USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1071 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 109 THR OG1 : rot -139:sc= 0.398 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.229 K(o=0.63,f=-0.21) USER MOD Single : A 3 THR OG1 : rot -169:sc= 0 USER MOD Single : A 9 SER OG : rot -80:sc= 0.858 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 78:sc= 0.0094 USER MOD Single : A 28 ASN : amide:sc= 0.229 X(o=0.23,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -122:sc= 1.3 (180deg=-0.208) USER MOD Single : A 31 THR OG1 : rot -170:sc= 0 USER MOD Single : A 34 THR OG1 : rot -111:sc= 0.0831 USER MOD Single : A 37 LYS NZ :NH3+ -110:sc= 0.903 (180deg=-0.399) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 0.834 (180deg=0.443) USER MOD Single : A 41 LYS NZ :NH3+ -155:sc= 0.42 (180deg=-0.164) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= -0.0188 (180deg=-0.137) USER MOD Single : A 49 LYS NZ :NH3+ -130:sc= -0.647 (180deg=-2.73!) USER MOD Single : A 50 GLN : amide:sc= -0.0263 K(o=-0.026,f=-1.1) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0442 USER MOD Single : A 72 TYR OH : rot 30:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.246 K(o=-0.25,f=-2.5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl -138:sc= 0 (180deg=-1.76!) USER MOD Single : A 87 GLN : amide:sc= -1.64! K(o=-1.6!,f=-0.049) USER MOD Single : A 89 GLN : amide:sc= -0.0699 K(o=-0.07,f=-1.9!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0.0242 X(o=0.024,f=-0.26) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00726) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -170:sc= -0.0149 (180deg=-0.142) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0106) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 2.081 13.294 -1.681 1.00 1.53 N ATOM 21 CA GLY A 2 2.807 12.749 -0.524 1.00 63.22 C ATOM 22 C GLY A 2 2.060 11.635 0.200 1.00 71.40 C ATOM 23 O GLY A 2 1.878 11.683 1.420 1.00 71.43 O ATOM 0 HA2 GLY A 2 3.772 12.369 -0.858 1.00 63.22 H new ATOM 0 HA3 GLY A 2 3.009 13.556 0.180 1.00 63.22 H new ATOM 27 N THR A 3 1.594 10.645 -0.564 1.00 11.12 N ATOM 28 CA THR A 3 0.793 9.534 -0.041 1.00 61.11 C ATOM 29 C THR A 3 1.425 8.194 -0.447 1.00 51.44 C ATOM 30 O THR A 3 1.594 7.931 -1.637 1.00 71.31 O ATOM 31 CB THR A 3 -0.672 9.627 -0.582 1.00 4.20 C ATOM 32 OG1 THR A 3 -1.207 10.941 -0.324 1.00 4.40 O ATOM 33 CG2 THR A 3 -1.588 8.570 0.052 1.00 0.32 C ATOM 0 H THR A 3 1.762 10.590 -1.569 1.00 11.12 H new ATOM 0 HA THR A 3 0.769 9.596 1.047 1.00 61.11 H new ATOM 0 HB THR A 3 -0.636 9.440 -1.655 1.00 4.20 H new ATOM 0 HG1 THR A 3 -2.170 10.943 -0.503 1.00 4.40 H new ATOM 0 HG21 THR A 3 -2.595 8.671 -0.353 1.00 0.32 H new ATOM 0 HG22 THR A 3 -1.205 7.575 -0.173 1.00 0.32 H new ATOM 0 HG23 THR A 3 -1.615 8.713 1.132 1.00 0.32 H new ATOM 41 N VAL A 4 1.789 7.368 0.552 1.00 60.10 N ATOM 42 CA VAL A 4 2.421 6.055 0.329 1.00 41.14 C ATOM 43 C VAL A 4 1.426 4.926 0.664 1.00 53.23 C ATOM 44 O VAL A 4 1.062 4.732 1.821 1.00 24.53 O ATOM 45 CB VAL A 4 3.734 5.891 1.190 1.00 60.22 C ATOM 46 CG1 VAL A 4 4.440 4.546 0.893 1.00 21.21 C ATOM 47 CG2 VAL A 4 4.687 7.085 0.962 1.00 3.30 C ATOM 0 H VAL A 4 1.653 7.593 1.537 1.00 60.10 H new ATOM 0 HA VAL A 4 2.700 5.992 -0.723 1.00 41.14 H new ATOM 0 HB VAL A 4 3.447 5.882 2.242 1.00 60.22 H new ATOM 0 HG11 VAL A 4 5.340 4.465 1.502 1.00 21.21 H new ATOM 0 HG12 VAL A 4 3.767 3.722 1.129 1.00 21.21 H new ATOM 0 HG13 VAL A 4 4.711 4.502 -0.162 1.00 21.21 H new ATOM 0 HG21 VAL A 4 5.586 6.953 1.564 1.00 3.30 H new ATOM 0 HG22 VAL A 4 4.960 7.136 -0.092 1.00 3.30 H new ATOM 0 HG23 VAL A 4 4.188 8.009 1.253 1.00 3.30 H new ATOM 57 N VAL A 5 0.982 4.213 -0.372 1.00 22.53 N ATOM 58 CA VAL A 5 0.107 3.041 -0.248 1.00 0.13 C ATOM 59 C VAL A 5 0.962 1.766 -0.352 1.00 11.04 C ATOM 60 O VAL A 5 1.733 1.621 -1.296 1.00 23.20 O ATOM 61 CB VAL A 5 -1.016 3.046 -1.360 1.00 65.43 C ATOM 62 CG1 VAL A 5 -1.949 1.815 -1.242 1.00 51.52 C ATOM 63 CG2 VAL A 5 -1.822 4.369 -1.324 1.00 21.11 C ATOM 0 H VAL A 5 1.223 4.435 -1.338 1.00 22.53 H new ATOM 0 HA VAL A 5 -0.392 3.072 0.720 1.00 0.13 H new ATOM 0 HB VAL A 5 -0.520 2.979 -2.328 1.00 65.43 H new ATOM 0 HG11 VAL A 5 -2.707 1.856 -2.024 1.00 51.52 H new ATOM 0 HG12 VAL A 5 -1.363 0.902 -1.352 1.00 51.52 H new ATOM 0 HG13 VAL A 5 -2.435 1.819 -0.266 1.00 51.52 H new ATOM 0 HG21 VAL A 5 -2.589 4.349 -2.098 1.00 21.11 H new ATOM 0 HG22 VAL A 5 -2.294 4.481 -0.348 1.00 21.11 H new ATOM 0 HG23 VAL A 5 -1.150 5.209 -1.500 1.00 21.11 H new ATOM 73 N ILE A 6 0.858 0.881 0.649 1.00 0.52 N ATOM 74 CA ILE A 6 1.553 -0.419 0.671 1.00 1.31 C ATOM 75 C ILE A 6 0.500 -1.529 0.545 1.00 22.21 C ATOM 76 O ILE A 6 -0.471 -1.543 1.295 1.00 23.35 O ATOM 77 CB ILE A 6 2.379 -0.607 2.009 1.00 24.14 C ATOM 78 CG1 ILE A 6 3.386 0.569 2.226 1.00 22.23 C ATOM 79 CG2 ILE A 6 3.111 -1.972 2.048 1.00 25.24 C ATOM 80 CD1 ILE A 6 4.379 0.770 1.093 1.00 60.04 C ATOM 0 H ILE A 6 0.284 1.047 1.476 1.00 0.52 H new ATOM 0 HA ILE A 6 2.258 -0.463 -0.159 1.00 1.31 H new ATOM 0 HB ILE A 6 1.662 -0.595 2.830 1.00 24.14 H new ATOM 0 HG12 ILE A 6 2.822 1.491 2.365 1.00 22.23 H new ATOM 0 HG13 ILE A 6 3.939 0.391 3.148 1.00 22.23 H new ATOM 0 HG21 ILE A 6 3.666 -2.061 2.982 1.00 25.24 H new ATOM 0 HG22 ILE A 6 2.381 -2.778 1.981 1.00 25.24 H new ATOM 0 HG23 ILE A 6 3.802 -2.038 1.208 1.00 25.24 H new ATOM 0 HD11 ILE A 6 5.037 1.606 1.330 1.00 60.04 H new ATOM 0 HD12 ILE A 6 4.973 -0.135 0.965 1.00 60.04 H new ATOM 0 HD13 ILE A 6 3.840 0.983 0.170 1.00 60.04 H new ATOM 92 N VAL A 7 0.678 -2.437 -0.417 1.00 64.21 N ATOM 93 CA VAL A 7 -0.244 -3.559 -0.653 1.00 4.23 C ATOM 94 C VAL A 7 0.522 -4.874 -0.436 1.00 74.02 C ATOM 95 O VAL A 7 1.530 -5.121 -1.099 1.00 40.02 O ATOM 96 CB VAL A 7 -0.858 -3.513 -2.104 1.00 44.24 C ATOM 97 CG1 VAL A 7 -1.869 -4.657 -2.316 1.00 73.43 C ATOM 98 CG2 VAL A 7 -1.507 -2.136 -2.392 1.00 65.10 C ATOM 0 H VAL A 7 1.470 -2.418 -1.060 1.00 64.21 H new ATOM 0 HA VAL A 7 -1.076 -3.487 0.047 1.00 4.23 H new ATOM 0 HB VAL A 7 -0.043 -3.653 -2.814 1.00 44.24 H new ATOM 0 HG11 VAL A 7 -2.276 -4.600 -3.325 1.00 73.43 H new ATOM 0 HG12 VAL A 7 -1.368 -5.615 -2.180 1.00 73.43 H new ATOM 0 HG13 VAL A 7 -2.679 -4.566 -1.592 1.00 73.43 H new ATOM 0 HG21 VAL A 7 -1.922 -2.133 -3.400 1.00 65.10 H new ATOM 0 HG22 VAL A 7 -2.303 -1.951 -1.671 1.00 65.10 H new ATOM 0 HG23 VAL A 7 -0.753 -1.354 -2.308 1.00 65.10 H new ATOM 108 N VAL A 8 0.045 -5.690 0.516 1.00 2.13 N ATOM 109 CA VAL A 8 0.679 -6.956 0.908 1.00 53.11 C ATOM 110 C VAL A 8 -0.217 -8.138 0.472 1.00 11.00 C ATOM 111 O VAL A 8 -1.311 -8.347 1.024 1.00 53.04 O ATOM 112 CB VAL A 8 0.932 -6.996 2.465 1.00 12.35 C ATOM 113 CG1 VAL A 8 1.562 -8.336 2.912 1.00 30.41 C ATOM 114 CG2 VAL A 8 1.790 -5.783 2.923 1.00 63.02 C ATOM 0 H VAL A 8 -0.804 -5.485 1.042 1.00 2.13 H new ATOM 0 HA VAL A 8 1.645 -7.038 0.411 1.00 53.11 H new ATOM 0 HB VAL A 8 -0.039 -6.922 2.955 1.00 12.35 H new ATOM 0 HG11 VAL A 8 1.720 -8.322 3.990 1.00 30.41 H new ATOM 0 HG12 VAL A 8 0.893 -9.157 2.654 1.00 30.41 H new ATOM 0 HG13 VAL A 8 2.518 -8.475 2.407 1.00 30.41 H new ATOM 0 HG21 VAL A 8 1.949 -5.836 4.000 1.00 63.02 H new ATOM 0 HG22 VAL A 8 2.753 -5.805 2.413 1.00 63.02 H new ATOM 0 HG23 VAL A 8 1.271 -4.857 2.678 1.00 63.02 H new ATOM 124 N SER A 9 0.235 -8.857 -0.566 1.00 72.43 N ATOM 125 CA SER A 9 -0.397 -10.097 -1.045 1.00 12.33 C ATOM 126 C SER A 9 0.715 -11.047 -1.496 1.00 42.35 C ATOM 127 O SER A 9 1.636 -10.616 -2.183 1.00 74.41 O ATOM 128 CB SER A 9 -1.351 -9.796 -2.226 1.00 12.22 C ATOM 129 OG SER A 9 -2.239 -8.731 -1.922 1.00 42.32 O ATOM 0 H SER A 9 1.060 -8.591 -1.104 1.00 72.43 H new ATOM 0 HA SER A 9 -0.985 -10.551 -0.247 1.00 12.33 H new ATOM 0 HB2 SER A 9 -0.767 -9.542 -3.111 1.00 12.22 H new ATOM 0 HB3 SER A 9 -1.924 -10.691 -2.468 1.00 12.22 H new ATOM 0 HG SER A 9 -2.978 -9.068 -1.373 1.00 42.32 H new ATOM 135 N ARG A 10 0.648 -12.328 -1.101 1.00 63.05 N ATOM 136 CA ARG A 10 1.652 -13.333 -1.514 1.00 55.35 C ATOM 137 C ARG A 10 1.324 -13.872 -2.922 1.00 54.40 C ATOM 138 O ARG A 10 2.206 -14.361 -3.630 1.00 51.35 O ATOM 139 CB ARG A 10 1.741 -14.479 -0.465 1.00 55.31 C ATOM 140 CG ARG A 10 2.863 -15.520 -0.729 1.00 75.40 C ATOM 141 CD ARG A 10 2.963 -16.581 0.382 1.00 72.43 C ATOM 142 NE ARG A 10 3.252 -15.975 1.697 1.00 25.21 N ATOM 143 CZ ARG A 10 2.639 -16.280 2.854 1.00 4.44 C ATOM 144 NH1 ARG A 10 1.675 -17.205 2.906 1.00 31.44 N ATOM 145 NH2 ARG A 10 2.992 -15.639 3.957 1.00 63.43 N ATOM 0 H ARG A 10 -0.087 -12.696 -0.498 1.00 63.05 H new ATOM 0 HA ARG A 10 2.631 -12.856 -1.562 1.00 55.35 H new ATOM 0 HB2 ARG A 10 1.898 -14.039 0.520 1.00 55.31 H new ATOM 0 HB3 ARG A 10 0.783 -14.998 -0.433 1.00 55.31 H new ATOM 0 HG2 ARG A 10 2.677 -16.015 -1.682 1.00 75.40 H new ATOM 0 HG3 ARG A 10 3.818 -15.003 -0.819 1.00 75.40 H new ATOM 0 HD2 ARG A 10 2.028 -17.139 0.437 1.00 72.43 H new ATOM 0 HD3 ARG A 10 3.747 -17.296 0.132 1.00 72.43 H new ATOM 0 HE ARG A 10 3.981 -15.262 1.731 1.00 25.21 H new ATOM 0 HH11 ARG A 10 1.392 -17.695 2.057 1.00 31.44 H new ATOM 0 HH12 ARG A 10 1.223 -17.421 3.794 1.00 31.44 H new ATOM 0 HH21 ARG A 10 3.720 -14.925 3.921 1.00 63.43 H new ATOM 0 HH22 ARG A 10 2.536 -15.859 4.843 1.00 63.43 H new ATOM 159 N ASP A 11 0.045 -13.773 -3.319 1.00 23.00 N ATOM 160 CA ASP A 11 -0.416 -14.152 -4.674 1.00 12.42 C ATOM 161 C ASP A 11 -0.190 -12.986 -5.656 1.00 30.33 C ATOM 162 O ASP A 11 -0.820 -11.934 -5.514 1.00 22.13 O ATOM 163 CB ASP A 11 -1.918 -14.541 -4.636 1.00 72.41 C ATOM 164 CG ASP A 11 -2.460 -15.000 -6.008 1.00 44.44 C ATOM 165 OD1 ASP A 11 -2.167 -16.147 -6.413 1.00 44.02 O ATOM 166 OD2 ASP A 11 -3.173 -14.223 -6.680 1.00 4.51 O ATOM 0 H ASP A 11 -0.701 -13.429 -2.714 1.00 23.00 H new ATOM 0 HA ASP A 11 0.160 -15.012 -5.015 1.00 12.42 H new ATOM 0 HB2 ASP A 11 -2.062 -15.341 -3.909 1.00 72.41 H new ATOM 0 HB3 ASP A 11 -2.500 -13.687 -4.289 1.00 72.41 H new ATOM 171 N GLU A 12 0.696 -13.217 -6.654 1.00 4.44 N ATOM 172 CA GLU A 12 1.097 -12.218 -7.684 1.00 73.31 C ATOM 173 C GLU A 12 -0.112 -11.654 -8.441 1.00 62.25 C ATOM 174 O GLU A 12 -0.140 -10.462 -8.798 1.00 61.21 O ATOM 175 CB GLU A 12 2.093 -12.831 -8.732 1.00 72.24 C ATOM 176 CG GLU A 12 3.467 -13.286 -8.182 1.00 4.33 C ATOM 177 CD GLU A 12 3.551 -14.773 -7.763 1.00 2.04 C ATOM 178 OE1 GLU A 12 4.330 -15.532 -8.385 1.00 31.32 O ATOM 179 OE2 GLU A 12 2.870 -15.183 -6.800 1.00 60.45 O ATOM 0 H GLU A 12 1.162 -14.117 -6.771 1.00 4.44 H new ATOM 0 HA GLU A 12 1.589 -11.413 -7.138 1.00 73.31 H new ATOM 0 HB2 GLU A 12 1.611 -13.688 -9.202 1.00 72.24 H new ATOM 0 HB3 GLU A 12 2.265 -12.092 -9.515 1.00 72.24 H new ATOM 0 HG2 GLU A 12 4.225 -13.096 -8.942 1.00 4.33 H new ATOM 0 HG3 GLU A 12 3.718 -12.668 -7.320 1.00 4.33 H new ATOM 186 N ARG A 13 -1.099 -12.534 -8.674 1.00 12.01 N ATOM 187 CA ARG A 13 -2.269 -12.219 -9.495 1.00 74.34 C ATOM 188 C ARG A 13 -3.202 -11.217 -8.790 1.00 31.04 C ATOM 189 O ARG A 13 -3.900 -10.463 -9.462 1.00 74.43 O ATOM 190 CB ARG A 13 -3.019 -13.506 -9.917 1.00 51.43 C ATOM 191 CG ARG A 13 -2.137 -14.538 -10.662 1.00 74.55 C ATOM 192 CD ARG A 13 -2.954 -15.689 -11.275 1.00 25.42 C ATOM 193 NE ARG A 13 -3.873 -15.203 -12.321 1.00 34.40 N ATOM 194 CZ ARG A 13 -4.695 -15.962 -13.062 1.00 31.24 C ATOM 195 NH1 ARG A 13 -4.757 -17.283 -12.897 1.00 20.12 N ATOM 196 NH2 ARG A 13 -5.457 -15.384 -13.978 1.00 1.41 N ATOM 0 H ARG A 13 -1.104 -13.482 -8.297 1.00 12.01 H new ATOM 0 HA ARG A 13 -1.914 -11.736 -10.405 1.00 74.34 H new ATOM 0 HB2 ARG A 13 -3.438 -13.977 -9.028 1.00 51.43 H new ATOM 0 HB3 ARG A 13 -3.857 -13.231 -10.557 1.00 51.43 H new ATOM 0 HG2 ARG A 13 -1.582 -14.032 -11.452 1.00 74.55 H new ATOM 0 HG3 ARG A 13 -1.403 -14.949 -9.969 1.00 74.55 H new ATOM 0 HD2 ARG A 13 -2.277 -16.431 -11.700 1.00 25.42 H new ATOM 0 HD3 ARG A 13 -3.524 -16.189 -10.492 1.00 25.42 H new ATOM 0 HE ARG A 13 -3.885 -14.198 -12.497 1.00 34.40 H new ATOM 0 HH11 ARG A 13 -4.172 -17.737 -12.196 1.00 20.12 H new ATOM 0 HH12 ARG A 13 -5.389 -17.840 -13.472 1.00 20.12 H new ATOM 0 HH21 ARG A 13 -5.415 -14.374 -14.113 1.00 1.41 H new ATOM 0 HH22 ARG A 13 -6.086 -15.949 -14.548 1.00 1.41 H new ATOM 210 N ILE A 14 -3.186 -11.193 -7.436 1.00 64.12 N ATOM 211 CA ILE A 14 -3.905 -10.161 -6.660 1.00 62.02 C ATOM 212 C ILE A 14 -3.286 -8.764 -6.949 1.00 44.11 C ATOM 213 O ILE A 14 -4.004 -7.842 -7.342 1.00 15.33 O ATOM 214 CB ILE A 14 -3.910 -10.454 -5.104 1.00 3.22 C ATOM 215 CG1 ILE A 14 -4.630 -11.805 -4.787 1.00 4.20 C ATOM 216 CG2 ILE A 14 -4.578 -9.294 -4.319 1.00 51.33 C ATOM 217 CD1 ILE A 14 -4.653 -12.193 -3.314 1.00 34.21 C ATOM 0 H ILE A 14 -2.686 -11.873 -6.864 1.00 64.12 H new ATOM 0 HA ILE A 14 -4.946 -10.179 -6.981 1.00 62.02 H new ATOM 0 HB ILE A 14 -2.871 -10.534 -4.783 1.00 3.22 H new ATOM 0 HG12 ILE A 14 -5.657 -11.745 -5.147 1.00 4.20 H new ATOM 0 HG13 ILE A 14 -4.141 -12.601 -5.349 1.00 4.20 H new ATOM 0 HG21 ILE A 14 -4.567 -9.522 -3.253 1.00 51.33 H new ATOM 0 HG22 ILE A 14 -4.028 -8.370 -4.498 1.00 51.33 H new ATOM 0 HG23 ILE A 14 -5.608 -9.174 -4.654 1.00 51.33 H new ATOM 0 HD11 ILE A 14 -5.174 -13.143 -3.196 1.00 34.21 H new ATOM 0 HD12 ILE A 14 -3.631 -12.291 -2.948 1.00 34.21 H new ATOM 0 HD13 ILE A 14 -5.171 -11.422 -2.743 1.00 34.21 H new ATOM 229 N LEU A 15 -1.933 -8.659 -6.826 1.00 60.51 N ATOM 230 CA LEU A 15 -1.196 -7.372 -6.992 1.00 2.21 C ATOM 231 C LEU A 15 -1.444 -6.717 -8.374 1.00 4.40 C ATOM 232 O LEU A 15 -1.580 -5.493 -8.465 1.00 32.33 O ATOM 233 CB LEU A 15 0.343 -7.533 -6.800 1.00 74.43 C ATOM 234 CG LEU A 15 0.898 -7.895 -5.372 1.00 72.40 C ATOM 235 CD1 LEU A 15 0.159 -7.153 -4.234 1.00 61.14 C ATOM 236 CD2 LEU A 15 0.954 -9.413 -5.138 1.00 61.04 C ATOM 0 H LEU A 15 -1.329 -9.452 -6.612 1.00 60.51 H new ATOM 0 HA LEU A 15 -1.593 -6.726 -6.209 1.00 2.21 H new ATOM 0 HB2 LEU A 15 0.682 -8.305 -7.491 1.00 74.43 H new ATOM 0 HB3 LEU A 15 0.813 -6.599 -7.109 1.00 74.43 H new ATOM 0 HG LEU A 15 1.927 -7.535 -5.347 1.00 72.40 H new ATOM 0 HD11 LEU A 15 0.585 -7.443 -3.274 1.00 61.14 H new ATOM 0 HD12 LEU A 15 0.269 -6.077 -4.370 1.00 61.14 H new ATOM 0 HD13 LEU A 15 -0.899 -7.415 -4.255 1.00 61.14 H new ATOM 0 HD21 LEU A 15 1.343 -9.613 -4.140 1.00 61.04 H new ATOM 0 HD22 LEU A 15 -0.048 -9.832 -5.227 1.00 61.04 H new ATOM 0 HD23 LEU A 15 1.607 -9.872 -5.881 1.00 61.04 H new ATOM 248 N GLU A 16 -1.477 -7.541 -9.441 1.00 54.23 N ATOM 249 CA GLU A 16 -1.620 -7.045 -10.829 1.00 24.21 C ATOM 250 C GLU A 16 -3.068 -6.567 -11.106 1.00 11.20 C ATOM 251 O GLU A 16 -3.283 -5.616 -11.866 1.00 34.01 O ATOM 252 CB GLU A 16 -1.187 -8.128 -11.856 1.00 41.03 C ATOM 253 CG GLU A 16 -2.113 -9.357 -11.934 1.00 21.13 C ATOM 254 CD GLU A 16 -1.653 -10.406 -12.953 1.00 52.52 C ATOM 255 OE1 GLU A 16 -0.986 -11.382 -12.561 1.00 4.23 O ATOM 256 OE2 GLU A 16 -1.949 -10.250 -14.156 1.00 43.43 O ATOM 0 H GLU A 16 -1.406 -8.556 -9.370 1.00 54.23 H new ATOM 0 HA GLU A 16 -0.957 -6.187 -10.945 1.00 24.21 H new ATOM 0 HB2 GLU A 16 -1.132 -7.670 -12.843 1.00 41.03 H new ATOM 0 HB3 GLU A 16 -0.181 -8.465 -11.604 1.00 41.03 H new ATOM 0 HG2 GLU A 16 -2.172 -9.820 -10.949 1.00 21.13 H new ATOM 0 HG3 GLU A 16 -3.119 -9.028 -12.193 1.00 21.13 H new ATOM 263 N GLU A 17 -4.053 -7.220 -10.452 1.00 23.44 N ATOM 264 CA GLU A 17 -5.480 -6.836 -10.544 1.00 22.41 C ATOM 265 C GLU A 17 -5.759 -5.581 -9.712 1.00 2.34 C ATOM 266 O GLU A 17 -6.761 -4.905 -9.924 1.00 61.54 O ATOM 267 CB GLU A 17 -6.414 -7.999 -10.109 1.00 72.22 C ATOM 268 CG GLU A 17 -6.363 -9.211 -11.049 1.00 40.54 C ATOM 269 CD GLU A 17 -7.295 -10.358 -10.623 1.00 1.25 C ATOM 270 OE1 GLU A 17 -8.512 -10.281 -10.912 1.00 24.01 O ATOM 271 OE2 GLU A 17 -6.811 -11.354 -10.031 1.00 63.32 O ATOM 0 H GLU A 17 -3.884 -8.024 -9.848 1.00 23.44 H new ATOM 0 HA GLU A 17 -5.693 -6.614 -11.590 1.00 22.41 H new ATOM 0 HB2 GLU A 17 -6.140 -8.318 -9.103 1.00 72.22 H new ATOM 0 HB3 GLU A 17 -7.439 -7.632 -10.058 1.00 72.22 H new ATOM 0 HG2 GLU A 17 -6.631 -8.891 -12.056 1.00 40.54 H new ATOM 0 HG3 GLU A 17 -5.339 -9.583 -11.094 1.00 40.54 H new ATOM 278 N LEU A 18 -4.887 -5.309 -8.730 1.00 74.04 N ATOM 279 CA LEU A 18 -4.932 -4.070 -7.936 1.00 0.20 C ATOM 280 C LEU A 18 -4.142 -2.943 -8.628 1.00 13.04 C ATOM 281 O LEU A 18 -4.435 -1.761 -8.419 1.00 43.32 O ATOM 282 CB LEU A 18 -4.407 -4.345 -6.500 1.00 54.12 C ATOM 283 CG LEU A 18 -5.230 -5.394 -5.679 1.00 73.42 C ATOM 284 CD1 LEU A 18 -4.684 -5.561 -4.250 1.00 41.11 C ATOM 285 CD2 LEU A 18 -6.725 -5.038 -5.657 1.00 53.55 C ATOM 0 H LEU A 18 -4.131 -5.940 -8.463 1.00 74.04 H new ATOM 0 HA LEU A 18 -5.966 -3.733 -7.861 1.00 0.20 H new ATOM 0 HB2 LEU A 18 -3.375 -4.689 -6.567 1.00 54.12 H new ATOM 0 HB3 LEU A 18 -4.394 -3.405 -5.949 1.00 54.12 H new ATOM 0 HG LEU A 18 -5.118 -6.353 -6.185 1.00 73.42 H new ATOM 0 HD11 LEU A 18 -5.284 -6.298 -3.715 1.00 41.11 H new ATOM 0 HD12 LEU A 18 -3.648 -5.898 -4.293 1.00 41.11 H new ATOM 0 HD13 LEU A 18 -4.733 -4.605 -3.728 1.00 41.11 H new ATOM 0 HD21 LEU A 18 -7.269 -5.786 -5.079 1.00 53.55 H new ATOM 0 HD22 LEU A 18 -6.859 -4.058 -5.199 1.00 53.55 H new ATOM 0 HD23 LEU A 18 -7.109 -5.018 -6.677 1.00 53.55 H new ATOM 297 N LEU A 19 -3.154 -3.329 -9.469 1.00 5.42 N ATOM 298 CA LEU A 19 -2.343 -2.384 -10.269 1.00 75.22 C ATOM 299 C LEU A 19 -3.233 -1.594 -11.231 1.00 25.03 C ATOM 300 O LEU A 19 -3.163 -0.363 -11.290 1.00 23.40 O ATOM 301 CB LEU A 19 -1.237 -3.140 -11.068 1.00 64.21 C ATOM 302 CG LEU A 19 -0.396 -2.274 -12.070 1.00 73.14 C ATOM 303 CD1 LEU A 19 0.467 -1.236 -11.331 1.00 32.14 C ATOM 304 CD2 LEU A 19 0.455 -3.155 -13.005 1.00 60.52 C ATOM 0 H LEU A 19 -2.897 -4.306 -9.611 1.00 5.42 H new ATOM 0 HA LEU A 19 -1.861 -1.689 -9.581 1.00 75.22 H new ATOM 0 HB2 LEU A 19 -0.553 -3.601 -10.355 1.00 64.21 H new ATOM 0 HB3 LEU A 19 -1.709 -3.949 -11.626 1.00 64.21 H new ATOM 0 HG LEU A 19 -1.100 -1.726 -12.695 1.00 73.14 H new ATOM 0 HD11 LEU A 19 1.036 -0.654 -12.056 1.00 32.14 H new ATOM 0 HD12 LEU A 19 -0.177 -0.570 -10.756 1.00 32.14 H new ATOM 0 HD13 LEU A 19 1.154 -1.748 -10.657 1.00 32.14 H new ATOM 0 HD21 LEU A 19 1.024 -2.521 -13.685 1.00 60.52 H new ATOM 0 HD22 LEU A 19 1.142 -3.758 -12.411 1.00 60.52 H new ATOM 0 HD23 LEU A 19 -0.198 -3.811 -13.581 1.00 60.52 H new ATOM 316 N GLU A 20 -4.096 -2.328 -11.951 1.00 43.04 N ATOM 317 CA GLU A 20 -4.988 -1.746 -12.959 1.00 13.15 C ATOM 318 C GLU A 20 -6.024 -0.806 -12.311 1.00 14.42 C ATOM 319 O GLU A 20 -6.384 0.198 -12.907 1.00 0.03 O ATOM 320 CB GLU A 20 -5.685 -2.860 -13.780 1.00 74.23 C ATOM 321 CG GLU A 20 -6.637 -3.756 -12.968 1.00 61.51 C ATOM 322 CD GLU A 20 -7.309 -4.846 -13.808 1.00 1.23 C ATOM 323 OE1 GLU A 20 -6.907 -6.024 -13.716 1.00 32.02 O ATOM 324 OE2 GLU A 20 -8.238 -4.522 -14.580 1.00 31.11 O ATOM 0 H GLU A 20 -4.193 -3.338 -11.849 1.00 43.04 H new ATOM 0 HA GLU A 20 -4.382 -1.149 -13.641 1.00 13.15 H new ATOM 0 HB2 GLU A 20 -6.247 -2.397 -14.591 1.00 74.23 H new ATOM 0 HB3 GLU A 20 -4.920 -3.487 -14.239 1.00 74.23 H new ATOM 0 HG2 GLU A 20 -6.080 -4.224 -12.157 1.00 61.51 H new ATOM 0 HG3 GLU A 20 -7.406 -3.135 -12.509 1.00 61.51 H new ATOM 331 N VAL A 21 -6.461 -1.135 -11.068 1.00 14.35 N ATOM 332 CA VAL A 21 -7.443 -0.321 -10.308 1.00 51.41 C ATOM 333 C VAL A 21 -6.889 1.083 -10.010 1.00 4.22 C ATOM 334 O VAL A 21 -7.630 2.080 -10.064 1.00 73.44 O ATOM 335 CB VAL A 21 -7.884 -1.025 -8.973 1.00 64.02 C ATOM 336 CG1 VAL A 21 -8.865 -0.151 -8.149 1.00 51.11 C ATOM 337 CG2 VAL A 21 -8.505 -2.401 -9.278 1.00 0.53 C ATOM 0 H VAL A 21 -6.145 -1.966 -10.568 1.00 14.35 H new ATOM 0 HA VAL A 21 -8.325 -0.222 -10.940 1.00 51.41 H new ATOM 0 HB VAL A 21 -6.991 -1.164 -8.363 1.00 64.02 H new ATOM 0 HG11 VAL A 21 -9.142 -0.678 -7.236 1.00 51.11 H new ATOM 0 HG12 VAL A 21 -8.384 0.793 -7.892 1.00 51.11 H new ATOM 0 HG13 VAL A 21 -9.760 0.047 -8.739 1.00 51.11 H new ATOM 0 HG21 VAL A 21 -8.806 -2.879 -8.346 1.00 0.53 H new ATOM 0 HG22 VAL A 21 -9.377 -2.272 -9.919 1.00 0.53 H new ATOM 0 HG23 VAL A 21 -7.771 -3.027 -9.786 1.00 0.53 H new ATOM 347 N VAL A 22 -5.574 1.149 -9.722 1.00 2.32 N ATOM 348 CA VAL A 22 -4.859 2.428 -9.551 1.00 61.14 C ATOM 349 C VAL A 22 -4.973 3.262 -10.841 1.00 54.25 C ATOM 350 O VAL A 22 -5.313 4.441 -10.802 1.00 3.24 O ATOM 351 CB VAL A 22 -3.334 2.221 -9.220 1.00 63.45 C ATOM 352 CG1 VAL A 22 -2.643 3.568 -8.930 1.00 21.12 C ATOM 353 CG2 VAL A 22 -3.131 1.235 -8.056 1.00 42.24 C ATOM 0 H VAL A 22 -4.983 0.326 -9.603 1.00 2.32 H new ATOM 0 HA VAL A 22 -5.323 2.945 -8.711 1.00 61.14 H new ATOM 0 HB VAL A 22 -2.867 1.783 -10.102 1.00 63.45 H new ATOM 0 HG11 VAL A 22 -1.591 3.396 -8.704 1.00 21.12 H new ATOM 0 HG12 VAL A 22 -2.726 4.215 -9.803 1.00 21.12 H new ATOM 0 HG13 VAL A 22 -3.123 4.047 -8.077 1.00 21.12 H new ATOM 0 HG21 VAL A 22 -2.065 1.119 -7.859 1.00 42.24 H new ATOM 0 HG22 VAL A 22 -3.626 1.619 -7.164 1.00 42.24 H new ATOM 0 HG23 VAL A 22 -3.558 0.268 -8.320 1.00 42.24 H new ATOM 363 N LEU A 23 -4.749 2.575 -11.978 1.00 65.42 N ATOM 364 CA LEU A 23 -4.712 3.180 -13.322 1.00 5.20 C ATOM 365 C LEU A 23 -6.123 3.606 -13.799 1.00 0.45 C ATOM 366 O LEU A 23 -6.243 4.494 -14.653 1.00 24.11 O ATOM 367 CB LEU A 23 -4.066 2.172 -14.319 1.00 42.42 C ATOM 368 CG LEU A 23 -2.677 1.589 -13.888 1.00 25.22 C ATOM 369 CD1 LEU A 23 -2.195 0.493 -14.860 1.00 13.21 C ATOM 370 CD2 LEU A 23 -1.612 2.698 -13.714 1.00 41.13 C ATOM 0 H LEU A 23 -4.586 1.568 -11.988 1.00 65.42 H new ATOM 0 HA LEU A 23 -4.108 4.086 -13.280 1.00 5.20 H new ATOM 0 HB2 LEU A 23 -4.757 1.343 -14.468 1.00 42.42 H new ATOM 0 HB3 LEU A 23 -3.949 2.667 -15.283 1.00 42.42 H new ATOM 0 HG LEU A 23 -2.818 1.124 -12.912 1.00 25.22 H new ATOM 0 HD11 LEU A 23 -1.229 0.112 -14.529 1.00 13.21 H new ATOM 0 HD12 LEU A 23 -2.919 -0.322 -14.878 1.00 13.21 H new ATOM 0 HD13 LEU A 23 -2.096 0.912 -15.861 1.00 13.21 H new ATOM 0 HD21 LEU A 23 -0.665 2.249 -13.415 1.00 41.13 H new ATOM 0 HD22 LEU A 23 -1.481 3.228 -14.658 1.00 41.13 H new ATOM 0 HD23 LEU A 23 -1.939 3.400 -12.947 1.00 41.13 H new ATOM 382 N LYS A 24 -7.189 2.966 -13.244 1.00 11.45 N ATOM 383 CA LYS A 24 -8.597 3.365 -13.516 1.00 54.42 C ATOM 384 C LYS A 24 -8.867 4.728 -12.857 1.00 21.14 C ATOM 385 O LYS A 24 -9.443 5.637 -13.465 1.00 32.11 O ATOM 386 CB LYS A 24 -9.641 2.342 -12.948 1.00 61.34 C ATOM 387 CG LYS A 24 -9.396 0.852 -13.260 1.00 34.10 C ATOM 388 CD LYS A 24 -9.261 0.511 -14.764 1.00 1.54 C ATOM 389 CE LYS A 24 -8.980 -0.991 -14.979 1.00 21.20 C ATOM 390 NZ LYS A 24 -8.790 -1.338 -16.413 1.00 12.10 N ATOM 0 H LYS A 24 -7.099 2.174 -12.608 1.00 11.45 H new ATOM 0 HA LYS A 24 -8.713 3.403 -14.599 1.00 54.42 H new ATOM 0 HB2 LYS A 24 -9.678 2.461 -11.865 1.00 61.34 H new ATOM 0 HB3 LYS A 24 -10.625 2.612 -13.332 1.00 61.34 H new ATOM 0 HG2 LYS A 24 -8.488 0.534 -12.748 1.00 34.10 H new ATOM 0 HG3 LYS A 24 -10.218 0.269 -12.843 1.00 34.10 H new ATOM 0 HD2 LYS A 24 -10.177 0.789 -15.285 1.00 1.54 H new ATOM 0 HD3 LYS A 24 -8.454 1.100 -15.201 1.00 1.54 H new ATOM 0 HE2 LYS A 24 -8.088 -1.274 -14.419 1.00 21.20 H new ATOM 0 HE3 LYS A 24 -9.808 -1.573 -14.575 1.00 21.20 H new ATOM 0 HZ1 LYS A 24 -8.604 -2.357 -16.502 1.00 12.10 H new ATOM 0 HZ2 LYS A 24 -9.649 -1.095 -16.946 1.00 12.10 H new ATOM 0 HZ3 LYS A 24 -7.983 -0.805 -16.795 1.00 12.10 H new ATOM 404 N SER A 25 -8.428 4.827 -11.591 1.00 62.41 N ATOM 405 CA SER A 25 -8.666 5.986 -10.725 1.00 35.11 C ATOM 406 C SER A 25 -7.853 7.213 -11.188 1.00 52.43 C ATOM 407 O SER A 25 -8.387 8.323 -11.286 1.00 64.51 O ATOM 408 CB SER A 25 -8.305 5.614 -9.270 1.00 12.33 C ATOM 409 OG SER A 25 -9.010 4.457 -8.849 1.00 43.11 O ATOM 0 H SER A 25 -7.889 4.090 -11.136 1.00 62.41 H new ATOM 0 HA SER A 25 -9.720 6.256 -10.784 1.00 35.11 H new ATOM 0 HB2 SER A 25 -7.232 5.439 -9.192 1.00 12.33 H new ATOM 0 HB3 SER A 25 -8.541 6.448 -8.609 1.00 12.33 H new ATOM 0 HG SER A 25 -8.587 3.659 -9.230 1.00 43.11 H new ATOM 415 N ASP A 26 -6.570 6.983 -11.496 1.00 42.50 N ATOM 416 CA ASP A 26 -5.632 8.038 -11.902 1.00 61.52 C ATOM 417 C ASP A 26 -4.377 7.402 -12.534 1.00 22.25 C ATOM 418 O ASP A 26 -3.741 6.545 -11.907 1.00 53.00 O ATOM 419 CB ASP A 26 -5.229 8.930 -10.695 1.00 3.12 C ATOM 420 CG ASP A 26 -4.326 10.101 -11.111 1.00 65.41 C ATOM 421 OD1 ASP A 26 -4.817 11.007 -11.812 1.00 12.43 O ATOM 422 OD2 ASP A 26 -3.129 10.122 -10.751 1.00 34.44 O ATOM 0 H ASP A 26 -6.151 6.053 -11.470 1.00 42.50 H new ATOM 0 HA ASP A 26 -6.128 8.673 -12.636 1.00 61.52 H new ATOM 0 HB2 ASP A 26 -6.128 9.319 -10.218 1.00 3.12 H new ATOM 0 HB3 ASP A 26 -4.712 8.321 -9.953 1.00 3.12 H new ATOM 427 N PRO A 27 -3.986 7.813 -13.779 1.00 34.10 N ATOM 428 CA PRO A 27 -2.826 7.223 -14.478 1.00 64.53 C ATOM 429 C PRO A 27 -1.483 7.880 -14.090 1.00 24.41 C ATOM 430 O PRO A 27 -0.425 7.419 -14.536 1.00 74.30 O ATOM 431 CB PRO A 27 -3.182 7.478 -15.957 1.00 52.31 C ATOM 432 CG PRO A 27 -3.906 8.796 -15.953 1.00 2.13 C ATOM 433 CD PRO A 27 -4.646 8.867 -14.622 1.00 3.23 C ATOM 0 HA PRO A 27 -2.671 6.173 -14.229 1.00 64.53 H new ATOM 0 HB2 PRO A 27 -2.287 7.519 -16.578 1.00 52.31 H new ATOM 0 HB3 PRO A 27 -3.811 6.682 -16.356 1.00 52.31 H new ATOM 0 HG2 PRO A 27 -3.206 9.625 -16.055 1.00 2.13 H new ATOM 0 HG3 PRO A 27 -4.602 8.861 -16.790 1.00 2.13 H new ATOM 0 HD2 PRO A 27 -4.556 9.854 -14.168 1.00 3.23 H new ATOM 0 HD3 PRO A 27 -5.711 8.669 -14.747 1.00 3.23 H new ATOM 441 N ASN A 28 -1.533 8.952 -13.271 1.00 22.22 N ATOM 442 CA ASN A 28 -0.328 9.714 -12.866 1.00 3.31 C ATOM 443 C ASN A 28 0.326 9.091 -11.623 1.00 32.31 C ATOM 444 O ASN A 28 1.530 9.272 -11.411 1.00 52.22 O ATOM 445 CB ASN A 28 -0.666 11.203 -12.588 1.00 34.35 C ATOM 446 CG ASN A 28 -1.316 11.899 -13.780 1.00 64.21 C ATOM 447 OD1 ASN A 28 -0.631 12.446 -14.650 1.00 2.22 O ATOM 448 ND2 ASN A 28 -2.640 11.891 -13.827 1.00 24.42 N ATOM 0 H ASN A 28 -2.401 9.313 -12.874 1.00 22.22 H new ATOM 0 HA ASN A 28 0.376 9.668 -13.697 1.00 3.31 H new ATOM 0 HB2 ASN A 28 -1.335 11.264 -11.730 1.00 34.35 H new ATOM 0 HB3 ASN A 28 0.247 11.733 -12.318 1.00 34.35 H new ATOM 0 HD21 ASN A 28 -3.126 12.347 -14.600 1.00 24.42 H new ATOM 0 HD22 ASN A 28 -3.174 11.429 -13.091 1.00 24.42 H new ATOM 455 N VAL A 29 -0.477 8.367 -10.812 1.00 71.23 N ATOM 456 CA VAL A 29 0.000 7.702 -9.576 1.00 51.23 C ATOM 457 C VAL A 29 1.185 6.771 -9.890 1.00 62.23 C ATOM 458 O VAL A 29 1.056 5.883 -10.744 1.00 13.21 O ATOM 459 CB VAL A 29 -1.132 6.846 -8.887 1.00 23.23 C ATOM 460 CG1 VAL A 29 -0.649 6.241 -7.541 1.00 13.55 C ATOM 461 CG2 VAL A 29 -2.426 7.658 -8.696 1.00 15.11 C ATOM 0 H VAL A 29 -1.471 8.227 -10.994 1.00 71.23 H new ATOM 0 HA VAL A 29 0.306 8.495 -8.894 1.00 51.23 H new ATOM 0 HB VAL A 29 -1.360 6.020 -9.560 1.00 23.23 H new ATOM 0 HG11 VAL A 29 -1.454 5.658 -7.094 1.00 13.55 H new ATOM 0 HG12 VAL A 29 0.211 5.595 -7.720 1.00 13.55 H new ATOM 0 HG13 VAL A 29 -0.364 7.045 -6.862 1.00 13.55 H new ATOM 0 HG21 VAL A 29 -3.181 7.033 -8.219 1.00 15.11 H new ATOM 0 HG22 VAL A 29 -2.222 8.525 -8.067 1.00 15.11 H new ATOM 0 HG23 VAL A 29 -2.793 7.992 -9.667 1.00 15.11 H new ATOM 471 N LYS A 30 2.337 6.992 -9.224 1.00 63.33 N ATOM 472 CA LYS A 30 3.519 6.138 -9.402 1.00 61.13 C ATOM 473 C LYS A 30 3.237 4.749 -8.802 1.00 