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= -1.68 K(o=-0.73,f=-2.3!) USER MOD Set 1.2: A 48 THR OG1 : rot 101:sc= 0.0415 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.908 K(o=-0.73,f=-4.6!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0997 USER MOD Single : A 15 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.1!) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.405 K(o=0.41,f=-4.2!) USER MOD Single : A 37 THR OG1 : rot 88:sc= 0.519 USER MOD Single : A 50 MET CE :methyl -173:sc= 0 (180deg=-0.0645) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= 2 (180deg=0.431) USER MOD Single : A 57 LYS NZ :NH3+ 149:sc= -0.108 (180deg=-0.507) USER MOD Single : A 59 MET CE :methyl -160:sc= 0 (180deg=-0.814) USER MOD Single : A 61 MET CE :methyl -171:sc= -0.0312 (180deg=-0.196) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= -0.745 (180deg=-0.826) USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= 1.25 (180deg=0.831) USER MOD Single : A 82 TYR OH : rot -47:sc= 0.858 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -166:sc= 1.26 (180deg=1.17) USER MOD Single : A 94 LYS NZ :NH3+ -172:sc= 1.19 (180deg=0.764) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 154:sc= 0.63! (180deg=0.066!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 4.140 -1.519 11.226 1.00 1.62 N ATOM 56 CA GLU A 5 3.729 -2.476 10.200 1.00 1.23 C ATOM 57 C GLU A 5 2.546 -1.937 9.374 1.00 1.04 C ATOM 58 O GLU A 5 2.154 -0.777 9.483 1.00 1.33 O ATOM 59 CB GLU A 5 3.408 -3.845 10.843 1.00 2.29 C ATOM 60 CG GLU A 5 4.580 -4.490 11.603 1.00 3.15 C ATOM 61 CD GLU A 5 4.967 -3.719 12.863 1.00 3.69 C ATOM 62 OE1 GLU A 5 4.067 -3.371 13.656 1.00 4.23 O ATOM 63 OE2 GLU A 5 6.138 -3.297 12.983 1.00 4.45 O ATOM 0 HA GLU A 5 4.558 -2.618 9.506 1.00 1.23 H new ATOM 0 HB2 GLU A 5 2.572 -3.721 11.531 1.00 2.29 H new ATOM 0 HB3 GLU A 5 3.079 -4.530 10.061 1.00 2.29 H new ATOM 0 HG2 GLU A 5 4.312 -5.511 11.876 1.00 3.15 H new ATOM 0 HG3 GLU A 5 5.444 -4.553 10.942 1.00 3.15 H new ATOM 70 N GLY A 6 2.009 -2.781 8.489 1.00 1.24 N ATOM 71 CA GLY A 6 0.875 -2.428 7.645 1.00 1.19 C ATOM 72 C GLY A 6 -0.482 -2.687 8.279 1.00 0.82 C ATOM 73 O GLY A 6 -0.597 -3.380 9.287 1.00 0.82 O ATOM 0 H GLY A 6 2.353 -3.730 8.341 1.00 1.24 H new ATOM 0 HA2 GLY A 6 0.946 -1.372 7.385 1.00 1.19 H new ATOM 0 HA3 GLY A 6 0.941 -2.991 6.714 1.00 1.19 H new ATOM 77 N TRP A 7 -1.515 -2.211 7.584 1.00 0.75 N ATOM 78 CA TRP A 7 -2.909 -2.574 7.822 1.00 0.62 C ATOM 79 C TRP A 7 -3.741 -2.443 6.535 1.00 0.53 C ATOM 80 O TRP A 7 -3.502 -1.558 5.709 1.00 0.52 O ATOM 81 CB TRP A 7 -3.489 -1.764 8.986 1.00 0.75 C ATOM 82 CG TRP A 7 -3.746 -0.313 8.738 1.00 0.77 C ATOM 83 CD1 TRP A 7 -4.961 0.218 8.481 1.00 0.80 C ATOM 84 CD2 TRP A 7 -2.817 0.815 8.784 1.00 1.08 C ATOM 85 NE1 TRP A 7 -4.872 1.592 8.454 1.00 1.09 N ATOM 86 CE2 TRP A 7 -3.573 2.016 8.630 1.00 1.28 C ATOM 87 CE3 TRP A 7 -1.423 0.956 8.963 1.00 1.36 C ATOM 88 CZ2 TRP A 7 -2.981 3.287 8.683 1.00 1.71 C ATOM 89 CZ3 TRP A 7 -0.812 2.225 8.971 1.00 1.76 C ATOM 90 CH2 TRP A 7 -1.587 3.391 8.840 1.00 1.93 C ATOM 0 H TRP A 7 -1.401 -1.545 6.820 1.00 0.75 H new ATOM 0 HA TRP A 7 -2.952 -3.623 8.114 1.00 0.62 H new ATOM 0 HB2 TRP A 7 -4.428 -2.228 9.288 1.00 0.75 H new ATOM 0 HB3 TRP A 7 -2.806 -1.848 9.831 1.00 0.75 H new ATOM 0 HD1 TRP A 7 -5.866 -0.349 8.321 1.00 0.80 H new ATOM 0 HE1 TRP A 7 -5.667 2.217 8.321 1.00 1.09 H new ATOM 0 HE3 TRP A 7 -0.814 0.074 9.096 1.00 1.36 H new ATOM 0 HZ2 TRP A 7 -3.589 4.176 8.604 1.00 1.71 H new ATOM 0 HZ3 TRP A 7 0.260 2.303 9.079 1.00 1.76 H new ATOM 0 HH2 TRP A 7 -1.114 4.362 8.860 1.00 1.93 H new ATOM 101 N VAL A 8 -4.711 -3.337 6.344 1.00 0.71 N ATOM 102 CA VAL A 8 -5.652 -3.278 5.216 1.00 0.78 C ATOM 103 C VAL A 8 -6.841 -2.426 5.650 1.00 0.80 C ATOM 104 O VAL A 8 -7.350 -2.573 6.760 1.00 0.81 O ATOM 105 CB VAL A 8 -6.064 -4.686 4.728 1.00 0.87 C ATOM 106 CG1 VAL A 8 -7.222 -4.645 3.715 1.00 1.08 C ATOM 107 CG2 VAL A 8 -4.856 -5.374 4.071 1.00 0.89 C ATOM 0 H VAL A 8 -4.870 -4.128 6.968 1.00 0.71 H new ATOM 0 HA VAL A 8 -5.175 -2.817 4.351 1.00 0.78 H new ATOM 0 HB VAL A 8 -6.404 -5.242 5.602 1.00 0.87 H new ATOM 0 HG11 VAL A 8 -7.471 -5.660 3.406 1.00 1.08 H new ATOM 0 HG12 VAL A 8 -8.094 -4.183 4.178 1.00 1.08 H new ATOM 0 HG13 VAL A 8 -6.922 -4.063 2.843 1.00 1.08 H new ATOM 0 HG21 VAL A 8 -5.146 -6.367 3.727 1.00 0.89 H new ATOM 0 HG22 VAL A 8 -4.516 -4.780 3.222 1.00 0.89 H new ATOM 0 HG23 VAL A 8 -4.048 -5.463 4.798 1.00 0.89 H new ATOM 117 N ARG A 9 -7.254 -1.493 4.788 1.00 0.82 N ATOM 118 CA ARG A 9 -8.266 -0.488 5.120 1.00 0.88 C ATOM 119 C ARG A 9 -9.652 -0.996 4.705 1.00 0.93 C ATOM 120 O ARG A 9 -9.927 -1.147 3.516 1.00 1.88 O ATOM 121 CB ARG A 9 -7.882 0.834 4.433 1.00 1.14 C ATOM 122 CG ARG A 9 -8.400 2.096 5.131 1.00 1.64 C ATOM 123 CD ARG A 9 -9.906 2.327 4.963 1.00 1.90 C ATOM 124 NE ARG A 9 -10.291 3.663 5.450 1.00 2.28 N ATOM 125 CZ ARG A 9 -10.101 4.830 4.850 1.00 2.93 C ATOM 126 NH1 ARG A 9 -9.495 4.942 3.682 1.00 3.76 N ATOM 127 NH2 ARG A 9 -10.554 5.908 5.438 1.00 3.71 N ATOM 0 H ARG A 9 -6.894 -1.414 3.837 1.00 0.82 H new ATOM 0 HA ARG A 9 -8.308 -0.308 6.194 1.00 0.88 H new ATOM 0 HB2 ARG A 9 -6.795 0.891 4.369 1.00 1.14 H new ATOM 0 HB3 ARG A 9 -8.261 0.820 3.411 1.00 1.14 H new ATOM 0 HG2 ARG A 9 -8.169 2.032 6.194 1.00 1.64 H new ATOM 0 HG3 ARG A 9 -7.864 2.961 4.740 1.00 1.64 H new ATOM 0 HD2 ARG A 9 -10.178 2.226 3.912 1.00 1.90 H new ATOM 0 HD3 ARG A 9 -10.458 1.563 5.510 1.00 1.90 H new ATOM 0 HE ARG A 9 -10.759 3.694 6.356 1.00 2.28 H new ATOM 0 HH11 ARG A 9 -9.151 4.109 3.204 1.00 3.76 H new ATOM 0 HH12 ARG A 9 -9.371 5.861 3.258 1.00 3.76 H new ATOM 0 HH21 ARG A 9 -11.038 5.836 6.333 1.00 3.71 H new ATOM 0 HH22 ARG A 9 -10.423 6.820 5.001 1.00 3.71 H new ATOM 141 N PHE A 10 -10.529 -1.213 5.686 1.00 0.69 N ATOM 142 CA PHE A 10 -11.895 -1.697 5.495 1.00 0.66 C ATOM 143 C PHE A 10 -12.775 -0.736 4.679 1.00 0.89 C ATOM 144 O PHE A 10 -12.644 0.486 4.757 1.00 1.25 O ATOM 145 CB PHE A 10 -12.516 -1.935 6.879 1.00 0.82 C ATOM 146 CG PHE A 10 -14.005 -2.196 6.857 1.00 0.99 C ATOM 147 CD1 PHE A 10 -14.484 -3.467 6.504 1.00 1.91 C ATOM 148 CD2 PHE A 10 -14.908 -1.138 7.061 1.00 1.55 C ATOM 149 CE1 PHE A 10 -15.866 -3.694 6.403 1.00 2.16 C ATOM 150 CE2 PHE A 10 -16.286 -1.347 6.881 1.00 1.66 C ATOM 151 CZ PHE A 10 -16.770 -2.628 6.575 1.00 1.54 C ATOM 0 H PHE A 10 -10.300 -1.051 6.667 1.00 0.69 H new ATOM 0 HA PHE A 10 -11.846 -2.620 4.917 1.00 0.66 H new ATOM 0 HB2 PHE A 10 -12.017 -2.784 7.347 1.00 0.82 H new ATOM 0 HB3 PHE A 10 -12.321 -1.065 7.506 1.00 0.82 H new ATOM 0 HD1 PHE A 10 -13.789 -4.271 6.310 1.00 1.91 H new ATOM 0 HD2 PHE A 10 -14.543 -0.165 7.356 1.00 1.55 H new ATOM 0 HE1 PHE A 10 -16.236 -4.687 6.193 1.00 2.16 H new ATOM 0 HE2 PHE A 10 -16.974 -0.520 6.978 1.00 1.66 H new ATOM 0 HZ PHE A 10 -17.832 -2.796 6.472 1.00 1.54 H new ATOM 161 N SER A 11 -13.758 -1.307 3.986 1.00 0.98 N ATOM 162 CA SER A 11 -14.903 -0.619 3.393 1.00 1.31 C ATOM 163 C SER A 11 -16.017 -1.632 3.055 1.00 1.41 C ATOM 164 O SER A 11 -15.703 -2.788 2.773 1.00 1.51 O ATOM 165 CB SER A 11 -14.449 0.101 2.115 1.00 1.72 C ATOM 166 OG SER A 11 -15.497 0.852 1.532 1.00 2.48 O ATOM 0 H SER A 11 -13.779 -2.312 3.814 1.00 0.98 H new ATOM 0 HA SER A 11 -15.297 0.107 4.105 1.00 1.31 H new ATOM 0 HB2 SER A 11 -13.614 0.762 2.348 1.00 1.72 H new ATOM 0 HB3 SER A 11 -14.084 -0.632 1.396 1.00 1.72 H new ATOM 0 HG SER A 11 -15.170 1.297 0.722 1.00 2.48 H new ATOM 172 N PRO A 12 -17.306 -1.230 3.058 1.00 1.57 N ATOM 173 CA PRO A 12 -18.388 -2.032 2.485 1.00 1.76 C ATOM 174 C PRO A 12 -18.397 -2.002 0.947 1.00 1.79 C ATOM 175 O PRO A 12 -19.085 -2.813 0.329 1.00 2.00 O ATOM 176 CB PRO A 12 -19.672 -1.431 3.067 1.00 1.99 C ATOM 177 CG PRO A 12 -19.316 0.046 3.229 1.00 1.99 C ATOM 178 CD PRO A 12 -17.842 0.001 3.628 1.00 1.76 C ATOM 0 HA PRO A 12 -18.273 -3.086 2.736 1.00 1.76 H new ATOM 0 HB2 PRO A 12 -20.522 -1.571 2.399 1.00 1.99 H new ATOM 0 HB3 PRO A 12 -19.937 -1.889 4.020 1.00 1.99 H new ATOM 0 HG2 PRO A 12 -19.467 0.602 2.304 1.00 1.99 H new ATOM 0 HG3 PRO A 12 -19.927 0.527 3.993 1.00 1.99 H new ATOM 0 HD2 PRO A 12 -17.308 0.872 3.247 1.00 1.76 H new ATOM 0 HD3 PRO A 12 -17.731 0.009 4.712 1.00 1.76 H new ATOM 186 N GLY A 13 -17.641 -1.089 0.318 1.00 1.99 N ATOM 187 CA GLY A 13 -17.380 -1.105 -1.123 1.00 1.90 C ATOM 188 C GLY A 13 -16.209 -2.050 -1.438 1.00 1.87 C ATOM 189 O GLY A 13 -15.222 -2.024 -0.706 1.00 2.51 O ATOM 0 H GLY A 13 -17.191 -0.313 0.803 1.00 1.99 H new ATOM 0 HA2 GLY A 13 -18.273 -1.429 -1.658 1.00 1.90 H new ATOM 0 HA3 GLY A 13 -17.148 -0.098 -1.470 1.00 1.90 H new ATOM 193 N PRO A 14 -16.272 -2.858 -2.516 1.00 1.47 N ATOM 194 CA PRO A 14 -15.345 -3.969 -2.736 1.00 1.87 C ATOM 195 C PRO A 14 -13.917 -3.552 -3.104 1.00 1.51 C ATOM 196 O PRO A 14 -12.985 -4.300 -2.826 1.00 2.13 O ATOM 197 CB PRO A 14 -15.976 -4.818 -3.845 1.00 2.21 C ATOM 198 CG PRO A 14 -16.840 -3.820 -4.613 1.00 1.77 C ATOM 199 CD PRO A 14 -17.335 -2.888 -3.509 1.00 1.27 C ATOM 0 HA PRO A 14 -15.215 -4.517 -1.803 1.00 1.87 H new ATOM 0 HB2 PRO A 14 -15.218 -5.268 -4.486 1.00 2.21 H new ATOM 0 HB3 PRO A 14 -16.573 -5.633 -3.436 1.00 2.21 H new ATOM 0 HG2 PRO A 14 -16.266 -3.284 -5.369 1.00 1.77 H new ATOM 0 HG3 PRO A 14 -17.665 -4.311 -5.129 1.00 1.77 H new ATOM 0 HD2 PRO A 14 -17.535 -1.890 -3.899 1.00 1.27 H new ATOM 0 HD3 PRO A 14 -18.266 -3.254 -3.076 1.00 1.27 H new ATOM 207 N ASN A 15 -13.699 -2.385 -3.717 1.00 0.78 N ATOM 208 CA ASN A 15 -12.351 -1.876 -3.922 1.00 0.63 C ATOM 209 C ASN A 15 -11.852 -1.129 -2.672 1.00 0.81 C ATOM 210 O ASN A 15 -12.559 -0.330 -2.055 1.00 1.32 O ATOM 211 CB ASN A 15 -12.323 -0.972 -5.149 1.00 0.84 C ATOM 212 CG ASN A 15 -12.717 -1.671 -6.452 1.00 2.58 C ATOM 213 OD1 ASN A 15 -12.415 -2.831 -6.703 1.00 4.44 O ATOM 214 ND2 ASN A 15 -13.401 -0.973 -7.342 1.00 2.70 N ATOM 0 H ASN A 15 -14.439 -1.781 -4.076 1.00 0.78 H new ATOM 0 HA ASN A 15 -11.678 -2.716 -4.093 1.00 0.63 H new ATOM 0 HB2 ASN A 15 -12.997 -0.131 -4.983 1.00 0.84 H new ATOM 0 HB3 ASN A 15 -11.320 -0.560 -5.260 1.00 0.84 H new ATOM 0 HD21 ASN A 15 -13.672 -1.401 -8.227 1.00 2.70 H new ATOM 0 HD22 ASN A 15 -13.658 -0.006 -7.144 1.00 2.70 H new ATOM 221 N ALA A 16 -10.587 -1.366 -2.346 1.00 0.57 N ATOM 222 CA ALA A 16 -9.945 -1.021 -1.074 1.00 0.55 C ATOM 223 C ALA A 16 -8.603 -0.287 -1.279 1.00 0.54 C ATOM 224 O ALA A 16 -8.215 0.030 -2.405 1.00 0.57 O ATOM 225 CB ALA A 16 -9.825 -2.309 -0.239 1.00 0.60 C ATOM 0 H ALA A 16 -9.945 -1.827 -2.991 1.00 0.57 H new ATOM 0 HA ALA A 16 -10.556 -0.306 -0.524 1.00 0.55 H new ATOM 0 HB1 ALA A 16 -9.350 -2.081 0.715 1.00 0.60 H new ATOM 0 HB2 ALA A 16 -10.818 -2.721 -0.060 1.00 0.60 H new ATOM 0 HB3 ALA A 16 -9.222 -3.038 -0.780 1.00 0.60 H new ATOM 231 N ALA A 17 -7.895 0.010 -0.188 1.00 0.56 N ATOM 232 CA ALA A 17 -6.561 0.618 -0.193 1.00 0.56 C ATOM 233 C ALA A 17 -5.719 0.032 0.955 1.00 0.61 C ATOM 234 O ALA A 17 -6.276 -0.322 1.995 1.00 0.70 O ATOM 235 CB ALA A 17 -6.714 2.138 -0.066 1.00 0.60 C ATOM 0 H ALA A 17 -8.244 -0.171 0.753 1.00 0.56 H new ATOM 0 HA ALA A 17 -6.042 0.398 -1.126 1.00 0.56 H new ATOM 0 HB1 ALA A 17 -5.729 2.604 -0.068 1.00 0.60 H new ATOM 0 HB2 ALA A 17 -7.297 2.516 -0.906 1.00 0.60 H new ATOM 0 HB3 ALA A 17 -7.226 2.376 0.867 1.00 0.60 H new ATOM 241 N ALA A 18 -4.396 -0.064 0.801 1.00 0.61 N ATOM 242 CA ALA A 18 -3.523 -0.700 1.793 1.00 0.61 C ATOM 243 C ALA A 18 -2.201 0.047 2.018 1.00 0.60 C ATOM 244 O ALA A 18 -1.673 0.731 1.137 1.00 0.61 O ATOM 245 CB ALA A 18 -3.275 -2.160 1.390 1.00 0.60 C ATOM 0 H ALA A 18 -3.899 0.296 -0.014 1.00 0.61 H new ATOM 0 HA ALA A 18 -4.040 -0.663 2.752 1.00 0.61 H new ATOM 0 HB1 ALA A 18 -2.626 -2.635 2.126 1.00 0.60 H new ATOM 0 HB2 ALA A 18 -4.225 -2.692 1.347 1.00 0.60 H new ATOM 0 HB3 ALA A 18 -2.797 -2.191 0.411 1.00 0.60 H new ATOM 251 N TYR A 19 -1.680 -0.135 3.228 1.00 0.72 N ATOM 252 CA TYR A 19 -0.426 0.412 3.737 1.00 0.94 C ATOM 253 C TYR A 19 0.394 -0.731 4.352 1.00 1.02 C ATOM 254 O TYR A 19 -0.182 -1.620 4.978 1.00 1.61 O ATOM 255 CB TYR A 19 -0.728 1.486 4.801 1.00 1.18 C ATOM 256 CG TYR A 19 -1.991 2.290 4.542 1.00 1.11 C ATOM 257 CD1 TYR A 19 -2.021 3.264 3.526 1.00 2.07 C ATOM 258 CD2 TYR A 19 -3.167 1.979 5.249 1.00 2.18 C ATOM 259 CE1 TYR A 19 -3.232 3.903 3.206 1.00 2.01 C ATOM 260 CE2 TYR A 19 -4.374 2.633 4.948 1.00 2.55 C ATOM 261 CZ TYR A 19 -4.411 3.586 3.910 1.00 1.65 C ATOM 262 OH TYR A 19 -5.578 4.201 3.580 1.00 2.08 O ATOM 0 H TYR A 19 -2.155 -0.707 3.926 1.00 0.72 H new ATOM 0 HA TYR A 19 0.142 0.872 2.928 1.00 0.94 H new ATOM 0 HB2 TYR A 19 -0.813 1.002 5.774 1.00 1.18 H new ATOM 0 HB3 TYR A 19 0.118 2.171 4.859 1.00 1.18 H new ATOM 0 HD1 TYR A 19 -1.117 3.520 2.994 1.00 2.07 H new ATOM 0 HD2 TYR A 19 -3.142 1.232 6.029 1.00 2.18 H new ATOM 0 HE1 TYR A 19 -3.259 4.640 2.417 1.00 2.01 H new ATOM 0 HE2 TYR A 19 -5.269 2.407 5.509 1.00 2.55 H new ATOM 0 HH TYR A 19 -5.570 