 1787 N VAL A 114 2.018 -10.686 6.509 1.00 1.11 N ATOM 1788 CA VAL A 114 0.614 -10.864 6.929 1.00 1.13 C ATOM 1789 C VAL A 114 0.187 -9.706 7.835 1.00 1.19 C ATOM 1790 O VAL A 114 0.954 -9.276 8.694 1.00 1.44 O ATOM 1791 CB VAL A 114 0.370 -12.247 7.578 1.00 1.47 C ATOM 1792 CG1 VAL A 114 1.158 -12.459 8.883 1.00 2.36 C ATOM 1793 CG2 VAL A 114 -1.127 -12.506 7.795 1.00 2.19 C ATOM 0 H VAL A 114 2.681 -10.775 7.279 1.00 1.11 H new ATOM 0 HA VAL A 114 -0.016 -10.843 6.040 1.00 1.13 H new ATOM 0 HB VAL A 114 0.751 -12.980 6.867 1.00 1.47 H new ATOM 0 HG11 VAL A 114 0.939 -13.449 9.283 1.00 2.36 H new ATOM 0 HG12 VAL A 114 2.226 -12.377 8.681 1.00 2.36 H new ATOM 0 HG13 VAL A 114 0.868 -11.701 9.611 1.00 2.36 H new ATOM 0 HG21 VAL A 114 -1.264 -13.486 8.252 1.00 2.19 H new ATOM 0 HG22 VAL A 114 -1.538 -11.739 8.451 1.00 2.19 H new ATOM 0 HG23 VAL A 114 -1.644 -12.478 6.836 1.00 2.19 H new ATOM 1803 N LEU A 115 -1.007 -9.156 7.586 1.00 1.05 N ATOM 1804 CA LEU A 115 -1.486 -7.894 8.157 1.00 1.06 C ATOM 1805 C LEU A 115 -2.969 -8.011 8.559 1.00 0.99 C ATOM 1806 O LEU A 115 -3.720 -8.709 7.869 1.00 1.02 O ATOM 1807 CB LEU A 115 -1.327 -6.748 7.128 1.00 1.11 C ATOM 1808 CG LEU A 115 0.048 -6.640 6.425 1.00 1.46 C ATOM 1809 CD1 LEU A 115 0.030 -7.350 5.063 1.00 2.77 C ATOM 1810 CD2 LEU A 115 0.440 -5.176 6.194 1.00 1.65 C ATOM 0 H LEU A 115 -1.687 -9.591 6.962 1.00 1.05 H new ATOM 0 HA LEU A 115 -0.891 -7.674 9.043 1.00 1.06 H new ATOM 0 HB2 LEU A 115 -2.094 -6.867 6.362 1.00 1.11 H new ATOM 0 HB3 LEU A 115 -1.527 -5.804 7.635 1.00 1.11 H new ATOM 0 HG LEU A 115 0.775 -7.117 7.083 1.00 1.46 H new ATOM 0 HD11 LEU A 115 1.009 -7.258 4.592 1.00 2.77 H new ATOM 0 HD12 LEU A 115 -0.207 -8.404 5.205 1.00 2.77 H new ATOM 0 HD13 LEU A 115 -0.725 -6.892 4.424 1.00 2.77 H new ATOM 0 HD21 LEU A 115 1.410 -5.133 5.699 1.00 1.65 H new ATOM 0 HD22 LEU A 115 -0.309 -4.693 5.567 1.00 1.65 H new ATOM 0 HD23 LEU A 115 0.498 -4.659 7.152 1.00 1.65 H new ATOM 1822 N PRO A 116 -3.431 -7.301 9.605 1.00 0.93 N ATOM 1823 CA PRO A 116 -4.851 -7.188 9.907 1.00 0.92 C ATOM 1824 C PRO A 116 -5.606 -6.405 8.826 1.00 1.01 C ATOM 1825 O PRO A 116 -5.057 -5.523 8.158 1.00 1.04 O ATOM 1826 CB PRO A 116 -4.931 -6.496 11.274 1.00 0.92 C ATOM 1827 CG PRO A 116 -3.641 -5.677 11.327 1.00 0.87 C ATOM 1828 CD PRO A 116 -2.646 -6.562 10.581 1.00 0.89 C ATOM 0 HA PRO A 116 -5.328 -8.168 9.931 1.00 0.92 H new ATOM 0 HB2 PRO A 116 -5.814 -5.862 11.353 1.00 0.92 H new ATOM 0 HB3 PRO A 116 -4.983 -7.218 12.089 1.00 0.92 H new ATOM 0 HG2 PRO A 116 -3.759 -4.706 10.846 1.00 0.87 H new ATOM 0 HG3 PRO A 116 -3.324 -5.488 12.353 1.00 0.87 H new ATOM 0 HD2 PRO A 116 -1.878 -5.962 10.092 1.00 0.89 H new ATOM 0 HD3 PRO A 116 -2.134 -7.239 11.265 1.00 0.89 H new ATOM 1836 N VAL A 117 -6.898 -6.713 8.704 1.00 1.15 N ATOM 1837 CA VAL A 117 -7.884 -5.910 7.972 1.00 1.25 C ATOM 1838 C VAL A 117 -8.555 -4.991 8.989 1.00 1.28 C ATOM 1839 O VAL A 117 -9.139 -5.500 9.941 1.00 1.34 O ATOM 1840 CB VAL A 117 -8.963 -6.788 7.303 1.00 1.28 C ATOM 1841 CG1 VAL A 117 -9.935 -5.930 6.474 1.00 1.40 C ATOM 1842 CG2 VAL A 117 -8.336 -7.839 6.372 1.00 1.29 C ATOM 0 H VAL A 117 -7.301 -7.551 9.123 1.00 1.15 H new ATOM 0 HA VAL A 117 -7.380 -5.355 7.181 1.00 1.25 H new ATOM 0 HB VAL A 117 -9.501 -7.289 8.108 1.00 1.28 H new ATOM 0 HG11 VAL A 117 -10.685 -6.573 6.013 1.00 1.40 H new ATOM 0 HG12 VAL A 117 -10.427 -5.206 7.124 1.00 1.40 H new ATOM 0 HG13 VAL A 117 -9.382 -5.402 5.697 1.00 1.40 H new ATOM 0 HG21 VAL A 117 -9.124 -8.439 5.918 1.00 1.29 H new ATOM 0 HG22 VAL A 117 -7.765 -7.338 5.590 1.00 1.29 H new ATOM 0 HG23 VAL A 117 -7.673 -8.486 6.947 1.00 1.29 H new ATOM 1852 N GLU A 118 -8.468 -3.672 8.787 1.00 1.32 N ATOM 1853 CA GLU A 118 -9.022 -2.686 9.706 1.00 1.32 C ATOM 1854 C GLU A 118 -9.388 -1.361 9.038 1.00 1.29 C ATOM 1855 O GLU A 118 -9.005 -1.055 7.906 1.00 1.52 O ATOM 1856 CB GLU A 118 -8.071 -2.432 10.904 1.00 1.58 C ATOM 1857 CG GLU A 118 -8.331 -3.335 12.116 1.00 2.48 C ATOM 1858 CD GLU A 118 -9.819 -3.449 12.455 1.00 3.91 C ATOM 1859 OE1 GLU A 118 -10.542 -2.431 12.309 1.00 4.16 O ATOM 1860 OE2 GLU A 118 -10.231 -4.584 12.773 1.00 5.35 O ATOM 0 H GLU A 118 -8.007 -3.261 7.975 1.00 1.32 H new ATOM 0 HA GLU A 118 -9.952 -3.123 10.070 1.00 1.32 H new ATOM 0 HB2 GLU A 118 -7.042 -2.574 10.573 1.00 1.58 H new ATOM 0 HB3 GLU A 118 -8.165 -1.391 11.214 1.00 1.58 H new ATOM 0 HG2 GLU A 118 -7.930 -4.329 11.917 1.00 2.48 H new ATOM 0 HG3 GLU A 118 -7.794 -2.942 12.979 1.00 2.48 H new ATOM 1867 N ALA A 119 -10.159 -0.563 9.770 1.00 1.36 N ATOM 1868 CA ALA A 119 -10.632 0.745 9.329 1.00 1.68 C ATOM 1869 C ALA A 119 -9.578 1.866 9.457 1.00 2.32 C ATOM 1870 O ALA A 119 -8.671 1.823 10.284 1.00 3.27 O ATOM 1871 CB ALA A 119 -11.911 1.069 10.112 1.00 1.89 C ATOM 0 H ALA A 119 -10.479 -0.813 10.706 1.00 1.36 H new ATOM 0 HA ALA A 119 -10.839 0.696 8.260 1.00 1.68 H new ATOM 0 HB1 ALA A 119 -12.289 2.044 9.803 1.00 1.89 H new ATOM 0 HB2 ALA A 119 -12.664 0.307 9.911 1.00 1.89 H new ATOM 0 HB3 ALA A 119 -11.690 1.087 11.179 1.00 1.89 H new ATOM 1877 N ARG A 120 -9.777 2.894 8.622 1.00 2.27 N ATOM 1878 CA ARG A 120 -9.336 4.295 8.687 1.00 2.72 C ATOM 1879 C ARG A 120 -9.960 5.028 7.491 1.00 2.89 C ATOM 1880 O ARG A 120 -9.673 6.232 7.308 1.00 3.83 O ATOM 1881 CB ARG A 120 -7.799 4.431 8.791 1.00 3.77 C ATOM 1882 CG ARG A 120 -7.035 4.040 7.506 1.00 4.82 C ATOM 1883 CD ARG A 120 -6.197 5.196 6.937 1.00 6.02 C ATOM 1884 NE ARG A 120 -7.048 6.362 6.684 1.00 6.22 N ATOM 1885 CZ ARG A 120 -6.848 7.605 7.048 1.00 6.94 C ATOM 1886 NH1 ARG A 120 -5.674 8.163 7.135 1.00 7.85 N ATOM 1887 NH2 ARG A 120 -7.901 8.306 7.330 1.00 7.28 N ATOM 1888 OXT ARG A 120 -10.601 4.337 6.668 1.00 3.25 O ATOM 0 H ARG A 120 -10.323 2.743 7.774 1.00 2.27 H new ATOM 0 HA ARG A 120 -9.685 4.766 9.606 1.00 2.72 H new ATOM 0 HB2 ARG A 120 -7.554 5.462 9.045 1.00 3.77 H new ATOM 0 HB3 ARG A 120 -7.446 3.808 9.613 1.00 3.77 H new ATOM 0 HG2 ARG A 120 -6.381 3.194 7.720 1.00 4.82 H new ATOM 0 HG3 ARG A 120 -7.748 3.708 6.751 1.00 4.82 H new ATOM 0 HD2 ARG A 120 -5.405 5.460 7.638 1.00 6.02 H new ATOM 0 HD3 ARG A 120 -5.713 4.883 6.012 1.00 6.02 H new ATOM 0 HE ARG A 120 -7.904 6.184 6.158 1.00 6.22 H new ATOM 0 HH11 ARG A 120 -4.836 7.626 6.912 1.00 7.85 H new ATOM 0 HH12 ARG A 120 -5.593 9.137 7.426 1.00 7.85 H new ATOM 0 HH21 ARG A 120 -8.827 7.884 7.263 1.00 7.28 H new ATOM 0 HH22 ARG A 120 -7.803 9.279 7.619 1.00 7.28 H new