42.41 C ATOM 474 O LYS A 30 2.726 4.650 -7.696 1.00 43.05 O ATOM 475 CB LYS A 30 4.780 6.784 -8.757 1.00 10.30 C ATOM 476 CG LYS A 30 6.086 5.972 -8.960 1.00 1.15 C ATOM 477 CD LYS A 30 6.391 5.710 -10.457 1.00 2.24 C ATOM 478 CE LYS A 30 7.576 4.759 -10.678 1.00 12.31 C ATOM 479 NZ LYS A 30 8.875 5.338 -10.251 1.00 14.21 N ATOM 0 H LYS A 30 2.469 7.755 -8.560 1.00 63.33 H new ATOM 0 HA LYS A 30 3.724 6.030 -10.467 1.00 61.13 H new ATOM 0 HB2 LYS A 30 4.917 7.781 -9.175 1.00 10.30 H new ATOM 0 HB3 LYS A 30 4.605 6.907 -7.688 1.00 10.30 H new ATOM 0 HG2 LYS A 30 6.920 6.512 -8.511 1.00 1.15 H new ATOM 0 HG3 LYS A 30 6.004 5.020 -8.436 1.00 1.15 H new ATOM 0 HD2 LYS A 30 5.504 5.291 -10.933 1.00 2.24 H new ATOM 0 HD3 LYS A 30 6.599 6.660 -10.950 1.00 2.24 H new ATOM 0 HE2 LYS A 30 7.399 3.834 -10.129 1.00 12.31 H new ATOM 0 HE3 LYS A 30 7.632 4.497 -11.735 1.00 12.31 H new ATOM 0 HZ1 LYS A 30 9.531 5.352 -11.058 1.00 14.21 H new ATOM 0 HZ2 LYS A 30 8.727 6.309 -9.909 1.00 14.21 H new ATOM 0 HZ3 LYS A 30 9.278 4.760 -9.487 1.00 14.21 H new ATOM 493 N THR A 31 3.515 3.681 -9.559 1.00 61.24 N ATOM 494 CA THR A 31 3.303 2.297 -9.099 1.00 74.12 C ATOM 495 C THR A 31 4.565 1.466 -9.335 1.00 5.23 C ATOM 496 O THR A 31 5.200 1.583 -10.386 1.00 21.44 O ATOM 497 CB THR A 31 2.082 1.647 -9.830 1.00 52.23 C ATOM 498 OG1 THR A 31 2.218 1.801 -11.252 1.00 1.13 O ATOM 499 CG2 THR A 31 0.745 2.261 -9.385 1.00 11.21 C ATOM 0 H THR A 31 3.892 3.748 -10.504 1.00 61.24 H new ATOM 0 HA THR A 31 3.087 2.320 -8.031 1.00 74.12 H new ATOM 0 HB THR A 31 2.076 0.590 -9.563 1.00 52.23 H new ATOM 0 HG1 THR A 31 1.383 1.536 -11.691 1.00 1.13 H new ATOM 0 HG21 THR A 31 -0.073 1.778 -9.919 1.00 11.21 H new ATOM 0 HG22 THR A 31 0.616 2.113 -8.313 1.00 11.21 H new ATOM 0 HG23 THR A 31 0.743 3.328 -9.607 1.00 11.21 H new ATOM 507 N VAL A 32 4.934 0.654 -8.327 1.00 23.02 N ATOM 508 CA VAL A 32 6.099 -0.268 -8.384 1.00 3.55 C ATOM 509 C VAL A 32 5.732 -1.561 -7.640 1.00 73.54 C ATOM 510 O VAL A 32 5.217 -1.497 -6.527 1.00 14.13 O ATOM 511 CB VAL A 32 7.417 0.345 -7.735 1.00 3.05 C ATOM 512 CG1 VAL A 32 8.607 -0.647 -7.800 1.00 4.54 C ATOM 513 CG2 VAL A 32 7.808 1.699 -8.374 1.00 73.23 C ATOM 0 H VAL A 32 4.432 0.614 -7.440 1.00 23.02 H new ATOM 0 HA VAL A 32 6.319 -0.453 -9.435 1.00 3.55 H new ATOM 0 HB VAL A 32 7.183 0.527 -6.686 1.00 3.05 H new ATOM 0 HG11 VAL A 32 9.487 -0.190 -7.347 1.00 4.54 H new ATOM 0 HG12 VAL A 32 8.351 -1.558 -7.259 1.00 4.54 H new ATOM 0 HG13 VAL A 32 8.821 -0.891 -8.841 1.00 4.54 H new ATOM 0 HG21 VAL A 32 8.713 2.078 -7.899 1.00 73.23 H new ATOM 0 HG22 VAL A 32 7.989 1.560 -9.440 1.00 73.23 H new ATOM 0 HG23 VAL A 32 6.998 2.415 -8.234 1.00 73.23 H new ATOM 523 N ARG A 33 6.011 -2.733 -8.241 1.00 1.10 N ATOM 524 CA ARG A 33 5.779 -4.037 -7.594 1.00 50.24 C ATOM 525 C ARG A 33 7.144 -4.638 -7.232 1.00 51.03 C ATOM 526 O ARG A 33 7.797 -5.289 -8.055 1.00 61.32 O ATOM 527 CB ARG A 33 4.923 -4.985 -8.492 1.00 12.03 C ATOM 528 CG ARG A 33 4.657 -6.379 -7.869 1.00 10.51 C ATOM 529 CD ARG A 33 3.518 -7.151 -8.553 1.00 74.14 C ATOM 530 NE ARG A 33 3.797 -7.466 -9.961 1.00 41.01 N ATOM 531 CZ ARG A 33 3.470 -8.611 -10.587 1.00 5.01 C ATOM 532 NH1 ARG A 33 2.852 -9.606 -9.940 1.00 23.14 N ATOM 533 NH2 ARG A 33 3.764 -8.755 -11.871 1.00 13.25 N ATOM 0 H ARG A 33 6.400 -2.802 -9.181 1.00 1.10 H new ATOM 0 HA ARG A 33 5.195 -3.903 -6.683 1.00 50.24 H new ATOM 0 HB2 ARG A 33 3.967 -4.504 -8.701 1.00 12.03 H new ATOM 0 HB3 ARG A 33 5.429 -5.117 -9.448 1.00 12.03 H new ATOM 0 HG2 ARG A 33 5.570 -6.972 -7.923 1.00 10.51 H new ATOM 0 HG3 ARG A 33 4.418 -6.256 -6.813 1.00 10.51 H new ATOM 0 HD2 ARG A 33 3.338 -8.078 -8.009 1.00 74.14 H new ATOM 0 HD3 ARG A 33 2.602 -6.563 -8.493 1.00 74.14 H new ATOM 0 HE ARG A 33 4.280 -6.756 -10.511 1.00 41.01 H new ATOM 0 HH11 ARG A 33 2.619 -9.505 -8.952 1.00 23.14 H new ATOM 0 HH12 ARG A 33 2.613 -10.465 -10.435 1.00 23.14 H new ATOM 0 HH21 ARG A 33 4.233 -8.002 -12.374 1.00 13.25 H new ATOM 0 HH22 ARG A 33 3.521 -9.619 -12.356 1.00 13.25 H new ATOM 547 N THR A 34 7.603 -4.309 -6.018 1.00 51.25 N ATOM 548 CA THR A 34 8.909 -4.730 -5.489 1.00 0.43 C ATOM 549 C THR A 34 8.745 -5.486 -4.160 1.00 73.21 C ATOM 550 O THR A 34 7.875 -5.147 -3.354 1.00 22.14 O ATOM 551 CB THR A 34 9.852 -3.493 -5.302 1.00 4.22 C ATOM 552 OG1 THR A 34 11.096 -3.883 -4.696 1.00 12.22 O ATOM 553 CG2 THR A 34 9.202 -2.376 -4.463 1.00 22.52 C ATOM 0 H THR A 34 7.070 -3.734 -5.365 1.00 51.25 H new ATOM 0 HA THR A 34 9.364 -5.407 -6.212 1.00 0.43 H new ATOM 0 HB THR A 34 10.039 -3.097 -6.300 1.00 4.22 H new ATOM 0 HG1 THR A 34 11.144 -3.523 -3.786 1.00 12.22 H new ATOM 0 HG21 THR A 34 9.898 -1.543 -4.364 1.00 22.52 H new ATOM 0 HG22 THR A 34 8.293 -2.033 -4.956 1.00 22.52 H new ATOM 0 HG23 THR A 34 8.955 -2.761 -3.474 1.00 22.52 H new ATOM 561 N ASP A 35 9.590 -6.506 -3.940 1.00 20.41 N ATOM 562 CA ASP A 35 9.726 -7.172 -2.633 1.00 73.13 C ATOM 563 C ASP A 35 10.823 -6.487 -1.793 1.00 53.15 C ATOM 564 O ASP A 35 10.819 -6.582 -0.561 1.00 44.11 O ATOM 565 CB ASP A 35 10.013 -8.693 -2.796 1.00 54.21 C ATOM 566 CG ASP A 35 11.336 -9.016 -3.522 1.00 43.33 C ATOM 567 OD1 ASP A 35 11.335 -9.100 -4.769 1.00 22.15 O ATOM 568 OD2 ASP A 35 12.378 -9.202 -2.852 1.00 24.34 O ATOM 0 H ASP A 35 10.198 -6.893 -4.662 1.00 20.41 H new ATOM 0 HA ASP A 35 8.777 -7.076 -2.105 1.00 73.13 H new ATOM 0 HB2 ASP A 35 10.032 -9.155 -1.809 1.00 54.21 H new ATOM 0 HB3 ASP A 35 9.190 -9.149 -3.346 1.00 54.21 H new ATOM 573 N ASP A 36 11.752 -5.787 -2.475 1.00 15.23 N ATOM 574 CA ASP A 36 12.864 -5.068 -1.821 1.00 14.43 C ATOM 575 C ASP A 36 12.334 -3.836 -1.078 1.00 60.53 C ATOM 576 O ASP A 36 11.898 -2.872 -1.720 1.00 12.51 O ATOM 577 CB ASP A 36 13.923 -4.617 -2.857 1.00 75.04 C ATOM 578 CG ASP A 36 14.536 -5.796 -3.620 1.00 62.42 C ATOM 579 OD1 ASP A 36 15.467 -6.446 -3.094 1.00 34.12 O ATOM 580 OD2 ASP A 36 14.093 -6.075 -4.753 1.00 64.44 O ATOM 0 H ASP A 36 11.753 -5.704 -3.492 1.00 15.23 H new ATOM 0 HA ASP A 36 13.332 -5.753 -1.114 1.00 14.43 H new ATOM 0 HB2 ASP A 36 13.463 -3.929 -3.566 1.00 75.04 H new ATOM 0 HB3 ASP A 36 14.714 -4.067 -2.347 1.00 75.04 H new ATOM 585 N LYS A 37 12.365 -3.894 0.267 1.00 2.35 N ATOM 586 CA LYS A 37 11.977 -2.766 1.143 1.00 61.00 C ATOM 587 C LYS A 37 12.905 -1.548 0.948 1.00 52.31 C ATOM 588 O LYS A 37 12.510 -0.414 1.234 1.00 4.22 O ATOM 589 CB LYS A 37 11.879 -3.189 2.651 1.00 55.43 C ATOM 590 CG LYS A 37 13.150 -3.757 3.347 1.00 4.12 C ATOM 591 CD LYS A 37 13.481 -5.216 2.955 1.00 11.12 C ATOM 592 CE LYS A 37 14.517 -5.872 3.891 1.00 33.44 C ATOM 593 NZ LYS A 37 15.793 -5.116 3.990 1.00 20.03 N ATOM 0 H LYS A 37 12.660 -4.725 0.780 1.00 2.35 H new ATOM 0 HA LYS A 37 10.975 -2.462 0.839 1.00 61.00 H new ATOM 0 HB2 LYS A 37 11.551 -2.318 3.219 1.00 55.43 H new ATOM 0 HB3 LYS A 37 11.092 -3.939 2.735 1.00 55.43 H new ATOM 0 HG2 LYS A 37 14.001 -3.123 3.100 1.00 4.12 H new ATOM 0 HG3 LYS A 37 13.015 -3.703 4.427 1.00 4.12 H new ATOM 0 HD2 LYS A 37 12.565 -5.806 2.966 1.00 11.12 H new ATOM 0 HD3 LYS A 37 13.860 -5.235 1.933 1.00 11.12 H new ATOM 0 HE2 LYS A 37 14.084 -5.970 4.887 1.00 33.44 H new ATOM 0 HE3 LYS A 37 14.729 -6.880 3.535 1.00 33.44 H new ATOM 0 HZ1 LYS A 37 16.550 -5.648 3.515 1.00 20.03 H new ATOM 0 HZ2 LYS A 37 15.683 -4.188 3.533 1.00 20.03 H new ATOM 0 HZ3 LYS A 37 16.040 -4.982 4.991 1.00 20.03 H new ATOM 607 N GLU A 38 14.125 -1.802 0.430 1.00 23.45 N ATOM 608 CA GLU A 38 15.086 -0.749 0.016 1.00 53.11 C ATOM 609 C GLU A 38 14.501 0.103 -1.123 1.00 34.31 C ATOM 610 O GLU A 38 14.445 1.335 -1.026 1.00 34.10 O ATOM 611 CB GLU A 38 16.439 -1.385 -0.441 1.00 10.24 C ATOM 612 CG GLU A 38 17.318 -1.949 0.694 1.00 14.43 C ATOM 613 CD GLU A 38 16.626 -3.001 1.569 1.00 3.51 C ATOM 614 OE1 GLU A 38 16.384 -2.726 2.763 1.00 44.40 O ATOM 615 OE2 GLU A 38 16.291 -4.098 1.057 1.00 11.34 O ATOM 0 H GLU A 38 14.477 -2.748 0.285 1.00 23.45 H new ATOM 0 HA GLU A 38 15.271 -0.107 0.877 1.00 53.11 H new ATOM 0 HB2 GLU A 38 16.224 -2.188 -1.146 1.00 10.24 H new ATOM 0 HB3 GLU A 38 17.012 -0.631 -0.982 1.00 10.24 H new ATOM 0 HG2 GLU A 38 18.214 -2.390 0.258 1.00 14.43 H new ATOM 0 HG3 GLU A 38 17.644 -1.125 1.328 1.00 14.43 H new ATOM 622 N LYS A 39 14.030 -0.598 -2.178 1.00 40.11 N ATOM 623 CA LYS A 39 13.463 0.023 -3.386 1.00 20.24 C ATOM 624 C LYS A 39 12.243 0.894 -3.045 1.00 2.14 C ATOM 625 O LYS A 39 12.111 1.997 -3.569 1.00 31.55 O ATOM 626 CB LYS A 39 13.097 -1.077 -4.421 1.00 25.00 C ATOM 627 CG LYS A 39 12.422 -0.588 -5.732 1.00 41.53 C ATOM 628 CD LYS A 39 13.281 0.420 -6.531 1.00 51.14 C ATOM 629 CE LYS A 39 12.606 0.849 -7.845 1.00 42.10 C ATOM 630 NZ LYS A 39 13.320 1.989 -8.481 1.00 25.43 N ATOM 0 H LYS A 39 14.035 -1.617 -2.211 1.00 40.11 H new ATOM 0 HA LYS A 39 14.214 0.680 -3.825 1.00 20.24 H new ATOM 0 HB2 LYS A 39 14.007 -1.616 -4.685 1.00 25.00 H new ATOM 0 HB3 LYS A 39 12.431 -1.793 -3.939 1.00 25.00 H new ATOM 0 HG2 LYS A 39 12.207 -1.450 -6.363 1.00 41.53 H new ATOM 0 HG3 LYS A 39 11.466 -0.125 -5.488 1.00 41.53 H new ATOM 0 HD2 LYS A 39 13.469 1.301 -5.917 1.00 51.14 H new ATOM 0 HD3 LYS A 39 14.250 -0.027 -6.752 1.00 51.14 H new ATOM 0 HE2 LYS A 39 12.581 0.005 -8.534 1.00 42.10 H new ATOM 0 HE3 LYS A 39 11.572 1.131 -7.648 1.00 42.10 H new ATOM 0 HZ1 LYS A 39 13.070 2.036 -9.489 1.00 25.43 H new ATOM 0 HZ2 LYS A 39 13.044 2.876 -8.014 1.00 25.43 H new ATOM 0 HZ3 LYS A 39 14.347 1.853 -8.385 1.00 25.43 H new ATOM 644 N VAL A 40 11.393 0.395 -2.122 1.00 25.01 N ATOM 645 CA VAL A 40 10.177 1.099 -1.681 1.00 0.33 C ATOM 646 C VAL A 40 10.510 2.504 -1.137 1.00 72.05 C ATOM 647 O VAL A 40 9.915 3.492 -1.562 1.00 11.52 O ATOM 648 CB VAL A 40 9.400 0.296 -0.576 1.00 25.11 C ATOM 649 CG1 VAL A 40 8.069 0.994 -0.227 1.00 10.55 C ATOM 650 CG2 VAL A 40 9.165 -1.174 -1.000 1.00 13.40 C ATOM 0 H VAL A 40 11.533 -0.506 -1.664 1.00 25.01 H new ATOM 0 HA VAL A 40 9.540 1.190 -2.561 1.00 0.33 H new ATOM 0 HB VAL A 40 10.021 0.280 0.320 1.00 25.11 H new ATOM 0 HG11 VAL A 40 7.548 0.421 0.540 1.00 10.55 H new ATOM 0 HG12 VAL A 40 8.271 1.998 0.145 1.00 10.55 H new ATOM 0 HG13 VAL A 40 7.446 1.057 -1.119 1.00 10.55 H new ATOM 0 HG21 VAL A 40 8.625 -1.698 -0.211 1.00 13.40 H new ATOM 0 HG22 VAL A 40 8.579 -1.198 -1.919 1.00 13.40 H new ATOM 0 HG23 VAL A 40 10.125 -1.662 -1.169 1.00 13.40 H new ATOM 660 N LYS A 41 11.504 2.562 -0.231 1.00 63.04 N ATOM 661 CA LYS A 41 11.889 3.801 0.484 1.00 34.52 C ATOM 662 C LYS A 41 12.457 4.861 -0.474 1.00 13.51 C ATOM 663 O LYS A 41 12.215 6.066 -0.290 1.00 1.22 O ATOM 664 CB LYS A 41 12.912 3.479 1.594 1.00 62.21 C ATOM 665 CG LYS A 41 12.382 2.506 2.664 1.00 13.11 C ATOM 666 CD LYS A 41 13.471 2.113 3.683 1.00 61.32 C ATOM 667 CE LYS A 41 13.014 1.005 4.636 1.00 71.53 C ATOM 668 NZ LYS A 41 14.114 0.559 5.539 1.00 44.42 N ATOM 0 H LYS A 41 12.066 1.751 0.029 1.00 63.04 H new ATOM 0 HA LYS A 41 10.988 4.216 0.935 1.00 34.52 H new ATOM 0 HB2 LYS A 41 13.806 3.052 1.139 1.00 62.21 H new ATOM 0 HB3 LYS A 41 13.213 4.408 2.078 1.00 62.21 H new ATOM 0 HG2 LYS A 41 11.545 2.966 3.189 1.00 13.11 H new ATOM 0 HG3 LYS A 41 11.999 1.608 2.179 1.00 13.11 H new ATOM 0 HD2 LYS A 41 14.361 1.783 3.148 1.00 61.32 H new ATOM 0 HD3 LYS A 41 13.755 2.991 4.263 1.00 61.32 H new ATOM 0 HE2 LYS A 41 12.176 1.363 5.234 1.00 71.53 H new ATOM 0 HE3 LYS A 41 12.652 0.155 4.057 1.00 71.53 H new ATOM 0 HZ1 LYS A 41 13.933 -0.417 5.851 1.00 44.42 H new ATOM 0 HZ2 LYS A 41 15.019 0.597 5.029 1.00 44.42 H new ATOM 0 HZ3 LYS A 41 14.158 1.185 6.368 1.00 44.42 H new ATOM 682 N GLU A 42 13.219 4.394 -1.486 1.00 52.00 N ATOM 683 CA GLU A 42 13.753 5.253 -2.561 1.00 42.05 C ATOM 684 C GLU A 42 12.587 5.931 -3.298 1.00 52.13 C ATOM 685 O GLU A 42 12.543 7.159 -3.426 1.00 41.04 O ATOM 686 CB GLU A 42 14.616 4.417 -3.554 1.00 25.40 C ATOM 687 CG GLU A 42 15.832 3.718 -2.912 1.00 53.41 C ATOM 688 CD GLU A 42 16.646 2.873 -3.913 1.00 64.45 C ATOM 689 OE1 GLU A 42 16.272 1.710 -4.173 1.00 62.22 O ATOM 690 OE2 GLU A 42 17.656 3.376 -4.462 1.00 40.52 O ATOM 0 H GLU A 42 13.480 3.412 -1.579 1.00 52.00 H new ATOM 0 HA GLU A 42 14.393 6.018 -2.122 1.00 42.05 H new ATOM 0 HB2 GLU A 42 13.983 3.662 -4.019 1.00 25.40 H new ATOM 0 HB3 GLU A 42 14.968 5.072 -4.350 1.00 25.40 H new ATOM 0 HG2 GLU A 42 16.483 4.471 -2.468 1.00 53.41 H new ATOM 0 HG3 GLU A 42 15.488 3.077 -2.101 1.00 53.41 H new ATOM 697 N GLU A 43 11.606 5.101 -3.686 1.00 24.23 N ATOM 698 CA GLU A 43 10.421 5.526 -4.442 1.00 40.42 C ATOM 699 C GLU A 43 9.502 6.465 -3.618 1.00 23.32 C ATOM 700 O GLU A 43 8.828 7.329 -4.197 1.00 33.30 O ATOM 701 CB GLU A 43 9.633 4.278 -4.915 1.00 15.42 C ATOM 702 CG GLU A 43 10.402 3.332 -5.851 1.00 13.01 C ATOM 703 CD GLU A 43 10.912 4.025 -7.123 1.00 1.53 C ATOM 704 OE1 GLU A 43 12.124 4.330 -7.214 1.00 24.41 O ATOM 705 OE2 GLU A 43 10.103 4.265 -8.036 1.00 1.24 O ATOM 0 H GLU A 43 11.615 4.102 -3.480 1.00 24.23 H new ATOM 0 HA GLU A 43 10.764 6.096 -5.306 1.00 40.42 H new ATOM 0 HB2 GLU A 43 9.315 3.715 -4.037 1.00 15.42 H new ATOM 0 HB3 GLU A 43 8.729 4.611 -5.425 1.00 15.42 H new ATOM 0 HG2 GLU A 43 11.249 2.907 -5.312 1.00 13.01 H new ATOM 0 HG3 GLU A 43 9.753 2.502 -6.132 1.00 13.01 H new ATOM 712 N ILE A 44 9.490 6.279 -2.276 1.00 43.12 N ATOM 713 CA ILE A 44 8.718 7.125 -1.333 1.00 13.23 C ATOM 714 C ILE A 44 9.122 8.606 -1.483 1.00 12.14 C ATOM 715 O ILE A 44 8.269 9.474 -1.696 1.00 15.15 O ATOM 716 CB ILE A 44 8.916 6.633 0.167 1.00 34.53 C ATOM 717 CG1 ILE A 44 8.166 5.282 0.403 1.00 45.55 C ATOM 718 CG2 ILE A 44 8.475 7.698 1.207 