4.427 2.627 1.00 2.08 H new ATOM 272 N LEU A 20 1.721 -0.702 4.203 1.00 1.17 N ATOM 273 CA LEU A 20 2.655 -1.719 4.696 1.00 1.19 C ATOM 274 C LEU A 20 4.097 -1.222 4.676 1.00 1.32 C ATOM 275 O LEU A 20 4.392 -0.148 4.138 1.00 1.20 O ATOM 276 CB LEU A 20 2.439 -3.106 4.032 1.00 1.15 C ATOM 277 CG LEU A 20 2.675 -3.300 2.518 1.00 1.22 C ATOM 278 CD1 LEU A 20 1.780 -2.411 1.646 1.00 2.52 C ATOM 279 CD2 LEU A 20 4.141 -3.132 2.098 1.00 2.21 C ATOM 0 H LEU A 20 2.193 0.060 3.717 1.00 1.17 H new ATOM 0 HA LEU A 20 2.426 -1.890 5.748 1.00 1.19 H new ATOM 0 HB2 LEU A 20 3.085 -3.814 4.551 1.00 1.15 H new ATOM 0 HB3 LEU A 20 1.411 -3.403 4.237 1.00 1.15 H new ATOM 0 HG LEU A 20 2.396 -4.339 2.342 1.00 1.22 H new ATOM 0 HD11 LEU A 20 1.997 -2.597 0.594 1.00 2.52 H new ATOM 0 HD12 LEU A 20 0.733 -2.640 1.847 1.00 2.52 H new ATOM 0 HD13 LEU A 20 1.973 -1.363 1.876 1.00 2.52 H new ATOM 0 HD21 LEU A 20 4.231 -3.282 1.022 1.00 2.21 H new ATOM 0 HD22 LEU A 20 4.480 -2.128 2.354 1.00 2.21 H new ATOM 0 HD23 LEU A 20 4.755 -3.866 2.619 1.00 2.21 H new ATOM 291 N THR A 21 4.976 -2.013 5.292 1.00 1.63 N ATOM 292 CA THR A 21 6.337 -1.621 5.639 1.00 1.61 C ATOM 293 C THR A 21 7.345 -2.389 4.822 1.00 1.76 C ATOM 294 O THR A 21 7.312 -3.614 4.737 1.00 2.00 O ATOM 295 CB THR A 21 6.540 -1.787 7.143 1.00 1.71 C ATOM 296 OG1 THR A 21 5.705 -0.789 7.662 1.00 1.85 O ATOM 297 CG2 THR A 21 7.988 -1.571 7.598 1.00 2.18 C ATOM 0 H THR A 21 4.752 -2.969 5.570 1.00 1.63 H new ATOM 0 HA THR A 21 6.493 -0.570 5.396 1.00 1.61 H new ATOM 0 HB THR A 21 6.313 -2.799 7.478 1.00 1.71 H new ATOM 0 HG1 THR A 21 5.752 -0.800 8.641 1.00 1.85 H new ATOM 0 HG21 THR A 21 8.054 -1.705 8.678 1.00 2.18 H new ATOM 0 HG22 THR A 21 8.637 -2.293 7.102 1.00 2.18 H new ATOM 0 HG23 THR A 21 8.304 -0.561 7.338 1.00 2.18 H new ATOM 305 N LEU A 22 8.268 -1.628 4.244 1.00 1.75 N ATOM 306 CA LEU A 22 9.483 -2.112 3.612 1.00 1.99 C ATOM 307 C LEU A 22 10.653 -1.745 4.514 1.00 1.58 C ATOM 308 O LEU A 22 10.898 -0.564 4.762 1.00 1.53 O ATOM 309 CB LEU A 22 9.680 -1.435 2.241 1.00 2.42 C ATOM 310 CG LEU A 22 8.898 -2.019 1.056 1.00 2.64 C ATOM 311 CD1 LEU A 22 9.461 -3.396 0.716 1.00 3.10 C ATOM 312 CD2 LEU A 22 7.383 -2.086 1.288 1.00 2.87 C ATOM 0 H LEU A 22 8.183 -0.612 4.203 1.00 1.75 H new ATOM 0 HA LEU A 22 9.419 -3.190 3.465 1.00 1.99 H new ATOM 0 HB2 LEU A 22 9.409 -0.384 2.340 1.00 2.42 H new ATOM 0 HB3 LEU A 22 10.742 -1.469 1.996 1.00 2.42 H new ATOM 0 HG LEU A 22 9.029 -1.339 0.214 1.00 2.64 H new ATOM 0 HD11 LEU A 22 8.910 -3.817 -0.125 1.00 3.10 H new ATOM 0 HD12 LEU A 22 10.514 -3.303 0.450 1.00 3.10 H new ATOM 0 HD13 LEU A 22 9.362 -4.053 1.580 1.00 3.10 H new ATOM 0 HD21 LEU A 22 6.899 -2.509 0.408 1.00 2.87 H new ATOM 0 HD22 LEU A 22 7.175 -2.714 2.154 1.00 2.87 H new ATOM 0 HD23 LEU A 22 6.998 -1.082 1.467 1.00 2.87 H new ATOM 324 N GLU A 23 11.416 -2.749 4.922 1.00 1.45 N ATOM 325 CA GLU A 23 12.765 -2.589 5.444 1.00 1.30 C ATOM 326 C GLU A 23 13.670 -3.521 4.637 1.00 1.31 C ATOM 327 O GLU A 23 13.295 -4.659 4.358 1.00 1.51 O ATOM 328 CB GLU A 23 12.762 -2.890 6.949 1.00 1.38 C ATOM 329 CG GLU A 23 14.107 -2.617 7.635 1.00 3.15 C ATOM 330 CD GLU A 23 13.862 -2.173 9.074 1.00 3.48 C ATOM 331 OE1 GLU A 23 13.294 -2.966 9.857 1.00 3.33 O ATOM 332 OE2 GLU A 23 14.081 -0.979 9.368 1.00 4.58 O ATOM 0 H GLU A 23 11.106 -3.721 4.899 1.00 1.45 H new ATOM 0 HA GLU A 23 13.140 -1.571 5.339 1.00 1.30 H new ATOM 0 HB2 GLU A 23 11.990 -2.288 7.429 1.00 1.38 H new ATOM 0 HB3 GLU A 23 12.492 -3.935 7.101 1.00 1.38 H new ATOM 0 HG2 GLU A 23 14.724 -3.515 7.620 1.00 3.15 H new ATOM 0 HG3 GLU A 23 14.654 -1.846 7.093 1.00 3.15 H new ATOM 339 N ASN A 24 14.820 -3.016 4.198 1.00 1.30 N ATOM 340 CA ASN A 24 15.764 -3.745 3.353 1.00 1.31 C ATOM 341 C ASN A 24 16.846 -4.429 4.216 1.00 1.43 C ATOM 342 O ASN A 24 17.759 -3.748 4.692 1.00 1.58 O ATOM 343 CB ASN A 24 16.389 -2.745 2.371 1.00 1.47 C ATOM 344 CG ASN A 24 17.188 -3.431 1.270 1.00 1.54 C ATOM 345 OD1 ASN A 24 17.449 -4.629 1.303 1.00 2.01 O ATOM 346 ND2 ASN A 24 17.570 -2.692 0.252 1.00 1.43 N ATOM 0 H ASN A 24 15.128 -2.070 4.424 1.00 1.30 H new ATOM 0 HA ASN A 24 15.250 -4.531 2.800 1.00 1.31 H new ATOM 0 HB2 ASN A 24 15.601 -2.141 1.921 1.00 1.47 H new ATOM 0 HB3 ASN A 24 17.040 -2.063 2.917 1.00 1.47 H new ATOM 0 HD21 ASN A 24 18.088 -3.114 -0.519 1.00 1.43 H new ATOM 0 HD22 ASN A 24 17.349 -1.697 0.233 1.00 1.43 H new ATOM 353 N PRO A 25 16.804 -5.760 4.407 1.00 1.46 N ATOM 354 CA PRO A 25 17.836 -6.480 5.151 1.00 1.64 C ATOM 355 C PRO A 25 19.118 -6.722 4.339 1.00 1.74 C ATOM 356 O PRO A 25 20.126 -7.119 4.921 1.00 1.92 O ATOM 357 CB PRO A 25 17.176 -7.810 5.527 1.00 1.68 C ATOM 358 CG PRO A 25 16.239 -8.063 4.346 1.00 1.57 C ATOM 359 CD PRO A 25 15.724 -6.664 4.039 1.00 1.42 C ATOM 0 HA PRO A 25 18.165 -5.900 6.013 1.00 1.64 H new ATOM 0 HB2 PRO A 25 17.909 -8.608 5.641 1.00 1.68 H new ATOM 0 HB3 PRO A 25 16.632 -7.740 6.469 1.00 1.68 H new ATOM 0 HG2 PRO A 25 16.764 -8.499 3.496 1.00 1.57 H new ATOM 0 HG3 PRO A 25 15.431 -8.746 4.607 1.00 1.57 H new ATOM 0 HD2 PRO A 25 15.470 -6.562 2.984 1.00 1.42 H new ATOM 0 HD3 PRO A 25 14.820 -6.446 4.607 1.00 1.42 H new ATOM 367 N GLY A 26 19.107 -6.498 3.014 1.00 1.65 N ATOM 368 CA GLY A 26 20.257 -6.700 2.145 1.00 1.76 C ATOM 369 C GLY A 26 21.199 -5.505 2.168 1.00 1.62 C ATOM 370 O GLY A 26 20.987 -4.517 2.867 1.00 1.69 O ATOM 0 H GLY A 26 18.280 -6.166 2.518 1.00 1.65 H new ATOM 0 HA2 GLY A 26 20.796 -7.594 2.458 1.00 1.76 H new ATOM 0 HA3 GLY A 26 19.916 -6.874 1.125 1.00 1.76 H new ATOM 374 N ASP A 27 22.285 -5.639 1.426 1.00 1.66 N ATOM 375 CA ASP A 27 23.422 -4.723 1.366 1.00 1.74 C ATOM 376 C ASP A 27 23.447 -3.931 0.047 1.00 1.64 C ATOM 377 O ASP A 27 24.293 -3.075 -0.189 1.00 1.74 O ATOM 378 CB ASP A 27 24.650 -5.616 1.536 1.00 2.08 C ATOM 379 CG ASP A 27 24.683 -6.163 2.966 1.00 2.49 C ATOM 380 OD1 ASP A 27 24.037 -7.209 3.201 1.00 3.56 O ATOM 381 OD2 ASP A 27 25.122 -5.440 3.883 1.00 2.65 O ATOM 0 H ASP A 27 22.408 -6.441 0.808 1.00 1.66 H new ATOM 0 HA ASP A 27 23.376 -3.958 2.141 1.00 1.74 H new ATOM 0 HB2 ASP A 27 24.618 -6.438 0.821 1.00 2.08 H new ATOM 0 HB3 ASP A 27 25.558 -5.049 1.330 1.00 2.08 H new ATOM 386 N LEU A 28 22.452 -4.212 -0.792 1.00 1.50 N ATOM 387 CA LEU A 28 22.139 -3.579 -2.063 1.00 1.42 C ATOM 388 C LEU A 28 20.674 -3.100 -2.048 1.00 1.43 C ATOM 389 O LEU A 28 19.885 -3.599 -1.238 1.00 1.52 O ATOM 390 CB LEU A 28 22.509 -4.575 -3.179 1.00 1.54 C ATOM 391 CG LEU A 28 21.797 -5.946 -3.180 1.00 1.95 C ATOM 392 CD1 LEU A 28 20.373 -5.904 -3.755 1.00 2.10 C ATOM 393 CD2 LEU A 28 22.620 -6.938 -4.017 1.00 2.43 C ATOM 0 H LEU A 28 21.788 -4.955 -0.576 1.00 1.50 H new ATOM 0 HA LEU A 28 22.719 -2.675 -2.250 1.00 1.42 H new ATOM 0 HB2 LEU A 28 22.313 -4.094 -4.137 1.00 1.54 H new ATOM 0 HB3 LEU A 28 23.583 -4.754 -3.127 1.00 1.54 H new ATOM 0 HG LEU A 28 21.718 -6.252 -2.137 1.00 1.95 H new ATOM 0 HD11 LEU A 28 19.938 -6.903 -3.723 1.00 2.10 H new ATOM 0 HD12 LEU A 28 19.762 -5.222 -3.163 1.00 2.10 H new ATOM 0 HD13 LEU A 28 20.408 -5.557 -4.788 1.00 2.10 H new ATOM 0 HD21 LEU A 28 22.124 -7.909 -4.023 1.00 2.43 H new ATOM 0 HD22 LEU A 28 22.706 -6.568 -5.039 1.00 2.43 H new ATOM 0 HD23 LEU A 28 23.615 -7.042 -3.584 1.00 2.43 H new ATOM 405 N PRO A 29 20.287 -2.123 -2.891 1.00 1.36 N ATOM 406 CA PRO A 29 18.978 -1.489 -2.802 1.00 1.35 C ATOM 407 C PRO A 29 17.860 -2.396 -3.328 1.00 1.33 C ATOM 408 O PRO A 29 18.087 -3.333 -4.100 1.00 1.46 O ATOM 409 CB PRO A 29 19.098 -0.182 -3.592 1.00 1.31 C ATOM 410 CG PRO A 29 20.160 -0.505 -4.640 1.00 1.30 C ATOM 411 CD PRO A 29 21.087 -1.495 -3.929 1.00 1.30 C ATOM 0 HA PRO A 29 18.700 -1.294 -1.766 1.00 1.35 H new ATOM 0 HB2 PRO A 29 18.151 0.099 -4.052 1.00 1.31 H new ATOM 0 HB3 PRO A 29 19.401 0.648 -2.954 1.00 1.31 H new ATOM 0 HG2 PRO A 29 19.718 -0.943 -5.535 1.00 1.30 H new ATOM 0 HG3 PRO A 29 20.697 0.390 -4.955 1.00 1.30 H new ATOM 0 HD2 PRO A 29 21.472 -2.238 -4.627 1.00 1.30 H new ATOM 0 HD3 PRO A 29 21.949 -0.983 -3.501 1.00 1.30 H new ATOM 419 N LEU A 30 16.634 -2.081 -2.903 1.00 1.21 N ATOM 420 CA LEU A 30 15.389 -2.654 -3.411 1.00 1.15 C ATOM 421 C LEU A 30 14.583 -1.596 -4.143 1.00 1.11 C ATOM 422 O LEU A 30 14.543 -0.435 -3.749 1.00 1.10 O ATOM 423 CB LEU A 30 14.519 -3.205 -2.267 1.00 1.09 C ATOM 424 CG LEU A 30 15.072 -4.499 -1.670 1.00 1.03 C ATOM 425 CD1 LEU A 30 14.432 -4.769 -0.302 1.00 1.54 C ATOM 426 CD2 LEU A 30 14.860 -5.737 -2.548 1.00 1.85 C ATOM 0 H LEU A 30 16.477 -1.393 -2.167 1.00 1.21 H new ATOM 0 HA LEU A 30 15.660 -3.465 -4.087 1.00 1.15 H new ATOM 0 HB2 LEU A 30 14.441 -2.453 -1.482 1.00 1.09 H new ATOM 0 HB3 LEU A 30 13.510 -3.384 -2.638 1.00 1.09 H new ATOM 0 HG LEU A 30 16.147 -4.338 -1.586 1.00 1.03 H new ATOM 0 HD11 LEU A 30 14.835 -5.693 0.112 1.00 1.54 H new ATOM 0 HD12 LEU A 30 14.654 -3.942 0.373 1.00 1.54 H new ATOM 0 HD13 LEU A 30 13.352 -4.863 -0.418 1.00 1.54 H new ATOM 0 HD21 LEU A 30 15.281 -6.611 -2.052 1.00 1.85 H new ATOM 0 HD22 LEU A 30 13.793 -5.890 -2.709 1.00 1.85 H new ATOM 0 HD23 LEU A 30 15.355 -5.591 -3.508 1.00 1.85 H new ATOM 438 N ARG A 31 13.848 -2.094 -5.127 1.00 1.09 N ATOM 439 CA ARG A 31 12.869 -1.345 -5.927 1.00 0.97 C ATOM 440 C ARG A 31 11.548 -2.099 -5.941 1.00 0.85 C ATOM 441 O ARG A 31 11.480 -3.179 -6.527 1.00 0.83 O ATOM 442 CB ARG A 31 13.398 -1.172 -7.358 1.00 0.99 C ATOM 443 CG ARG A 31 12.495 -0.306 -8.258 1.00 1.02 C ATOM 444 CD ARG A 31 13.198 0.911 -8.875 1.00 0.65 C ATOM 445 NE ARG A 31 14.304 0.559 -9.787 1.00 1.67 N ATOM 446 CZ ARG A 31 15.598 0.800 -9.584 1.00 1.60 C ATOM 447 NH1 ARG A 31 16.075 1.201 -8.430 1.00 2.04 N ATOM 448 NH2 ARG A 31 16.452 0.629 -10.569 1.00 2.78 N ATOM 0 H ARG A 31 13.915 -3.072 -5.408 1.00 1.09 H new ATOM 0 HA ARG A 31 12.712 -0.359 -5.489 1.00 0.97 H new ATOM 0 HB2 ARG A 31 14.390 -0.723 -7.316 1.00 0.99 H new ATOM 0 HB3 ARG A 31 13.512 -2.155 -7.814 1.00 0.99 H new ATOM 0 HG2 ARG A 31 12.099 -0.928 -9.061 1.00 1.02 H new ATOM 0 HG3 ARG A 31 11.643 0.040 -7.673 1.00 1.02 H new ATOM 0 HD2 ARG A 31 12.465 1.505 -9.420 1.00 0.65 H new ATOM 0 HD3 ARG A 31 13.586 1.540 -8.074 1.00 0.65 H new ATOM 0 HE ARG A 31 14.053 0.086 -10.655 1.00 1.67 H new ATOM 0 HH11 ARG A 31 15.446 1.341 -7.639 1.00 2.04 H new ATOM 0 HH12 ARG A 31 17.075 1.373 -8.323 1.00 2.04 H new ATOM 0 HH21 ARG A 31 16.122 0.314 -11.481 1.00 2.78 H new ATOM 0 HH22 ARG A 31 17.445 0.812 -10.421 1.00 2.78 H new ATOM 462 N LEU A 32 10.522 -1.563 -5.285 1.00 0.82 N ATOM 463 CA LEU A 32 9.183 -2.140 -5.159 1.00 0.74 C ATOM 464 C LEU A 32 8.292 -1.563 -6.253 1.00 0.59 C ATOM 465 O LEU A 32 8.007 -0.375 -6.234 1.00 0.66 O ATOM 466 CB LEU A 32 8.660 -1.775 -3.765 1.00 0.83 C ATOM 467 CG LEU A 32 7.230 -2.261 -3.451 1.00 0.81 C ATOM 468 CD1 LEU A 32 7.219 -3.761 -3.133 1.00 1.87 C ATOM 469 CD2 LEU A 32 6.691 -1.448 -2.268 1.00 1.70 C ATOM 0 H LEU A 32 10.605 -0.669 -4.802 1.00 0.82 H new ATOM 0 HA LEU A 32 9.195 -3.224 -5.272 1.00 0.74 H new ATOM 0 HB2 LEU A 32 9.339 -2.190 -3.020 1.00 0.83 H new ATOM 0 HB3 LEU A 32 8.690 -0.691 -3.656 1.00 0.83 H new ATOM 0 HG LEU A 32 6.592 -2.112 -4.322 1.00 0.81 H new ATOM 0 HD11 LEU A 32 6.200 -4.079 -2.915 1.00 1.87 H new ATOM 0 HD12 LEU A 32 7.597 -4.317 -3.990 1.00 1.87 H new ATOM 0 HD13 LEU A 32 7.852 -3.954 -2.267 1.00 1.87 H new ATOM 0 HD21 LEU A 32 5.679 -1.778 -2.031 1.00 1.70 H new ATOM 0 HD22 LEU A 32 7.334 -1.597 -1.401 1.00 1.70 H new ATOM 0 HD23 LEU A 32 6.676 -0.390 -2.530 1.00 1.70 H new ATOM 481 N VAL A 33 7.842 -2.396 -7.182 1.00 0.47 N ATOM 482 CA VAL A 33 7.158 -1.972 -8.420 1.00 0.43 C ATOM 483 C VAL A 33 5.686 -2.427 -8.453 1.00 0.44 C ATOM 484 O VAL A 33 4.905 -1.941 -9.264 1.00 0.49 O ATOM 485 CB VAL A 33 7.902 -2.520 -9.668 1.00 0.47 C ATOM 486 CG1 VAL A 33 9.388 -2.106 -9.694 1.00 0.46 C ATOM 487 CG2 VAL A 33 7.861 -4.058 -9.785 1.00 0.57 C ATOM 0 H VAL A 33 7.939 -3.408 -7.105 1.00 0.47 H new ATOM 0 HA VAL A 33 7.173 -0.882 -8.436 1.00 0.43 H new ATOM 0 HB VAL A 33 7.363 -2.078 -10.506 1.00 0.47 H new ATOM 0 HG11 VAL A 33 9.864 -2.514 -10.586 1.00 0.46 H new ATOM 0 HG12 VAL A 33 9.463 -1.019 -9.708 1.00 0.46 H new ATOM 0 HG13 VAL A 33 9.889 -2.493 -8.807 1.00 0.46 H new ATOM 0 HG21 VAL A 33 8.400 -4.369 -10.680 1.00 0.57 H new ATOM 0 HG22 VAL A 33 8.329 -4.502 -8.906 1.00 0.57 H new ATOM 0 HG23 VAL A 33 6.825 -4.390 -9.852 1.00 0.57 H new ATOM 497 N GLY A 34 5.321 -3.395 -7.595 1.00 0.43 N ATOM 498 CA GLY A 34 4.000 -4.023 -7.521 1.00 0.46 C ATOM 499 C GLY A 34 3.719 -4.668 -6.162 1.00 0.45 C ATOM 500 O GLY A 34 4.536 -4.625 -5.243 1.00 0.45 O ATOM 0 H GLY A 34 5.970 -3.774 -6.906 1.00 0.43 H new ATOM 0 HA2 GLY A 34 3.236 -3.273 -7.726 1.00 0.46 H new ATOM 0 HA3 GLY A 34 3.920 -4.781 -8.300 1.00 0.46 H new ATOM 504 N ALA A 35 2.568 -5.331 -6.079 1.00 0.47 N ATOM 505 CA ALA A 35 2.131 -6.139 -4.939 1.00 0.46 C ATOM 506 C ALA A 35 1.244 -7.314 -5.406 1.00 0.45 C ATOM 507 O ALA A 35 0.977 -7.451 -6.598 1.00 0.47 O ATOM 