1.00 12.32 C ATOM 719 CD1 ILE A 44 8.331 4.682 1.792 1.00 64.33 C ATOM 0 H ILE A 44 10.017 5.536 -1.816 1.00 43.12 H new ATOM 0 HA ILE A 44 7.660 7.031 -1.578 1.00 13.23 H new ATOM 0 HB ILE A 44 9.985 6.475 0.314 1.00 34.53 H new ATOM 0 HG12 ILE A 44 7.103 5.438 0.216 1.00 45.55 H new ATOM 0 HG13 ILE A 44 8.516 4.557 -0.332 1.00 45.55 H new ATOM 0 HG21 ILE A 44 8.632 7.310 2.214 1.00 12.32 H new ATOM 0 HG22 ILE A 44 9.065 8.605 1.072 1.00 12.32 H new ATOM 0 HG23 ILE A 44 7.419 7.928 1.067 1.00 12.32 H new ATOM 0 HD11 ILE A 44 7.773 3.748 1.853 1.00 64.33 H new ATOM 0 HD12 ILE A 44 9.387 4.487 1.981 1.00 64.33 H new ATOM 0 HD13 ILE A 44 7.952 5.381 2.538 1.00 64.33 H new ATOM 731 N GLU A 45 10.447 8.854 -1.422 1.00 14.30 N ATOM 732 CA GLU A 45 11.032 10.211 -1.517 1.00 24.22 C ATOM 733 C GLU A 45 10.764 10.859 -2.887 1.00 74.23 C ATOM 734 O GLU A 45 10.516 12.070 -2.973 1.00 34.11 O ATOM 735 CB GLU A 45 12.557 10.156 -1.281 1.00 72.10 C ATOM 736 CG GLU A 45 12.986 9.522 0.046 1.00 40.23 C ATOM 737 CD GLU A 45 14.513 9.465 0.197 1.00 44.23 C ATOM 738 OE1 GLU A 45 15.125 8.453 -0.206 1.00 72.02 O ATOM 739 OE2 GLU A 45 15.112 10.450 0.687 1.00 73.34 O ATOM 0 H GLU A 45 11.144 8.118 -1.305 1.00 14.30 H new ATOM 0 HA GLU A 45 10.554 10.818 -0.748 1.00 24.22 H new ATOM 0 HB2 GLU A 45 13.016 9.598 -2.098 1.00 72.10 H new ATOM 0 HB3 GLU A 45 12.953 11.171 -1.326 1.00 72.10 H new ATOM 0 HG2 GLU A 45 12.562 10.092 0.873 1.00 40.23 H new ATOM 0 HG3 GLU A 45 12.578 8.513 0.113 1.00 40.23 H new ATOM 746 N LYS A 46 10.830 10.030 -3.945 1.00 64.00 N ATOM 747 CA LYS A 46 10.700 10.485 -5.340 1.00 3.32 C ATOM 748 C LYS A 46 9.274 11.002 -5.615 1.00 5.33 C ATOM 749 O LYS A 46 9.089 12.185 -5.934 1.00 61.52 O ATOM 750 CB LYS A 46 11.089 9.333 -6.309 1.00 71.35 C ATOM 751 CG LYS A 46 12.549 8.848 -6.133 1.00 32.51 C ATOM 752 CD LYS A 46 12.931 7.680 -7.070 1.00 2.44 C ATOM 753 CE LYS A 46 12.877 8.057 -8.559 1.00 3.44 C ATOM 754 NZ LYS A 46 13.747 9.228 -8.872 1.00 52.44 N ATOM 0 H LYS A 46 10.975 9.024 -3.856 1.00 64.00 H new ATOM 0 HA LYS A 46 11.383 11.317 -5.509 1.00 3.32 H new ATOM 0 HB2 LYS A 46 10.413 8.492 -6.152 1.00 71.35 H new ATOM 0 HB3 LYS A 46 10.947 9.669 -7.336 1.00 71.35 H new ATOM 0 HG2 LYS A 46 13.225 9.684 -6.314 1.00 32.51 H new ATOM 0 HG3 LYS A 46 12.697 8.537 -5.099 1.00 32.51 H new ATOM 0 HD2 LYS A 46 13.937 7.339 -6.824 1.00 2.44 H new ATOM 0 HD3 LYS A 46 12.258 6.842 -6.889 1.00 2.44 H new ATOM 0 HE2 LYS A 46 13.189 7.203 -9.161 1.00 3.44 H new ATOM 0 HE3 LYS A 46 11.848 8.285 -8.838 1.00 3.44 H new ATOM 0 HZ1 LYS A 46 13.801 9.354 -9.903 1.00 52.44 H new ATOM 0 HZ2 LYS A 46 13.346 10.084 -8.439 1.00 52.44 H new ATOM 0 HZ3 LYS A 46 14.701 9.063 -8.493 1.00 52.44 H new ATOM 768 N ALA A 47 8.277 10.118 -5.418 1.00 41.12 N ATOM 769 CA ALA A 47 6.851 10.431 -5.659 1.00 44.44 C ATOM 770 C ALA A 47 6.332 11.542 -4.721 1.00 43.33 C ATOM 771 O ALA A 47 5.436 12.314 -5.101 1.00 34.24 O ATOM 772 CB ALA A 47 6.003 9.161 -5.523 1.00 34.35 C ATOM 0 H ALA A 47 8.435 9.166 -5.087 1.00 41.12 H new ATOM 0 HA ALA A 47 6.763 10.810 -6.677 1.00 44.44 H new ATOM 0 HB1 ALA A 47 4.955 9.402 -5.702 1.00 34.35 H new ATOM 0 HB2 ALA A 47 6.335 8.422 -6.252 1.00 34.35 H new ATOM 0 HB3 ALA A 47 6.115 8.755 -4.518 1.00 34.35 H new ATOM 778 N ARG A 48 6.915 11.614 -3.501 1.00 34.21 N ATOM 779 CA ARG A 48 6.624 12.680 -2.518 1.00 24.55 C ATOM 780 C ARG A 48 6.899 14.073 -3.114 1.00 53.05 C ATOM 781 O ARG A 48 6.010 14.928 -3.139 1.00 15.23 O ATOM 782 CB ARG A 48 7.496 12.484 -1.251 1.00 23.42 C ATOM 783 CG ARG A 48 7.310 13.549 -0.149 1.00 73.22 C ATOM 784 CD ARG A 48 8.321 13.397 1.002 1.00 51.32 C ATOM 785 NE ARG A 48 8.063 14.361 2.083 1.00 61.14 N ATOM 786 CZ ARG A 48 8.889 14.624 3.108 1.00 44.31 C ATOM 787 NH1 ARG A 48 10.064 14.000 3.231 1.00 52.53 N ATOM 788 NH2 ARG A 48 8.516 15.503 4.025 1.00 43.31 N ATOM 0 H ARG A 48 7.600 10.934 -3.172 1.00 34.21 H new ATOM 0 HA ARG A 48 5.568 12.615 -2.254 1.00 24.55 H new ATOM 0 HB2 ARG A 48 7.276 11.504 -0.827 1.00 23.42 H new ATOM 0 HB3 ARG A 48 8.544 12.474 -1.550 1.00 23.42 H new ATOM 0 HG2 ARG A 48 7.412 14.541 -0.588 1.00 73.22 H new ATOM 0 HG3 ARG A 48 6.298 13.480 0.250 1.00 73.22 H new ATOM 0 HD2 ARG A 48 8.271 12.383 1.399 1.00 51.32 H new ATOM 0 HD3 ARG A 48 9.332 13.540 0.620 1.00 51.32 H new ATOM 0 HE ARG A 48 7.181 14.873 2.051 1.00 61.14 H new ATOM 0 HH11 ARG A 48 10.349 13.308 2.538 1.00 52.53 H new ATOM 0 HH12 ARG A 48 10.676 14.216 4.018 1.00 52.53 H new ATOM 0 HH21 ARG A 48 7.612 15.969 3.947 1.00 43.31 H new ATOM 0 HH22 ARG A 48 9.132 15.714 4.810 1.00 43.31 H new ATOM 802 N LYS A 49 8.137 14.261 -3.616 1.00 43.11 N ATOM 803 CA LYS A 49 8.607 15.553 -4.155 1.00 23.13 C ATOM 804 C LYS A 49 7.933 15.890 -5.504 1.00 72.23 C ATOM 805 O LYS A 49 7.846 17.066 -5.880 1.00 33.24 O ATOM 806 CB LYS A 49 10.151 15.549 -4.300 1.00 51.41 C ATOM 807 CG LYS A 49 10.931 15.537 -2.967 1.00 31.01 C ATOM 808 CD LYS A 49 12.476 15.515 -3.144 1.00 63.04 C ATOM 809 CE LYS A 49 13.069 16.785 -3.803 1.00 21.14 C ATOM 810 NZ LYS A 49 12.841 16.865 -5.279 1.00 51.14 N ATOM 0 H LYS A 49 8.838 13.522 -3.659 1.00 43.11 H new ATOM 0 HA LYS A 49 8.323 16.330 -3.446 1.00 23.13 H new ATOM 0 HB2 LYS A 49 10.444 14.676 -4.883 1.00 51.41 H new ATOM 0 HB3 LYS A 49 10.450 16.428 -4.871 1.00 51.41 H new ATOM 0 HG2 LYS A 49 10.654 16.417 -2.387 1.00 31.01 H new ATOM 0 HG3 LYS A 49 10.629 14.665 -2.388 1.00 31.01 H new ATOM 0 HD2 LYS A 49 12.938 15.380 -2.166 1.00 63.04 H new ATOM 0 HD3 LYS A 49 12.747 14.649 -3.747 1.00 63.04 H new ATOM 0 HE2 LYS A 49 12.633 17.665 -3.330 1.00 21.14 H new ATOM 0 HE3 LYS A 49 14.141 16.816 -3.609 1.00 21.14 H new ATOM 0 HZ1 LYS A 49 13.741 17.070 -5.759 1.00 51.14 H new ATOM 0 HZ2 LYS A 49 12.465 15.958 -5.622 1.00 51.14 H new ATOM 0 HZ3 LYS A 49 12.159 17.623 -5.484 1.00 51.14 H new ATOM 824 N GLN A 50 7.461 14.848 -6.220 1.00 61.54 N ATOM 825 CA GLN A 50 6.659 15.018 -7.455 1.00 0.55 C ATOM 826 C GLN A 50 5.255 15.555 -7.125 1.00 62.14 C ATOM 827 O GLN A 50 4.589 16.136 -7.987 1.00 60.14 O ATOM 828 CB GLN A 50 6.550 13.683 -8.239 1.00 3.12 C ATOM 829 CG GLN A 50 7.888 13.171 -8.788 1.00 72.41 C ATOM 830 CD GLN A 50 7.764 11.845 -9.532 1.00 5.51 C ATOM 831 OE1 GLN A 50 7.870 10.768 -8.940 1.00 42.23 O ATOM 832 NE2 GLN A 50 7.545 11.902 -10.839 1.00 63.25 N ATOM 0 H GLN A 50 7.622 13.874 -5.964 1.00 61.54 H new ATOM 0 HA GLN A 50 7.172 15.745 -8.085 1.00 0.55 H new ATOM 0 HB2 GLN A 50 6.123 12.923 -7.585 1.00 3.12 H new ATOM 0 HB3 GLN A 50 5.856 13.816 -9.069 1.00 3.12 H new ATOM 0 HG2 GLN A 50 8.308 13.919 -9.460 1.00 72.41 H new ATOM 0 HG3 GLN A 50 8.591 13.053 -7.963 1.00 72.41 H new ATOM 0 HE21 GLN A 50 7.461 12.806 -11.303 1.00 63.25 H new ATOM 0 HE22 GLN A 50 7.460 11.041 -11.380 1.00 63.25 H new ATOM 841 N GLY A 51 4.821 15.350 -5.872 1.00 45.21 N ATOM 842 CA GLY A 51 3.514 15.814 -5.409 1.00 74.15 C ATOM 843 C GLY A 51 2.381 14.915 -5.870 1.00 63.15 C ATOM 844 O GLY A 51 1.243 15.357 -6.003 1.00 0.21 O ATOM 0 H GLY A 51 5.364 14.862 -5.160 1.00 45.21 H new ATOM 0 HA2 GLY A 51 3.514 15.863 -4.320 1.00 74.15 H new ATOM 0 HA3 GLY A 51 3.341 16.827 -5.774 1.00 74.15 H new ATOM 848 N ARG A 52 2.705 13.638 -6.106 1.00 31.54 N ATOM 849 CA ARG A 52 1.731 12.608 -6.509 1.00 61.12 C ATOM 850 C ARG A 52 1.755 11.462 -5.469 1.00 3.25 C ATOM 851 O ARG A 52 2.700 11.374 -4.668 1.00 32.34 O ATOM 852 CB ARG A 52 2.030 12.099 -7.955 1.00 45.22 C ATOM 853 CG ARG A 52 3.428 11.472 -8.172 1.00 44.11 C ATOM 854 CD ARG A 52 3.694 11.152 -9.660 1.00 11.13 C ATOM 855 NE ARG A 52 3.580 12.361 -10.502 1.00 74.11 N ATOM 856 CZ ARG A 52 3.301 12.387 -11.818 1.00 21.13 C ATOM 857 NH1 ARG A 52 3.099 11.266 -12.513 1.00 4.44 N ATOM 858 NH2 ARG A 52 3.203 13.556 -12.435 1.00 3.43 N ATOM 0 H ARG A 52 3.658 13.284 -6.023 1.00 31.54 H new ATOM 0 HA ARG A 52 0.727 13.033 -6.532 1.00 61.12 H new ATOM 0 HB2 ARG A 52 1.275 11.360 -8.223 1.00 45.22 H new ATOM 0 HB3 ARG A 52 1.916 12.935 -8.645 1.00 45.22 H new ATOM 0 HG2 ARG A 52 4.193 12.157 -7.806 1.00 44.11 H new ATOM 0 HG3 ARG A 52 3.511 10.558 -7.584 1.00 44.11 H new ATOM 0 HD2 ARG A 52 4.691 10.724 -9.769 1.00 11.13 H new ATOM 0 HD3 ARG A 52 2.985 10.399 -10.004 1.00 11.13 H new ATOM 0 HE ARG A 52 3.727 13.260 -10.043 1.00 74.11 H new ATOM 0 HH11 ARG A 52 3.155 10.360 -12.047 1.00 4.44 H new ATOM 0 HH12 ARG A 52 2.889 11.315 -13.510 1.00 4.44 H new ATOM 0 HH21 ARG A 52 3.339 14.421 -11.912 1.00 3.43 H new ATOM 0 HH22 ARG A 52 2.992 13.590 -13.432 1.00 3.43 H new ATOM 872 N PRO A 53 0.684 10.616 -5.392 1.00 62.00 N ATOM 873 CA PRO A 53 0.723 9.395 -4.563 1.00 62.52 C ATOM 874 C PRO A 53 1.574 8.288 -5.208 1.00 33.15 C ATOM 875 O PRO A 53 2.064 8.425 -6.343 1.00 74.25 O ATOM 876 CB PRO A 53 -0.759 8.977 -4.477 1.00 52.05 C ATOM 877 CG PRO A 53 -1.355 9.480 -5.755 1.00 4.04 C ATOM 878 CD PRO A 53 -0.646 10.784 -6.054 1.00 40.31 C ATOM 0 HA PRO A 53 1.180 9.567 -3.589 1.00 62.52 H new ATOM 0 HB2 PRO A 53 -0.864 7.896 -4.387 1.00 52.05 H new ATOM 0 HB3 PRO A 53 -1.248 9.418 -3.608 1.00 52.05 H new ATOM 0 HG2 PRO A 53 -1.211 8.762 -6.563 1.00 4.04 H new ATOM 0 HG3 PRO A 53 -2.429 9.633 -5.652 1.00 4.04 H new ATOM 0 HD2 PRO A 53 -0.543 10.948 -7.127 1.00 40.31 H new ATOM 0 HD3 PRO A 53 -1.190 11.638 -5.651 1.00 40.31 H new ATOM 886 N ILE A 54 1.717 7.188 -4.473 1.00 70.40 N ATOM 887 CA ILE A 54 2.449 6.016 -4.926 1.00 11.03 C ATOM 888 C ILE A 54 1.824 4.759 -4.314 1.00 54.22 C ATOM 889 O ILE A 54 1.428 4.767 -3.156 1.00 61.40 O ATOM 890 CB ILE A 54 3.979 6.132 -4.578 1.00 74.45 C ATOM 891 CG1 ILE A 54 4.769 4.916 -5.130 1.00 2.01 C ATOM 892 CG2 ILE A 54 4.226 6.320 -3.059 1.00 3.24 C ATOM 893 CD1 ILE A 54 6.264 5.049 -5.001 1.00 71.03 C ATOM 0 H ILE A 54 1.323 7.088 -3.538 1.00 70.40 H new ATOM 0 HA ILE A 54 2.378 5.947 -6.012 1.00 11.03 H new ATOM 0 HB ILE A 54 4.350 7.031 -5.070 1.00 74.45 H new ATOM 0 HG12 ILE A 54 4.447 4.017 -4.604 1.00 2.01 H new ATOM 0 HG13 ILE A 54 4.516 4.778 -6.181 1.00 2.01 H new ATOM 0 HG21 ILE A 54 5.297 6.395 -2.871 1.00 3.24 H new ATOM 0 HG22 ILE A 54 3.734 7.232 -2.720 1.00 3.24 H new ATOM 0 HG23 ILE A 54 3.821 5.466 -2.516 1.00 3.24 H new ATOM 0 HD11 ILE A 54 6.745 4.160 -5.409 1.00 71.03 H new ATOM 0 HD12 ILE A 54 6.600 5.928 -5.551 1.00 71.03 H new ATOM 0 HD13 ILE A 54 6.530 5.156 -3.949 1.00 71.03 H new ATOM 905 N VAL A 55 1.692 3.694 -5.123 1.00 72.42 N ATOM 906 CA VAL A 55 1.160 2.404 -4.680 1.00 2.35 C ATOM 907 C VAL A 55 2.225 1.332 -4.953 1.00 21.33 C ATOM 908 O VAL A 55 2.621 1.094 -6.109 1.00 32.44 O ATOM 909 CB VAL A 55 -0.203 2.035 -5.388 1.00 20.31 C ATOM 910 CG1 VAL A 55 -0.808 0.751 -4.785 1.00 21.11 C ATOM 911 CG2 VAL A 55 -1.215 3.205 -5.310 1.00 61.52 C ATOM 0 H VAL A 55 1.955 3.709 -6.108 1.00 72.42 H new ATOM 0 HA VAL A 55 0.937 2.462 -3.615 1.00 2.35 H new ATOM 0 HB VAL A 55 0.013 1.850 -6.440 1.00 20.31 H new ATOM 0 HG11 VAL A 55 -1.746 0.519 -5.290 1.00 21.11 H new ATOM 0 HG12 VAL A 55 -0.111 -0.076 -4.916 1.00 21.11 H new ATOM 0 HG13 VAL A 55 -0.996 0.902 -3.722 1.00 21.11 H new ATOM 0 HG21 VAL A 55 -2.142 2.918 -5.807 1.00 61.52 H new ATOM 0 HG22 VAL A 55 -1.420 3.439 -4.266 1.00 61.52 H new ATOM 0 HG23 VAL A 55 -0.796 4.082 -5.803 1.00 61.52 H new ATOM 921 N ILE A 56 2.704 0.722 -3.874 1.00 45.50 N ATOM 922 CA ILE A 56 3.742 -0.299 -3.899 1.00 35.20 C ATOM 923 C ILE A 56 3.084 -1.656 -3.645 1.00 54.43 C ATOM 924 O ILE A 56 2.275 -1.794 -2.727 1.00 54.34 O ATOM 925 CB ILE A 56 4.846 -0.018 -2.814 1.00 75.23 C ATOM 926 CG1 ILE A 56 5.541 1.362 -3.062 1.00 51.35 C ATOM 927 CG2 ILE A 56 5.890 -1.162 -2.767 1.00 34.21 C ATOM 928 CD1 ILE A 56 6.412 1.424 -4.309 1.00 13.22 C ATOM 0 H ILE A 56 2.371 0.931 -2.933 1.00 45.50 H new ATOM 0 HA ILE A 56 4.234 -0.291 -4.872 1.00 35.20 H new ATOM 0 HB ILE A 56 4.352 0.024 -1.843 1.00 75.23 H new ATOM 0 HG12 ILE A 56 4.773 2.132 -3.134 1.00 51.35 H new ATOM 0 HG13 ILE A 56 6.155 1.605 -2.195 1.00 51.35 H new ATOM 0 HG21 ILE A 56 6.640 -0.939 -2.008 1.00 34.21 H new ATOM 0 HG22 ILE A 56 5.392 -2.100 -2.521 1.00 34.21 H new ATOM 0 HG23 ILE A 56 6.374 -1.253 -3.739 1.00 34.21 H new ATOM 0 HD11 ILE A 56 6.851 2.418 -4.397 1.00 13.22 H new ATOM 0 HD12 ILE A 56 7.207 0.682 -4.235 1.00 13.22 H new ATOM 0 HD13 ILE A 56 5.803 1.217 -5.189 1.00 13.22 H new ATOM 940 N PHE A 57 3.433 -2.644 -4.468 1.00 22.43 N ATOM 941 CA PHE A 57 2.879 -3.994 -4.399 1.00 12.00 C ATOM 942 C PHE A 57 3.997 -4.960 -3.987 1.00 33.44 C ATOM 943 O PHE A 57 4.904 -5.241 -4.771 1.00 22.25 O ATOM 944 CB PHE A 57 2.287 -4.379 -5.775 1.00 51.42 C ATOM 945 CG PHE A 57 1.223 -3.418 -6.295 1.00 60.22 C ATOM 946 CD1 PHE A 57 -0.113 -3.564 -5.919 1.00 4.30 C ATOM 947 CD2 PHE A 57 1.557 -2.368 -7.157 1.00 20.22 C ATOM 948 CE1 PHE A 57 -1.074 -2.690 -6.382 1.00 74.24 C ATOM 949 CE2 PHE A 57 0.592 -1.497 -7.617 1.00 64.02 C ATOM 950 CZ PHE A 57 -0.724 -1.662 -7.232 1.00 3.50 C ATOM 0 H PHE A 57 4.120 -2.526 -5.213 1.00 22.43 H new ATOM 0 HA PHE A 57 2.078 -4.044 -3.661 1.00 12.00 H new ATOM 0 HB2 PHE A 57 3.097 -4.433 -6.503 1.00 51.42 H new ATOM 0 HB3 PHE A 57 1.854 -5.377 -5.704 1.00 51.42 H new ATOM 0 HD1 PHE A 57 -0.397 -4.370 -5.259 1.00 4.30 H new ATOM 0 HD2 PHE A 57 2.584 -2.238 -7.466 1.00 20.22 H new ATOM 0 HE1 PHE A 57 -2.103 -2.811 -6.078 1.00 74.24 H new ATOM 0 HE2 PHE A 57 0.865 -0.687 -8.277 1.00 64.02 H new ATOM 0 HZ PHE A 57 -1.481 -0.984 -7.598 1.00 3.50 H new ATOM 960 N ILE A 58 3.948 -5.428 -2.741 1.00 40.43 N ATOM 961 CA ILE A 58 4.972 -6.323 -2.180 1.00 73.15 C ATOM 962 C ILE A 58 4.403 -7.742 -2.075 1.00 3.31 C ATOM 963 O ILE A 58 3.350 -7.953 -1.446 1.00 21.42 O ATOM 964 CB ILE A 58 5.455 -5.837 -0.762 1.00 20.42 C ATOM 965 CG1 ILE A 58 5.773 -4.311 -0.790 1.00 24.22 C ATOM 966 CG2 ILE A 58 6.695 -6.647 -0.297 1.00 74.32 C ATOM 967 CD1 ILE A 58 6.124 -3.714 0.555 1.00 75.52 C ATOM 0 H ILE A 58 3.199 -5.200 -2.087 1.00 40.43 H new ATOM 0 HA ILE A 58 5.835 -6.313 -2.846 1.00 73.15 H new ATOM 0 HB ILE A 58 4.651 -6.009 -0.047 1.00 20.42 H new ATOM 0 HG12 ILE A 58 6.602 -4.139 -1.476 1.00 24.22 H new ATOM 0 HG13 ILE A 58 4.910 -3.781 -1.194 1.00 24.22 H new ATOM 0 HG21 ILE A 58 7.012 -6.295 0.685 1.00 74.32 H new ATOM 0 HG22 ILE A 58 6.437 -7.704 -0.238 1.00 74.32 H new ATOM 0 HG23 ILE A 58 7.507 -6.511 -1.011 1.00 74.32 H new ATOM 0 HD11 ILE A 58 6.330 -2.650 0.438 1.00 75.52 H new ATOM 0 HD12 ILE A 58 5.289 -3.849 1.242 1.00 75.52 H new ATOM 0 HD13 ILE A 58 7.007 -4.212 0.955 1.00 75.52 H new ATOM 979 N ARG A 59 5.102 -8.707 -2.696 1.00 42.24 N ATOM 980 CA ARG A 59 4.701 -10.112 -2.665 1.00 71.23 C ATOM 981 C ARG A 59 5.151 -10.769 -1.349 1.00 23.24 C ATOM 982 O ARG A 59 6.354 -10.973 -1.135 1.00 25.34 O ATOM 983 CB ARG A 59 5.267 -10.886 -3.886 1.00 64.44 C ATOM 984 CG ARG A 59 4.759 -12.335 -3.968 1.00 54.12 C ATOM 985 CD ARG A 59 5.289 -13.100 -5.177 1.00 75.41 C ATOM 986 NE ARG A 59 6.735 -13.343 -5.128 1.00 60.44 N ATOM 987 CZ ARG A 59 7.349 -14.434 -5.612 1.00 72.33 C ATOM 988 NH1 ARG A 59 6.658 -15.418 -6.203 1.00 60.13 N ATOM 989 NH2 ARG A 59 8.665 -14.524 -5.516 1.00 10.43 N ATOM 0 H ARG A 59 5.954 -8.531 -3.228 1.00 42.24 H new ATOM 0 HA ARG A 59 3.613 -10.154 -2.721 1.00 71.23 H new ATOM 0 HB2 ARG A 59 4.995 -10.359 -4.801 1.00 64.44 H new ATOM 0 HB3 ARG A 59 6.356 -10.891 -3.833 1.00 64.44 H new ATOM 0 HG2 ARG A 59 5.046 -12.864 -3.059 1.00 54.12 H new ATOM 0 HG3 ARG A 59 3.670 -12.328 -4.002 1.00 54.12 H new ATOM 0 HD2 ARG A 59 4.770 -14.056 -5.248 1.00 75.41 H new ATOM 0 HD3 ARG A 59 5.053 -12.541 -6.083 1.00 75.41 H new ATOM 0 HE ARG A 59 7.318 -12.628 -4.693 1.00 60.44 H new ATOM 0 HH11 ARG A 59 5.644 -15.347 -6.292 1.00 60.13 H new ATOM 0 HH12 ARG A 59 7.146 -16.238 -6.564 1.00 60.13 H new ATOM 0 HH21 ARG A 59 9.197 -13.771 -5.079 1.00 10.43 H new ATOM 0 HH22 ARG A 59 9.148 -15.346 -5.879 1.00 10.43 H new ATOM 1003 N GLY A 60 4.167 -11.062 -0.472 1.00 73.11 N ATOM 1004 CA GLY A 60 4.392 -11.798 0.776 1.00 35.32 C ATOM 1005 C GLY A 60 5.304 -11.064 1.749 1.00 74.41 C ATOM 1006 O GLY A 60 6.407 -11.530 2.048 1.00 20.41 O ATOM 0 H GLY A 60 3.194 -10.791 -0.616 1.00 73.11 H new ATOM 0 HA2 GLY A 60 3.432 -11.985 1.258 1.00 35.32 H new ATOM 0 HA3 GLY A 60 4.827 -12.770 0.544 1.00 35.32 H new ATOM 1010 N ALA A 61 4.853 -9.888 2.208 1.00 4.22 N ATOM 1011 CA ALA A 61 5.598 -9.060 3.169 1.00 13.50 C ATOM 1012 C ALA A 61 5.199 -9.432 4.604 1.00 52.10 C ATOM 1013 O ALA A 61 4.028 -9.307 4.973 1.00 44.31 O ATOM 1014 CB ALA A 61 5.322 -7.572 2.909 1.00 73.24 C ATOM 0 H ALA A 61 3.961 -9.483 1.924 1.00 4.22 H new ATOM 0 HA ALA A 61 6.665 -9.245 3.043 1.00 13.50 H new ATOM 0 HB1 ALA A 61 5.878 -6.968 3.626 1.00 73.24 H new ATOM 0 HB2 ALA A 61 5.636 -7.315 1.897 1.00 73.24 H new ATOM 0 HB3 ALA A 61 4.256 -7.375 3.019 1.00 73.24 H new ATOM 1020 N THR A 62 6.171 -9.919 5.386 1.00 1.42 N ATOM 1021 CA THR A 62 5.989 -10.197 6.826 1.00 43.20 C ATOM 1022 C THR A 62 6.147 -8.884 7.630 1.00 34.43 C ATOM 1023 O THR A 62 6.557 -7.860 7.057 1.00 61.13 O ATOM 1024 CB THR A 62 7.002 -11.289 7.322 1.00 12.02 C ATOM 1025 OG1 THR A 62 6.752 -11.619 8.699 1.00 30.32 O ATOM 1026 CG2 THR A 62 8.471 -10.853 7.159 1.00 73.25 C ATOM 0 H THR A 62 7.107 -10.133 5.043 1.00 1.42 H new ATOM 0 HA THR A 62 4.985 -10.590 6.986 1.00 43.20 H new ATOM 0 HB THR A 62 6.845 -12.166 6.694 1.00 12.02 H new ATOM 0 HG1 THR A 62 7.390 -12.302 8.993 1.00 30.32 H new ATOM 0 HG21 THR A 62 9.128 -11.646 7.518 1.00 73.25 H new ATOM 0 HG22 THR A 62 8.678 -10.658 6.107 1.00 73.25 H new ATOM 0 HG23 THR A 62 8.648 -9.946 7.737 1.00 73.25 H new ATOM 1034 N GLU A 63 5.854 -8.935 8.951 1.00 54.30 N ATOM 1035 CA GLU A 63 5.801 -7.738 9.831 1.00 71.32 C ATOM 1036 C GLU A 63 7.070 -6.879 9.722 1.00 21.34 C ATOM 1037 O GLU A 63 6.987 -5.698 9.416 1.00 60.20 O ATOM 1038 CB GLU A 63 5.605 -8.137 11.317 1.00 73.14 C ATOM 1039 CG GLU A 63 4.326 -8.927 11.625 1.00 44.23 C ATOM 1040 CD GLU A 63 4.210 -9.271 13.116 1.00 61.24 C ATOM 1041 OE1 GLU A 63 4.840 -10.257 13.560 1.00 72.02 O ATOM 1042 OE2 GLU A 63 3.511 -8.551 13.858 1.00 70.02 O ATOM 0 H GLU A 63 5.647 -9.806 9.439 1.00 54.30 H new ATOM 0 HA GLU A 63 4.947 -7.154 9.488 1.00 71.32 H new ATOM 0 HB2 GLU A 63 6.463 -8.731 11.632 1.00 73.14 H new ATOM 0 HB3 GLU A 63 5.606 -7.230 11.922 1.00 73.14 H new ATOM 0 HG2 GLU A 63 3.457 -8.345 11.318 1.00 44.23 H new ATOM 0 HG3 GLU A 63 4.317 -9.846 11.039 1.00 44.23 H new ATOM 1049 N GLU A 64 8.237 -7.529 9.908 1.00 62.50 N ATOM 1050 CA GLU A 64 9.555 -6.858 9.995 1.00 74.03 C ATOM 1051 C GLU A 64 9.905 -6.049 8.722 1.00 31.51 C ATOM 1052 O GLU A 64 10.736 -5.144 8.775 1.00 12.21 O ATOM 1053 CB GLU A 64 10.658 -7.904 10.303 1.00 60.22 C ATOM 1054 CG GLU A 64 10.848 -8.969 9.208 1.00 75.34 C ATOM 1055 CD GLU A 64 11.846 -10.073 9.594 1.00 70.40 C ATOM 1056 OE1 GLU A 64 11.427 -11.066 10.227 1.00 65.13 O ATOM 1057 OE2 GLU A 64 13.049 -9.956 9.266 1.00 14.42 O ATOM 0 H GLU A 64 8.294 -8.543 10.003 1.00 62.50 H new ATOM 0 HA GLU A 64 9.498 -6.136 10.810 1.00 74.03 H new ATOM 0 HB2 GLU A 64 11.604 -7.383 10.454 1.00 60.22 H new ATOM 0 HB3 GLU A 64 10.416 -8.404 11.241 1.00 60.22 H new ATOM 0 HG2 GLU A 64 9.883 -9.424 8.984 1.00 75.34 H new ATOM 0 HG3 GLU A 64 11.191 -8.483 8.295 1.00 75.34 H new ATOM 1064 N VAL A 65 9.275 -6.402 7.583 1.00 31.22 N ATOM 1065 CA VAL A 65 9.396 -5.656 6.317 1.00 10.21 C ATOM 1066 C VAL A 65 8.370 -4.496 6.273 1.00 20.31 C ATOM 1067 O VAL A 65 8.743 -3.334 6.046 1.00 3.24 O ATOM 1068 CB VAL A 65 9.192 -6.626 5.090 1.00 35.31 C ATOM 1069 CG1 VAL A 65 9.256 -5.878 3.735 1.00 53.33 C ATOM 1070 CG2 VAL A 65 10.218 -7.790 5.142 1.00 41.05 C ATOM 0 H VAL A 65 8.665 -7.217 7.517 1.00 31.22 H new ATOM 0 HA VAL A 65 10.397 -5.229 6.257 1.00 10.21 H new ATOM 0 HB VAL A 65 8.189 -7.046 5.166 1.00 35.31 H new ATOM 0 HG11 VAL A 65 9.110 -6.588 2.920 1.00 53.33 H new ATOM 0 HG12 VAL A 65 8.473 -5.120 3.700 1.00 53.33 H new ATOM 0 HG13 VAL A 65 10.230 -5.399 3.629 1.00 53.33 H new ATOM 0 HG21 VAL A 65 10.063 -8.450 4.288 1.00 41.05 H new ATOM 0 HG22 VAL A 65 11.230 -7.385 5.109 1.00 41.05 H new ATOM 0 HG23 VAL A 65 10.083 -8.353 6.065 1.00 41.05 H new ATOM 1080 N VAL A 66 7.081 -4.825 6.540 1.00 33.42 N ATOM 1081 CA VAL A 66 5.958 -3.860 6.438 1.00 42.00 C ATOM 1082 C VAL A 66 6.162 -2.670 7.396 1.00 32.05 C ATOM 1083 O VAL A 66 6.239 -1.528 6.952 1.00 70.14 O ATOM 1084 CB VAL A 66 4.558 -4.532 6.731 1.00 15.41 C ATOM 1085 CG1 VAL A 66 3.394 -3.522 6.545 1.00 1.20 C ATOM 1086 CG2 VAL A 66 4.339 -5.785 5.856 1.00 74.25 C ATOM 0 H VAL A 66 6.793 -5.759 6.830 1.00 33.42 H new ATOM 0 HA VAL A 66 5.954 -3.503 5.408 1.00 42.00 H new ATOM 0 HB VAL A 66 4.565 -4.848 7.774 1.00 15.41 H new ATOM 0 HG11 VAL A 66 2.446 -4.017 6.754 1.00 1.20 H new ATOM 0 HG12 VAL A 66 3.526 -2.685 7.231 1.00 1.20 H new ATOM 0 HG13 VAL A 66 3.392 -3.154 5.519 1.00 1.20 H new ATOM 0 HG21 VAL A 66 3.367 -6.222 6.083 1.00 74.25 H new ATOM 0 HG22 VAL A 66 4.374 -5.504 4.803 1.00 74.25 H new ATOM 0 HG23 VAL A 66 5.122 -6.515 6.063 1.00 74.25 H new ATOM 1096 N ARG A 67 6.298 -2.973 8.703 1.00 64.00 N ATOM 1097 CA ARG A 67 6.432 -1.957 9.773 1.00 23.10 C ATOM 1098 C ARG A 67 7.675 -1.056 9.568 1.00 14.11 C ATOM 1099 O ARG A 67 7.654 0.111 9.933 1.00 3.44 O ATOM 1100 CB ARG A 67 6.475 -2.649 11.174 1.00 35.33 C ATOM 1101 CG ARG A 67 7.754 -3.475 11.458 1.00 24.12 C ATOM 1102 CD ARG A 67 7.687 -4.287 12.764 1.00 14.42 C ATOM 1103 NE ARG A 67 8.891 -5.118 12.957 1.00 14.53 N ATOM 1104 CZ ARG A 67 8.997 -6.156 13.809 1.00 73.31 C ATOM 1105 NH1 ARG A 67 7.972 -6.531 14.573 1.00 14.21 N ATOM 1106 NH2 ARG A 67 10.137 -6.824 13.899 1.00 11.01 N ATOM 0 H ARG A 67 6.318 -3.932 9.050 1.00 64.00 H new ATOM 0 HA ARG A 67 5.556 -1.310 9.724 1.00 23.10 H new ATOM 0 HB2 ARG A 67 6.377 -1.883 11.944 1.00 35.33 H new ATOM 0 HB3 ARG A 67 5.609 -3.305 11.265 1.00 35.33 H new ATOM 0 HG2 ARG A 67 7.929 -4.156 10.625 1.00 24.12 H new ATOM 0 HG3 ARG A 67 8.609 -2.801 11.503 1.00 24.12 H new ATOM 0 HD2 ARG A 67 7.576 -3.607 13.609 1.00 14.42 H new ATOM 0 HD3 ARG A 67 6.804 -4.925 12.750 1.00 14.42 H new ATOM 0 HE ARG A 67 9.712 -4.887 12.398 1.00 14.53 H new ATOM 0 HH11 ARG A 67 7.086 -6.029 14.519 1.00 14.21 H new ATOM 0 HH12 ARG A 67 8.074 -7.320 15.211 1.00 14.21 H new ATOM 0 HH21 ARG A 67 10.934 -6.552 13.323 1.00 11.01 H new ATOM 0 HH22 ARG A 67 10.218 -7.610 14.544 1.00 11.01 H new ATOM 1120 N ASP A 68 8.726 -1.630 8.951 1.00 63.25 N ATOM 1121 CA ASP A 68 10.013 -0.949 8.663 1.00 23.34 C ATOM 1122 C ASP A 68 9.841 0.130 7.571 1.00 74.32 C ATOM 1123 O ASP A 68 10.408 1.229 7.659 1.00 22.41 O ATOM 1124 CB ASP A 68 11.058 -2.026 8.248 1.00 72.04 C ATOM 1125 CG ASP A 68 12.326 -1.485 7.555 1.00 52.15 C ATOM 1126 OD1 ASP A 68 12.570 -1.829 6.374 1.00 63.32 O ATOM 1127 OD2 ASP A 68 13.091 -0.714 8.184 1.00 24.13 O ATOM 0 H ASP A 68 8.709 -2.598 8.631 1.00 63.25 H new ATOM 0 HA ASP A 68 10.365 -0.431 9.555 1.00 23.34 H new ATOM 0 HB2 ASP A 68 11.359 -2.578 9.138 1.00 72.04 H new ATOM 0 HB3 ASP A 68 10.575 -2.738 7.579 1.00 72.04 H new ATOM 1132 N ILE A 69 9.052 -0.209 6.547 1.00 42.14 N ATOM 1133 CA ILE A 69 8.688 0.721 5.462 1.00 1.31 C ATOM 1134 C ILE A 69 7.725 1.811 5.968 1.00 74.13 C ATOM 1135 O ILE A 69 7.927 3.007 5.729 1.00 73.20 O ATOM 1136 CB ILE A 69 8.009 -0.055 4.285 1.00 73.23 C ATOM 1137 CG1 ILE A 69 8.996 -1.085 3.665 1.00 32.11 C ATOM 1138 CG2 ILE A 69 7.462 0.916 3.211 1.00 32.02 C ATOM 1139 CD1 ILE A 69 8.359 -2.022 2.663 1.00 30.23 C ATOM 0 H ILE A 69 8.644 -1.138 6.443 1.00 42.14 H new ATOM 0 HA ILE A 69 9.605 1.194 5.110 1.00 1.31 H new ATOM 0 HB ILE A 69 7.158 -0.603 4.690 1.00 73.23 H new ATOM 0 HG12 ILE A 69 9.808 -0.546 3.177 1.00 32.11 H new ATOM 0 HG13 ILE A 69 9.441 -1.675 4.467 1.00 32.11 H new ATOM 0 HG21 ILE A 69 6.997 0.345 2.407 1.00 32.02 H new ATOM 0 HG22 ILE A 69 6.722 1.578 3.662 1.00 32.02 H new ATOM 0 HG23 ILE A 69 8.281 1.510 2.806 1.00 32.02 H new ATOM 0 HD11 ILE A 69 9.112 -2.709 2.277 1.00 30.23 H new ATOM 0 HD12 ILE A 69 7.566 -2.590 3.149 1.00 30.23 H new ATOM 0 HD13 ILE A 69 7.939 -1.444 1.840 1.00 30.23 H new ATOM 1151 N VAL A 70 6.677 1.363 6.669 1.00 22.50 N ATOM 1152 CA VAL A 70 5.569 2.212 7.115 1.00 73.05 C ATOM 1153 C VAL A 70 6.043 3.263 8.132 1.00 44.11 C ATOM 1154 O VAL A 70 5.624 4.422 8.059 1.00 71.45 O ATOM 1155 CB VAL A 70 4.405 1.327 7.694 1.00 23.03 C ATOM 1156 CG1 VAL A 70 3.303 2.180 8.354 1.00 4.51 C ATOM 1157 CG2 VAL A 70 3.816 0.431 6.571 1.00 1.11 C ATOM 0 H VAL A 70 6.574 0.387 6.946 1.00 22.50 H new ATOM 0 HA VAL A 70 5.184 2.757 6.253 1.00 73.05 H new ATOM 0 HB VAL A 70 4.822 0.692 8.476 1.00 23.03 H new ATOM 0 HG11 VAL A 70 2.520 1.527 8.740 1.00 4.51 H new ATOM 0 HG12 VAL A 70 3.731 2.757 9.174 1.00 4.51 H new ATOM 0 HG13 VAL A 70 2.878 2.860 7.616 1.00 4.51 H new ATOM 0 HG21 VAL A 70 3.010 -0.180 6.978 1.00 1.11 H new ATOM 0 HG22 VAL A 70 3.426 1.060 5.771 1.00 1.11 H new ATOM 0 HG23 VAL A 70 4.598 -0.217 6.175 1.00 1.11 H new ATOM 1167 N GLU A 71 6.961 2.860 9.043 1.00 2.42 N ATOM 1168 CA GLU A 71 7.526 3.783 10.042 1.00 74.13 C ATOM 1169 C GLU A 71 8.320 4.895 9.352 1.00 45.10 C ATOM 1170 O GLU A 71 8.232 6.048 9.754 1.00 63.42 O ATOM 1171 CB GLU A 71 8.374 3.036 11.121 1.00 35.22 C ATOM 1172 CG GLU A 71 9.697 2.362 10.659 1.00 71.40 C ATOM 1173 CD GLU A 71 10.957 3.254 10.749 1.00 12.42 C ATOM 1174 OE1 GLU A 71 11.415 3.531 11.874 1.00 41.44 O ATOM 1175 OE2 GLU A 71 11.508 3.644 9.705 1.00 1.12 O ATOM 0 H GLU A 71 7.321 1.907 9.102 1.00 2.42 H new ATOM 0 HA GLU A 71 6.697 4.246 10.578 1.00 74.13 H new ATOM 0 HB2 GLU A 71 8.618 3.749 11.909 1.00 35.22 H new ATOM 0 HB3 GLU A 71 7.745 2.267 11.570 1.00 35.22 H new ATOM 0 HG2 GLU A 71 9.860 1.468 11.261 1.00 71.40 H new ATOM 0 HG3 GLU A 71 9.577 2.033 9.627 1.00 71.40 H new ATOM 1182 N TYR A 72 9.049 4.531 8.277 1.00 62.03 N ATOM 1183 CA TYR A 72 9.823 5.482 7.470 1.00 41.23 C ATOM 1184 C TYR A 72 8.892 6.526 6.832 1.00 70.13 C ATOM 1185 O TYR A 72 9.118 7.725 6.972 1.00 60.52 O ATOM 1186 CB TYR A 72 10.642 4.730 6.383 1.00 1.41 C ATOM 1187 CG TYR A 72 11.449 5.659 5.465 1.00 63.01 C ATOM 1188 CD1 TYR A 72 12.600 6.304 5.925 1.00 62.31 C ATOM 1189 CD2 TYR A 72 11.044 5.918 4.149 1.00 74.14 C ATOM 1190 CE1 TYR A 72 13.306 7.170 5.117 1.00 33.13 C ATOM 1191 CE2 TYR A 72 11.756 6.778 3.337 1.00 4.11 C ATOM 1192 CZ TYR A 72 12.885 7.401 3.828 1.00 75.22 C ATOM 1193 OH TYR A 72 13.590 8.284 3.039 1.00 73.11 O ATOM 0 H TYR A 72 9.114 3.568 7.948 1.00 62.03 H new ATOM 0 HA TYR A 72 10.523 6.005 8.122 1.00 41.23 H new ATOM 0 HB2 TYR A 72 11.324 4.034 6.871 1.00 1.41 H new ATOM 0 HB3 TYR A 72 9.961 4.135 5.775 1.00 1.41 H new ATOM 0 HD1 TYR A 72 12.943 6.121 6.933 1.00 62.31 H new ATOM 0 HD2 TYR A 72 10.158 5.436 3.763 1.00 74.14 H new ATOM 0 HE1 TYR A 72 14.188 7.666 5.495 1.00 33.13 H new ATOM 0 HE2 TYR A 72 11.431 6.962 2.324 1.00 4.11 H new ATOM 0 HH TYR A 72 14.533 8.280 3.306 1.00 73.11 H new ATOM 1203 N ALA A 73 7.826 6.039 6.175 1.00 30.21 N ATOM 1204 CA ALA A 73 6.855 6.882 5.457 1.00 11.23 C ATOM 1205 C ALA A 73 6.057 7.798 6.417 1.00 23.12 C ATOM 1206 O ALA A 73 5.680 8.915 6.048 1.00 32.31 O ATOM 1207 CB ALA A 73 5.928 5.995 