508 CB ALA A 35 1.413 -5.207 -3.946 1.00 0.50 C ATOM 0 H ALA A 35 1.884 -5.321 -6.836 1.00 0.47 H new ATOM 0 HA ALA A 35 2.985 -6.595 -4.438 1.00 0.46 H new ATOM 0 HB1 ALA A 35 1.076 -5.784 -3.085 1.00 0.50 H new ATOM 0 HB2 ALA A 35 2.101 -4.429 -3.615 1.00 0.50 H new ATOM 0 HB3 ALA A 35 0.553 -4.748 -4.434 1.00 0.50 H new ATOM 514 N ARG A 36 0.749 -8.121 -4.461 1.00 0.45 N ATOM 515 CA ARG A 36 -0.453 -8.966 -4.586 1.00 0.59 C ATOM 516 C ARG A 36 -1.149 -9.065 -3.215 1.00 0.70 C ATOM 517 O ARG A 36 -0.655 -8.527 -2.226 1.00 0.82 O ATOM 518 CB ARG A 36 -0.175 -10.383 -5.149 1.00 0.81 C ATOM 519 CG ARG A 36 1.028 -10.548 -6.094 1.00 1.41 C ATOM 520 CD ARG A 36 1.124 -11.965 -6.664 1.00 1.68 C ATOM 521 NE ARG A 36 1.355 -12.993 -5.632 1.00 2.89 N ATOM 522 CZ ARG A 36 1.117 -14.292 -5.754 1.00 3.44 C ATOM 523 NH1 ARG A 36 0.549 -14.807 -6.828 1.00 3.26 N ATOM 524 NH2 ARG A 36 1.459 -15.098 -4.777 1.00 5.19 N ATOM 0 H ARG A 36 1.192 -8.210 -3.546 1.00 0.45 H new ATOM 0 HA ARG A 36 -1.101 -8.482 -5.316 1.00 0.59 H new ATOM 0 HB2 ARG A 36 -0.035 -11.059 -4.305 1.00 0.81 H new ATOM 0 HB3 ARG A 36 -1.067 -10.715 -5.679 1.00 0.81 H new ATOM 0 HG2 ARG A 36 0.945 -9.833 -6.913 1.00 1.41 H new ATOM 0 HG3 ARG A 36 1.946 -10.311 -5.556 1.00 1.41 H new ATOM 0 HD2 ARG A 36 0.203 -12.197 -7.199 1.00 1.68 H new ATOM 0 HD3 ARG A 36 1.934 -12.002 -7.392 1.00 1.68 H new ATOM 0 HE ARG A 36 1.734 -12.675 -4.740 1.00 2.89 H new ATOM 0 HH11 ARG A 36 0.277 -14.200 -7.601 1.00 3.26 H new ATOM 0 HH12 ARG A 36 0.382 -15.812 -6.885 1.00 3.26 H new ATOM 0 HH21 ARG A 36 1.902 -14.723 -3.938 1.00 5.19 H new ATOM 0 HH22 ARG A 36 1.282 -16.099 -4.856 1.00 5.19 H new ATOM 538 N THR A 37 -2.256 -9.810 -3.136 1.00 0.70 N ATOM 539 CA THR A 37 -3.025 -10.141 -1.924 1.00 0.71 C ATOM 540 C THR A 37 -4.066 -11.199 -2.304 1.00 0.71 C ATOM 541 O THR A 37 -4.511 -11.177 -3.455 1.00 0.74 O ATOM 542 CB THR A 37 -3.646 -8.890 -1.284 1.00 0.74 C ATOM 543 OG1 THR A 37 -4.517 -9.230 -0.239 1.00 0.78 O ATOM 544 CG2 THR A 37 -4.472 -8.037 -2.236 1.00 0.74 C ATOM 0 H THR A 37 -2.669 -10.227 -3.970 1.00 0.70 H new ATOM 0 HA THR A 37 -2.367 -10.549 -1.157 1.00 0.71 H new ATOM 0 HB THR A 37 -2.779 -8.323 -0.945 1.00 0.74 H new ATOM 0 HG1 THR A 37 -4.013 -9.296 0.599 1.00 0.78 H new ATOM 0 HG21 THR A 37 -4.872 -7.176 -1.700 1.00 0.74 H new ATOM 0 HG22 THR A 37 -3.842 -7.693 -3.056 1.00 0.74 H new ATOM 0 HG23 THR A 37 -5.295 -8.630 -2.635 1.00 0.74 H new ATOM 552 N PRO A 38 -4.453 -12.120 -1.399 1.00 0.71 N ATOM 553 CA PRO A 38 -5.424 -13.169 -1.702 1.00 0.65 C ATOM 554 C PRO A 38 -6.861 -12.652 -1.801 1.00 0.59 C ATOM 555 O PRO A 38 -7.727 -13.376 -2.275 1.00 0.65 O ATOM 556 CB PRO A 38 -5.263 -14.196 -0.582 1.00 0.70 C ATOM 557 CG PRO A 38 -4.779 -13.378 0.609 1.00 0.77 C ATOM 558 CD PRO A 38 -3.926 -12.298 -0.051 1.00 0.79 C ATOM 0 HA PRO A 38 -5.234 -13.600 -2.685 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -6.206 -14.698 -0.364 1.00 0.70 H new ATOM 0 HB3 PRO A 38 -4.545 -14.970 -0.852 1.00 0.70 H new ATOM 0 HG2 PRO A 38 -5.609 -12.951 1.171 1.00 0.77 H new ATOM 0 HG3 PRO A 38 -4.199 -13.982 1.307 1.00 0.77 H new ATOM 0 HD2 PRO A 38 -3.977 -11.366 0.512 1.00 0.79 H new ATOM 0 HD3 PRO A 38 -2.878 -12.596 -0.080 1.00 0.79 H new ATOM 566 N VAL A 39 -7.113 -11.409 -1.384 1.00 0.59 N ATOM 567 CA VAL A 39 -8.392 -10.694 -1.547 1.00 0.62 C ATOM 568 C VAL A 39 -8.250 -9.540 -2.550 1.00 0.56 C ATOM 569 O VAL A 39 -8.564 -8.387 -2.275 1.00 0.67 O ATOM 570 CB VAL A 39 -8.984 -10.250 -0.187 1.00 0.79 C ATOM 571 CG1 VAL A 39 -9.425 -11.492 0.606 1.00 0.97 C ATOM 572 CG2 VAL A 39 -8.006 -9.426 0.668 1.00 0.79 C ATOM 0 H VAL A 39 -6.409 -10.847 -0.905 1.00 0.59 H new ATOM 0 HA VAL A 39 -9.118 -11.389 -1.969 1.00 0.62 H new ATOM 0 HB VAL A 39 -9.832 -9.602 -0.411 1.00 0.79 H new ATOM 0 HG11 VAL A 39 -9.842 -11.183 1.564 1.00 0.97 H new ATOM 0 HG12 VAL A 39 -10.181 -12.036 0.040 1.00 0.97 H new ATOM 0 HG13 VAL A 39 -8.565 -12.139 0.777 1.00 0.97 H new ATOM 0 HG21 VAL A 39 -8.487 -9.149 1.606 1.00 0.79 H new ATOM 0 HG22 VAL A 39 -7.117 -10.020 0.878 1.00 0.79 H new ATOM 0 HG23 VAL A 39 -7.720 -8.524 0.127 1.00 0.79 H new ATOM 582 N ALA A 40 -7.849 -9.891 -3.772 1.00 0.58 N ATOM 583 CA ALA A 40 -7.880 -9.044 -4.960 1.00 0.57 C ATOM 584 C ALA A 40 -7.757 -9.907 -6.225 1.00 0.73 C ATOM 585 O ALA A 40 -7.476 -11.104 -6.167 1.00 1.27 O ATOM 586 CB ALA A 40 -6.752 -8.002 -4.879 1.00 0.73 C ATOM 0 H ALA A 40 -7.476 -10.820 -3.968 1.00 0.58 H new ATOM 0 HA ALA A 40 -8.831 -8.515 -5.009 1.00 0.57 H new ATOM 0 HB1 ALA A 40 -6.776 -7.370 -5.767 1.00 0.73 H new ATOM 0 HB2 ALA A 40 -6.889 -7.385 -3.991 1.00 0.73 H new ATOM 0 HB3 ALA A 40 -5.790 -8.511 -4.822 1.00 0.73 H new ATOM 592 N GLU A 41 -7.937 -9.274 -7.377 1.00 0.63 N ATOM 593 CA GLU A 41 -7.454 -9.772 -8.669 1.00 0.76 C ATOM 594 C GLU A 41 -6.442 -8.808 -9.312 1.00 0.72 C ATOM 595 O GLU A 41 -5.661 -9.212 -10.171 1.00 0.92 O ATOM 596 CB GLU A 41 -8.649 -9.973 -9.610 1.00 1.02 C ATOM 597 CG GLU A 41 -8.368 -11.086 -10.622 1.00 1.33 C ATOM 598 CD GLU A 41 -9.548 -11.244 -11.567 1.00 2.05 C ATOM 599 OE1 GLU A 41 -10.616 -11.655 -11.066 1.00 2.49 O ATOM 600 OE2 GLU A 41 -9.392 -10.886 -12.757 1.00 3.56 O ATOM 0 H GLU A 41 -8.431 -8.384 -7.446 1.00 0.63 H new ATOM 0 HA GLU A 41 -6.943 -10.720 -8.499 1.00 0.76 H new ATOM 0 HB2 GLU A 41 -9.537 -10.221 -9.028 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -8.862 -9.043 -10.137 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -7.467 -10.853 -11.189 1.00 1.33 H new ATOM 0 HG3 GLU A 41 -8.182 -12.025 -10.100 1.00 1.33 H new ATOM 607 N ARG A 42 -6.464 -7.531 -8.903 1.00 0.71 N ATOM 608 CA ARG A 42 -5.580 -6.463 -9.364 1.00 0.74 C ATOM 609 C ARG A 42 -5.261 -5.555 -8.179 1.00 0.60 C ATOM 610 O ARG A 42 -6.043 -5.413 -7.239 1.00 0.71 O ATOM 611 CB ARG A 42 -6.197 -5.648 -10.526 1.00 1.04 C ATOM 612 CG ARG A 42 -6.738 -6.570 -11.623 1.00 1.51 C ATOM 613 CD ARG A 42 -7.201 -5.901 -12.922 1.00 2.05 C ATOM 614 NE ARG A 42 -8.236 -6.690 -13.639 1.00 3.08 N ATOM 615 CZ ARG A 42 -8.419 -8.012 -13.667 1.00 4.82 C ATOM 616 NH1 ARG A 42 -7.558 -8.902 -13.226 1.00 6.12 N ATOM 617 NH2 ARG A 42 -9.542 -8.516 -14.124 1.00 6.00 N ATOM 0 H ARG A 42 -7.134 -7.204 -8.207 1.00 0.71 H new ATOM 0 HA ARG A 42 -4.667 -6.911 -9.756 1.00 0.74 H new ATOM 0 HB2 ARG A 42 -7.002 -5.020 -10.146 1.00 1.04 H new ATOM 0 HB3 ARG A 42 -5.444 -4.981 -10.946 1.00 1.04 H new ATOM 0 HG2 ARG A 42 -5.962 -7.294 -11.872 1.00 1.51 H new ATOM 0 HG3 ARG A 42 -7.577 -7.131 -11.212 1.00 1.51 H new ATOM 0 HD2 ARG A 42 -7.598 -4.912 -12.694 1.00 2.05 H new ATOM 0 HD3 ARG A 42 -6.342 -5.757 -13.577 1.00 2.05 H new ATOM 0 HE ARG A 42 -8.901 -6.144 -14.187 1.00 3.08 H new ATOM 0 HH11 ARG A 42 -6.671 -8.598 -12.825 1.00 6.12 H new ATOM 0 HH12 ARG A 42 -7.777 -9.896 -13.285 1.00 6.12 H new ATOM 0 HH21 ARG A 42 -10.280 -7.897 -14.460 1.00 6.00 H new ATOM 0 HH22 ARG A 42 -9.677 -9.527 -14.143 1.00 6.00 H new ATOM 631 N VAL A 43 -4.090 -4.951 -8.226 1.00 0.69 N ATOM 632 CA VAL A 43 -3.573 -4.007 -7.234 1.00 0.64 C ATOM 633 C VAL A 43 -2.808 -2.925 -7.991 1.00 0.77 C ATOM 634 O VAL A 43 -2.255 -3.206 -9.054 1.00 1.13 O ATOM 635 CB VAL A 43 -2.700 -4.722 -6.179 1.00 0.68 C ATOM 636 CG1 VAL A 43 -1.392 -5.290 -6.752 1.00 0.84 C ATOM 637 CG2 VAL A 43 -2.368 -3.838 -4.970 1.00 0.76 C ATOM 0 H VAL A 43 -3.435 -5.108 -8.992 1.00 0.69 H new ATOM 0 HA VAL A 43 -4.389 -3.551 -6.673 1.00 0.64 H new ATOM 0 HB VAL A 43 -3.323 -5.552 -5.847 1.00 0.68 H new ATOM 0 HG11 VAL A 43 -0.828 -5.778 -5.957 1.00 0.84 H new ATOM 0 HG12 VAL A 43 -1.621 -6.016 -7.532 1.00 0.84 H new ATOM 0 HG13 VAL A 43 -0.797 -4.480 -7.173 1.00 0.84 H new ATOM 0 HG21 VAL A 43 -1.753 -4.399 -4.267 1.00 0.76 H new ATOM 0 HG22 VAL A 43 -1.823 -2.955 -5.304 1.00 0.76 H new ATOM 0 HG23 VAL A 43 -3.292 -3.531 -4.479 1.00 0.76 H new ATOM 647 N GLU A 44 -2.823 -1.710 -7.457 1.00 0.61 N ATOM 648 CA GLU A 44 -2.400 -0.475 -8.117 1.00 0.62 C ATOM 649 C GLU A 44 -1.549 0.324 -7.124 1.00 0.60 C ATOM 650 O GLU A 44 -1.905 0.366 -5.945 1.00 0.75 O ATOM 651 CB GLU A 44 -3.686 0.302 -8.464 1.00 0.79 C ATOM 652 CG GLU A 44 -3.532 1.378 -9.532 1.00 2.20 C ATOM 653 CD GLU A 44 -3.241 0.775 -10.892 1.00 2.62 C ATOM 654 OE1 GLU A 44 -4.201 0.277 -11.519 1.00 2.93 O ATOM 655 OE2 GLU A 44 -2.056 0.847 -11.269 1.00 4.10 O ATOM 0 H GLU A 44 -3.147 -1.548 -6.503 1.00 0.61 H new ATOM 0 HA GLU A 44 -1.815 -0.661 -9.018 1.00 0.62 H new ATOM 0 HB2 GLU A 44 -4.442 -0.410 -8.796 1.00 0.79 H new ATOM 0 HB3 GLU A 44 -4.065 0.768 -7.555 1.00 0.79 H new ATOM 0 HG2 GLU A 44 -4.444 1.973 -9.584 1.00 2.20 H new ATOM 0 HG3 GLU A 44 -2.725 2.056 -9.253 1.00 2.20 H new ATOM 662 N LEU A 45 -0.453 0.966 -7.537 1.00 0.64 N ATOM 663 CA LEU A 45 0.402 1.733 -6.617 1.00 0.67 C ATOM 664 C LEU A 45 0.136 3.236 -6.747 1.00 0.61 C ATOM 665 O LEU A 45 0.333 3.811 -7.816 1.00 0.64 O ATOM 666 CB LEU A 45 1.872 1.366 -6.881 1.00 0.93 C ATOM 667 CG LEU A 45 2.867 2.109 -5.968 1.00 0.62 C ATOM 668 CD1 LEU A 45 2.813 1.665 -4.502 1.00 0.83 C ATOM 669 CD2 LEU A 45 4.289 1.861 -6.471 1.00 1.25 C ATOM 0 H LEU A 45 -0.133 0.972 -8.506 1.00 0.64 H new ATOM 0 HA LEU A 45 0.166 1.474 -5.585 1.00 0.67 H new ATOM 0 HB2 LEU A 45 2.000 0.292 -6.745 1.00 0.93 H new ATOM 0 HB3 LEU A 45 2.112 1.587 -7.921 1.00 0.93 H new ATOM 0 HG LEU A 45 2.586 3.161 -6.008 1.00 0.62 H new ATOM 0 HD11 LEU A 45 3.541 2.233 -3.923 1.00 0.83 H new ATOM 0 HD12 LEU A 45 1.814 1.844 -4.104 1.00 0.83 H new ATOM 0 HD13 LEU A 45 3.045 0.602 -4.435 1.00 0.83 H new ATOM 0 HD21 LEU A 45 4.998 2.384 -5.829 1.00 1.25 H new ATOM 0 HD22 LEU A 45 4.501 0.792 -6.450 1.00 1.25 H new ATOM 0 HD23 LEU A 45 4.383 2.230 -7.492 1.00 1.25 H new ATOM 681 N HIS A 46 -0.285 3.891 -5.660 1.00 0.60 N ATOM 682 CA HIS A 46 -0.701 5.296 -5.613 1.00 0.57 C ATOM 683 C HIS A 46 0.058 6.173 -4.598 1.00 0.57 C ATOM 684 O HIS A 46 0.588 5.729 -3.579 1.00 0.63 O ATOM 685 CB HIS A 46 -2.204 5.373 -5.255 1.00 0.56 C ATOM 686 CG HIS A 46 -3.227 4.842 -6.225 1.00 0.57 C ATOM 687 ND1 HIS A 46 -4.591 4.765 -5.961 1.00 0.56 N ATOM 688 CD2 HIS A 46 -3.028 4.355 -7.482 1.00 0.64 C ATOM 689 CE1 HIS A 46 -5.178 4.245 -7.041 1.00 0.63 C ATOM 690 NE2 HIS A 46 -4.260 4.005 -7.987 1.00 0.70 N ATOM 0 H HIS A 46 -0.348 3.436 -4.749 1.00 0.60 H new ATOM 0 HA HIS A 46 -0.475 5.688 -6.605 1.00 0.57 H new ATOM 0 HB2 HIS A 46 -2.342 4.844 -4.312 1.00 0.56 H new ATOM 0 HB3 HIS A 46 -2.442 6.420 -5.070 1.00 0.56 H new ATOM 0 HD1 HIS A 46 -5.057 5.053 -5.100 1.00 0.56 H new ATOM 0 HD2 HIS A 46 -2.079 4.261 -7.989 1.00 0.64 H new ATOM 0 HE1 HIS A 46 -6.235 4.047 -7.138 1.00 0.63 H new ATOM 698 N GLU A 47 -0.025 7.474 -4.846 1.00 0.53 N ATOM 699 CA GLU A 47 0.171 8.571 -3.916 1.00 0.54 C ATOM 700 C GLU A 47 -1.171 9.187 -3.491 1.00 0.51 C ATOM 701 O GLU A 47 -2.089 9.259 -4.311 1.00 0.83 O ATOM 702 CB GLU A 47 1.086 9.598 -4.593 1.00 0.66 C ATOM 703 CG GLU A 47 0.591 10.249 -5.881 1.00 0.71 C ATOM 704 CD GLU A 47 1.515 11.367 -6.372 1.00 1.19 C ATOM 705 OE1 GLU A 47 2.760 11.228 -6.371 1.00 2.36 O ATOM 706 OE2 GLU A 47 0.965 12.363 -6.886 1.00 2.16 O ATOM 0 H GLU A 47 -0.250 7.813 -5.781 1.00 0.53 H new ATOM 0 HA GLU A 47 0.639 8.213 -2.999 1.00 0.54 H new ATOM 0 HB2 GLU A 47 1.290 10.391 -3.874 1.00 0.66 H new ATOM 0 HB3 GLU A 47 2.037 9.110 -4.808 1.00 0.66 H new ATOM 0 HG2 GLU A 47 0.504 9.489 -6.657 1.00 0.71 H new ATOM 0 HG3 GLU A 47 -0.408 10.654 -5.718 1.00 0.71 H new ATOM 713 N THR A 48 -1.262 9.673 -2.241 1.00 0.64 N ATOM 714 CA THR A 48 -2.228 10.702 -1.819 1.00 0.57 C ATOM 715 C THR A 48 -1.423 11.991 -1.615 1.00 0.52 C ATOM 716 O THR A 48 -0.262 11.904 -1.215 1.00 0.54 O ATOM 717 CB THR A 48 -2.892 10.298 -0.496 1.00 0.64 C ATOM 718 OG1 THR A 48 -3.607 9.094 -0.635 1.00 0.86 O ATOM 719 CG2 THR A 48 -3.894 11.328 0.023 1.00 0.66 C ATOM 0 H THR A 48 -0.657 9.357 -1.483 1.00 0.64 H new ATOM 0 HA THR A 48 -3.014 10.829 -2.564 1.00 0.57 H new ATOM 0 HB THR A 48 -2.064 10.205 0.207 1.00 0.64 H new ATOM 0 HG1 THR A 48 -3.078 8.355 -0.268 1.00 0.86 H new ATOM 0 HG21 THR A 48 -4.324 10.977 0.961 1.00 0.66 H new ATOM 0 HG22 THR A 48 -3.386 12.278 0.190 1.00 0.66 H new ATOM 0 HG23 THR A 48 -4.688 11.465 -0.711 1.00 0.66 H new ATOM 727 N PHE A 49 -2.015 13.166 -1.854 1.00 0.62 N ATOM 728 CA PHE A 49 -1.357 14.476 -1.724 1.00 0.75 C ATOM 729 C PHE A 49 -2.362 15.630 -1.541 1.00 0.63 C ATOM 730 O PHE A 49 -3.576 15.426 -1.502 1.00 0.59 O ATOM 731 CB PHE A 49 -0.438 14.707 -2.939 1.00 0.96 C ATOM 732 CG PHE A 49 -1.179 14.735 -4.262 1.00 0.94 C ATOM 733 CD1 PHE A 49 -1.733 15.935 -4.746 1.00 1.86 C ATOM 734 CD2 PHE A 49 -1.358 13.546 -4.987 1.00 1.98 C ATOM 735 CE1 PHE A 49 -2.478 15.942 -5.936 1.00 1.86 C ATOM 736 CE2 PHE A 49 -2.092 13.558 -6.180 1.00 2.06 C ATOM 737 CZ PHE A 49 -2.657 14.751 -6.661 1.00 1.11 C ATOM 0 H PHE A 49 -2.988 13.237 -2.150 1.00 0.62 H new ATOM 0 HA PHE A 49 -0.755 14.466 -0.816 1.00 0.75 H new ATOM 0 HB2 PHE A 49 0.093 15.650 -2.809 1.00 0.96 