4.617 1.00 22.15 C ATOM 0 H ALA A 73 7.612 5.043 6.127 1.00 30.21 H new ATOM 0 HA ALA A 73 7.403 7.548 4.791 1.00 11.23 H new ATOM 0 HB1 ALA A 73 5.210 6.620 4.086 1.00 22.15 H new ATOM 0 HB2 ALA A 73 6.520 5.430 3.897 1.00 22.15 H new ATOM 0 HB3 ALA A 73 5.395 5.304 5.270 1.00 22.15 H new ATOM 1213 N GLN A 74 5.817 7.322 7.655 1.00 71.23 N ATOM 1214 CA GLN A 74 5.176 8.136 8.713 1.00 54.13 C ATOM 1215 C GLN A 74 6.164 9.194 9.258 1.00 3.44 C ATOM 1216 O GLN A 74 5.765 10.314 9.585 1.00 53.31 O ATOM 1217 CB GLN A 74 4.645 7.241 9.865 1.00 32.41 C ATOM 1218 CG GLN A 74 3.461 6.335 9.483 1.00 53.44 C ATOM 1219 CD GLN A 74 2.960 5.486 10.652 1.00 1.31 C ATOM 1220 OE1 GLN A 74 3.436 4.372 10.881 1.00 44.02 O ATOM 1221 NE2 GLN A 74 1.998 6.005 11.406 1.00 31.15 N ATOM 0 H GLN A 74 6.057 6.376 7.950 1.00 71.23 H new ATOM 0 HA GLN A 74 4.324 8.652 8.270 1.00 54.13 H new ATOM 0 HB2 GLN A 74 5.461 6.616 10.227 1.00 32.41 H new ATOM 0 HB3 GLN A 74 4.342 7.881 10.694 1.00 32.41 H new ATOM 0 HG2 GLN A 74 2.643 6.952 9.112 1.00 53.44 H new ATOM 0 HG3 GLN A 74 3.761 5.679 8.666 1.00 53.44 H new ATOM 0 HE21 GLN A 74 1.624 6.929 11.191 1.00 31.15 H new ATOM 0 HE22 GLN A 74 1.633 5.479 12.200 1.00 31.15 H new ATOM 1230 N LYS A 75 7.463 8.827 9.332 1.00 45.50 N ATOM 1231 CA LYS A 75 8.545 9.737 9.786 1.00 14.13 C ATOM 1232 C LYS A 75 8.842 10.820 8.729 1.00 34.34 C ATOM 1233 O LYS A 75 9.329 11.900 9.073 1.00 32.12 O ATOM 1234 CB LYS A 75 9.835 8.934 10.146 1.00 3.30 C ATOM 1235 CG LYS A 75 9.725 8.116 11.459 1.00 54.34 C ATOM 1236 CD LYS A 75 10.963 7.218 11.728 1.00 25.51 C ATOM 1237 CE LYS A 75 12.270 8.013 11.886 1.00 54.24 C ATOM 1238 NZ LYS A 75 13.430 7.126 12.187 1.00 33.04 N ATOM 0 H LYS A 75 7.793 7.895 9.080 1.00 45.50 H new ATOM 0 HA LYS A 75 8.201 10.241 10.689 1.00 14.13 H new ATOM 0 HB2 LYS A 75 10.068 8.255 9.326 1.00 3.30 H new ATOM 0 HB3 LYS A 75 10.670 9.629 10.232 1.00 3.30 H new ATOM 0 HG2 LYS A 75 9.593 8.801 12.296 1.00 54.34 H new ATOM 0 HG3 LYS A 75 8.833 7.490 11.416 1.00 54.34 H new ATOM 0 HD2 LYS A 75 10.790 6.634 12.632 1.00 25.51 H new ATOM 0 HD3 LYS A 75 11.074 6.509 10.907 1.00 25.51 H new ATOM 0 HE2 LYS A 75 12.468 8.571 10.971 1.00 54.24 H new ATOM 0 HE3 LYS A 75 12.155 8.744 12.686 1.00 54.24 H new ATOM 0 HZ1 LYS A 75 14.291 7.701 12.286 1.00 33.04 H new ATOM 0 HZ2 LYS A 75 13.253 6.612 13.074 1.00 33.04 H new ATOM 0 HZ3 LYS A 75 13.556 6.445 11.412 1.00 33.04 H new ATOM 1252 N GLU A 76 8.538 10.522 7.447 1.00 42.22 N ATOM 1253 CA GLU A 76 8.589 11.517 6.349 1.00 75.11 C ATOM 1254 C GLU A 76 7.459 12.558 6.530 1.00 60.24 C ATOM 1255 O GLU A 76 7.566 13.695 6.067 1.00 12.04 O ATOM 1256 CB GLU A 76 8.423 10.820 4.964 1.00 73.41 C ATOM 1257 CG GLU A 76 9.509 9.791 4.590 1.00 30.25 C ATOM 1258 CD GLU A 76 10.906 10.403 4.372 1.00 61.43 C ATOM 1259 OE1 GLU A 76 11.214 10.828 3.231 1.00 34.31 O ATOM 1260 OE2 GLU A 76 11.704 10.462 5.336 1.00 10.41 O ATOM 0 H GLU A 76 8.252 9.591 7.143 1.00 42.22 H new ATOM 0 HA GLU A 76 9.559 12.013 6.383 1.00 75.11 H new ATOM 0 HB2 GLU A 76 7.455 10.320 4.945 1.00 73.41 H new ATOM 0 HB3 GLU A 76 8.399 11.590 4.193 1.00 73.41 H new ATOM 0 HG2 GLU A 76 9.571 9.041 5.379 1.00 30.25 H new ATOM 0 HG3 GLU A 76 9.205 9.272 3.681 1.00 30.25 H new ATOM 1267 N GLY A 77 6.389 12.140 7.231 1.00 60.45 N ATOM 1268 CA GLY A 77 5.189 12.952 7.424 1.00 42.03 C ATOM 1269 C GLY A 77 4.219 12.793 6.263 1.00 70.15 C ATOM 1270 O GLY A 77 3.661 13.774 5.767 1.00 41.54 O ATOM 0 H GLY A 77 6.339 11.225 7.678 1.00 60.45 H new ATOM 0 HA2 GLY A 77 4.698 12.663 8.353 1.00 42.03 H new ATOM 0 HA3 GLY A 77 5.470 14.000 7.525 1.00 42.03 H new ATOM 1274 N LEU A 78 4.042 11.534 5.814 1.00 25.12 N ATOM 1275 CA LEU A 78 3.212 11.200 4.640 1.00 72.14 C ATOM 1276 C LEU A 78 2.002 10.359 5.054 1.00 44.33 C ATOM 1277 O LEU A 78 2.039 9.662 6.078 1.00 32.31 O ATOM 1278 CB LEU A 78 4.062 10.442 3.582 1.00 53.11 C ATOM 1279 CG LEU A 78 5.308 11.212 3.044 1.00 32.45 C ATOM 1280 CD1 LEU A 78 6.004 10.432 1.913 1.00 52.55 C ATOM 1281 CD2 LEU A 78 4.941 12.647 2.607 1.00 1.14 C ATOM 0 H LEU A 78 4.471 10.721 6.255 1.00 25.12 H new ATOM 0 HA LEU A 78 2.847 12.128 4.199 1.00 72.14 H new ATOM 0 HB2 LEU A 78 4.398 9.501 4.018 1.00 53.11 H new ATOM 0 HB3 LEU A 78 3.420 10.191 2.738 1.00 53.11 H new ATOM 0 HG LEU A 78 6.021 11.298 3.864 1.00 32.45 H new ATOM 0 HD11 LEU A 78 6.868 10.996 1.560 1.00 52.55 H new ATOM 0 HD12 LEU A 78 6.332 9.462 2.288 1.00 52.55 H new ATOM 0 HD13 LEU A 78 5.306 10.285 1.089 1.00 52.55 H new ATOM 0 HD21 LEU A 78 5.832 13.154 2.238 1.00 1.14 H new ATOM 0 HD22 LEU A 78 4.193 12.606 1.815 1.00 1.14 H new ATOM 0 HD23 LEU A 78 4.538 13.195 3.459 1.00 1.14 H new ATOM 1293 N ARG A 79 0.927 10.450 4.256 1.00 10.10 N ATOM 1294 CA ARG A 79 -0.303 9.688 4.474 1.00 32.20 C ATOM 1295 C ARG A 79 -0.088 8.233 4.013 1.00 51.14 C ATOM 1296 O ARG A 79 0.024 7.969 2.815 1.00 71.33 O ATOM 1297 CB ARG A 79 -1.479 10.353 3.707 1.00 15.24 C ATOM 1298 CG ARG A 79 -2.853 9.685 3.935 1.00 32.43 C ATOM 1299 CD ARG A 79 -3.987 10.322 3.104 1.00 32.21 C ATOM 1300 NE ARG A 79 -4.242 11.712 3.510 1.00 54.41 N ATOM 1301 CZ ARG A 79 -5.033 12.088 4.532 1.00 60.33 C ATOM 1302 NH1 ARG A 79 -5.676 11.187 5.278 1.00 43.23 N ATOM 1303 NH2 ARG A 79 -5.159 13.374 4.821 1.00 12.52 N ATOM 0 H ARG A 79 0.891 11.059 3.438 1.00 10.10 H new ATOM 0 HA ARG A 79 -0.554 9.683 5.535 1.00 32.20 H new ATOM 0 HB2 ARG A 79 -1.544 11.400 4.005 1.00 15.24 H new ATOM 0 HB3 ARG A 79 -1.255 10.338 2.640 1.00 15.24 H new ATOM 0 HG2 ARG A 79 -2.780 8.626 3.686 1.00 32.43 H new ATOM 0 HG3 ARG A 79 -3.108 9.747 4.993 1.00 32.43 H new ATOM 0 HD2 ARG A 79 -3.724 10.294 2.047 1.00 32.21 H new ATOM 0 HD3 ARG A 79 -4.898 9.735 3.221 1.00 32.21 H new ATOM 0 HE ARG A 79 -3.783 12.449 2.975 1.00 54.41 H new ATOM 0 HH11 ARG A 79 -5.573 10.192 5.078 1.00 43.23 H new ATOM 0 HH12 ARG A 79 -6.271 11.493 6.048 1.00 43.23 H new ATOM 0 HH21 ARG A 79 -4.658 14.072 4.271 1.00 12.52 H new ATOM 0 HH22 ARG A 79 -5.757 13.667 5.594 1.00 12.52 H new ATOM 1317 N VAL A 80 0.017 7.303 4.979 1.00 4.02 N ATOM 1318 CA VAL A 80 0.287 5.876 4.704 1.00 55.32 C ATOM 1319 C VAL A 80 -1.022 5.068 4.772 1.00 14.35 C ATOM 1320 O VAL A 80 -1.733 5.119 5.776 1.00 71.15 O ATOM 1321 CB VAL A 80 1.346 5.274 5.710 1.00 63.15 C ATOM 1322 CG1 VAL A 80 1.784 3.849 5.275 1.00 61.21 C ATOM 1323 CG2 VAL A 80 2.562 6.216 5.852 1.00 11.23 C ATOM 0 H VAL A 80 -0.082 7.517 5.971 1.00 4.02 H new ATOM 0 HA VAL A 80 0.707 5.807 3.700 1.00 55.32 H new ATOM 0 HB VAL A 80 0.873 5.187 6.688 1.00 63.15 H new ATOM 0 HG11 VAL A 80 2.513 3.460 5.986 1.00 61.21 H new ATOM 0 HG12 VAL A 80 0.914 3.192 5.251 1.00 61.21 H new ATOM 0 HG13 VAL A 80 2.233 3.893 4.283 1.00 61.21 H new ATOM 0 HG21 VAL A 80 3.279 5.782 6.549 1.00 11.23 H new ATOM 0 HG22 VAL A 80 3.036 6.347 4.879 1.00 11.23 H new ATOM 0 HG23 VAL A 80 2.230 7.184 6.228 1.00 11.23 H new ATOM 1333 N LEU A 81 -1.345 4.367 3.675 1.00 63.21 N ATOM 1334 CA LEU A 81 -2.525 3.481 3.573 1.00 22.42 C ATOM 1335 C LEU A 81 -2.025 2.073 3.248 1.00 31.00 C ATOM 1336 O LEU A 81 -1.412 1.882 2.205 1.00 62.24 O ATOM 1337 CB LEU A 81 -3.491 3.942 2.432 1.00 52.12 C ATOM 1338 CG LEU A 81 -4.302 5.262 2.614 1.00 74.03 C ATOM 1339 CD1 LEU A 81 -5.131 5.250 3.906 1.00 20.21 C ATOM 1340 CD2 LEU A 81 -3.411 6.505 2.523 1.00 2.21 C ATOM 0 H LEU A 81 -0.790 4.397 2.820 1.00 63.21 H new ATOM 0 HA LEU A 81 -3.072 3.510 4.515 1.00 22.42 H new ATOM 0 HB2 LEU A 81 -2.900 4.042 1.521 1.00 52.12 H new ATOM 0 HB3 LEU A 81 -4.206 3.137 2.261 1.00 52.12 H new ATOM 0 HG LEU A 81 -5.004 5.315 1.782 1.00 74.03 H new ATOM 0 HD11 LEU A 81 -5.680 6.187 3.994 1.00 20.21 H new ATOM 0 HD12 LEU A 81 -5.835 4.418 3.879 1.00 20.21 H new ATOM 0 HD13 LEU A 81 -4.467 5.136 4.763 1.00 20.21 H new ATOM 0 HD21 LEU A 81 -4.020 7.399 2.656 1.00 2.21 H new ATOM 0 HD22 LEU A 81 -2.650 6.465 3.302 1.00 2.21 H new ATOM 0 HD23 LEU A 81 -2.929 6.536 1.546 1.00 2.21 H new ATOM 1352 N VAL A 82 -2.276 1.085 4.114 1.00 35.40 N ATOM 1353 CA VAL A 82 -1.807 -0.299 3.870 1.00 33.14 C ATOM 1354 C VAL A 82 -3.002 -1.258 3.722 1.00 13.34 C ATOM 1355 O VAL A 82 -3.842 -1.369 4.618 1.00 72.53 O ATOM 1356 CB VAL A 82 -0.814 -0.801 4.993 1.00 33.31 C ATOM 1357 CG1 VAL A 82 -0.291 -2.237 4.715 1.00 2.33 C ATOM 1358 CG2 VAL A 82 0.350 0.202 5.165 1.00 40.12 C ATOM 0 H VAL A 82 -2.795 1.207 4.984 1.00 35.40 H new ATOM 0 HA VAL A 82 -1.249 -0.291 2.934 1.00 33.14 H new ATOM 0 HB VAL A 82 -1.369 -0.851 5.930 1.00 33.31 H new ATOM 0 HG11 VAL A 82 0.387 -2.538 5.513 1.00 2.33 H new ATOM 0 HG12 VAL A 82 -1.132 -2.929 4.673 1.00 2.33 H new ATOM 0 HG13 VAL A 82 0.239 -2.253 3.763 1.00 2.33 H new ATOM 0 HG21 VAL A 82 1.027 -0.155 5.941 1.00 40.12 H new ATOM 0 HG22 VAL A 82 0.893 0.294 4.224 1.00 40.12 H new ATOM 0 HG23 VAL A 82 -0.048 1.176 5.451 1.00 40.12 H new ATOM 1368 N ILE A 83 -3.083 -1.912 2.554 1.00 1.23 N ATOM 1369 CA ILE A 83 -4.015 -3.019 2.305 1.00 34.31 C ATOM 1370 C ILE A 83 -3.249 -4.331 2.467 1.00 51.52 C ATOM 1371 O ILE A 83 -2.091 -4.430 2.059 1.00 44.13 O ATOM 1372 CB ILE A 83 -4.649 -2.964 0.862 1.00 2.34 C ATOM 1373 CG1 ILE A 83 -5.461 -1.662 0.685 1.00 41.31 C ATOM 1374 CG2 ILE A 83 -5.538 -4.201 0.576 1.00 74.04 C ATOM 1375 CD1 ILE A 83 -6.204 -1.553 -0.627 1.00 51.32 C ATOM 0 H ILE A 83 -2.498 -1.685 1.750 1.00 1.23 H new ATOM 0 HA ILE A 83 -4.835 -2.941 3.019 1.00 34.31 H new ATOM 0 HB ILE A 83 -3.832 -2.976 0.140 1.00 2.34 H new ATOM 0 HG12 ILE A 83 -6.179 -1.584 1.501 1.00 41.31 H new ATOM 0 HG13 ILE A 83 -4.784 -0.813 0.775 1.00 41.31 H new ATOM 0 HG21 ILE A 83 -5.956 -4.125 -0.428 1.00 74.04 H new ATOM 0 HG22 ILE A 83 -4.936 -5.107 0.651 1.00 74.04 H new ATOM 0 HG23 ILE A 83 -6.348 -4.243 1.304 1.00 74.04 H new ATOM 0 HD11 ILE A 83 -6.745 -0.607 -0.661 1.00 51.32 H new ATOM 0 HD12 ILE A 83 -5.493 -1.595 -1.452 1.00 51.32 H new ATOM 0 HD13 ILE A 83 -6.911 -2.378 -0.715 1.00 51.32 H new ATOM 1387 N MET A 84 -3.890 -5.314 3.084 1.00 42.33 N ATOM 1388 CA MET A 84 -3.396 -6.688 3.158 1.00 70.44 C ATOM 1389 C MET A 84 -4.558 -7.599 2.733 1.00 53.42 C ATOM 1390 O MET A 84 -5.581 -7.660 3.420 1.00 71.42 O ATOM 1391 CB MET A 84 -2.906 -6.981 4.611 1.00 12.04 C ATOM 1392 CG MET A 84 -1.617 -6.241 5.028 1.00 52.43 C ATOM 1393 SD MET A 84 -1.445 -6.047 6.819 1.00 72.20 S ATOM 1394 CE MET A 84 -2.611 -4.723 7.173 1.00 15.32 C ATOM 0 H MET A 84 -4.784 -5.180 3.556 1.00 42.33 H new ATOM 0 HA MET A 84 -2.545 -6.862 2.500 1.00 70.44 H new ATOM 0 HB2 MET A 84 -3.701 -6.714 5.307 1.00 12.04 H new ATOM 0 HB3 MET A 84 -2.740 -8.053 4.713 1.00 12.04 H new ATOM 0 HG2 MET A 84 -0.754 -6.786 4.645 1.00 52.43 H new ATOM 0 HG3 MET A 84 -1.605 -5.256 4.561 1.00 52.43 H new ATOM 0 HE1 MET A 84 -2.168 -4.029 7.887 1.00 15.32 H new ATOM 0 HE2 MET A 84 -2.850 -4.192 6.251 1.00 15.32 H new ATOM 0 HE3 MET A 84 -3.523 -5.145 7.595 1.00 15.32 H new ATOM 1404 N VAL A 85 -4.403 -8.284 1.584 1.00 61.31 N ATOM 1405 CA VAL A 85 -5.438 -9.172 0.998 1.00 33.23 C ATOM 1406 C VAL A 85 -4.749 -10.449 0.496 1.00 33.21 C ATOM 1407 O VAL A 85 -3.945 -10.391 -0.435 1.00 44.11 O ATOM 1408 CB VAL A 85 -6.234 -8.484 -0.188 1.00 41.44 C ATOM 1409 CG1 VAL A 85 -7.076 -9.518 -0.983 1.00 52.22 C ATOM 1410 CG2 VAL A 85 -7.138 -7.342 0.338 1.00 64.00 C ATOM 0 H VAL A 85 -3.549 -8.239 1.027 1.00 61.31 H new ATOM 0 HA VAL A 85 -6.171 -9.400 1.772 1.00 33.23 H new ATOM 0 HB VAL A 85 -5.497 -8.056 -0.868 1.00 41.44 H new ATOM 0 HG11 VAL A 85 -7.608 -9.012 -1.788 1.00 52.22 H new ATOM 0 HG12 VAL A 85 -6.417 -10.277 -1.405 1.00 52.22 H new ATOM 0 HG13 VAL A 85 -7.795 -9.993 -0.315 1.00 52.22 H new ATOM 0 HG21 VAL A 85 -7.672 -6.887 -0.496 1.00 64.00 H new ATOM 0 HG22 VAL A 85 -7.856 -7.746 1.052 1.00 64.00 H new ATOM 0 HG23 VAL A 85 -6.523 -6.588 0.829 1.00 64.00 H new ATOM 1420 N ASP A 86 -5.090 -11.587 1.114 1.00 1.32 N ATOM 1421 CA ASP A 86 -4.453 -12.891 0.863 1.00 11.22 C ATOM 1422 C ASP A 86 -5.176 -13.947 1.718 1.00 25.10 C ATOM 1423 O ASP A 86 -5.738 -13.609 2.772 1.00 41.55 O ATOM 1424 CB ASP A 86 -2.931 -12.822 1.208 1.00 74.23 C ATOM 1425 CG ASP A 86 -2.153 -14.070 0.791 1.00 13.23 C ATOM 1426 OD1 ASP A 86 -1.933 -14.948 1.643 1.00 32.45 O ATOM 1427 OD2 ASP A 86 -1.760 -14.180 -0.400 1.00 5.05 O ATOM 0 H ASP A 86 -5.829 -11.631 1.815 1.00 1.32 H new ATOM 0 HA ASP A 86 -4.533 -13.162 -0.190 1.00 11.22 H new ATOM 0 HB2 ASP A 86 -2.495 -11.951 0.718 1.00 74.23 H new ATOM 0 HB3 ASP A 86 -2.817 -12.674 2.282 1.00 74.23 H new ATOM 1432 N GLN A 87 -5.171 -15.222 1.276 1.00 21.51 N ATOM 1433 CA GLN A 87 -5.911 -16.306 1.969 1.00 30.42 C ATOM 1434 C GLN A 87 -5.285 -16.663 3.340 1.00 40.30 C ATOM 1435 O GLN A 87 -5.906 -17.365 4.142 1.00 32.24 O ATOM 1436 CB GLN A 87 -6.069 -17.579 1.076 1.00 71.10 C ATOM 1437 CG GLN A 87 -4.767 -18.312 0.662 1.00 43.41 C ATOM 1438 CD GLN A 87 -4.089 -17.722 -0.576 1.00 51.42 C ATOM 1439 OE1 GLN A 87 -4.374 -18.121 -1.706 1.00 4.35 O ATOM 1440 NE2 GLN A 87 -3.190 -16.783 -0.383 1.00 51.32 N ATOM 0 H GLN A 87 -4.665 -15.529 0.445 1.00 21.51 H new ATOM 0 HA GLN A 87 -6.910 -15.914 2.160 1.00 30.42 H new ATOM 0 HB2 GLN A 87 -6.704 -18.289 1.607 1.00 71.10 H new ATOM 0 HB3 GLN A 87 -6.600 -17.293 0.168 1.00 71.10 H new ATOM 0 HG2 GLN A 87 -4.066 -18.284 1.496 1.00 43.41 H new ATOM 0 HG3 GLN A 87 -4.997 -19.361 0.473 1.00 43.41 H new ATOM 0 HE21 GLN A 87 -2.973 -16.471 0.564 1.00 51.32 H new ATOM 0 HE22 GLN A 87 -2.709 -16.366 -1.180 1.00 51.32 H new ATOM 1449 N ASP A 88 -4.068 -16.156 3.611 1.00 13.15 N ATOM 1450 CA ASP A 88 -3.376 -16.340 4.907 1.00 10.34 C ATOM 1451 C ASP A 88 -3.762 -15.204 5.888 1.00 43.31 C ATOM 1452 O ASP A 88 -2.900 -14.542 6.477 1.00 2.15 O ATOM 1453 CB ASP A 88 -1.833 -16.428 4.671 1.00 22.54 C ATOM 1454 CG ASP A 88 -1.395 -17.760 4.025 1.00 34.45 C ATOM 1455 OD1 ASP A 88 -1.917 -18.117 2.944 1.00 21.35 O ATOM 1456 OD2 ASP A 88 -0.515 -18.462 4.584 1.00 63.30 O ATOM 0 H ASP A 88 -3.533 -15.606 2.939 1.00 13.15 H new ATOM 0 HA ASP A 88 -3.692 -17.276 5.367 1.00 10.34 H new ATOM 0 HB2 ASP A 88 -1.521 -15.601 4.032 1.00 22.54 H new ATOM 0 HB3 ASP A 88 -1.318 -16.306 5.624 1.00 22.54 H new ATOM 1461 N GLN A 89 -5.093 -15.044 6.081 1.00 2.23 N ATOM 1462 CA GLN A 89 -5.713 -14.008 6.959 1.00 32.20 C ATOM 1463 C GLN A 89 -5.201 -14.064 8.419 1.00 61.51 C ATOM 1464 O GLN A 89 -5.276 -13.066 9.139 1.00 41.01 O ATOM 1465 CB GLN A 89 -7.262 -14.158 6.937 1.00 3.32 C ATOM 1466 CG GLN A 89 -7.941 -13.789 5.601 1.00 72.53 C ATOM 1467 CD GLN A 89 -8.060 -12.278 5.361 1.00 45.12 C ATOM 1468 OE1 GLN A 89 -7.189 -11.648 4.769 1.00 13.13 O ATOM 1469 NE2 GLN A 89 -9.159 -11.689 5.812 1.00 42.44 N ATOM 0 H GLN A 89 -5.784 -15.640 5.625 1.00 2.23 H new ATOM 0 HA GLN A 89 -5.420 -13.037 6.559 1.00 32.20 H new ATOM 0 HB2 GLN A 89 -7.514 -15.190 7.181 1.00 3.32 H new ATOM 0 HB3 GLN A 89 -7.682 -13.532 7.724 1.00 3.32 H new ATOM 0 HG2 GLN A 89 -7.375 -14.234 4.782 1.00 72.53 H new ATOM 0 HG3 GLN A 89 -8.937 -14.230 5.577 1.00 72.53 H new ATOM 0 HE21 GLN A 89 -9.867 -12.237 6.301 1.00 42.44 H new ATOM 0 HE22 GLN A 89 -9.296 -10.688 5.670 1.00 42.44 H new ATOM 1478 N GLU A 90 -4.703 -15.242 8.832 1.00 51.24 N ATOM 1479 CA GLU A 90 -4.089 -15.466 10.160 1.00 43.41 C ATOM 1480 C GLU A 90 -2.872 -14.539 10.363 1.00 1.24 C ATOM 1481 O GLU A 90 -2.768 -13.845 11.378 1.00 34.53 O ATOM 1482 CB GLU A 90 -3.650 -16.948 10.278 1.00 12.42 C ATOM 1483 CG GLU A 90 -4.774 -17.973 10.040 1.00 5.25 C ATOM 1484 CD GLU A 90 -4.235 -19.410 9.944 1.00 11.55 C ATOM 1485 OE1 GLU A 90 -3.997 -19.899 8.820 1.00 72.43 O ATOM 1486 OE2 GLU A 90 -4.006 -20.042 10.995 1.00 11.50 O ATOM 0 H GLU A 90 -4.714 -16.078 8.248 1.00 51.24 H new ATOM 0 HA GLU A 90 -4.824 -15.238 10.932 1.00 43.41 H new ATOM 0 HB2 GLU A 90 -2.850 -17.134 9.562 1.00 12.42 H new ATOM 0 HB3 GLU A 90 -3.233 -17.111 11.272 1.00 12.42 H new ATOM 0 HG2 GLU A 90 -5.498 -17.911 10.852 1.00 5.25 H new ATOM 0 HG3 GLU A 90 -5.304 -17.723 9.121 1.00 5.25 H new ATOM 1493 N GLU A 91 -1.977 -14.528 9.359 1.00 2.34 N ATOM 1494 CA GLU A 91 -0.755 -13.705 9.373 1.00 52.11 C ATOM 1495 C GLU A 91 -1.099 -12.235 9.079 1.00 23.12 C ATOM 1496 O GLU A 91 -0.483 -11.325 9.627 1.00 1.54 O ATOM 1497 CB GLU A 91 0.266 -14.242 8.332 1.00 21.34 C ATOM 1498 CG GLU A 91 1.672 -13.598 8.397 1.00 43.25 C ATOM 1499 CD GLU A 91 2.333 -13.730 9.785 1.00 32.22 C ATOM 1500 OE1 GLU A 91 2.525 -12.702 10.475 1.00 3.30 O ATOM 1501 OE2 GLU A 91 2.649 -14.875 10.192 1.00 22.24 O ATOM 0 H GLU A 91 -2.081 -15.090 8.514 1.00 2.34 H new ATOM 0 HA GLU A 91 -0.304 -13.764 10.364 1.00 52.11 H new ATOM 0 HB2 GLU A 91 0.370 -15.318 8.470 1.00 21.34 H new ATOM 0 HB3 GLU A 91 -0.142 -14.087 7.333 1.00 21.34 H new ATOM 0 HG2 GLU A 91 2.314 -14.064 7.649 1.00 43.25 H new ATOM 0 HG3 GLU A 91 1.594 -12.542 8.137 1.00 43.25 H new ATOM 1508 N LEU A 92 -2.109 -12.028 8.213 1.00 33.14 N ATOM 1509 CA LEU A 92 -2.586 -10.680 7.842 1.00 72.54 C ATOM 1510 C LEU A 92 -3.182 -9.949 9.062 1.00 23.32 C ATOM 1511 O LEU A 92 -3.070 -8.736 9.150 1.00 31.23 O ATOM 1512 CB LEU A 92 -3.612 -10.754 6.668 1.00 62.53 C ATOM 1513 CG LEU A 92 -3.027 -10.758 5.212 1.00 21.03 C ATOM 1514 CD1 LEU A 92 -1.980 -11.865 4.970 1.00 61.32 C ATOM 1515 CD2 LEU A 92 -4.170 -10.845 4.190 1.00 13.11 C ATOM 0 H LEU A 92 -2.615 -12.785 7.753 1.00 33.14 H new ATOM 0 HA LEU A 92 -1.729 -10.102 7.497 1.00 72.54 H new ATOM 0 HB2 LEU A 92 -4.209 -11.657 6.796 1.00 62.53 H new ATOM 0 HB3 LEU A 92 -4.292 -9.907 6.758 1.00 62.53 H new ATOM 0 HG LEU A 92 -2.492 -9.817 5.083 1.00 21.03 H new ATOM 0 HD11 LEU A 92 -1.620 -11.807 3.943 1.00 61.32 H new ATOM 0 HD12 LEU A 92 -1.144 -11.731 5.656 1.00 61.32 H new ATOM 0 HD13 LEU A 92 -2.436 -12.840 5.140 1.00 61.32 H new ATOM 0 HD21 LEU A 92 -3.757 -10.847 3.181 1.00 13.11 H new ATOM 0 HD22 LEU A 92 -4.735 -11.763 4.353 1.00 13.11 H new ATOM 0 HD23 LEU A 92 -4.831 -9.986 4.309 1.00 13.11 H new ATOM 1527 N GLU A 93 -3.794 -10.707 9.999 1.00 74.04 N ATOM 1528 CA GLU A 93 -4.313 -10.157 11.277 1.00 0.43 C ATOM 1529 C GLU A 93 -3.168 -9.757 12.217 1.00 14.22 C ATOM 1530 O GLU A 93 -3.271 -8.762 12.940 1.00 73.21 O ATOM 1531 CB GLU A 93 -5.259 -11.173 11.990 1.00 24.43 C ATOM 1532 CG GLU A 93 -6.720 -11.133 11.505 1.00 25.32 C ATOM 1533 CD GLU A 93 -7.406 -9.786 11.794 1.00 34.25 C ATOM 1534 OE1 GLU A 93 -7.536 -8.955 10.877 1.00 63.55 O ATOM 1535 OE2 GLU A 93 -7.797 -9.548 12.957 1.00 11.10 O ATOM 0 H GLU A 93 -3.943 -11.711 9.895 1.00 74.04 H new ATOM 0 HA GLU A 93 -4.888 -9.264 11.032 1.00 0.43 H new ATOM 0 HB2 GLU A 93 -4.868 -12.180 11.843 1.00 24.43 H new ATOM 0 HB3 GLU A 93 -5.240 -10.977 13.062 1.00 24.43 H new ATOM 0 HG2 GLU A 93 -6.748 -11.327 10.433 1.00 25.32 H new ATOM 0 HG3 GLU A 93 -7.281 -11.933 11.989 1.00 25.32 H new ATOM 1542 N ARG A 94 -2.093 -10.556 12.208 1.00 52.11 N ATOM 1543 CA ARG A 94 -0.881 -10.286 12.998 1.00 73.04 C ATOM 1544 C ARG A 94 -0.262 -8.924 12.578 1.00 23.42 C ATOM 1545 O ARG A 94 0.020 -8.072 13.424 1.00 13.15 O ATOM 1546 CB ARG A 94 0.121 -11.458 12.810 1.00 54.03 C ATOM 1547 CG ARG A 94 1.453 -11.315 13.569 1.00 2.04 C ATOM 1548 CD ARG A 94 1.296 -11.307 15.096 1.00 63.01 C ATOM 1549 NE ARG A 94 2.590 -11.109 15.779 1.00 70.10 N ATOM 1550 CZ ARG A 94 2.838 -11.407 17.067 1.00 51.32 C ATOM 1551 NH1 ARG A 94 1.884 -11.935 17.840 1.00 65.25 N ATOM 1552 NH2 ARG A 94 4.037 -11.180 17.580 1.00 51.10 N ATOM 0 H ARG A 94 -2.038 -11.410 11.652 1.00 52.11 H new ATOM 0 HA ARG A 94 -1.132 -10.216 14.056 1.00 73.04 H new ATOM 0 HB2 ARG A 94 -0.362 -12.382 13.129 1.00 54.03 H new ATOM 0 HB3 ARG A 94 0.337 -11.562 11.747 1.00 54.03 H new ATOM 0 HG2 ARG A 94 2.113 -12.135 13.285 1.00 2.04 H new ATOM 0 HG3 ARG A 94 1.941 -10.391 13.258 1.00 2.04 H new ATOM 0 HD2 ARG A 94 0.607 -10.514 15.386 1.00 63.01 H new ATOM 0 HD3 ARG A 94 0.854 -12.249 15.421 1.00 63.01 H new ATOM 0 HE ARG A 94 3.355 -10.716 15.231 1.00 70.10 H new ATOM 0 HH11 ARG A 94 0.957 -12.116 17.454 1.00 65.25 H new ATOM 0 HH12 ARG A 94 2.083 -12.157 18.815 1.00 65.25 H new ATOM 0 HH21 ARG A 94 4.773 -10.779 16.999 1.00 51.10 H new ATOM 0 HH22 ARG A 94 4.225 -11.406 18.557 1.00 51.10 H new ATOM 1566 N ILE A 95 -0.127 -8.723 11.254 1.00 51.01 N ATOM 1567 CA ILE A 95 0.417 -7.478 10.671 1.00 73.42 C ATOM 1568 C ILE A 95 -0.592 -6.306 10.843 1.00 11.50 C ATOM 1569 O ILE A 95 -0.201 -5.182 11.164 1.00 62.21 O ATOM 1570 CB ILE A 95 0.782 -7.684 9.146 1.00 23.44 C ATOM 1571 CG1 ILE A 95 1.686 -8.951 8.961 1.00 50.35 C ATOM 1572 CG2 ILE A 95 1.479 -6.431 8.565 1.00 14.11 C ATOM 1573 CD1 ILE A 95 1.993 -9.310 7.518 1.00 4.03 C ATOM 0 H ILE A 95 -0.392 -9.418 10.556 1.00 51.01 H new ATOM 0 HA ILE A 95 1.332 -7.223 11.206 1.00 73.42 H new ATOM 0 HB ILE A 95 -0.147 -7.838 8.597 1.00 23.44 H new ATOM 0 HG12 ILE A 95 2.626 -8.789 9.488 1.00 50.35 H new ATOM 0 HG13 ILE A 95 1.197 -9.801 9.436 1.00 50.35 H new ATOM 0 HG21 ILE A 95 1.718 -6.602 7.515 1.00 14.11 H new ATOM 0 HG22 ILE A 95 0.814 -5.572 8.651 1.00 14.11 H new ATOM 0 HG23 ILE A 95 2.397 -6.235 9.119 1.00 14.11 H new ATOM 0 HD11 ILE A 95 2.623 -10.199 7.490 1.00 4.03 H new ATOM 0 HD12 ILE A 95 1.062 -9.509 6.987 1.00 4.03 H new ATOM 0 HD13 ILE A 95 2.514 -8.481 7.040 1.00 4.03 H new ATOM 1585 N TYR A 96 -1.898 -6.612 10.676 1.00 21.34 N ATOM 1586 CA TYR A 96 -3.012 -5.630 10.803 1.00 21.13 C ATOM 1587 C TYR A 96 -3.023 -4.957 12.188 1.00 74.05 C ATOM 1588 O TYR A 96 -3.286 -3.755 12.293 1.00 73.53 O ATOM 1589 CB TYR A 96 -4.368 -6.349 10.544 1.00 53.32 C ATOM 1590 CG TYR A 96 -5.631 -5.475 10.618 1.00 30.24 C ATOM 1591 CD1 TYR A 96 -5.958 -4.585 9.593 1.00 5.11 C ATOM 1592 CD2 TYR A 96 -6.513 -5.566 11.698 1.00 62.25 C ATOM 1593 CE1 TYR A 96 -7.105 -3.817 9.649 1.00 23.11 C ATOM 1594 CE2 TYR A 96 -7.656 -4.793 11.760 1.00 41.22 C ATOM 1595 CZ TYR A 96 -7.951 -3.924 10.730 1.00 53.30 C ATOM 1596 OH TYR A 96 -9.096 -3.151 10.789 1.00 73.32 O ATOM 0 H TYR A 96 -2.217 -7.553 10.447 1.00 21.34 H new ATOM 0 HA TYR A 96 -2.862 -4.846 10.060 1.00 21.13 H new ATOM 0 HB2 TYR A 96 -4.328 -6.808 9.556 1.00 53.32 H new ATOM 0 HB3 TYR A 96 -4.469 -7.158 11.268 1.00 53.32 H new ATOM 0 HD1 TYR A 96 -5.302 -4.495 8.740 1.00 5.11 H new ATOM 0 HD2 TYR A 96 -6.296 -6.255 12.501 1.00 62.25 H new ATOM 0 HE1 TYR A 96 -7.338 -3.134 8.846 1.00 23.11 H new ATOM 0 HE2 TYR A 96 -8.316 -4.869 12.611 1.00 41.22 H new ATOM 0 HH TYR A 96 -9.582 -3.349 11.617 1.00 73.32 H new ATOM 1606 N GLU A 97 -2.724 -5.758 13.231 1.00 72.13 N ATOM 1607 CA GLU A 97 -2.662 -5.284 14.625 1.00 15.11 C ATOM 1608 C GLU A 97 -1.566 -4.217 14.797 1.00 10.21 C ATOM 1609 O GLU A 97 -1.796 -3.184 15.435 1.00 24.43 O ATOM 1610 CB GLU A 97 -2.394 -6.466 15.591 1.00 2.32 C ATOM 1611 CG GLU A 97 -2.361 -6.061 17.079 1.00 31.44 C ATOM 1612 CD GLU A 97 -1.909 -7.193 18.006 1.00 31.42 C ATOM 1613 OE1 GLU A 97 -0.689 -7.317 18.251 1.00 25.30 O ATOM 1614 OE2 GLU A 97 -2.763 -7.959 18.497 1.00 34.24 O ATOM 0 H GLU A 97 -2.519 -6.752 13.128 1.00 72.13 H new ATOM 0 HA GLU A 97 -3.626 -4.837 14.866 1.00 15.11 H new ATOM 0 HB2 GLU A 97 -3.166 -7.222 15.447 1.00 2.32 H new ATOM 0 HB3 GLU A 97 -1.442 -6.928 15.329 1.00 2.32 H new ATOM 0 HG2 GLU A 97 -1.690 -5.211 17.202 1.00 31.44 H new ATOM 0 HG3 GLU A 97 -3.355 -5.729 17.380 1.00 31.44 H new ATOM 1621 N GLN A 98 -0.389 -4.482 14.187 1.00 51.24 N ATOM 1622 CA GLN A 98 0.780 -3.587 14.260 1.00 72.40 C ATOM 1623 C GLN A 98 0.452 -2.225 13.630 1.00 44.33 C ATOM 1624 O GLN A 98 0.652 -1.174 14.237 1.00 60.32 O ATOM 1625 CB GLN A 98 2.002 -4.224 13.531 1.00 40.13 C ATOM 1626 CG GLN A 98 3.269 -3.335 13.514 1.00 22.31 C ATOM 1627 CD GLN A 98 3.836 -3.051 14.908 1.00 24.31 C ATOM 1628 OE1 GLN A 98 3.773 -3.890 15.807 1.00 22.51 O ATOM 1629 NE2 GLN A 98 4.379 -1.862 15.114 1.00 53.41 N ATOM 0 H GLN A 98 -0.226 -5.322 13.632 1.00 51.24 H new ATOM 0 HA GLN A 98 1.032 -3.441 15.310 1.00 72.40 H new ATOM 0 HB2 GLN A 98 2.244 -5.171 14.013 1.00 40.13 H new ATOM 0 HB3 GLN A 98 1.719 -4.452 12.503 1.00 40.13 H new ATOM 0 HG2 GLN A 98 4.036 -3.821 12.911 1.00 22.31 H new ATOM 0 HG3 GLN A 98 3.033 -2.389 13.027 1.00 22.31 H new ATOM 0 HE21 GLN A 98 4.421 -1.182 14.355 1.00 53.41 H new ATOM 0 HE22 GLN A 98 4.756 -1.626 16.032 1.00 53.41 H new ATOM 1638 N LEU A 99 -0.090 -2.287 12.413 1.00 64.15 N ATOM 1639 CA LEU A 99 -0.431 -1.109 11.604 1.00 75.24 C ATOM 1640 C LEU A 99 -1.512 -0.239 12.288 1.00 2.44 C ATOM 1641 O LEU A 99 -1.410 0.996 12.317 1.00 32.25 O ATOM 1642 CB LEU A 99 -0.891 -1.586 10.201 1.00 2.12 C ATOM 1643 CG LEU A 99 0.235 -1.852 9.139 1.00 52.13 C ATOM 1644 CD1 LEU A 99 0.896 -0.540 8.699 1.00 24.33 C ATOM 1645 CD2 LEU A 99 1.305 -2.864 9.619 1.00 34.11 C ATOM 0 H LEU A 99 -0.309 -3.170 11.952 1.00 64.15 H new ATOM 0 HA LEU A 99 0.451 -0.477 11.502 1.00 75.24 H new ATOM 0 HB2 LEU A 99 -1.464 -2.505 10.326 1.00 2.12 H new ATOM 0 HB3 LEU A 99 -1.572 -0.838 9.794 1.00 2.12 H new ATOM 0 HG LEU A 99 -0.261 -2.307 8.282 1.00 52.13 H new ATOM 0 HD11 LEU A 99 1.672 -0.752 7.964 1.00 24.33 H new ATOM 0 HD12 LEU A 99 0.146 0.115 8.256 1.00 24.33 H new ATOM 0 HD13 LEU A 99 1.341 -0.049 9.564 1.00 24.33 H new ATOM 0 HD21 LEU A 99 2.052 -3.001 8.837 1.00 34.11 H new ATOM 0 HD22 LEU A 99 1.787 -2.484 10.519 1.00 34.11 H new ATOM 0 HD23 LEU A 99 0.829 -3.820 9.838 1.00 34.11 H new ATOM 1657 N LYS A 100 -2.519 -0.910 12.864 1.00 23.13 N ATOM 1658 CA LYS A 100 -3.648 -0.259 13.558 1.00 44.02 C ATOM 1659 C LYS A 100 -3.140 0.435 14.849 1.00 10.12 C ATOM 1660 O LYS A 100 -3.619 1.515 15.210 1.00 35.52 O ATOM 1661 CB LYS A 100 -4.754 -1.332 13.839 1.00 42.12 C ATOM 1662 CG LYS A 100 -6.177 -0.786 14.145 1.00 30.45 C ATOM 1663 CD LYS A 100 -6.380 -0.328 15.605 1.00 4.31 C ATOM 1664 CE LYS A 100 -7.757 0.314 15.836 1.00 50.53 C ATOM 1665 NZ LYS A 100 -7.913 0.808 17.228 1.00 33.31 N ATOM 0 H LYS A 100 -2.577 -1.928 12.863 1.00 23.13 H new ATOM 0 HA LYS A 100 -4.091 0.519 12.937 1.00 44.02 H new ATOM 0 HB2 LYS A 100 -4.819 -1.992 12.974 1.00 42.12 H new ATOM 0 HB3 LYS A 100 -4.433 -1.943 14.683 1.00 42.12 H new ATOM 0 HG2 LYS A 100 -6.382 0.054 13.481 1.00 30.45 H new ATOM 0 HG3 LYS A 100 -6.908 -1.561 13.914 1.00 30.45 H new ATOM 0 HD2 LYS A 100 -6.266 -1.184 16.270 1.00 4.31 H new ATOM 0 HD3 LYS A 100 -5.601 0.387 15.870 1.00 4.31 H new ATOM 0 HE2 LYS A 100 -7.893 1.142 15.140 1.00 50.53 H new ATOM 0 HE3 LYS A 100 -8.538 -0.415 15.620 1.00 50.53 H new ATOM 0 HZ1 LYS A 100 -8.855 1.234 17.342 1.00 33.31 H new ATOM 0 HZ2 LYS A 100 -7.809 0.014 17.892 1.00 33.31 H new ATOM 0 HZ3 LYS A 100 -7.184 1.523 17.426 1.00 33.31 H new ATOM 1679 N LYS A 101 -2.144 -0.199 15.510 1.00 14.45 N ATOM 1680 CA LYS A 101 -1.457 0.348 16.708 1.00 51.30 C ATOM 1681 C LYS A 101 -0.757 1.692 16.397 1.00 43.33 C ATOM 1682 O LYS A 101 -0.801 2.632 17.204 1.00 3.10 O ATOM 1683 CB LYS A 101 -0.408 -0.678 17.230 1.00 70.13 C ATOM 1684 CG LYS A 101 0.413 -0.203 18.455 1.00 53.22 C ATOM 1685 CD LYS A 101 1.615 -1.116 18.781 1.00 55.22 C ATOM 1686 CE LYS A 101 1.225 -2.542 19.204 1.00 61.41 C ATOM 1687 NZ LYS A 101 0.457 -2.572 20.475 1.00 41.22 N ATOM 0 H LYS A 101 -1.790 -1.113 15.226 1.00 14.45 H new ATOM 0 HA LYS A 101 -2.212 0.528 17.473 1.00 51.30 