H new ATOM 0 HB3 PHE A 49 0.315 13.919 -2.970 1.00 0.96 H new ATOM 0 HD1 PHE A 49 -1.584 16.855 -4.199 1.00 1.86 H new ATOM 0 HD2 PHE A 49 -0.930 12.623 -4.625 1.00 1.98 H new ATOM 0 HE1 PHE A 49 -2.914 16.863 -6.295 1.00 1.86 H new ATOM 0 HE2 PHE A 49 -2.225 12.641 -6.735 1.00 2.06 H new ATOM 0 HZ PHE A 49 -3.224 14.753 -7.580 1.00 1.11 H new ATOM 747 N MET A 50 -1.857 16.867 -1.424 1.00 0.69 N ATOM 748 CA MET A 50 -2.654 18.092 -1.215 1.00 0.74 C ATOM 749 C MET A 50 -2.727 19.009 -2.448 1.00 0.78 C ATOM 750 O MET A 50 -1.752 19.188 -3.178 1.00 0.84 O ATOM 751 CB MET A 50 -2.105 18.879 -0.008 1.00 0.89 C ATOM 752 CG MET A 50 -2.938 18.622 1.251 1.00 2.13 C ATOM 753 SD MET A 50 -4.613 19.307 1.170 1.00 3.66 S ATOM 754 CE MET A 50 -5.242 18.731 2.766 1.00 5.33 C ATOM 0 H MET A 50 -0.855 17.051 -1.473 1.00 0.69 H new ATOM 0 HA MET A 50 -3.674 17.759 -1.022 1.00 0.74 H new ATOM 0 HB2 MET A 50 -1.069 18.593 0.174 1.00 0.89 H new ATOM 0 HB3 MET A 50 -2.106 19.945 -0.236 1.00 0.89 H new ATOM 0 HG2 MET A 50 -3.003 17.547 1.420 1.00 2.13 H new ATOM 0 HG3 MET A 50 -2.422 19.049 2.111 1.00 2.13 H new ATOM 0 HE1 MET A 50 -6.307 18.954 2.839 1.00 5.33 H new ATOM 0 HE2 MET A 50 -5.090 17.655 2.850 1.00 5.33 H new ATOM 0 HE3 MET A 50 -4.709 19.237 3.571 1.00 5.33 H new ATOM 764 N ARG A 51 -3.894 19.631 -2.641 1.00 0.89 N ATOM 765 CA ARG A 51 -4.219 20.575 -3.721 1.00 1.03 C ATOM 766 C ARG A 51 -5.103 21.723 -3.226 1.00 1.17 C ATOM 767 O ARG A 51 -6.041 21.528 -2.457 1.00 1.22 O ATOM 768 CB ARG A 51 -4.973 19.824 -4.839 1.00 1.23 C ATOM 769 CG ARG A 51 -4.097 19.479 -6.056 1.00 1.21 C ATOM 770 CD ARG A 51 -4.261 20.446 -7.238 1.00 1.70 C ATOM 771 NE ARG A 51 -4.055 21.862 -6.885 1.00 3.39 N ATOM 772 CZ ARG A 51 -2.911 22.503 -6.701 1.00 4.49 C ATOM 773 NH1 ARG A 51 -1.741 21.893 -6.713 1.00 4.92 N ATOM 774 NH2 ARG A 51 -2.970 23.797 -6.480 1.00 6.07 N ATOM 0 H ARG A 51 -4.684 19.482 -2.013 1.00 0.89 H new ATOM 0 HA ARG A 51 -3.283 20.994 -4.090 1.00 1.03 H new ATOM 0 HB2 ARG A 51 -5.388 18.903 -4.429 1.00 1.23 H new ATOM 0 HB3 ARG A 51 -5.814 20.433 -5.170 1.00 1.23 H new ATOM 0 HG2 ARG A 51 -3.051 19.472 -5.748 1.00 1.21 H new ATOM 0 HG3 ARG A 51 -4.338 18.470 -6.390 1.00 1.21 H new ATOM 0 HD2 ARG A 51 -3.554 20.170 -8.021 1.00 1.70 H new ATOM 0 HD3 ARG A 51 -5.261 20.328 -7.655 1.00 1.70 H new ATOM 0 HE ARG A 51 -4.901 22.419 -6.767 1.00 3.39 H new ATOM 0 HH11 ARG A 51 -1.692 20.886 -6.869 1.00 4.92 H new ATOM 0 HH12 ARG A 51 -0.885 22.428 -6.567 1.00 4.92 H new ATOM 0 HH21 ARG A 51 -3.874 24.269 -6.455 1.00 6.07 H new ATOM 0 HH22 ARG A 51 -2.112 24.329 -6.333 1.00 6.07 H new ATOM 788 N GLU A 52 -4.884 22.920 -3.760 1.00 1.32 N ATOM 789 CA GLU A 52 -5.865 23.975 -3.811 1.00 1.41 C ATOM 790 C GLU A 52 -6.505 23.996 -5.207 1.00 1.26 C ATOM 791 O GLU A 52 -5.766 24.008 -6.198 1.00 1.33 O ATOM 792 CB GLU A 52 -5.110 25.274 -3.571 1.00 1.74 C ATOM 793 CG GLU A 52 -6.080 26.387 -3.220 1.00 1.97 C ATOM 794 CD GLU A 52 -6.557 26.346 -1.767 1.00 2.30 C ATOM 795 OE1 GLU A 52 -6.082 25.507 -0.973 1.00 2.47 O ATOM 796 OE2 GLU A 52 -7.430 27.156 -1.398 1.00 3.36 O ATOM 0 H GLU A 52 -3.991 23.181 -4.178 1.00 1.32 H new ATOM 0 HA GLU A 52 -6.652 23.835 -3.070 1.00 1.41 H new ATOM 0 HB2 GLU A 52 -4.390 25.141 -2.763 1.00 1.74 H new ATOM 0 HB3 GLU A 52 -4.543 25.543 -4.462 1.00 1.74 H new ATOM 0 HG2 GLU A 52 -5.602 27.348 -3.410 1.00 1.97 H new ATOM 0 HG3 GLU A 52 -6.945 26.325 -3.880 1.00 1.97 H new ATOM 803 N VAL A 53 -7.834 24.030 -5.306 1.00 1.27 N ATOM 804 CA VAL A 53 -8.573 24.219 -6.574 1.00 1.26 C ATOM 805 C VAL A 53 -9.759 25.144 -6.288 1.00 1.61 C ATOM 806 O VAL A 53 -10.423 24.953 -5.276 1.00 2.02 O ATOM 807 CB VAL A 53 -9.066 22.878 -7.177 1.00 1.26 C ATOM 808 CG1 VAL A 53 -9.613 23.095 -8.598 1.00 1.66 C ATOM 809 CG2 VAL A 53 -7.955 21.812 -7.264 1.00 2.05 C ATOM 0 H VAL A 53 -8.447 23.926 -4.497 1.00 1.27 H new ATOM 0 HA VAL A 53 -7.903 24.658 -7.314 1.00 1.26 H new ATOM 0 HB VAL A 53 -9.844 22.520 -6.503 1.00 1.26 H new ATOM 0 HG11 VAL A 53 -9.954 22.144 -9.006 1.00 1.66 H new ATOM 0 HG12 VAL A 53 -10.447 23.795 -8.564 1.00 1.66 H new ATOM 0 HG13 VAL A 53 -8.825 23.500 -9.233 1.00 1.66 H new ATOM 0 HG21 VAL A 53 -8.362 20.897 -7.694 1.00 2.05 H new ATOM 0 HG22 VAL A 53 -7.146 22.181 -7.894 1.00 2.05 H new ATOM 0 HG23 VAL A 53 -7.571 21.604 -6.265 1.00 2.05 H new ATOM 819 N GLU A 54 -9.968 26.180 -7.111 1.00 1.73 N ATOM 820 CA GLU A 54 -10.976 27.249 -6.927 1.00 2.03 C ATOM 821 C GLU A 54 -10.815 28.070 -5.617 1.00 2.20 C ATOM 822 O GLU A 54 -11.794 28.621 -5.100 1.00 2.53 O ATOM 823 CB GLU A 54 -12.416 26.718 -6.928 1.00 2.21 C ATOM 824 CG GLU A 54 -12.950 25.699 -7.933 1.00 2.69 C ATOM 825 CD GLU A 54 -14.421 25.393 -7.595 1.00 2.96 C ATOM 826 OE1 GLU A 54 -14.863 25.745 -6.468 1.00 3.14 O ATOM 827 OE2 GLU A 54 -15.100 24.830 -8.471 1.00 3.81 O ATOM 0 H GLU A 54 -9.419 26.308 -7.961 1.00 1.73 H new ATOM 0 HA GLU A 54 -10.792 27.895 -7.786 1.00 2.03 H new ATOM 0 HB2 GLU A 54 -12.582 26.288 -5.941 1.00 2.21 H new ATOM 0 HB3 GLU A 54 -13.063 27.592 -7.008 1.00 2.21 H new ATOM 0 HG2 GLU A 54 -12.869 26.091 -8.947 1.00 2.69 H new ATOM 0 HG3 GLU A 54 -12.356 24.786 -7.896 1.00 2.69 H new ATOM 834 N GLY A 55 -9.626 28.077 -4.999 1.00 2.09 N ATOM 835 CA GLY A 55 -9.445 28.624 -3.642 1.00 2.32 C ATOM 836 C GLY A 55 -10.049 27.732 -2.547 1.00 2.36 C ATOM 837 O GLY A 55 -10.431 28.215 -1.482 1.00 2.75 O ATOM 0 H GLY A 55 -8.771 27.709 -5.417 1.00 2.09 H new ATOM 0 HA2 GLY A 55 -8.380 28.756 -3.449 1.00 2.32 H new ATOM 0 HA3 GLY A 55 -9.903 29.612 -3.591 1.00 2.32 H new ATOM 841 N LYS A 56 -10.162 26.428 -2.817 1.00 2.05 N ATOM 842 CA LYS A 56 -10.581 25.389 -1.878 1.00 2.02 C ATOM 843 C LYS A 56 -9.429 24.389 -1.723 1.00 1.61 C ATOM 844 O LYS A 56 -8.959 23.794 -2.700 1.00 1.36 O ATOM 845 CB LYS A 56 -11.857 24.638 -2.320 1.00 2.21 C ATOM 846 CG LYS A 56 -12.933 25.443 -3.051 1.00 2.74 C ATOM 847 CD LYS A 56 -13.552 26.636 -2.314 1.00 2.05 C ATOM 848 CE LYS A 56 -14.742 27.230 -3.092 1.00 2.71 C ATOM 849 NZ LYS A 56 -14.426 27.549 -4.509 1.00 2.53 N ATOM 0 H LYS A 56 -9.953 26.053 -3.742 1.00 2.05 H new ATOM 0 HA LYS A 56 -10.823 25.877 -0.934 1.00 2.02 H new ATOM 0 HB2 LYS A 56 -11.555 23.814 -2.967 1.00 2.21 H new ATOM 0 HB3 LYS A 56 -12.312 24.196 -1.433 1.00 2.21 H new ATOM 0 HG2 LYS A 56 -12.502 25.811 -3.982 1.00 2.74 H new ATOM 0 HG3 LYS A 56 -13.739 24.760 -3.320 1.00 2.74 H new ATOM 0 HD2 LYS A 56 -13.885 26.320 -1.325 1.00 2.05 H new ATOM 0 HD3 LYS A 56 -12.794 27.405 -2.165 1.00 2.05 H new ATOM 0 HE2 LYS A 56 -15.573 26.525 -3.063 1.00 2.71 H new ATOM 0 HE3 LYS A 56 -15.077 28.138 -2.590 1.00 2.71 H new ATOM 0 HZ1 LYS A 56 -15.119 28.233 -4.874 1.00 2.53 H new ATOM 0 HZ2 LYS A 56 -13.472 27.958 -4.568 1.00 2.53 H new ATOM 0 HZ3 LYS A 56 -14.466 26.679 -5.078 1.00 2.53 H new ATOM 863 N LYS A 57 -8.989 24.181 -0.490 1.00 1.63 N ATOM 864 CA LYS A 57 -8.058 23.141 -0.077 1.00 1.55 C ATOM 865 C LYS A 57 -8.746 21.763 -0.069 1.00 1.43 C ATOM 866 O LYS A 57 -9.745 21.575 0.616 1.00 1.57 O ATOM 867 CB LYS A 57 -7.428 23.515 1.283 1.00 1.80 C ATOM 868 CG LYS A 57 -8.349 24.049 2.400 1.00 2.91 C ATOM 869 CD LYS A 57 -8.705 25.556 2.390 1.00 3.79 C ATOM 870 CE LYS A 57 -7.514 26.523 2.518 1.00 3.53 C ATOM 871 NZ LYS A 57 -6.891 26.878 1.216 1.00 3.90 N ATOM 0 H LYS A 57 -9.288 24.765 0.291 1.00 1.63 H new ATOM 0 HA LYS A 57 -7.244 23.067 -0.799 1.00 1.55 H new ATOM 0 HB2 LYS A 57 -6.920 22.631 1.667 1.00 1.80 H new ATOM 0 HB3 LYS A 57 -6.662 24.268 1.097 1.00 1.80 H new ATOM 0 HG2 LYS A 57 -9.281 23.485 2.362 1.00 2.91 H new ATOM 0 HG3 LYS A 57 -7.879 23.823 3.357 1.00 2.91 H new ATOM 0 HD2 LYS A 57 -9.233 25.780 1.463 1.00 3.79 H new ATOM 0 HD3 LYS A 57 -9.399 25.752 3.208 1.00 3.79 H new ATOM 0 HE2 LYS A 57 -7.849 27.435 3.011 1.00 3.53 H new ATOM 0 HE3 LYS A 57 -6.759 26.072 3.161 1.00 3.53 H new ATOM 0 HZ1 LYS A 57 -6.504 27.842 1.268 1.00 3.90 H new ATOM 0 HZ2 LYS A 57 -6.124 26.208 1.004 1.00 3.90 H new ATOM 0 HZ3 LYS A 57 -7.608 26.832 0.464 1.00 3.90 H new ATOM 885 N VAL A 58 -8.207 20.821 -0.840 1.00 1.28 N ATOM 886 CA VAL A 58 -8.728 19.486 -1.131 1.00 1.16 C ATOM 887 C VAL A 58 -7.563 18.495 -1.282 1.00 0.98 C ATOM 888 O VAL A 58 -6.448 18.900 -1.601 1.00 1.00 O ATOM 889 CB VAL A 58 -9.553 19.508 -2.439 1.00 1.16 C ATOM 890 CG1 VAL A 58 -10.894 20.239 -2.258 1.00 2.46 C ATOM 891 CG2 VAL A 58 -8.808 20.100 -3.653 1.00 1.69 C ATOM 0 H VAL A 58 -7.321 20.985 -1.317 1.00 1.28 H new ATOM 0 HA VAL A 58 -9.370 19.174 -0.307 1.00 1.16 H new ATOM 0 HB VAL A 58 -9.733 18.456 -2.659 1.00 1.16 H new ATOM 0 HG11 VAL A 58 -11.442 20.232 -3.200 1.00 2.46 H new ATOM 0 HG12 VAL A 58 -11.483 19.735 -1.492 1.00 2.46 H new ATOM 0 HG13 VAL A 58 -10.709 21.269 -1.954 1.00 2.46 H new ATOM 0 HG21 VAL A 58 -9.460 20.077 -4.527 1.00 1.69 H new ATOM 0 HG22 VAL A 58 -8.525 21.131 -3.439 1.00 1.69 H new ATOM 0 HG23 VAL A 58 -7.912 19.512 -3.853 1.00 1.69 H new ATOM 901 N MET A 59 -7.797 17.196 -1.078 1.00 0.92 N ATOM 902 CA MET A 59 -6.780 16.160 -1.347 1.00 0.72 C ATOM 903 C MET A 59 -6.947 15.532 -2.733 1.00 0.57 C ATOM 904 O MET A 59 -8.063 15.392 -3.228 1.00 0.81 O ATOM 905 CB MET A 59 -6.752 15.097 -0.241 1.00 0.88 C ATOM 906 CG MET A 59 -6.234 15.721 1.058 1.00 1.08 C ATOM 907 SD MET A 59 -5.753 14.515 2.320 1.00 2.46 S ATOM 908 CE MET A 59 -3.978 14.445 1.969 1.00 3.70 C ATOM 0 H MET A 59 -8.682 16.830 -0.727 1.00 0.92 H new ATOM 0 HA MET A 59 -5.811 16.659 -1.344 1.00 0.72 H new ATOM 0 HB2 MET A 59 -7.752 14.691 -0.088 1.00 0.88 H new ATOM 0 HB3 MET A 59 -6.112 14.266 -0.538 1.00 0.88 H new ATOM 0 HG2 MET A 59 -5.375 16.352 0.828 1.00 1.08 H new ATOM 0 HG3 MET A 59 -7.006 16.372 1.469 1.00 1.08 H new ATOM 0 HE1 MET A 59 -3.562 13.525 2.379 1.00 3.70 H new ATOM 0 HE2 MET A 59 -3.819 14.466 0.891 1.00 3.70 H new ATOM 0 HE3 MET A 59 -3.483 15.302 2.425 1.00 3.70 H new ATOM 918 N GLY A 60 -5.823 15.165 -3.351 1.00 0.53 N ATOM 919 CA GLY A 60 -5.744 14.468 -4.637 1.00 0.71 C ATOM 920 C GLY A 60 -5.040 13.121 -4.499 1.00 0.59 C ATOM 921 O GLY A 60 -4.436 12.823 -3.470 1.00 0.53 O ATOM 0 H GLY A 60 -4.903 15.353 -2.952 1.00 0.53 H new ATOM 0 HA2 GLY A 60 -6.748 14.316 -5.032 1.00 0.71 H new ATOM 0 HA3 GLY A 60 -5.209 15.088 -5.356 1.00 0.71 H new ATOM 925 N MET A 61 -5.111 12.299 -5.549 1.00 0.64 N ATOM 926 CA MET A 61 -4.511 10.968 -5.609 1.00 0.60 C ATOM 927 C MET A 61 -4.142 10.636 -7.057 1.00 0.67 C ATOM 928 O MET A 61 -4.859 11.005 -7.986 1.00 0.79 O ATOM 929 CB MET A 61 -5.511 9.981 -4.980 1.00 0.66 C ATOM 930 CG MET A 61 -5.164 8.493 -5.105 1.00 0.63 C ATOM 931 SD MET A 61 -6.484 7.300 -4.670 1.00 0.61 S ATOM 932 CE MET A 61 -7.381 8.190 -3.366 1.00 0.76 C ATOM 0 H MET A 61 -5.603 12.551 -6.406 1.00 0.64 H new ATOM 0 HA MET A 61 -3.580 10.908 -5.045 1.00 0.60 H new ATOM 0 HB2 MET A 61 -5.610 10.222 -3.922 1.00 0.66 H new ATOM 0 HB3 MET A 61 -6.487 10.145 -5.437 1.00 0.66 H new ATOM 0 HG2 MET A 61 -4.857 8.301 -6.133 1.00 0.63 H new ATOM 0 HG3 MET A 61 -4.300 8.291 -4.471 1.00 0.63 H new ATOM 0 HE1 MET A 61 -8.106 7.521 -2.902 1.00 0.76 H new ATOM 0 HE2 MET A 61 -6.675 8.539 -2.612 1.00 0.76 H new ATOM 0 HE3 MET A 61 -7.901 9.044 -3.800 1.00 0.76 H new ATOM 942 N ARG A 62 -3.013 9.956 -7.243 1.00 0.68 N ATOM 943 CA ARG A 62 -2.471 9.534 -8.546 1.00 0.74 C ATOM 944 C ARG A 62 -1.822 8.153 -8.415 1.00 0.60 C ATOM 945 O ARG A 62 -1.399 7.818 -7.307 1.00 0.52 O ATOM 946 CB ARG A 62 -1.370 10.500 -9.015 1.00 0.95 C ATOM 947 CG ARG A 62 -1.846 11.836 -9.599 1.00 1.24 C ATOM 948 CD ARG A 62 -0.706 12.525 -10.373 1.00 1.92 C ATOM 949 NE ARG A 62 0.534 12.615 -9.576 1.00 3.27 N ATOM 950 CZ ARG A 62 1.791 12.433 -9.963 1.00 4.34 C ATOM 951 NH1 ARG A 62 2.133 12.278 -11.224 1.00 4.33 N ATOM 952 NH2 ARG A 62 2.729 12.402 -9.045 1.00 5.65 N ATOM 0 H ARG A 62 -2.422 9.669 -6.463 1.00 0.68 H new ATOM 0 HA ARG A 62 -3.297 9.520 -9.258 1.00 0.74 H new ATOM 0 HB2 ARG A 62 -0.715 10.710 -8.169 1.00 0.95 H new ATOM 0 HB3 ARG A 62 -0.767 9.993 -9.768 1.00 0.95 H new ATOM 0 HG2 ARG A 62 -2.694 11.668 -10.263 1.00 1.24 H new ATOM 0 HG3 ARG A 62 -2.194 12.487 -8.797 1.00 1.24 H new ATOM 0 HD2 ARG A 62 -0.507 11.972 -11.291 1.00 1.92 H new ATOM 0 HD3 ARG A 62 -1.021 13.526 -10.666 1.00 1.92 H new ATOM 0 HE ARG A 62 0.407 12.850 -8.591 1.00 3.27 H new ATOM 0 HH11 ARG A 62 1.419 12.295 -11.952 1.00 4.33 H new ATOM 0 HH12 ARG A 62 3.112 12.141 -11.474 1.00 4.33 H new ATOM 0 HH21 ARG A 62 2.484 12.516 -8.061 1.00 5.65 H new ATOM 0 HH22 ARG A 62 3.703 12.264 -9.315 1.00 5.65 H new ATOM 966 N PRO A 63 -1.673 7.379 -9.505 1.00 0.68 N ATOM 967 CA PRO A 63 -0.767 6.247 -9.526 1.00 0.71 C ATOM 968 C PRO A 63 0.692 6.705 -9.647 1.00 0.75 C ATOM 969 O PRO A 63 0.963 7.804 -10.130 1.00 0.83 O ATOM 970 CB PRO A 63 -1.214 5.396 -10.709 1.00 0.80 C ATOM 971 CG PRO A 63 -1.690 6.452 -11.708 1.00 0.88 C ATOM 972 CD PRO A 63 -2.301 7.537 -10.811 1.00 0.82 C ATOM 0 HA PRO A 63 -0.803 5.673 -8.600 1.00 0.71 H new ATOM 0 HB2 PRO A 63 -0.397 4.796 -11.110 1.00 0.80 H new ATOM 0 HB3 PRO A 63 -2.012 4.706 -10.435 1.00 0.80 H new ATOM 0 HG2 PRO A 63 -0.865 6.841 -12.305 1.00 0.88 H new ATOM 0 HG3 PRO A 63 -2.424 6.045 -12.404 1.00 0.88 H new ATOM 0 HD2 PRO A 63 -2.112 8.531 -11.217 1.00 0.82 H new ATOM 0 HD3 PRO A 63 -3.383 7.422 -10.740 1.00 0.82 H new ATOM 980 N VAL A 64 1.619 5.846 -9.213 1.00 0.73 N ATOM 981 CA VAL A 64 3.080 6.030 -9.298 1.00 0.72 C ATOM 982 C VAL A 64 3.741 4.698 -9.701 1.00 0.68 C ATOM 983 O VAL A 64 3.151 3.648 -9.449 1.00 0.67 O ATOM 984 CB VAL A 64 3.686 6.580 -7.981 1.00 0.72 C ATOM 985 CG1 VAL A 64 3.186 7.996 -7.692 1.00 0.74 C ATOM 986 CG2 VAL A 64 3.437 5.682 -6.761 1.00 0.79 C ATOM 0 H VAL A 64 1.365 4.962 -8.772 1.00 0.73 H new ATOM 0 HA VAL A 64 3.282 6.781 -10.062 1.00 0.72 H new ATOM 0 HB VAL A 64 4.763 6.597 -8.145 1.00 0.72 H new ATOM 0 HG11 VAL A 64 3.628 8.355 -6.763 1.00 0.74 H new ATOM 0 HG12 VAL A 64 3.473 8.657 -8.510 1.00 0.74 H new ATOM 0 HG13 VAL A 64 2.100 7.986 -7.598 1.00 0.74 H new ATOM 0 HG21 VAL A 64 3.891 6.133 -5.879 1.00 0.79 H new ATOM 0 HG22 VAL A 64 2.364 5.573 -6.602 1.00 0.79 H new ATOM 0 HG23 VAL A 64 3.879 4.701 -6.935 1.00 0.79 H new ATOM 996 N PRO A 65 4.927 4.706 -10.351 1.00 0.68 N ATOM 997 CA PRO A 65 5.449 3.544 -11.068 1.00 0.61 C ATOM 998 C PRO A 65 6.201 2.554 -10.176 1.00 0.56 C ATOM 999 O PRO A 65 6.301 1.390 -10.546 1.00 0.55 O ATOM 1000 CB PRO A 65 6.364 4.135 -12.146 1.00 0.62 C ATOM 1001 CG PRO A 65 6.937 5.376 -11.468 1.00 0.67 C ATOM 1002 CD PRO A 65 5.776 5.864 -10.601 1.00 0.74 C ATOM 0 HA PRO A 65 4.634 2.949 -11.480 1.00 0.61 H new ATOM 0 HB2 PRO A 65 7.148 3.436 -12.437 1.00 0.62 H new ATOM 0 HB3 PRO A 65 5.811 4.388 -13.050 1.00 0.62 H new ATOM 0 HG2 PRO A 65 7.816 5.138 -10.869 1.00 0.67 H new ATOM 0 HG3 PRO A 65 7.241 6.129 -12.195 1.00 0.67 H new ATOM 0 HD2 PRO A 65 6.142 6.285 -9.665 1.00 0.74 H new ATOM 0 HD3 PRO A 65 5.218 6.651 -11.108 1.00 0.74 H new ATOM 1010 N PHE A 66 6.716 3.008 -9.025 1.00 0.56 N ATOM 1011 CA PHE A 66 7.479 2.210 -8.051 1.00 0.55 C ATOM 1012 C PHE A 66 7.914 3.048 -6.839 1.00 0.68 C ATOM 1013 O PHE A 66 7.945 4.279 -6.895 1.00 0.78 O ATOM 1014 CB PHE A 66 8.721 1.552 -8.690 1.00 0.53 C ATOM 1015 CG PHE A 66 9.755 2.538 -9.167 1.00 0.57 C ATOM 1016 CD1 PHE A 66 10.737 3.002 -8.278 1.00 1.99 C ATOM 1017 CD2 PHE A 66 9.701 3.026 -10.478 1.00 1.76 C ATOM 1018 CE1 PHE A 66 11.631 4.005 -8.671 1.00 2.03 C ATOM 1019 CE2 PHE A 66 10.623 4.007 -10.896 1.00 1.76 C ATOM 1020 CZ PHE A 66 11.581 4.504 -9.988 1.00 0.69 C ATOM 0 H PHE A 66 6.609 3.980 -8.734 1.00 0.56 H new ATOM 0 HA PHE A 66 6.803 1.425 -7.711 1.00 0.55 H new ATOM 0 HB2 PHE A 66 9.180 0.882 -7.963 1.00 0.53 H new ATOM 0 HB3 PHE A 66 8.402 0.938 -9.532 1.00 0.53 H new ATOM 0 HD1 PHE A 66 10.803 2.583 -7.285 1.00 1.99 H new ATOM 0 HD2 PHE A 66 8.957 2.653 -11.166 1.00 1.76 H new ATOM 0 HE1 PHE A 66 12.354 4.394 -7.970 1.00 2.03 H new ATOM 0 HE2 PHE A 66 10.596 4.377 -11.910 1.00 1.76 H new ATOM 0 HZ PHE A 66 12.277 5.268 -10.302 1.00 0.69 H new ATOM 1030 N LEU A 67 8.343 2.359 -5.777 1.00 0.71 N ATOM 1031 CA LEU A 67 9.104 2.904 -4.651 1.00 0.84 C ATOM 1032 C LEU A 67 10.538 2.347 -4.659 1.00 0.88 C ATOM 1033 O LEU A 67 10.772 1.248 -5.159 1.00 0.84 O ATOM 1034 CB LEU A 67 8.423 2.541 -3.314 1.00 0.89 C ATOM 1035 CG LEU A 67 6.905 2.778 -3.196 1.00 0.88 C ATOM 1036 CD1 LEU A 67 6.520 2.632 -1.718 1.00 0.94 C ATOM 1037 CD2 LEU A 67 6.428 4.149 -3.675 1.00 0.86 C ATOM 0 H LEU A 67 8.160 1.361 -5.675 1.00 0.71 H new ATOM 0 HA LEU A 67 9.136 3.989 -4.754 1.00 0.84 H new ATOM 0 HB2 LEU A 67 8.614 1.486 -3.116 1.00 0.89 H new ATOM 0 HB3 LEU A 67 8.914 3.108 -2.523 1.00 0.89 H new ATOM 0 HG LEU A 67 6.427 2.044 -3.845 1.00 0.88 H new ATOM 0 HD11 LEU A 67 5.448 2.795 -1.603 1.00 0.94 H new ATOM 0 HD12 LEU A 67 6.774 1.630 -1.373 1.00 0.94 H new ATOM 0 HD13 LEU A 67 7.064 3.368 -1.126 1.00 0.94 H new ATOM 0 HD21 LEU A 67 5.347 4.221 -3.553 1.00 0.86 H new ATOM 0 HD22 LEU A 67 6.913 4.929 -3.087 1.00 0.86 H new ATOM 0 HD23 LEU A 67 6.683 4.276 -4.727 1.00 0.86 H new ATOM 1049 N GLU A 68 11.476 3.079 -4.064 1.00 1.00 N ATOM 1050 CA GLU A 68 12.864 2.650 -3.861 1.00 1.08 C ATOM 1051 C GLU A 68 13.143 2.540 -2.361 1.00 1.19 C ATOM 1052 O GLU A 68 12.629 3.354 -1.597 1.00 1.27 O ATOM 1053 CB GLU A 68 13.818 3.689 -4.481 1.00 1.20 C ATOM 1054 CG GLU A 68 15.304 3.289 -4.418 1.00 1.29 C ATOM 1055 CD GLU A 68 15.703 2.277 -5.502 1.00 1.45 C ATOM 1056 OE1 GLU A 68 14.820 1.567 -6.036 1.00 2.30 O ATOM 1057 OE2 GLU A 68 16.893 2.248 -5.885 1.00 2.23 O ATOM 0 H GLU A 68 11.290 4.013 -3.698 1.00 1.00 H new ATOM 0 HA GLU A 68 13.020 1.682 -4.337 1.00 1.08 H new ATOM 0 HB2 GLU A 68 13.539 3.848 -5.523 1.00 1.20 H new ATOM 0 HB3 GLU A 68 13.686 4.641 -3.967 1.00 1.20 H new ATOM 0 HG2 GLU A 68 15.919 4.183 -4.520 1.00 1.29 H new ATOM 0 HG3 GLU A 68 15.518 2.865 -3.437 1.00 1.29 H new ATOM 1064 N VAL A 69 13.992 1.589 -1.943 1.00 1.23 N ATOM 1065 CA VAL A 69 14.496 1.520 -0.562 1.00 1.33 C ATOM 1066 C VAL A 69 15.987 1.131 -0.480 1.00 1.38 C ATOM 1067 O VAL A 69 16.365 0.073 -0.993 1.00 1.40 O ATOM 1068 CB VAL A 69 13.652 0.556 0.314 1.00 1.34 C ATOM 1069 CG1 VAL A 69 14.026 0.655 1.805 1.00 1.34 C ATOM 1070 CG2 VAL A 69 12.137 0.787 0.184 1.00 1.41 C ATOM 0 H VAL A 69 14.347 0.849 -2.549 1.00 1.23 H new ATOM 0 HA VAL A 69 14.398 2.532 -0.169 1.00 1.33 H new ATOM 0 HB VAL A 69 13.888 -0.438 -0.066 1.00 1.34 H new ATOM 0 HG11 VAL A 69 13.411 -0.036 2.381 1.00 1.34 H new ATOM 0 HG12 VAL A 69 15.078 0.399 1.934 1.00 1.34 H new ATOM 0 HG13 VAL A 69 13.854 1.672 2.156 1.00 1.34 H new ATOM 0 HG21 VAL A 69 11.605 0.081 0.822 1.00 1.41 H new ATOM 0 HG22 VAL A 69 11.897 1.805 0.491 1.00 1.41 H new ATOM 0 HG23 VAL A 69 11.834 0.639 -0.853 1.00 1.41 H new ATOM 1080 N PRO A 70 16.843 1.936 0.188 1.00 1.42 N ATOM 1081 CA PRO A 70 18.274 1.668 0.330 1.00 1.47 C ATOM 1082 C PRO A 70 18.555 0.550 1.356 1.00 1.42 C ATOM 1083 O PRO A 70 17.706 0.285 2.207 1.00 1.36 O ATOM 1084 CB PRO A 70 18.888 3.000 0.775 1.00 1.52 C ATOM 1085 CG PRO A 70 17.769 3.641 1.590 1.00 1.50 C ATOM 1086 CD PRO A 70 16.515 3.203 0.836 1.00 1.45 C ATOM 0 HA PRO A 70 18.705 1.311 -0.605 1.00 1.47 H new ATOM 0 HB2 PRO A 70 19.787 2.850 1.373 1.00 1.52 H new ATOM 0 HB3 PRO A 70 19.171 3.618 -0.077 1.00 1.52 H new ATOM 0 HG2 PRO A 70 17.766 3.289 2.621 1.00 1.50 H new ATOM 0 HG3 PRO A 70 17.863 4.726 1.624 1.00 1.50 H new ATOM 0 HD2 PRO A 70 15.674 3.083 1.519 1.00 1.45 H new ATOM 0 HD3 PRO A 70 16.224 3.952 0.099 1.00 1.45 H new ATOM 1094 N PRO A 71 19.737 -0.098 1.304 1.00 1.49 N ATOM 1095 CA PRO A 71 20.107 -1.194 2.199 1.00 1.49 C ATOM 1096 C PRO A 71 20.179 -0.758 3.665 1.00 1.54 C ATOM 1097 O PRO A 71 20.653 0.336 3.964 1.00 1.69 O ATOM 1098 CB PRO A 71 21.450 -1.708 1.683 1.00 1.61 C ATOM 1099 CG PRO A 71 22.046 -0.528 0.926 1.00 1.67 C ATOM 1100 CD PRO A 71 20.813 0.164 0.357 1.00 1.57 C ATOM 0 HA PRO A 71 19.350 -1.978 2.190 1.00 1.49 H new ATOM 0 HB2 PRO A 71 22.097 -2.021 2.503 1.00 1.61 H new ATOM 0 HB3 PRO A 71 21.320 -2.572 1.032 1.00 1.61 H new ATOM 0 HG2 PRO A 71 22.612 0.131 1.584 1.00 1.67 H new ATOM 0 HG3 PRO A 71 22.726 -0.854 0.139 1.00 1.67 H new ATOM 0 HD2 PRO A 71 20.983 1.235 0.245 1.00 1.57 H new ATOM 0 HD3 PRO A 71 20.567 -0.225 -0.631 1.00 1.57 H new ATOM 1108 N LYS A 72 19.657 -1.612 4.559 1.00 1.43 N ATOM 1109 CA LYS A 72 19.496 -1.426 6.020 1.00 1.46 C ATOM 1110 C LYS A 72 18.493 -0.320 6.408 1.00 1.45 C ATOM 1111 O LYS A 72 18.177 -0.156 7.583 1.00 1.54 O ATOM 1112 CB LYS A 72 20.862 -1.213 6.702 1.00 1.63 C ATOM 1113 CG LYS A 72 21.688 -2.485 6.932 1.00 1.97 C ATOM 1114 CD LYS A 72 21.703 -3.510 5.792 1.00 1.75 C ATOM 1115 CE LYS A 72 22.711 -4.630 6.057 1.00 2.04 C ATOM 1116 NZ LYS A 72 22.581 -5.688 5.035 1.00 2.45 N ATOM 0 H LYS A 72 19.308 -2.523 4.262 1.00 1.43 H new ATOM 0 HA LYS A 72 19.058 -2.353 6.391 1.00 1.46 H new ATOM 0 HB2 LYS A 72 21.449 -0.524 6.095 1.00 1.63 H new ATOM 0 HB3 LYS A 72 20.697 -0.728 7.664 1.00 1.63 H new ATOM 0 HG2 LYS A 72 22.717 -2.190 7.138 1.00 1.97 H new ATOM 0 HG3 LYS A 72 21.312 -2.978 7.828 1.00 1.97 H new ATOM 0 HD2 LYS A 72 20.707 -3.937 5.672 1.00 1.75 H new ATOM 0 HD3 LYS A 72 21.951 -3.010 4.856 1.00 1.75 H new ATOM 0 HE2 LYS A 72 23.724 -4.227 6.047 1.00 2.04 H new ATOM 0 HE3 LYS A 72 22.545 -5.051 7.049 1.00 2.04 H new ATOM 0 HZ1 LYS A 72 23.336 -6.391 5.166 1.00 2.45 H new ATOM 0 HZ2 LYS A 72 21.655 -6.152 5.131 1.00 2.45 H new ATOM 0 HZ3 LYS A 72 22.660 -5.267 4.087 1.00 2.45 H new ATOM 1130 N GLY A 73 17.995 0.424 5.421 1.00 1.45 N ATOM 1131 CA GLY A 73 16.975 1.470 5.565 1.00 1.52 C ATOM 1132 C GLY A 73 15.551 0.926 5.436 1.00 1.41 C ATOM 1133 O GLY A 73 15.341 -0.192 4.961 1.00 1.37 O ATOM 0 H GLY A 73 18.303 0.311 4.455 1.00 1.45 H new ATOM 0 HA2 GLY A 73 17.089 1.952 6.536 1.00 1.52 H new ATOM 0 HA3 GLY A 73 17.137 2.237 4.807 1.00 1.52 H new ATOM 1137 N ARG A 74 14.568 1.754 5.809 1.00 1.54 N ATOM 1138 CA ARG A 74 13.139 1.450 5.674 1.00 1.54 C ATOM 1139 C ARG A 74 12.328 2.591 5.063 1.00 1.74 C ATOM 1140 O ARG A 74 12.715 3.756 5.143 1.00 2.14 O ATOM 1141 CB ARG A 74 12.529 1.033 7.026 1.00 1.69 C ATOM 1142 CG ARG A 74 12.635 2.086 8.147 1.00 1.95 C ATOM 1143 CD ARG A 74 11.658 1.820 9.285 1.00 1.88 C ATOM 1144 NE ARG A 74 11.764 0.449 9.800 1.00 2.70 N ATOM 1145 CZ ARG A 74 10.782 -0.292 10.291 1.00 3.33 C ATOM 1146 NH1 ARG A 74 9.558 0.174 10.453 1.00 3.35 N ATOM 1147 NH2 ARG A 74 11.027 -1.540 10.619 1.00 4.57 N ATOM 0 H ARG A 74 14.747 2.670 6.220 1.00 1.54 H new ATOM 0 HA ARG A 74 13.081 0.614 4.977 1.00 1.54 H new ATOM 0 HB2 ARG A 74 11.477 0.793 6.873 1.00 1.69 H new ATOM 0 HB3 ARG A 74 13.019 0.119 7.361 1.00 1.69 H new ATOM 0 HG2 ARG A 74 13.652 2.095 8.539 1.00 1.95 H new ATOM 0 HG3 ARG A 74 12.445 3.076 7.732 1.00 1.95 H new ATOM 0 HD2 ARG A 74 11.845 2.526 10.094 1.00 1.88 H new ATOM 0 HD3 ARG A 74 10.641 1.997 8.937 1.00 1.88 H new ATOM 0 HE ARG A 74 12.690 0.023 9.777 1.00 2.70 H new ATOM 0 HH11 ARG A 74 9.341 1.137 10.197 1.00 3.35 H new ATOM 0 HH12 ARG A 74 8.829 -0.429 10.835 1.00 3.35 H new ATOM 0 HH21 ARG A 74 11.963 -1.926 10.494 1.00 4.57 H new ATOM 0 HH22 ARG A 74 10.281 -2.123 10.998 1.00 4.57 H new ATOM 1161 N VAL A 75 11.176 2.226 4.507 1.00 1.65 N ATOM 1162 CA VAL A 75 10.113 3.094 3.973 1.00 2.00 C ATOM 1163 C VAL A 75 8.779 2.398 4.254 1.00 1.60 C ATOM 1164 O VAL A 75 8.668 1.187 4.110 1.00 1.71 O ATOM 1165 CB VAL A 75 10.276 3.345 2.450 1.00 2.71 C ATOM 1166 CG1 VAL A 75 9.096 4.143 1.864 1.00 3.17 C ATOM 1167 CG2 VAL A 75 11.570 4.121 2.140 1.00 3.30 C ATOM 0 H VAL A 75 10.936 1.240 4.407 1.00 1.65 H new ATOM 0 HA VAL A 75 10.162 4.071 4.454 1.00 2.00 H new ATOM 0 HB VAL A 75 10.312 2.357 1.991 1.00 2.71 H new ATOM 0 HG11 VAL A 75 9.254 4.294 0.796 1.00 3.17 H new ATOM 0 HG12 VAL A 75 8.170 3.590 2.019 1.00 3.17 H new ATOM 0 HG13 VAL A 75 9.028 5.110 2.362 1.00 3.17 H new ATOM 0 HG21 VAL A 75 11.651 4.279 1.064 1.00 3.30 H new ATOM 0 HG22 VAL A 75 11.546 5.085 2.647 1.00 3.30 H new ATOM 0 HG23 VAL A 75 12.430 3.549 2.489 1.00 3.30 H new ATOM 1177 N GLU A 76 7.756 3.141 4.666 1.00 1.42 N ATOM 1178 CA GLU A 76 6.474 2.594 5.090 1.00 1.12 C ATOM 1179 C GLU A 76 5.362 3.471 4.510 1.00 1.00 C ATOM 1180 O GLU A 76 5.449 4.698 4.600 1.00 1.32 O ATOM 1181 CB GLU A 76 6.361 2.569 6.628 1.00 1.54 C ATOM 1182 CG GLU A 76 7.657 2.459 7.472 1.00 2.33 C ATOM 1183 CD GLU A 76 7.593 3.192 8.812 1.00 2.74 C ATOM 1184 OE1 GLU A 76 6.958 4.282 8.845 1.00 2.80 O ATOM 1185 OE2 GLU A 76 8.284 2.704 9.739 1.00 4.03 O ATOM 0 H GLU A 76 7.797 4.159 4.715 1.00 1.42 H new ATOM 0 HA GLU A 76 6.386 1.569 4.730 1.00 1.12 H new ATOM 0 HB2 GLU A 76 5.843 3.478 6.935 1.00 1.54 H new ATOM 0 HB3 GLU A 76 5.720 1.730 6.898 1.00 1.54 H new ATOM 0 HG2 GLU A 76 7.870 1.406 7.656 1.00 2.33 H new ATOM 0 HG3 GLU A 76 8.490 2.856 6.892 1.00 2.33 H new ATOM 1192 N LEU A 77 4.324 2.856 3.942 1.00 0.81 N ATOM 1193 CA LEU A 77 3.170 3.531 3.333 1.00 0.93 C ATOM 1194 C LEU A 77 2.176 4.044 4.416 1.00 1.31 C ATOM 1195 O LEU A 77 2.230 3.613 5.564 1.00 2.69 O ATOM 1196 CB LEU A 77 2.561 2.557 2.292 1.00 0.76 C ATOM 1197 CG LEU A 77 3.447 2.311 1.034 1.00 0.91 C ATOM 1198 CD1 LEU A 77 4.423 1.125 1.159 1.00 0.77 C ATOM 1199 CD2 LEU A 77 2.568 2.028 -0.191 1.00 1.27 C ATOM 0 H LEU A 77 4.258 1.839 3.890 1.00 0.81 H new ATOM 0 HA LEU A 77 3.464 4.439 2.808 1.00 0.93 H new ATOM 0 HB2 LEU A 77 2.370 1.600 2.778 1.00 0.76 H new ATOM 0 HB3 LEU A 77 1.596 2.948 1.969 1.00 0.76 H new ATOM 0 HG LEU A 77 4.031 3.226 0.931 1.00 0.91 H new ATOM 0 HD11 LEU A 77 4.998 1.028 0.238 1.00 0.77 H new ATOM 0 HD12 LEU A 77 5.102 1.299 1.994 1.00 0.77 H new ATOM 0 HD13 LEU A 77 3.861 0.208 1.333 1.00 0.77 H new ATOM 0 HD21 LEU A 77 3.201 1.858 -1.062 1.00 1.27 H new ATOM 0 HD22 LEU A 77 1.960 1.142 -0.006 1.00 1.27 H new ATOM 0 HD23 LEU A 77 1.917 2.882 -0.377 1.00 1.27 H new ATOM 1211 N LYS A 78 1.269 4.982 4.095 1.00 1.25 N ATOM 1212 CA LYS A 78 0.302 5.572 5.058 1.00 1.62 C ATOM 1213 C LYS A 78 -0.897 6.318 4.412 1.00 1.35 C ATOM 1214 O LYS A 78 -0.753 6.828 3.301 1.00 1.06 O ATOM 1215 CB LYS A 78 1.002 6.464 6.117 1.00 2.19 C ATOM 1216 CG LYS A 78 2.075 7.475 5.652 1.00 1.85 C ATOM 1217 CD LYS A 78 3.536 6.974 5.733 1.00 2.39 C ATOM 1218 CE LYS A 78 3.932 6.263 7.054 1.00 3.94 C ATOM 1219 NZ LYS A 78 5.385 5.943 7.133 1.00 4.26 N ATOM 0 H LYS A 78 1.179 5.361 3.152 1.00 1.25 H new ATOM 0 HA LYS A 78 -0.131 4.706 5.559 1.00 1.62 H new ATOM 0 HB2 LYS A 78 0.227 7.024 6.640 1.00 2.19 H new ATOM 0 HB3 LYS A 78 1.467 5.803 6.849 1.00 2.19 H new ATOM 0 HG2 LYS A 78 1.862 7.757 4.621 1.00 1.85 H new ATOM 0 HG3 LYS A 78 1.984 8.379 6.255 1.00 1.85 H new ATOM 0 HD2 LYS A 78 3.711 6.287 4.905 1.00 2.39 H new ATOM 0 HD3 LYS A 78 4.201 7.825 5.587 1.00 2.39 H new ATOM 0 HE2 LYS A 78 3.660 6.898 7.897 1.00 3.94 H new ATOM 0 HE3 LYS A 78 3.357 5.342 7.150 1.00 3.94 H new ATOM 0 HZ1 LYS A 78 5.558 5.311 7.941 1.00 4.26 H new ATOM 0 HZ2 LYS A 78 5.685 5.473 6.255 1.00 4.26 H new ATOM 0 HZ3 LYS A 78 5.928 6.821 7.258 1.00 4.26 H new ATOM 1233 N PRO A 79 -2.067 6.431 5.091 1.00 1.66 N ATOM 1234 CA PRO A 79 -3.300 7.020 4.540 1.00 1.79 C ATOM 1235 C PRO A 79 -3.178 8.475 4.090 1.00 1.59 C ATOM 1236 O PRO A 79 -3.724 8.814 3.043 1.00 2.45 O ATOM 1237 CB PRO A 79 -4.371 6.875 5.630 1.00 2.27 C ATOM 1238 CG PRO A 79 -3.572 6.661 6.910 1.00 2.30 C ATOM 1239 CD PRO A 79 -2.364 5.876 6.406 1.00 2.17 C ATOM 0 HA PRO A 79 -3.554 6.488 3.623 1.00 1.79 H new ATOM 0 HB2 PRO A 79 -4.997 7.765 5.695 1.00 2.27 H new ATOM 0 HB3 PRO A 79 -5.034 6.033 5.428 1.00 2.27 H new ATOM 0 HG2 PRO A 79 -3.281 7.605 7.371 1.00 2.30 H new ATOM 0 HG3 PRO A 79 -4.138 6.103 7.656 1.00 2.30 H new ATOM 0 HD2 PRO A 79 -1.515 5.985 7.080 1.00 2.17 H new ATOM 0 HD3 PRO A 79 -2.586 4.811 6.343 1.00 2.17 H new ATOM 1247 N GLY A 80 -2.440 9.320 4.824 1.00 1.21 N ATOM 1248 CA GLY A 80 -2.187 10.713 4.420 1.00 1.26 C ATOM 1249 C GLY A 80 -1.202 10.865 3.254 1.00 1.17 C ATOM 1250 O GLY A 80 -0.763 11.977 2.983 1.00 1.64 O ATOM 0 H GLY A 80 -2.004 9.061 5.709 1.00 1.21 H new ATOM 0 HA2 GLY A 80 -3.134 11.176 4.142 1.00 1.26 H new ATOM 0 HA3 GLY A 80 -1.803 11.264 5.279 1.00 1.26 H new ATOM 1254 N GLY A 81 -0.828 9.764 2.590 1.00 0.89 N ATOM 1255 CA GLY A 81 0.149 9.734 1.503 1.00 0.80 C ATOM 1256 C GLY A 81 0.130 8.459 0.677 1.00 0.90 C ATOM 1257 O GLY A 81 -0.910 7.983 0.230 1.00 1.78 O ATOM 0 H GLY A 81 -1.211 8.843 2.804 1.00 0.89 H new ATOM 0 HA2 GLY A 81 -0.033 10.582 0.843 1.00 0.80 H new ATOM 0 HA3 GLY A 81 1.146 9.865 1.923 1.00 0.80 H new ATOM 1261 N TYR A 82 1.313 7.898 0.434 1.00 0.72 N ATOM 1262 CA TYR A 82 1.462 6.814 -0.534 1.00 0.74 C ATOM 1263 C TYR A 82 0.883 5.508 -0.003 1.00 0.74 C ATOM 1264 O TYR A 82 1.000 5.180 1.177 1.00 0.84 O ATOM 1265 CB TYR A 82 2.926 6.605 -0.906 1.00 0.93 C ATOM 1266 CG TYR A 82 3.523 7.574 -1.911 1.00 0.92 C ATOM 1267 CD1 TYR A 82 3.128 8.923 -2.016 1.00 2.20 C ATOM 1268 CD2 TYR A 82 4.475 7.071 -2.806 1.00 1.81 C ATOM 1269 CE1 TYR A 82 3.686 9.748 -3.011 1.00 2.17 C ATOM 1270 CE2 TYR A 82 4.999 7.870 -3.832 1.00 2.02 C ATOM 1271 CZ TYR A 82 4.579 9.211 -3.963 1.00 1.25 C ATOM 1272 OH TYR A 82 4.948 9.934 -5.056 1.00 1.66 O ATOM 0 H TYR A 82 2.180 8.176 0.893 1.00 0.72 H new ATOM 0 HA TYR A 82 0.907 7.107 -1.425 1.00 0.74 H new ATOM 0 HB2 TYR A 82 3.519 6.655 0.007 1.00 0.93 H new ATOM 0 HB3 TYR A 82 3.035 5.595 -1.302 1.00 0.93 H new ATOM 0 HD1 TYR A 82 2.396 9.325 -1.332 1.00 2.20 H new ATOM 0 HD2 TYR A 82 4.812 6.050 -2.704 1.00 1.81 H new ATOM 0 HE1 TYR A 82 3.430 10.797 -3.046 1.00 2.17 H new ATOM 0 HE2 TYR A 82 5.723 7.460 -4.521 1.00 2.02 H new ATOM 0 HH TYR A 82 4.154 10.335 -5.466 1.00 1.66 H new ATOM 1282 N HIS A 83 0.218 4.792 -0.895 1.00 0.70 N ATOM 1283 CA HIS A 83 -0.605 3.616 -0.589 1.00 0.69 C ATOM 1284 C HIS A 83 -0.858 2.751 -1.834 1.00 0.67 C ATOM 1285 O HIS A 83 -0.850 3.260 -2.953 1.00 0.71 O ATOM 1286 CB HIS A 83 -1.911 4.074 0.070 1.00 0.73 C ATOM 1287 CG HIS A 83 -2.813 4.862 -0.840 1.00 0.66 C ATOM 1288 ND1 HIS A 83 -2.683 6.193 -1.171 1.00 0.65 N ATOM 1289 CD2 HIS A 83 -3.831 4.352 -1.599 1.00 0.63 C ATOM 1290 CE1 HIS A 83 -3.564 6.463 -2.145 1.00 0.59 C ATOM 1291 NE2 HIS A 83 -4.300 5.376 -2.416 1.00 0.59 N ATOM 0 H HIS A 83 0.232 5.016 -1.890 1.00 0.70 H new ATOM 0 HA HIS A 83 -0.064 2.978 0.110 1.00 0.69 H new ATOM 0 HB2 HIS A 83 -2.451 3.198 0.430 1.00 0.73 H new ATOM 0 HB3 HIS A 83 -1.672 4.682 0.943 1.00 0.73 H new ATOM 0 HD1 HIS A 83 -2.032 6.856 -0.750 1.00 0.65 H new ATOM 0 HD2 HIS A 83 -4.203 3.339 -1.569 1.00 0.63 H new ATOM 0 HE1 HIS A 83 -3.666 7.418 -2.639 1.00 0.59 H new ATOM 1299 N PHE A 84 -1.180 1.471 -1.655 1.00 0.65 N ATOM 1300 CA PHE A 84 -1.726 0.647 -2.735 1.00 0.66 C ATOM 1301 C PHE A 84 -3.252 0.830 -2.807 1.00 0.66 C ATOM 1302 O PHE A 84 -3.900 0.959 -1.771 1.00 0.73 O ATOM 1303 CB PHE A 84 -1.382 -0.826 -2.491 1.00 0.69 C ATOM 1304 CG PHE A 84 0.094 -1.127 -2.640 1.00 0.71 C ATOM 1305 CD1 PHE A 84 0.618 -1.466 -3.902 1.00 2.09 C ATOM 1306 CD2 PHE A 84 0.949 -1.034 -1.529 1.00 2.21 C ATOM 1307 CE1 PHE A 84 1.990 -1.732 -4.044 1.00 2.09 C ATOM 1308 CE2 PHE A 84 2.326 -1.275 -1.677 1.00 2.25 C ATOM 1309 CZ PHE A 84 2.845 -1.628 -2.931 1.00 0.82 C ATOM 0 H PHE A 84 -1.072 0.979 -0.768 1.00 0.65 H new ATOM 0 HA PHE A 84 -1.286 0.959 -3.683 1.00 0.66 H new ATOM 0 HB2 PHE A 84 -1.704 -1.106 -1.488 1.00 0.69 H new ATOM 0 HB3 PHE A 84 -1.945 -1.444 -3.190 1.00 0.69 H new ATOM 0 HD1 PHE A 84 -0.035 -1.522 -4.761 1.00 2.09 H new ATOM 0 HD2 PHE A 84 0.548 -0.777 -0.560 1.00 2.21 H new ATOM 0 HE1 PHE A 84 2.388 -2.016 -5.007 1.00 2.09 H new ATOM 0 HE2 PHE A 84 2.984 -1.188 -0.825 1.00 2.25 H new ATOM 0 HZ PHE A 84 3.902 -1.820 -3.043 1.00 0.82 H new ATOM 1319 N MET A 85 -3.840 0.764 -4.000 1.00 0.59 N ATOM 1320 CA MET A 85 -5.274 0.532 -4.231 1.00 0.57 C ATOM 1321 C MET A 85 -5.482 -0.950 -4.549 1.00 0.55 C ATOM 1322 O MET A 85 -4.739 -1.494 -5.358 1.00 0.60 O ATOM 1323 CB MET A 85 -5.785 1.383 -5.397 1.00 0.61 C ATOM 1324 CG MET A 85 -7.156 1.996 -5.084 1.00 0.67 C ATOM 1325 SD MET A 85 -7.128 3.288 -3.803 1.00 0.59 S ATOM 1326 CE MET A 85 -8.908 3.403 -3.465 1.00 0.61 C ATOM 0 H MET A 85 -3.316 0.874 -4.868 1.00 0.59 H new ATOM 0 HA MET A 85 -5.830 0.813 -3.337 1.00 0.57 H new ATOM 0 HB2 MET A 85 -5.070 2.177 -5.610 1.00 0.61 H new ATOM 0 HB3 MET A 85 -5.856 0.768 -6.294 1.00 0.61 H new ATOM 0 HG2 MET A 85 -7.569 2.419 -6.000 1.00 0.67 H new ATOM 0 HG3 MET A 85 -7.832 1.202 -4.767 1.00 0.67 H new ATOM 0 HE1 MET A 85 -9.084 4.155 -2.696 1.00 0.61 H new ATOM 0 HE2 MET A 85 -9.434 3.687 -4.377 1.00 0.61 H new ATOM 0 HE3 MET A 85 -9.276 2.437 -3.120 1.00 0.61 H new ATOM 1336 N LEU A 86 -6.482 -1.595 -3.954 1.00 0.54 N ATOM 1337 CA LEU A 86 -6.811 -3.011 -4.174 1.00 0.55 C ATOM 1338 C LEU A 86 -8.133 -3.116 -4.945 1.00 0.57 C ATOM 1339 O LEU A 86 -9.065 -2.359 -4.660 1.00 0.74 O ATOM 1340 CB LEU A 86 -6.944 -3.719 -2.813 1.00 0.55 C ATOM 1341 CG LEU A 86 -5.640 -4.132 -2.100 1.00 0.56 C ATOM 1342 CD1 LEU A 86 -4.678 -2.976 -1.796 1.00 0.58 C ATOM 1343 CD2 LEU A 86 -6.013 -4.809 -0.770 1.00 0.62 C ATOM 0 H LEU A 86 -7.106 -1.140 -3.287 1.00 0.54 H new ATOM 0 HA LEU A 86 -6.020 -3.486 -4.754 1.00 0.55 H new ATOM 0 HB2 LEU A 86 -7.501 -3.063 -2.144 1.00 0.55 H new ATOM 0 HB3 LEU A 86 -7.548 -4.615 -2.956 1.00 0.55 H new ATOM 0 HG LEU A 86 -5.114 -4.796 -2.786 1.00 0.56 H new ATOM 0 HD11 LEU A 86 -3.791 -3.363 -1.295 1.00 0.58 H new ATOM 0 HD12 LEU A 86 -4.386 -2.491 -2.728 1.00 0.58 H new ATOM 0 HD13 LEU A 86 -5.173 -2.251 -1.149 1.00 0.58 H new ATOM 0 HD21 LEU A 86 -5.105 -5.110 -0.248 1.00 0.62 H new ATOM 0 HD22 LEU A 86 -6.573 -4.109 -0.150 1.00 0.62 H new ATOM 0 HD23 LEU A 86 -6.626 -5.688 -0.969 1.00 0.62 H new ATOM 1355 N LEU A 87 -8.242 -4.061 -5.887 1.00 0.52 N ATOM 1356 CA LEU A 87 -9.438 -4.244 -6.714 1.00 0.59 C ATOM 1357 C LEU A 87 -9.847 -5.718 -6.869 1.00 0.54 C ATOM 1358 O LEU A 87 -9.015 -6.604 -7.084 1.00 0.54 O ATOM 1359 CB LEU A 87 -9.249 -3.606 -8.108 1.00 0.78 C ATOM 1360 CG LEU A 87 -8.976 -2.084 -8.131 1.00 1.16 C ATOM 1361 CD1 LEU A 87 -7.471 -1.754 -8.119 1.00 2.02 C ATOM 1362 CD2 LEU A 87 -9.590 -1.461 -9.394 1.00 1.72 C ATOM 0 H LEU A 87 -7.496 -4.724 -6.097 1.00 0.52 H new ATOM 0 HA LEU A 87 -10.246 -3.738 -6.186 1.00 0.59 H new ATOM 0 HB2 LEU A 87 -8.421 -4.110 -8.606 1.00 0.78 H new ATOM 0 HB3 LEU A 87 -10.144 -3.803 -8.699 1.00 0.78 H new ATOM 0 HG LEU A 87 -9.428 -1.673 -7.229 1.00 1.16 H new ATOM 0 HD11 LEU A 87 -7.335 -0.673 -8.136 1.00 2.02 H new ATOM 0 HD12 LEU A 87 -7.016 -2.163 -7.217 1.00 2.02 H new ATOM 0 HD13 LEU A 87 -6.995 -2.193 -8.996 1.00 2.02 H new ATOM 0 HD21 LEU A 87 -9.394 -0.389 -9.403 1.00 1.72 H new ATOM 0 HD22 LEU A 87 -9.146 -1.919 -10.278 1.00 1.72 H new ATOM 0 HD23 LEU A 87 -10.666 -1.633 -9.398 1.00 1.72 H new ATOM 1374 N GLY A 88 -11.161 -5.967 -6.835 1.00 0.57 N ATOM 1375 CA GLY A 88 -11.761 -7.260 -7.203 1.00 0.63 C ATOM 1376 C GLY A 88 -11.545 -8.373 -6.173 1.00 0.66 C ATOM 1377 O GLY A 88 -11.102 -9.461 -6.545 1.00 0.90 O ATOM 0 H GLY A 88 -11.848 -5.270 -6.548 1.00 0.57 H new ATOM 0 HA2 GLY A 88 -12.832 -7.121 -7.351 1.00 0.63 H new ATOM 0 HA3 GLY A 88 -11.346 -7.580 -8.159 1.00 0.63 H new ATOM 1381 N LEU A 89 -11.825 -8.091 -4.894 1.00 0.60 N ATOM 1382 CA LEU A 89 -11.619 -9.016 -3.772 1.00 0.71 C ATOM 1383 C LEU A 89 -12.297 -10.385 -3.880 1.00 0.85 C ATOM 1384 O LEU A 89 -13.357 -10.579 -4.470 1.00 1.08 O ATOM 1385 CB LEU A 89 -11.898 -8.351 -2.408 1.00 0.77 C ATOM 1386 CG LEU A 89 -13.169 -7.488 -2.261 1.00 0.94 C ATOM 1387 CD1 LEU A 89 -14.477 -8.254 -2.495 1.00 1.56 C ATOM 1388 CD2 LEU A 89 -13.174 -6.838 -0.871 1.00 1.30 C ATOM 0 H LEU A 89 -12.210 -7.192 -4.604 1.00 0.60 H new ATOM 0 HA LEU A 89 -10.556 -9.248 -3.841 1.00 0.71 H new ATOM 0 HB2 LEU A 89 -11.943 -9.139 -1.657 1.00 0.77 H new ATOM 0 HB3 LEU A 89 -11.041 -7.725 -2.162 1.00 0.77 H new ATOM 0 HG LEU A 89 -13.130 -6.732 -3.045 1.00 0.94 H new ATOM 0 HD11 LEU A 89 -15.322 -7.577 -2.373 1.00 1.56 H new ATOM 0 HD12 LEU A 89 -14.483 -8.664 -3.505 1.00 1.56 H new ATOM 0 HD13 LEU A 89 -14.557 -9.067 -1.773 1.00 1.56 H new ATOM 0 HD21 LEU A 89 -14.069 -6.226 -0.759 1.00 1.30 H new ATOM 0 HD22 LEU A 89 -13.167 -7.615 -0.106 1.00 1.30 H new ATOM 0 HD23 LEU A 89 -12.289 -6.211 -0.759 1.00 1.30 H new ATOM 1400 N LYS A 90 -11.636 -11.356 -3.253 1.00 0.90 N ATOM 1401 CA LYS A 90 -12.009 -12.778 -3.307 1.00 1.02 C ATOM 1402 C LYS A 90 -12.708 -13.268 -2.027 1.00 1.15 C ATOM 1403 O LYS A 90 -13.061 -14.443 -1.906 1.00 1.28 O ATOM 1404 CB LYS A 90 -10.760 -13.601 -3.671 1.00 0.99 C ATOM 1405 CG LYS A 90 -10.005 -13.103 -4.925 1.00 0.96 C ATOM 1406 CD LYS A 90 -10.938 -12.927 -6.131 1.00 1.35 C ATOM 1407 CE LYS A 90 -10.201 -12.539 -7.416 1.00 1.27 C ATOM 1408 NZ LYS A 90 -11.164 -12.369 -8.533 1.00 2.19 N ATOM 0 H LYS A 90 -10.810 -11.179 -2.681 1.00 0.90 H new ATOM 0 HA LYS A 90 -12.760 -12.918 -4.085 1.00 1.02 H new ATOM 0 HB2 LYS A 90 -10.075 -13.592 -2.823 1.00 0.99 H new ATOM 0 HB3 LYS A 90 -11.057 -14.638 -3.830 1.00 0.99 H new ATOM 0 HG2 LYS A 90 -9.520 -12.153 -4.701 1.00 0.96 H new ATOM 0 HG3 LYS A 90 -9.217 -13.812 -5.178 1.00 0.96 H new ATOM 0 HD2 LYS A 90 -11.482 -13.856 -6.299 1.00 1.35 H new ATOM 0 HD3 LYS A 90 -11.679 -12.161 -5.900 1.00 1.35 H new ATOM 0 HE2 LYS A 90 -9.648 -11.613 -7.260 1.00 1.27 H new ATOM 0 HE3 LYS A 90 -9.471 -13.307 -7.670 1.00 1.27 H new ATOM 0 HZ1 LYS A 90 -10.648 -12.342 -9.435 1.00 2.19 H new ATOM 0 HZ2 LYS A 90 -11.832 -13.166 -8.540 1.00 2.19 H new ATOM 0 HZ3 LYS A 90 -11.688 -11.479 -8.407 1.00 2.19 H new ATOM 1422 N ARG A 91 -12.927 -12.359 -1.070 1.00 1.23 N ATOM 1423 CA ARG A 91 -13.701 -12.529 0.166 1.00 1.38 C ATOM 1424 C ARG A 91 -14.283 -11.162 0.574 1.00 1.27 C ATOM 1425 O ARG A 91 -13.621 -10.161 0.297 1.00 1.22 O ATOM 1426 CB ARG A 91 -12.794 -12.991 1.325 1.00 1.51 C ATOM 1427 CG ARG A 91 -12.099 -14.350 1.186 1.00 2.23 C ATOM 1428 CD ARG A 91 -13.105 -15.507 1.266 1.00 3.61 C ATOM 1429 NE ARG A 91 -12.443 -16.811 1.459 1.00 4.22 N ATOM 1430 CZ ARG A 91 -11.882 -17.247 2.586 1.00 4.27 C ATOM 1431 NH1 ARG A 91 -11.847 -16.507 3.678 1.00 4.15 N ATOM 1432 NH2 ARG A 91 -11.336 -18.448 2.623 1.00 5.29 N ATOM 0 H ARG A 91 -12.541 -11.418 -1.144 1.00 1.23 H new ATOM 0 HA ARG A 91 -14.478 -13.271 -0.018 1.00 1.38 H new ATOM 0 HB2 ARG A 91 -12.024 -12.234 1.471 1.00 1.51 H new ATOM 0 HB3 ARG A 91 -13.396 -13.013 2.234 1.00 1.51 H new ATOM 0 HG2 ARG A 91 -11.568 -14.393 0.235 1.00 2.23 H new ATOM 0 HG3 ARG A 91 -11.353 -14.460 1.973 1.00 2.23 H new ATOM 0 HD2 ARG A 91 -13.797 -15.328 2.089 1.00 3.61 H new ATOM 0 HD3 ARG A 91 -13.698 -15.534 0.352 1.00 3.61 H new ATOM 0 HE ARG A 91 -12.412 -17.437 0.655 1.00 4.22 H new ATOM 0 HH11 ARG A 91 -12.257 -15.573 3.674 1.00 4.15 H new ATOM 0 HH12 ARG A 91 -11.410 -16.869 4.526 1.00 4.15 H new ATOM 0 HH21 ARG A 91 -11.345 -19.038 1.791 1.00 5.29 H new ATOM 0 HH22 ARG A 91 -10.905 -18.786 3.484 1.00 5.29 H new ATOM 1446 N PRO A 92 -15.436 -11.107 1.263 1.00 1.37 N ATOM 1447 CA PRO A 92 -15.729 -10.003 2.166 1.00 1.36 C ATOM 1448 C PRO A 92 -14.751 -10.074 3.348 1.00 1.61 C ATOM 1449 O PRO A 92 -14.232 -11.144 3.666 1.00 2.11 O ATOM 1450 CB PRO A 92 -17.180 -10.211 2.601 1.00 1.57 C ATOM 1451 CG PRO A 92 -17.318 -11.734 2.602 1.00 1.76 C ATOM 1452 CD PRO A 92 -16.403 -12.182 1.459 1.00 1.61 C ATOM 0 HA PRO A 92 -15.613 -9.019 1.712 1.00 1.36 H new ATOM 0 HB2 PRO A 92 -17.372 -9.787 3.587 1.00 1.57 H new ATOM 0 HB3 PRO A 92 -17.881 -9.742 1.910 1.00 1.57 H new ATOM 0 HG2 PRO A 92 -17.008 -12.164 3.555 1.00 1.76 H new ATOM 0 HG3 PRO A 92 -18.350 -12.043 2.434 1.00 1.76 H new ATOM 0 HD2 PRO A 92 -15.900 -13.117 1.707 1.00 1.61 H new ATOM 0 HD3 PRO A 92 -16.976 -12.360 0.549 1.00 1.61 H new ATOM 1460 N LEU A 93 -14.518 -8.938 4.000 1.00 1.59 N ATOM 1461 CA LEU A 93 -13.569 -8.754 5.080 1.00 1.81 C ATOM 1462 C LEU A 93 -14.097 -7.628 5.965 1.00 1.52 C ATOM 1463 O LEU A 93 -14.857 -6.766 5.516 1.00 1.92 O ATOM 1464 CB LEU A 93 -12.160 -8.486 4.504 1.00 2.27 C ATOM 1465 CG LEU A 93 -12.011 -7.186 3.677 1.00 1.49 C ATOM 1466 CD1 LEU A 93 -11.546 -5.996 4.532 1.00 2.48 C ATOM 1467 CD2 LEU A 93 -10.997 -7.375 2.540 1.00 1.97 C ATOM 0 H LEU A 93 -15.017 -8.078 3.772 1.00 1.59 H new ATOM 0 HA LEU A 93 -13.467 -9.649 5.694 1.00 1.81 H new ATOM 0 HB2 LEU A 93 -11.450 -8.453 5.330 1.00 2.27 H new ATOM 0 HB3 LEU A 93 -11.878 -9.330 3.875 1.00 2.27 H new ATOM 0 HG LEU A 93 -13.002 -6.970 3.277 1.00 1.49 H new ATOM 0 HD11 LEU A 93 -11.457 -5.109 3.904 1.00 2.48 H new ATOM 0 HD12 LEU A 93 -12.273 -5.810 5.322 1.00 2.48 H new ATOM 0 HD13 LEU A 93 -10.577 -6.224 4.977 1.00 2.48 H new ATOM 0 HD21 LEU A 93 -10.909 -6.448 1.973 1.00 1.97 H new ATOM 0 HD22 LEU A 93 -10.025 -7.637 2.959 1.00 1.97 H new ATOM 0 HD23 LEU A 93 -11.335 -8.174 1.880 1.00 1.97 H new ATOM 1479 N LYS A 94 -13.690 -7.636 7.223 1.00 1.18 N ATOM 1480 CA LYS A 94 -14.085 -6.640 8.219 1.00 1.13 C ATOM 1481 C LYS A 94 -12.947 -6.187 9.135 1.00 1.10 C ATOM 1482 O LYS A 94 -11.961 -6.877 9.382 1.00 1.61 O ATOM 1483 CB LYS A 94 -15.370 -7.072 8.952 1.00 1.40 C ATOM 1484 CG LYS A 94 -15.297 -8.345 9.808 1.00 1.95 C ATOM 1485 CD LYS A 94 -14.719 -8.147 11.219 1.00 3.68 C ATOM 1486 CE LYS A 94 -14.890 -9.400 12.091 1.00 4.89 C ATOM 1487 NZ LYS A 94 -13.904 -10.456 11.761 1.00 5.18 N ATOM 0 H LYS A 94 -13.062 -8.349 7.594 1.00 1.18 H new ATOM 0 HA LYS A 94 -14.333 -5.727 7.678 1.00 1.13 H new ATOM 0 HB2 LYS A 94 -15.684 -6.250 9.595 1.00 1.40 H new ATOM 0 HB3 LYS A 94 -16.153 -7.211 8.207 1.00 1.40 H new ATOM 0 HG2 LYS A 94 -16.300 -8.762 9.898 1.00 1.95 H new ATOM 0 HG3 LYS A 94 -14.690 -9.083 9.283 1.00 1.95 H new ATOM 0 HD2 LYS A 94 -13.660 -7.898 11.146 1.00 3.68 H new ATOM 0 HD3 LYS A 94 -15.213 -7.302 11.698 1.00 3.68 H new ATOM 0 HE2 LYS A 94 -14.787 -9.126 13.141 1.00 4.89 H new ATOM 0 HE3 LYS A 94 -15.898 -9.794 11.962 1.00 4.89 H new ATOM 0 HZ1 LYS A 94 -14.142 -11.327 12.277 1.00 5.18 H new ATOM 0 HZ2 LYS A 94 -13.925 -10.643 10.738 1.00 5.18 H new ATOM 0 HZ3 LYS A 94 -12.952 -10.140 12.036 1.00 5.18 H new ATOM 1501 N ALA A 95 -13.113 -4.989 9.694 1.00 1.07 N ATOM 1502 CA ALA A 95 -12.214 -4.445 10.702 1.00 1.12 C ATOM 1503 C ALA A 95 -12.226 -5.351 11.939 1.00 1.04 C ATOM 1504 O ALA A 95 -13.281 -5.614 12.512 1.00 1.39 O ATOM 1505 CB ALA A 95 -12.615 -3.005 11.022 1.00 1.59 C ATOM 0 H ALA A 95 -13.884 -4.365 9.455 1.00 1.07 H new ATOM 0 HA ALA A 95 -11.190 -4.419 10.329 1.00 1.12 H new ATOM 0 HB1 ALA A 95 -11.941 -2.599 11.777 1.00 1.59 H new ATOM 0 HB2 ALA A 95 -12.553 -2.400 10.117 1.00 1.59 H new ATOM 0 HB3 ALA A 95 -13.637 -2.987 11.401 1.00 1.59 H new ATOM 1511 N GLY A 96 -11.053 -5.869 12.291 1.00 0.89 N ATOM 1512 CA GLY A 96 -10.871 -6.950 13.272 1.00 0.99 C ATOM 1513 C GLY A 96 -10.653 -8.313 12.607 1.00 1.04 C ATOM 1514 O GLY A 96 -11.341 -9.281 12.941 1.00 1.59 O ATOM 0 H GLY A 96 -10.172 -5.543 11.893 1.00 0.89 H new ATOM 0 HA2 GLY A 96 -10.017 -6.719 13.909 1.00 0.99 H new ATOM 0 HA3 GLY A 96 -11.747 -7.001 13.919 1.00 0.99 H new ATOM 1518 N GLU A 97 -9.721 -8.340 11.649 1.00 1.15 N ATOM 1519 CA GLU A 97 -9.195 -9.479 10.878 1.00 1.11 C ATOM 1520 C GLU A 97 -7.731 -9.214 10.517 1.00 0.91 C ATOM 1521 O GLU A 97 -7.188 -8.187 10.916 1.00 0.85 O ATOM 1522 CB GLU A 97 -10.000 -9.690 9.583 1.00 1.13 C ATOM 1523 CG GLU A 97 -11.428 -10.020 9.977 1.00 1.50 C ATOM 1524 CD GLU A 97 -12.339 -10.469 8.858 1.00 1.30 C ATOM 1525 OE1 GLU A 97 -12.150 -10.014 7.716 1.00 1.83 O ATOM 1526 OE2 GLU A 97 -13.309 -11.175 9.221 1.00 2.43 O ATOM 0 H GLU A 97 -9.266 -7.473 11.362 1.00 1.15 H new ATOM 0 HA GLU A 97 -9.279 -10.376 11.491 1.00 1.11 H new ATOM 0 HB2 GLU A 97 -9.971 -8.793 8.964 1.00 1.13 H new ATOM 0 HB3 GLU A 97 -9.569 -10.499 8.992 1.00 1.13 H new ATOM 0 HG2 GLU A 97 -11.403 -10.804 10.734 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -11.867 -9.139 10.445 1.00 1.50 H new ATOM 1533 N GLU A 98 -7.114 -10.095 9.729 1.00 0.90 N ATOM 1534 CA GLU A 98 -5.749 -10.042 9.248 1.00 0.82 C ATOM 1535 C GLU A 98 -5.759 -10.621 7.837 1.00 0.77 C ATOM 1536 O GLU A 98 -6.491 -11.561 7.539 1.00 1.01 O ATOM 1537 CB GLU A 98 -4.799 -10.854 10.137 1.00 1.10 C ATOM 1538 CG GLU A 98 -4.535 -10.165 11.473 1.00 2.80 C ATOM 1539 CD GLU A 98 -3.581 -11.004 12.298 1.00 3.30 C ATOM 1540 OE1 GLU A 98 -2.375 -10.975 11.966 1.00 4.03 O ATOM 1541 OE2 GLU A 98 -4.076 -11.668 13.232 1.00 3.83 O ATOM 0 H GLU A 98 -7.600 -10.925 9.389 1.00 0.90 H new ATOM 0 HA GLU A 98 -5.390 -9.013 9.263 1.00 0.82 H new ATOM 0 HB2 GLU A 98 -5.226 -11.841 10.316 1.00 1.10 H new ATOM 0 HB3 GLU A 98 -3.854 -11.005 9.614 1.00 1.10 H new ATOM 0 HG2 GLU A 98 -4.112 -9.174 11.305 1.00 2.80 H new ATOM 0 HG3 GLU A 98 -5.472 -10.025 12.013 1.00 2.80 H new ATOM 1548 N VAL A 99 -4.976 -9.997 6.974 1.00 0.62 N ATOM 1549 CA VAL A 99 -4.936 -10.214 5.522 1.00 0.61 C ATOM 1550 C VAL A 99 -3.485 -10.110 5.032 1.00 0.58 C ATOM 1551 O VAL A 99 -2.729 -9.248 5.481 1.00 0.65 O ATOM 1552 CB VAL A 99 -5.858 -9.181 4.819 1.00 0.74 C ATOM 1553 CG1 VAL A 99 -5.680 -9.183 3.290 1.00 1.01 C ATOM 1554 CG2 VAL A 99 -7.349 -9.433 5.131 1.00 0.87 C ATOM 0 H VAL A 99 -4.311 -9.284 7.275 1.00 0.62 H new ATOM 0 HA VAL A 99 -5.303 -11.211 5.277 1.00 0.61 H new ATOM 0 HB VAL A 99 -5.558 -8.211 5.215 1.00 0.74 H new ATOM 0 HG11 VAL A 99 -6.346 -8.444 2.845 1.00 1.01 H new ATOM 0 HG12 VAL A 99 -4.647 -8.936 3.044 1.00 1.01 H new ATOM 0 HG13 VAL A 99 -5.920 -10.171 2.897 1.00 1.01 H new ATOM 0 HG21 VAL A 99 -7.959 -8.688 4.620 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -7.629 -10.429 4.788 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -7.513 -9.360 6.206 1.00 0.87 H new ATOM 1564 N GLU A 100 -3.086 -10.985 4.103 1.00 0.63 N ATOM 1565 CA GLU A 100 -1.751 -10.960 3.503 1.00 0.69 C ATOM 1566 C GLU A 100 -1.635 -9.876 2.423 1.00 0.74 C ATOM 1567 O GLU A 100 -2.546 -9.710 1.604 1.00 0.82 O ATOM 1568 CB GLU A 100 -1.396 -12.286 2.810 1.00 1.10 C ATOM 1569 CG GLU A 100 -1.758 -13.601 3.510 1.00 1.36 C ATOM 1570 CD GLU A 100 -1.221 -14.751 2.659 1.00 1.55 C ATOM 1571 OE1 GLU A 100 -1.571 -14.820 1.458 1.00 2.63 O ATOM 1572 OE2 GLU A 100 -0.307 -15.466 3.117 1.00 1.79 O ATOM 0 H GLU A 100 -3.682 -11.732 3.746 1.00 0.63 H new ATOM 0 HA GLU A 100 -1.074 -10.767 4.335 1.00 0.69 H new ATOM 0 HB2 GLU A 100 -1.878 -12.288 1.833 1.00 1.10 H new ATOM 0 HB3 GLU A 100 -0.320 -12.290 2.635 1.00 1.10 H new ATOM 0 HG2 GLU A 100 -1.325 -13.632 4.510 1.00 1.36 H new ATOM 0 HG3 GLU A 100 -2.838 -13.686 3.627 1.00 1.36 H new ATOM 1579 N LEU A 101 -0.457 -9.247 2.327 1.00 0.78 N ATOM 1580 CA LEU A 101 0.051 -8.693 1.067 1.00 0.70 C ATOM 1581 C LEU A 101 1.355 -9.400 0.667 1.00 0.61 C ATOM 1582 O LEU A 101 2.254 -9.625 1.486 1.00 0.65 O ATOM 1583 CB LEU A 101 0.275 -7.166 1.129 1.00 0.75 C ATOM 1584 CG LEU A 101 -0.889 -6.313 0.575 1.00 0.98 C ATOM 1585 CD1 LEU A 101 -2.169 -6.351 1.422 1.00 1.61 C ATOM 1586 CD2 LEU A 101 -0.434 -4.856 0.452 1.00 1.68 C ATOM 0 H LEU A 101 0.170 -9.108 3.120 1.00 0.78 H new ATOM 0 HA LEU A 101 -0.715 -8.871 0.312 1.00 0.70 H new ATOM 0 HB2 LEU A 101 0.453 -6.882 2.166 1.00 0.75 H new ATOM 0 HB3 LEU A 101 1.180 -6.924 0.572 1.00 0.75 H new ATOM 0 HG LEU A 101 -1.141 -6.750 -0.391 1.00 0.98 H new ATOM 0 HD11 LEU A 101 -2.931 -5.725 0.958 1.00 1.61 H new ATOM 0 HD12 LEU A 101 -2.532 -7.377 1.487 1.00 1.61 H new ATOM 0 HD13 LEU A 101 -1.954 -5.979 2.424 1.00 1.61 H new ATOM 0 HD21 LEU A 101 -1.252 -4.251 0.061 1.00 1.68 H new ATOM 0 HD22 LEU A 101 -0.142 -4.482 1.433 1.00 1.68 H new ATOM 0 HD23 LEU A 101 0.417 -4.797 -0.227 1.00 1.68 H new ATOM 1598 N ASP A 102 1.456 -9.658 -0.631 1.00 0.62 N ATOM 1599 CA ASP A 102 2.688 -9.984 -1.335 1.00 0.64 C ATOM 1600 C ASP A 102 3.283 -8.697 -1.922 1.00 0.59 C ATOM 1601 O ASP A 102 2.558 -7.757 -2.250 1.00 0.75 O ATOM 1602 CB ASP A 102 2.418 -10.973 -2.471 1.00 0.76 C ATOM 1603 CG ASP A 102 2.011 -12.397 -2.070 1.00 1.20 C ATOM 1604 OD1 ASP A 102 1.383 -12.620 -1.015 1.00 2.11 O ATOM 1605 OD2 ASP A 102 2.268 -13.289 -2.910 1.00 2.08 O ATOM 0 H ASP A 102 0.644 -9.645 -1.249 1.00 0.62 H new ATOM 0 HA ASP A 102 3.384 -10.441 -0.632 1.00 0.64 H new ATOM 0 HB2 ASP A 102 1.630 -10.560 -3.100 1.00 0.76 H new ATOM 0 HB3 ASP A 102 3.316 -11.037 -3.085 1.00 0.76 H new ATOM 1610 N LEU A 103 4.602 -8.661 -2.086 1.00 0.71 N ATOM 1611 CA LEU A 103 5.372 -7.518 -2.567 1.00 0.65 C ATOM 1612 C LEU A 103 6.152 -7.926 -3.821 1.00 0.73 C ATOM 1613 O LEU A 103 6.830 -8.954 -3.814 1.00 0.98 O ATOM 1614 CB LEU A 103 6.337 -7.054 -1.463 1.00 0.77 C ATOM 1615 CG LEU A 103 5.678 -6.443 -0.204 1.00 0.83 C ATOM 1616 CD1 LEU A 103 5.160 -7.479 0.808 1.00 0.98 C ATOM 1617 CD2 LEU A 103 6.716 -5.573 0.511 1.00 1.04 C ATOM 0 H LEU A 103 5.191 -9.467 -1.877 1.00 0.71 H new ATOM 0 HA LEU A 103 4.702 -6.696 -2.819 1.00 0.65 H new ATOM 0 HB2 LEU A 103 6.943 -7.906 -1.155 1.00 0.77 H new ATOM 0 HB3 LEU A 103 7.017 -6.316 -1.888 1.00 0.77 H new ATOM 0 HG LEU A 103 4.814 -5.879 -0.554 1.00 0.83 H new ATOM 0 HD11 LEU A 103 4.714 -6.965 1.659 1.00 0.98 H new ATOM 0 HD12 LEU A 103 4.410 -8.110 0.331 1.00 0.98 H new ATOM 0 HD13 LEU A 103 5.989 -8.098 1.152 1.00 0.98 H new ATOM 0 HD21 LEU A 103 6.270 -5.133 1.403 1.00 1.04 H new ATOM 0 HD22 LEU A 103 7.570 -6.187 0.798 1.00 1.04 H new ATOM 0 HD23 LEU A 103 7.048 -4.779 -0.158 1.00 1.04 H new ATOM 1629 N LEU A 104 6.071 -7.122 -4.889 1.00 0.60 N ATOM 1630 CA LEU A 104 6.744 -7.360 -6.166 1.00 0.64 C ATOM 1631 C LEU A 104 7.865 -6.335 -6.379 1.00 0.66 C ATOM 1632 O LEU A 104 7.626 -5.125 -6.473 1.00 0.57 O ATOM 1633 CB LEU A 104 5.720 -7.279 -7.313 1.00 0.63 C ATOM 1634 CG LEU A 104 4.518 -8.242 -7.234 1.00 0.67 C ATOM 1635 CD1 LEU A 104 3.631 -8.066 -8.475 1.00 0.70 C ATOM 1636 CD2 LEU A 104 4.946 -9.712 -7.120 1.00 0.79 C ATOM 0 H LEU A 104 5.519 -6.264 -4.885 1.00 0.60 H new ATOM 0 HA LEU A 104 7.188 -8.355 -6.154 1.00 0.64 H new ATOM 0 HB2 LEU A 104 5.337 -6.259 -7.357 1.00 0.63 H new ATOM 0 HB3 LEU A 104 6.244 -7.464 -8.251 1.00 0.63 H new ATOM 0 HG LEU A 104 3.964 -7.990 -6.329 1.00 0.67 H new ATOM 0 HD11 LEU A 104 2.783 -8.748 -8.416 1.00 0.70 H new ATOM 0 HD12 LEU A 104 3.268 -7.039 -8.520 1.00 0.70 H new ATOM 0 HD13 LEU A 104 4.211 -8.286 -9.371 1.00 0.70 H new ATOM 0 HD21 LEU A 104 4.061 -10.346 -7.068 1.00 0.79 H new ATOM 0 HD22 LEU A 104 5.538 -9.987 -7.993 1.00 0.79 H new ATOM 0 HD23 LEU A 104 5.543 -9.848 -6.219 1.00 0.79 H new ATOM 1648 N PHE A 105 9.097 -6.825 -6.480 1.00 0.83 N ATOM 1649 CA PHE A 105 10.305 -6.023 -6.661 1.00 0.91 C ATOM 1650 C PHE A 105 10.957 -6.296 -8.027 1.00 1.01 C ATOM 1651 O PHE A 105 10.772 -7.349 -8.640 1.00 1.35 O ATOM 1652 CB PHE A 105 11.303 -6.364 -5.550 1.00 0.99 C ATOM 1653 CG PHE A 105 10.841 -6.149 -4.126 1.00 0.99 C ATOM 1654 CD1 PHE A 105 10.161 -7.177 -3.443 1.00 2.30 C ATOM 1655 CD2 PHE A 105 11.188 -4.969 -3.450 1.00 1.69 C ATOM 1656 CE1 PHE A 105 9.870 -7.037 -2.079 1.00 2.42 C ATOM 1657 CE2 PHE A 105 10.906 -4.835 -2.082 1.00 1.67 C ATOM 1658 CZ PHE A 105 10.260 -5.879 -1.394 1.00 1.23 C ATOM 0 H PHE A 105 9.289 -7.826 -6.437 1.00 0.83 H new ATOM 0 HA PHE A 105 10.029 -4.969 -6.618 1.00 0.91 H new ATOM 0 HB2 PHE A 105 11.589 -7.410 -5.660 1.00 0.99 H new ATOM 0 HB3 PHE A 105 12.203 -5.770 -5.708 1.00 0.99 H new ATOM 0 HD1 PHE A 105 9.864 -8.072 -3.970 1.00 2.30 H new ATOM 0 HD2 PHE A 105 11.672 -4.164 -3.983 1.00 1.69 H new ATOM 0 HE1 PHE A 105 9.345 -7.822 -1.556 1.00 2.42 H new ATOM 0 HE2 PHE A 105 11.184 -3.932 -1.558 1.00 1.67 H new ATOM 0 HZ PHE A 105 10.065 -5.787 -0.336 1.00 1.23 H new ATOM 1668 N ALA A 106 11.803 -5.367 -8.476 1.00 0.90 N ATOM 1669 CA ALA A 106 12.694 -5.601 -9.613 1.00 1.03 C ATOM 1670 C ALA A 106 13.694 -6.747 -9.334 1.00 1.38 C ATOM 1671 O ALA A 106 14.158 -6.927 -8.202 1.00 1.88 O ATOM 1672 CB ALA A 106 13.403 -4.288 -9.967 1.00 1.22 C ATOM 0 H ALA A 106 11.889 -4.438 -8.065 1.00 0.90 H new ATOM 0 HA ALA A 106 12.104 -5.925 -10.470 1.00 1.03 H new ATOM 0 HB1 ALA A 106 14.070 -4.451 -10.814 1.00 1.22 H new ATOM 0 HB2 ALA A 106 12.662 -3.533 -10.229 1.00 1.22 H new ATOM 0 HB3 ALA A 106 13.982 -3.945 -9.110 1.00 1.22 H new ATOM 1678 N GLY A 107 14.048 -7.505 -10.381 1.00 2.12 N ATOM 1679 CA GLY A 107 15.040 -8.592 -10.318 1.00 2.83 C ATOM 1680 C GLY A 107 14.465 -9.978 -10.001 1.00 2.37 C ATOM 1681 O GLY A 107 15.189 -10.816 -9.470 1.00 3.17 O ATOM 0 H GLY A 107 13.648 -7.380 -11.311 1.00 2.12 H new ATOM 0 HA2 GLY A 107 15.563 -8.642 -11.273 1.00 2.83 H new ATOM 0 HA3 GLY A 107 15.783 -8.342 -9.561 1.00 2.83 H new ATOM 1685 N GLY A 108 13.177 -10.215 -10.283 1.00 1.56 N ATOM 1686 CA GLY A 108 12.502 -11.504 -10.026 1.00 1.67 C ATOM 1687 C GLY A 108 12.158 -11.733 -8.549 1.00 1.64 C ATOM 1688 O GLY A 108 11.720 -12.812 -8.160 1.00 2.30 O ATOM 0 H GLY A 108 12.565 -9.514 -10.700 1.00 1.56 H new ATOM 0 HA2 GLY A 108 11.586 -11.549 -10.615 1.00 1.67 H new ATOM 0 HA3 GLY A 108 13.143 -12.315 -10.371 1.00 1.67 H new ATOM 1692 N LYS A 109 12.371 -10.722 -7.708 1.00 1.15 N ATOM 1693 CA LYS A 109 12.148 -10.791 -6.269 1.00 1.04 C ATOM 1694 C LYS A 109 10.663 -10.621 -5.924 1.00 1.08 C ATOM 1695 O LYS A 109 10.094 -9.546 -6.092 1.00 0.97 O ATOM 1696 CB LYS A 109 13.013 -9.716 -5.599 1.00 1.05 C ATOM 1697 CG LYS A 109 14.458 -10.184 -5.440 1.00 1.28 C ATOM 1698 CD LYS A 109 15.336 -8.979 -5.078 1.00 1.49 C ATOM 1699 CE LYS A 109 16.815 -9.370 -5.000 1.00 2.33 C ATOM 1700 NZ LYS A 109 17.662 -8.206 -4.635 1.00 3.22 N ATOM 0 H LYS A 109 12.711 -9.812 -8.018 1.00 1.15 H new ATOM 0 HA LYS A 109 12.435 -11.774 -5.897 1.00 1.04 H new ATOM 0 HB2 LYS A 109 12.988 -8.803 -6.194 1.00 1.05 H new ATOM 0 HB3 LYS A 109 12.599 -9.470 -4.621 1.00 1.05 H new ATOM 0 HG2 LYS A 109 14.524 -10.945 -4.662 1.00 1.28 H new ATOM 0 HG3 LYS A 109 14.809 -10.642 -6.365 1.00 1.28 H new ATOM 0 HD2 LYS A 109 15.204 -8.194 -5.823 1.00 1.49 H new ATOM 0 HD3 LYS A 109 15.016 -8.568 -4.121 1.00 1.49 H new ATOM 0 HE2 LYS A 109 16.945 -10.163 -4.263 1.00 2.33 H new ATOM 0 HE3 LYS A 109 17.139 -9.771 -5.961 1.00 2.33 H new ATOM 0 HZ1 LYS A 109 18.658 -8.502 -4.590 1.00 3.22 H new ATOM 0 HZ2 LYS A 109 17.554 -7.460 -5.352 1.00 3.22 H new ATOM 0 HZ3 LYS A 109 17.367 -7.840 -3.707 1.00 3.22 H new ATOM 1714 N VAL A 110 10.085 -11.680 -5.369 1.00 1.34 N ATOM 1715 CA VAL A 110 8.783 -11.676 -4.684 1.00 1.29 C ATOM 1716 C VAL A 110 8.992 -11.915 -3.187 1.00 1.27 C ATOM 1717 O VAL A 110 9.898 -12.652 -2.799 1.00 1.33 O ATOM 1718 CB VAL A 110 7.796 -12.695 -5.310 1.00 1.32 C ATOM 1719 CG1 VAL A 110 8.293 -14.150 -5.235 1.00 2.30 C ATOM 1720 CG2 VAL A 110 6.386 -12.604 -4.698 1.00 1.83 C ATOM 0 H VAL A 110 10.520 -12.602 -5.380 1.00 1.34 H new ATOM 0 HA VAL A 110 8.321 -10.697 -4.815 1.00 1.29 H new ATOM 0 HB VAL A 110 7.742 -12.412 -6.361 1.00 1.32 H new ATOM 0 HG11 VAL A 110 7.555 -14.810 -5.691 1.00 2.30 H new ATOM 0 HG12 VAL A 110 9.239 -14.239 -5.769 1.00 2.30 H new ATOM 0 HG13 VAL A 110 8.437 -14.432 -4.192 1.00 2.30 H new ATOM 0 HG21 VAL A 110 5.735 -13.339 -5.172 1.00 1.83 H new ATOM 0 HG22 VAL A 110 6.440 -12.804 -3.628 1.00 1.83 H new ATOM 0 HG23 VAL A 110 5.983 -11.604 -4.860 1.00 1.83 H new ATOM 1730 N LEU A 111 8.162 -11.280 -2.359 1.00 1.23 N ATOM 1731 CA LEU A 111 8.112 -11.439 -0.901 1.00 1.27 C ATOM 1732 C LEU A 111 6.650 -11.360 -0.430 1.00 1.28 C ATOM 1733 O LEU A 111 5.770 -11.055 -1.229 1.00 1.89 O ATOM 1734 CB LEU A 111 8.997 -10.333 -0.283 1.00 1.30 C ATOM 1735 CG LEU A 111 9.500 -10.543 1.160 1.00 1.42 C ATOM 1736 CD1 LEU A 111 10.424 -11.764 1.279 1.00 2.48 C ATOM 1737 CD2 LEU A 111 10.254 -9.280 1.603 1.00 1.81 C ATOM 0 H LEU A 111 7.473 -10.609 -2.700 1.00 1.23 H new ATOM 0 HA LEU A 111 8.493 -12.409 -0.582 1.00 1.27 H new ATOM 0 HB2 LEU A 111 9.867 -10.201 -0.926 1.00 1.30 H new ATOM 0 HB3 LEU A 111 8.436 -9.399 -0.310 1.00 1.30 H new ATOM 0 HG LEU A 111 8.638 -10.727 1.801 1.00 1.42 H new ATOM 0 HD11 LEU A 111 10.753 -11.872 2.313 1.00 2.48 H new ATOM 0 HD12 LEU A 111 9.883 -12.660 0.975 1.00 2.48 H new ATOM 0 HD13 LEU A 111 11.292 -11.628 0.634 1.00 2.48 H new ATOM 0 HD21 LEU A 111 10.617 -9.412 2.622 1.00 1.81 H new ATOM 0 HD22 LEU A 111 11.099 -9.108 0.936 1.00 1.81 H new ATOM 0 HD23 LEU A 111 9.582 -8.423 1.565 1.00 1.81 H new ATOM 1749 N LYS A 112 6.379 -11.575 0.859 1.00 0.92 N ATOM 1750 CA LYS A 112 5.056 -11.339 1.456 1.00 0.96 C ATOM 1751 C LYS A 112 5.109 -11.071 2.968 1.00 0.89 C ATOM 1752 O LYS A 112 6.064 -11.462 3.636 1.00 1.12 O ATOM 1753 CB LYS A 112 4.078 -12.470 1.080 1.00 1.44 C ATOM 1754 CG LYS A 112 4.459 -13.858 1.622 1.00 1.47 C ATOM 1755 CD LYS A 112 3.508 -14.933 1.075 1.00 1.69 C ATOM 1756 CE LYS A 112 2.088 -14.771 1.635 1.00 1.53 C ATOM 1757 NZ LYS A 112 1.046 -14.830 0.585 1.00 2.23 N ATOM 0 H LYS A 112 7.072 -11.919 1.524 1.00 0.92 H new ATOM 0 HA LYS A 112 4.671 -10.414 1.027 1.00 0.96 H new ATOM 0 HB2 LYS A 112 3.086 -12.211 1.449 1.00 1.44 H new ATOM 0 HB3 LYS A 112 4.009 -12.526 -0.006 1.00 1.44 H new ATOM 0 HG2 LYS A 112 5.485 -14.095 1.340 1.00 1.47 H new ATOM 0 HG3 LYS A 112 4.421 -13.852 2.711 1.00 1.47 H new ATOM 0 HD2 LYS A 112 3.479 -14.874 -0.013 1.00 1.69 H new ATOM 0 HD3 LYS A 112 3.890 -15.921 1.331 1.00 1.69 H new ATOM 0 HE2 LYS A 112 1.901 -15.554 2.370 1.00 1.53 H new ATOM 0 HE3 LYS A 112 2.016 -13.818 2.159 1.00 1.53 H new ATOM 0 HZ1 LYS A 112 0.150 -15.154 1.003 1.00 2.23 H new ATOM 0 HZ2 LYS A 112 0.914 -13.884 0.173 1.00 2.23 H new ATOM 0 HZ3 LYS A 112 1.341 -15.494 -0.160 1.00 2.23 H new ATOM 1771 N VAL A 113 4.085 -10.396 3.492 1.00 0.75 N ATOM 1772 CA VAL A 113 3.903 -10.030 4.913 1.00 0.83 C ATOM 1773 C VAL A 113 2.404 -10.118 5.249 1.00 0.73 C ATOM 1774 O VAL A 113 1.565 -10.119 4.349 1.00 0.74 O ATOM 1775 CB VAL A 113 4.459 -8.612 5.237 1.00 1.01 C ATOM 1776 CG1 VAL A 113 4.634 -8.378 6.750 1.00 1.83 C ATOM 1777 CG2 VAL A 113 5.824 -8.317 4.585 1.00 2.25 C ATOM 0 H VAL A 113 3.313 -10.068 2.911 1.00 0.75 H new ATOM 0 HA VAL A 113 4.472 -10.727 5.528 1.00 0.83 H new ATOM 0 HB VAL A 113 3.703 -7.944 4.824 1.00 1.01 H new ATOM 0 HG11 VAL A 113 5.024 -7.375 6.920 1.00 1.83 H new ATOM 0 HG12 VAL A 113 3.670 -8.482 7.248 1.00 1.83 H new ATOM 0 HG13 VAL A 113 5.332 -9.112 7.153 1.00 1.83 H new ATOM 0 HG21 VAL A 113 6.147 -7.312 4.856 1.00 2.25 H new ATOM 0 HG22 VAL A 113 6.559 -9.041 4.936 1.00 2.25 H new ATOM 0 HG23 VAL A 113 5.733 -8.389 3.501 1.00 2.25 H new ATOM 1787 N VAL A 114 2.063 -10.178 6.538 1.00 0.83 N ATOM 1788 CA VAL A 114 0.680 -10.280 7.047 1.00 0.78 C ATOM 1789 C VAL A 114 0.379 -9.043 7.898 1.00 0.79 C ATOM 1790 O VAL A 114 1.280 -8.507 8.545 1.00 1.03 O ATOM 1791 CB VAL A 114 0.448 -11.587 7.846 1.00 1.02 C ATOM 1792 CG1 VAL A 114 -1.025 -11.746 8.258 1.00 1.66 C ATOM 1793 CG2 VAL A 114 0.854 -12.815 7.011 1.00 1.57 C ATOM 0 H VAL A 114 2.758 -10.157 7.285 1.00 0.83 H new ATOM 0 HA VAL A 114 -0.006 -10.319 6.201 1.00 0.78 H new ATOM 0 HB VAL A 114 1.065 -11.522 8.742 1.00 1.02 H new ATOM 0 HG11 VAL A 114 -1.149 -12.674 8.816 1.00 1.66 H new ATOM 0 HG12 VAL A 114 -1.321 -10.904 8.884 1.00 1.66 H new ATOM 0 HG13 VAL A 114 -1.651 -11.773 7.366 1.00 1.66 H new ATOM 0 HG21 VAL A 114 0.683 -13.722 7.591 1.00 1.57 H new ATOM 0 HG22 VAL A 114 0.257 -12.849 6.100 1.00 1.57 H new ATOM 0 HG23 VAL A 114 1.910 -12.745 6.750 1.00 1.57 H new ATOM 1803 N LEU A 115 -0.867 -8.556 7.842 1.00 0.70 N ATOM 1804 CA LEU A 115 -1.269 -7.262 8.391 1.00 0.76 C ATOM 1805 C LEU A 115 -2.765 -7.230 8.796 1.00 0.65 C ATOM 1806 O LEU A 115 -3.592 -7.797 8.071 1.00 0.69 O ATOM 1807 CB LEU A 115 -0.901 -6.116 7.429 1.00 1.05 C ATOM 1808 CG LEU A 115 -1.238 -6.262 5.928 1.00 1.14 C ATOM 1809 CD1 LEU A 115 -1.229 -4.868 5.288 1.00 1.79 C ATOM 1810 CD2 LEU A 115 -0.206 -7.106 5.173 1.00 2.17 C ATOM 0 H LEU A 115 -1.636 -9.063 7.405 1.00 0.70 H new ATOM 0 HA LEU A 115 -0.706 -7.111 9.312 1.00 0.76 H new ATOM 0 HB2 LEU A 115 -1.392 -5.212 7.790 1.00 1.05 H new ATOM 0 HB3 LEU A 115 0.173 -5.950 7.511 1.00 1.05 H new ATOM 0 HG LEU A 115 -2.210 -6.752 5.862 1.00 1.14 H new ATOM 0 HD11 LEU A 115 -1.465 -4.953 4.227 1.00 1.79 H new ATOM 0 HD12 LEU A 115 -1.973 -4.239 5.776 1.00 1.79 H new ATOM 0 HD13 LEU A 115 -0.242 -4.420 5.405 1.00 1.79 H new ATOM 0 HD21 LEU A 115 -0.491 -7.176 4.123 1.00 2.17 H new ATOM 0 HD22 LEU A 115 0.775 -6.637 5.252 1.00 2.17 H new ATOM 0 HD23 LEU A 115 -0.167 -8.106 5.606 1.00 2.17 H new ATOM 1822 N PRO A 116 -3.124 -6.559 9.911 1.00 0.63 N ATOM 1823 CA PRO A 116 -4.498 -6.450 10.389 1.00 0.65 C ATOM 1824 C PRO A 116 -5.397 -5.638 9.459 1.00 0.63 C ATOM 1825 O PRO A 116 -4.940 -4.784 8.708 1.00 0.68 O ATOM 1826 CB PRO A 116 -4.415 -5.822 11.783 1.00 0.72 C ATOM 1827 CG PRO A 116 -3.115 -5.025 11.731 1.00 0.67 C ATOM 1828 CD PRO A 116 -2.231 -5.920 10.868 1.00 0.64 C ATOM 0 HA PRO A 116 -4.961 -7.436 10.419 1.00 0.65 H new ATOM 0 HB2 PRO A 116 -5.272 -5.181 11.987 1.00 0.72 H new ATOM 0 HB3 PRO A 116 -4.391 -6.581 12.565 1.00 0.72 H new ATOM 0 HG2 PRO A 116 -3.257 -4.040 11.286 1.00 0.67 H new ATOM 0 HG3 PRO A 116 -2.692 -4.868 12.723 1.00 0.67 H new ATOM 0 HD2 PRO A 116 -1.464 -5.337 10.358 1.00 0.64 H new ATOM 0 HD3 PRO A 116 -1.715 -6.662 11.476 1.00 0.64 H new ATOM 1836 N VAL A 117 -6.700 -5.889 9.545 1.00 0.65 N ATOM 1837 CA VAL A 117 -7.736 -5.049 8.941 1.00 0.68 C ATOM 1838 C VAL A 117 -8.221 -4.052 9.995 1.00 0.78 C ATOM 1839 O VAL A 117 -8.784 -4.466 11.011 1.00 0.85 O ATOM 1840 CB VAL A 117 -8.922 -5.876 8.398 1.00 0.77 C ATOM 1841 CG1 VAL A 117 -9.915 -4.964 7.657 1.00 0.84 C ATOM 1842 CG2 VAL A 117 -8.465 -6.975 7.425 1.00 0.79 C ATOM 0 H VAL A 117 -7.075 -6.695 10.045 1.00 0.65 H new ATOM 0 HA VAL A 117 -7.306 -4.527 8.086 1.00 0.68 H new ATOM 0 HB VAL A 117 -9.397 -6.343 9.261 1.00 0.77 H new ATOM 0 HG11 VAL A 117 -10.745 -5.561 7.280 1.00 0.84 H new ATOM 0 HG12 VAL A 117 -10.295 -4.206 8.343 1.00 0.84 H new ATOM 0 HG13 VAL A 117 -9.409 -4.478 6.823 1.00 0.84 H new ATOM 0 HG21 VAL A 117 -9.333 -7.530 7.069 1.00 0.79 H new ATOM 0 HG22 VAL A 117 -7.953 -6.520 6.577 1.00 0.79 H new ATOM 0 HG23 VAL A 117 -7.785 -7.655 7.938 1.00 0.79 H new ATOM 1852 N GLU A 118 -8.046 -2.752 9.739 1.00 0.92 N ATOM 1853 CA GLU A 118 -8.661 -1.663 10.517 1.00 0.91 C ATOM 1854 C GLU A 118 -9.749 -0.945 9.687 1.00 0.90 C ATOM 1855 O GLU A 118 -10.076 -1.374 8.583 1.00 1.28 O ATOM 1856 CB GLU A 118 -7.608 -0.691 11.080 1.00 1.16 C ATOM 1857 CG GLU A 118 -6.629 -1.363 12.060 1.00 2.03 C ATOM 1858 CD GLU A 118 -5.943 -0.327 12.954 1.00 3.25 C ATOM 1859 OE1 GLU A 118 -5.595 0.747 12.413 1.00 4.18 O ATOM 1860 OE2 GLU A 118 -5.820 -0.608 14.168 1.00 3.93 O ATOM 0 H GLU A 118 -7.463 -2.417 8.972 1.00 0.92 H new ATOM 0 HA GLU A 118 -9.153 -2.105 11.383 1.00 0.91 H new ATOM 0 HB2 GLU A 118 -7.045 -0.256 10.254 1.00 1.16 H new ATOM 0 HB3 GLU A 118 -8.115 0.130 11.587 1.00 1.16 H new ATOM 0 HG2 GLU A 118 -7.166 -2.083 12.678 1.00 2.03 H new ATOM 0 HG3 GLU A 118 -5.877 -1.921 11.502 1.00 2.03 H new ATOM 1867 N ALA A 119 -10.383 0.088 10.251 1.00 1.13 N ATOM 1868 CA ALA A 119 -11.715 0.562 9.858 1.00 1.23 C ATOM 1869 C ALA A 119 -11.790 1.536 8.656 1.00 2.07 C ATOM 1870 O ALA A 119 -10.793 1.912 8.035 1.00 3.29 O ATOM 1871 CB ALA A 119 -12.380 1.141 11.115 1.00 1.76 C ATOM 0 H ALA A 119 -9.975 0.631 11.012 1.00 1.13 H new ATOM 0 HA ALA A 119 -12.253 -0.301 9.466 1.00 1.23 H new ATOM 0 HB1 ALA A 119 -13.376 1.506 10.864 1.00 1.76 H new ATOM 0 HB2 ALA A 119 -12.459 0.364 11.876 1.00 1.76 H new ATOM 0 HB3 ALA A 119 -11.778 1.965 11.499 1.00 1.76 H new ATOM 1877 N ARG A 120 -13.030 1.938 8.336 1.00 2.76 N ATOM 1878 CA ARG A 120 -13.367 2.980 7.349 1.00 3.75 C ATOM 1879 C ARG A 120 -13.089 4.394 7.867 1.00 3.44 C ATOM 1880 O ARG A 120 -12.622 5.207 7.047 1.00 3.77 O ATOM 1881 CB ARG A 120 -14.778 2.776 6.735 1.00 5.96 C ATOM 1882 CG ARG A 120 -15.994 2.471 7.646 1.00 7.40 C ATOM 1883 CD ARG A 120 -16.821 3.683 8.115 1.00 8.47 C ATOM 1884 NE ARG A 120 -16.029 4.550 8.983 1.00 7.97 N ATOM 1885 CZ ARG A 120 -16.297 5.722 9.504 1.00 8.38 C ATOM 1886 NH1 ARG A 120 -17.497 6.228 9.545 1.00 9.43 N ATOM 1887 NH2 ARG A 120 -15.301 6.396 9.984 1.00 8.13 N ATOM 1888 OXT ARG A 120 -13.367 4.658 9.056 1.00 4.11 O ATOM 0 H ARG A 120 -13.857 1.532 8.773 1.00 2.76 H new ATOM 0 HA ARG A 120 -12.682 2.863 6.509 1.00 3.75 H new ATOM 0 HB2 ARG A 120 -15.017 3.677 6.170 1.00 5.96 H new ATOM 0 HB3 ARG A 120 -14.702 1.960 6.016 1.00 5.96 H new ATOM 0 HG2 ARG A 120 -16.658 1.790 7.113 1.00 7.40 H new ATOM 0 HG3 ARG A 120 -15.635 1.941 8.528 1.00 7.40 H new ATOM 0 HD2 ARG A 120 -17.169 4.248 7.250 1.00 8.47 H new ATOM 0 HD3 ARG A 120 -17.707 3.339 8.649 1.00 8.47 H new ATOM 0 HE ARG A 120 -15.110 4.180 9.225 1.00 7.97 H new ATOM 0 HH11 ARG A 120 -18.284 5.706 9.159 1.00 9.43 H new ATOM 0 HH12 ARG A 120 -17.649 7.146 9.963 1.00 9.43 H new ATOM 0 HH21 ARG A 120 -14.358 6.009 9.946 1.00 8.13 H new ATOM 0 HH22 ARG A 120 -15.459 7.314 10.400 1.00 8.13 H new