H new ATOM 0 HB2 LYS A 101 -0.924 -1.602 17.492 1.00 70.13 H new ATOM 0 HB3 LYS A 101 0.281 -0.916 16.419 1.00 70.13 H new ATOM 0 HG2 LYS A 101 0.775 0.809 18.270 1.00 53.22 H new ATOM 0 HG3 LYS A 101 -0.242 -0.153 19.325 1.00 53.22 H new ATOM 0 HD2 LYS A 101 2.262 -1.173 17.906 1.00 55.22 H new ATOM 0 HD3 LYS A 101 2.199 -0.659 19.580 1.00 55.22 H new ATOM 0 HE2 LYS A 101 0.631 -3.001 18.414 1.00 61.41 H new ATOM 0 HE3 LYS A 101 2.127 -3.143 19.315 1.00 61.41 H new ATOM 0 HZ1 LYS A 101 0.264 -3.559 20.741 1.00 41.22 H new ATOM 0 HZ2 LYS A 101 1.011 -2.113 21.226 1.00 41.22 H new ATOM 0 HZ3 LYS A 101 -0.442 -2.065 20.349 1.00 41.22 H new ATOM 1701 N ASP A 102 -0.119 1.763 15.215 1.00 10.51 N ATOM 1702 CA ASP A 102 0.628 2.960 14.762 1.00 22.42 C ATOM 1703 C ASP A 102 -0.306 4.041 14.186 1.00 71.20 C ATOM 1704 O ASP A 102 0.158 5.127 13.818 1.00 13.23 O ATOM 1705 CB ASP A 102 1.712 2.562 13.725 1.00 55.20 C ATOM 1706 CG ASP A 102 2.912 1.856 14.376 1.00 53.35 C ATOM 1707 OD1 ASP A 102 2.965 0.613 14.399 1.00 12.15 O ATOM 1708 OD2 ASP A 102 3.815 2.558 14.884 1.00 54.41 O ATOM 0 H ASP A 102 -0.104 0.995 14.544 1.00 10.51 H new ATOM 0 HA ASP A 102 1.117 3.390 15.636 1.00 22.42 H new ATOM 0 HB2 ASP A 102 1.270 1.906 12.975 1.00 55.20 H new ATOM 0 HB3 ASP A 102 2.058 3.455 13.204 1.00 55.20 H new ATOM 1713 N GLY A 103 -1.616 3.733 14.100 1.00 32.34 N ATOM 1714 CA GLY A 103 -2.625 4.712 13.673 1.00 44.21 C ATOM 1715 C GLY A 103 -2.804 4.775 12.169 1.00 54.25 C ATOM 1716 O GLY A 103 -3.446 5.697 11.659 1.00 73.43 O ATOM 0 H GLY A 103 -1.996 2.813 14.322 1.00 32.34 H new ATOM 0 HA2 GLY A 103 -3.580 4.463 14.135 1.00 44.21 H new ATOM 0 HA3 GLY A 103 -2.341 5.699 14.039 1.00 44.21 H new ATOM 1720 N VAL A 104 -2.232 3.796 11.461 1.00 41.51 N ATOM 1721 CA VAL A 104 -2.296 3.712 9.997 1.00 35.43 C ATOM 1722 C VAL A 104 -3.685 3.205 9.572 1.00 22.24 C ATOM 1723 O VAL A 104 -4.197 2.240 10.164 1.00 24.11 O ATOM 1724 CB VAL A 104 -1.174 2.755 9.447 1.00 31.35 C ATOM 1725 CG1 VAL A 104 -1.114 2.775 7.903 1.00 62.44 C ATOM 1726 CG2 VAL A 104 0.191 3.110 10.080 1.00 40.10 C ATOM 0 H VAL A 104 -1.708 3.034 11.890 1.00 41.51 H new ATOM 0 HA VAL A 104 -2.131 4.705 9.578 1.00 35.43 H new ATOM 0 HB VAL A 104 -1.425 1.734 9.735 1.00 31.35 H new ATOM 0 HG11 VAL A 104 -0.328 2.102 7.561 1.00 62.44 H new ATOM 0 HG12 VAL A 104 -2.072 2.450 7.497 1.00 62.44 H new ATOM 0 HG13 VAL A 104 -0.900 3.787 7.560 1.00 62.44 H new ATOM 0 HG21 VAL A 104 0.958 2.440 9.691 1.00 40.10 H new ATOM 0 HG22 VAL A 104 0.450 4.140 9.834 1.00 40.10 H new ATOM 0 HG23 VAL A 104 0.129 3.001 11.163 1.00 40.10 H new ATOM 1736 N ASP A 105 -4.288 3.857 8.560 1.00 73.35 N ATOM 1737 CA ASP A 105 -5.620 3.481 8.074 1.00 12.35 C ATOM 1738 C ASP A 105 -5.474 2.231 7.192 1.00 15.30 C ATOM 1739 O ASP A 105 -4.985 2.307 6.055 1.00 2.34 O ATOM 1740 CB ASP A 105 -6.262 4.644 7.274 1.00 1.33 C ATOM 1741 CG ASP A 105 -7.754 4.424 6.949 1.00 23.23 C ATOM 1742 OD1 ASP A 105 -8.171 4.652 5.798 1.00 61.44 O ATOM 1743 OD2 ASP A 105 -8.516 3.977 7.844 1.00 52.31 O ATOM 0 H ASP A 105 -3.870 4.646 8.066 1.00 73.35 H new ATOM 0 HA ASP A 105 -6.275 3.266 8.918 1.00 12.35 H new ATOM 0 HB2 ASP A 105 -6.156 5.567 7.844 1.00 1.33 H new ATOM 0 HB3 ASP A 105 -5.712 4.779 6.342 1.00 1.33 H new ATOM 1748 N VAL A 106 -5.891 1.075 7.736 1.00 2.42 N ATOM 1749 CA VAL A 106 -5.618 -0.249 7.138 1.00 13.32 C ATOM 1750 C VAL A 106 -6.877 -1.117 7.041 1.00 75.05 C ATOM 1751 O VAL A 106 -7.807 -0.975 7.835 1.00 4.13 O ATOM 1752 CB VAL A 106 -4.493 -1.005 7.942 1.00 25.53 C ATOM 1753 CG1 VAL A 106 -3.130 -0.330 7.714 1.00 21.31 C ATOM 1754 CG2 VAL A 106 -4.815 -1.081 9.460 1.00 15.12 C ATOM 0 H VAL A 106 -6.427 1.029 8.603 1.00 2.42 H new ATOM 0 HA VAL A 106 -5.269 -0.069 6.121 1.00 13.32 H new ATOM 0 HB VAL A 106 -4.452 -2.028 7.567 1.00 25.53 H new ATOM 0 HG11 VAL A 106 -2.362 -0.862 8.275 1.00 21.31 H new ATOM 0 HG12 VAL A 106 -2.885 -0.354 6.652 1.00 21.31 H new ATOM 0 HG13 VAL A 106 -3.175 0.705 8.053 1.00 21.31 H new ATOM 0 HG21 VAL A 106 -4.014 -1.610 9.976 1.00 15.12 H new ATOM 0 HG22 VAL A 106 -4.903 -0.073 9.864 1.00 15.12 H new ATOM 0 HG23 VAL A 106 -5.755 -1.614 9.606 1.00 15.12 H new ATOM 1764 N ARG A 107 -6.879 -2.018 6.047 1.00 12.43 N ATOM 1765 CA ARG A 107 -8.005 -2.922 5.760 1.00 23.24 C ATOM 1766 C ARG A 107 -7.476 -4.310 5.344 1.00 30.05 C ATOM 1767 O ARG A 107 -6.512 -4.419 4.569 1.00 2.51 O ATOM 1768 CB ARG A 107 -8.955 -2.339 4.657 1.00 24.33 C ATOM 1769 CG ARG A 107 -8.271 -1.842 3.352 1.00 10.01 C ATOM 1770 CD ARG A 107 -7.757 -0.397 3.441 1.00 20.12 C ATOM 1771 NE ARG A 107 -8.862 0.569 3.582 1.00 21.02 N ATOM 1772 CZ ARG A 107 -8.962 1.508 4.537 1.00 53.30 C ATOM 1773 NH1 ARG A 107 -8.020 1.641 5.456 1.00 53.13 N ATOM 1774 NH2 ARG A 107 -10.007 2.326 4.549 1.00 54.22 N ATOM 0 H ARG A 107 -6.090 -2.141 5.412 1.00 12.43 H new ATOM 0 HA ARG A 107 -8.593 -3.023 6.672 1.00 23.24 H new ATOM 0 HB2 ARG A 107 -9.682 -3.106 4.391 1.00 24.33 H new ATOM 0 HB3 ARG A 107 -9.512 -1.508 5.089 1.00 24.33 H new ATOM 0 HG2 ARG A 107 -7.437 -2.502 3.115 1.00 10.01 H new ATOM 0 HG3 ARG A 107 -8.981 -1.917 2.528 1.00 10.01 H new ATOM 0 HD2 ARG A 107 -7.081 -0.303 4.291 1.00 20.12 H new ATOM 0 HD3 ARG A 107 -7.179 -0.161 2.547 1.00 20.12 H new ATOM 0 HE ARG A 107 -9.615 0.520 2.896 1.00 21.02 H new ATOM 0 HH11 ARG A 107 -7.206 1.026 5.445 1.00 53.13 H new ATOM 0 HH12 ARG A 107 -8.108 2.358 6.176 1.00 53.13 H new ATOM 0 HH21 ARG A 107 -10.730 2.240 3.835 1.00 54.22 H new ATOM 0 HH22 ARG A 107 -10.087 3.041 5.272 1.00 54.22 H new ATOM 1788 N VAL A 108 -8.112 -5.357 5.891 1.00 64.11 N ATOM 1789 CA VAL A 108 -7.828 -6.772 5.585 1.00 53.12 C ATOM 1790 C VAL A 108 -9.136 -7.477 5.183 1.00 45.12 C ATOM 1791 O VAL A 108 -10.179 -7.278 5.828 1.00 12.31 O ATOM 1792 CB VAL A 108 -7.171 -7.534 6.806 1.00 32.02 C ATOM 1793 CG1 VAL A 108 -5.697 -7.133 6.997 1.00 32.31 C ATOM 1794 CG2 VAL A 108 -7.980 -7.308 8.102 1.00 32.21 C ATOM 0 H VAL A 108 -8.858 -5.243 6.577 1.00 64.11 H new ATOM 0 HA VAL A 108 -7.111 -6.794 4.764 1.00 53.12 H new ATOM 0 HB VAL A 108 -7.193 -8.599 6.576 1.00 32.02 H new ATOM 0 HG11 VAL A 108 -5.279 -7.676 7.844 1.00 32.31 H new ATOM 0 HG12 VAL A 108 -5.134 -7.377 6.096 1.00 32.31 H new ATOM 0 HG13 VAL A 108 -5.633 -6.061 7.186 1.00 32.31 H new ATOM 0 HG21 VAL A 108 -7.506 -7.843 8.925 1.00 32.21 H new ATOM 0 HG22 VAL A 108 -8.010 -6.243 8.331 1.00 32.21 H new ATOM 0 HG23 VAL A 108 -8.996 -7.678 7.966 1.00 32.21 H new ATOM 1804 N THR A 109 -9.072 -8.281 4.109 1.00 51.25 N ATOM 1805 CA THR A 109 -10.218 -9.050 3.600 1.00 11.13 C ATOM 1806 C THR A 109 -9.733 -10.033 2.532 1.00 14.45 C ATOM 1807 O THR A 109 -9.029 -9.636 1.604 1.00 72.33 O ATOM 1808 CB THR A 109 -11.364 -8.124 3.016 1.00 60.14 C ATOM 1809 OG1 THR A 109 -12.447 -8.920 2.506 1.00 52.11 O ATOM 1810 CG2 THR A 109 -10.870 -7.164 1.910 1.00 2.43 C ATOM 0 H THR A 109 -8.219 -8.416 3.567 1.00 51.25 H new ATOM 0 HA THR A 109 -10.653 -9.592 4.440 1.00 11.13 H new ATOM 0 HB THR A 109 -11.707 -7.511 3.849 1.00 60.14 H new ATOM 0 HG1 THR A 109 -12.769 -8.534 1.665 1.00 52.11 H new ATOM 0 HG21 THR A 109 -11.704 -6.559 1.554 1.00 2.43 H new ATOM 0 HG22 THR A 109 -10.095 -6.512 2.313 1.00 2.43 H new ATOM 0 HG23 THR A 109 -10.462 -7.743 1.081 1.00 2.43 H new ATOM 1818 N ASP A 110 -10.073 -11.321 2.675 1.00 42.25 N ATOM 1819 CA ASP A 110 -9.827 -12.304 1.613 1.00 31.31 C ATOM 1820 C ASP A 110 -11.021 -12.265 0.642 1.00 54.14 C ATOM 1821 O ASP A 110 -12.011 -12.979 0.805 1.00 32.13 O ATOM 1822 CB ASP A 110 -9.572 -13.733 2.193 1.00 54.32 C ATOM 1823 CG ASP A 110 -10.741 -14.304 3.027 1.00 72.35 C ATOM 1824 OD1 ASP A 110 -10.997 -13.794 4.138 1.00 75.41 O ATOM 1825 OD2 ASP A 110 -11.421 -15.251 2.565 1.00 75.45 O ATOM 0 H ASP A 110 -10.516 -11.704 3.510 1.00 42.25 H new ATOM 0 HA ASP A 110 -8.916 -12.048 1.071 1.00 31.31 H new ATOM 0 HB2 ASP A 110 -9.364 -14.414 1.368 1.00 54.32 H new ATOM 0 HB3 ASP A 110 -8.678 -13.704 2.816 1.00 54.32 H new ATOM 1830 N ASN A 111 -10.929 -11.363 -0.336 1.00 4.42 N ATOM 1831 CA ASN A 111 -11.911 -11.210 -1.425 1.00 4.35 C ATOM 1832 C ASN A 111 -11.227 -10.468 -2.567 1.00 14.20 C ATOM 1833 O ASN A 111 -10.619 -9.418 -2.349 1.00 2.12 O ATOM 1834 CB ASN A 111 -13.210 -10.441 -1.024 1.00 40.33 C ATOM 1835 CG ASN A 111 -14.201 -11.237 -0.171 1.00 24.33 C ATOM 1836 OD1 ASN A 111 -14.935 -12.085 -0.682 1.00 42.13 O ATOM 1837 ND2 ASN A 111 -14.253 -10.956 1.121 1.00 73.13 N ATOM 0 H ASN A 111 -10.155 -10.701 -0.400 1.00 4.42 H new ATOM 0 HA ASN A 111 -12.235 -12.212 -1.707 1.00 4.35 H new ATOM 0 HB2 ASN A 111 -12.927 -9.541 -0.478 1.00 40.33 H new ATOM 0 HB3 ASN A 111 -13.716 -10.116 -1.933 1.00 40.33 H new ATOM 0 HD21 ASN A 111 -14.914 -11.447 1.723 1.00 73.13 H new ATOM 0 HD22 ASN A 111 -13.632 -10.249 1.514 1.00 73.13 H new ATOM 1844 N GLU A 112 -11.364 -11.015 -3.773 1.00 2.05 N ATOM 1845 CA GLU A 112 -10.725 -10.502 -4.990 1.00 41.41 C ATOM 1846 C GLU A 112 -11.312 -9.130 -5.374 1.00 32.01 C ATOM 1847 O GLU A 112 -10.591 -8.135 -5.473 1.00 41.42 O ATOM 1848 CB GLU A 112 -10.942 -11.527 -6.129 1.00 50.35 C ATOM 1849 CG GLU A 112 -10.311 -11.154 -7.486 1.00 31.20 C ATOM 1850 CD GLU A 112 -10.775 -12.086 -8.610 1.00 33.23 C ATOM 1851 OE1 GLU A 112 -11.523 -11.638 -9.503 1.00 33.42 O ATOM 1852 OE2 GLU A 112 -10.442 -13.291 -8.575 1.00 10.11 O ATOM 0 H GLU A 112 -11.934 -11.845 -3.938 1.00 2.05 H new ATOM 0 HA GLU A 112 -9.658 -10.366 -4.816 1.00 41.41 H new ATOM 0 HB2 GLU A 112 -10.537 -12.488 -5.812 1.00 50.35 H new ATOM 0 HB3 GLU A 112 -12.014 -11.664 -6.272 1.00 50.35 H new ATOM 0 HG2 GLU A 112 -10.572 -10.126 -7.737 1.00 31.20 H new ATOM 0 HG3 GLU A 112 -9.225 -11.197 -7.405 1.00 31.20 H new ATOM 1859 N ASP A 113 -12.644 -9.104 -5.544 1.00 62.21 N ATOM 1860 CA ASP A 113 -13.396 -7.911 -5.974 1.00 12.41 C ATOM 1861 C ASP A 113 -13.375 -6.826 -4.888 1.00 32.22 C ATOM 1862 O ASP A 113 -13.134 -5.659 -5.189 1.00 34.11 O ATOM 1863 CB ASP A 113 -14.857 -8.304 -6.321 1.00 72.11 C ATOM 1864 CG ASP A 113 -15.674 -7.127 -6.891 1.00 22.53 C ATOM 1865 OD1 ASP A 113 -15.423 -6.732 -8.047 1.00 45.33 O ATOM 1866 OD2 ASP A 113 -16.577 -6.603 -6.200 1.00 53.44 O ATOM 0 H ASP A 113 -13.237 -9.919 -5.385 1.00 62.21 H new ATOM 0 HA ASP A 113 -12.917 -7.503 -6.864 1.00 12.41 H new ATOM 0 HB2 ASP A 113 -14.847 -9.118 -7.046 1.00 72.11 H new ATOM 0 HB3 ASP A 113 -15.349 -8.682 -5.425 1.00 72.11 H new ATOM 1871 N GLU A 114 -13.603 -7.240 -3.622 1.00 75.02 N ATOM 1872 CA GLU A 114 -13.605 -6.321 -2.459 1.00 13.43 C ATOM 1873 C GLU A 114 -12.219 -5.667 -2.253 1.00 44.44 C ATOM 1874 O GLU A 114 -12.138 -4.522 -1.811 1.00 3.23 O ATOM 1875 CB GLU A 114 -14.055 -7.067 -1.178 1.00 15.11 C ATOM 1876 CG GLU A 114 -14.125 -6.221 0.120 1.00 62.51 C ATOM 1877 CD GLU A 114 -15.239 -5.153 0.135 1.00 0.21 C ATOM 1878 OE1 GLU A 114 -16.277 -5.361 0.806 1.00 32.14 O ATOM 1879 OE2 GLU A 114 -15.066 -4.090 -0.494 1.00 35.51 O ATOM 0 H GLU A 114 -13.790 -8.212 -3.377 1.00 75.02 H new ATOM 0 HA GLU A 114 -14.319 -5.523 -2.665 1.00 13.43 H new ATOM 0 HB2 GLU A 114 -15.040 -7.496 -1.360 1.00 15.11 H new ATOM 0 HB3 GLU A 114 -13.371 -7.899 -1.008 1.00 15.11 H new ATOM 0 HG2 GLU A 114 -14.272 -6.891 0.967 1.00 62.51 H new ATOM 0 HG3 GLU A 114 -13.165 -5.727 0.268 1.00 62.51 H new ATOM 1886 N ALA A 115 -11.139 -6.404 -2.581 1.00 13.43 N ATOM 1887 CA ALA A 115 -9.761 -5.865 -2.575 1.00 13.55 C ATOM 1888 C ALA A 115 -9.635 -4.666 -3.524 1.00 10.04 C ATOM 1889 O ALA A 115 -9.052 -3.638 -3.174 1.00 41.35 O ATOM 1890 CB ALA A 115 -8.763 -6.947 -2.994 1.00 41.10 C ATOM 0 H ALA A 115 -11.195 -7.385 -2.856 1.00 13.43 H new ATOM 0 HA ALA A 115 -9.538 -5.537 -1.560 1.00 13.55 H new ATOM 0 HB1 ALA A 115 -7.754 -6.535 -2.985 1.00 41.10 H new ATOM 0 HB2 ALA A 115 -8.820 -7.784 -2.298 1.00 41.10 H new ATOM 0 HB3 ALA A 115 -9.004 -7.294 -3.999 1.00 41.10 H new ATOM 1896 N LYS A 116 -10.214 -4.837 -4.723 1.00 13.34 N ATOM 1897 CA LYS A 116 -10.216 -3.824 -5.791 1.00 0.13 C ATOM 1898 C LYS A 116 -11.071 -2.603 -5.391 1.00 63.10 C ATOM 1899 O LYS A 116 -10.778 -1.473 -5.790 1.00 34.42 O ATOM 1900 CB LYS A 116 -10.729 -4.471 -7.107 1.00 63.31 C ATOM 1901 CG LYS A 116 -9.906 -5.707 -7.564 1.00 65.11 C ATOM 1902 CD LYS A 116 -10.496 -6.408 -8.815 1.00 71.43 C ATOM 1903 CE LYS A 116 -10.433 -5.532 -10.073 1.00 73.01 C ATOM 1904 NZ LYS A 116 -11.099 -6.167 -11.244 1.00 22.41 N ATOM 0 H LYS A 116 -10.701 -5.695 -4.982 1.00 13.34 H new ATOM 0 HA LYS A 116 -9.200 -3.463 -5.949 1.00 0.13 H new ATOM 0 HB2 LYS A 116 -11.769 -4.769 -6.972 1.00 63.31 H new ATOM 0 HB3 LYS A 116 -10.712 -3.722 -7.899 1.00 63.31 H new ATOM 0 HG2 LYS A 116 -8.884 -5.395 -7.779 1.00 65.11 H new ATOM 0 HG3 LYS A 116 -9.855 -6.424 -6.745 1.00 65.11 H new ATOM 0 HD2 LYS A 116 -9.953 -7.335 -8.996 1.00 71.43 H new ATOM 0 HD3 LYS A 116 -11.533 -6.679 -8.618 1.00 71.43 H new ATOM 0 HE2 LYS A 116 -10.906 -4.572 -9.867 1.00 73.01 H new ATOM 0 HE3 LYS A 116 -9.391 -5.328 -10.318 1.00 73.01 H new ATOM 0 HZ1 LYS A 116 -11.029 -5.536 -12.068 1.00 22.41 H new ATOM 0 HZ2 LYS A 116 -10.633 -7.071 -11.460 1.00 22.41 H new ATOM 0 HZ3 LYS A 116 -12.101 -6.338 -11.023 1.00 22.41 H new ATOM 1918 N LYS A 117 -12.107 -2.844 -4.560 1.00 64.04 N ATOM 1919 CA LYS A 117 -12.989 -1.780 -4.050 1.00 23.42 C ATOM 1920 C LYS A 117 -12.253 -0.936 -2.996 1.00 1.11 C ATOM 1921 O LYS A 117 -12.296 0.298 -3.041 1.00 65.34 O ATOM 1922 CB LYS A 117 -14.291 -2.379 -3.445 1.00 10.02 C ATOM 1923 CG LYS A 117 -15.111 -3.256 -4.419 1.00 24.05 C ATOM 1924 CD LYS A 117 -15.583 -2.511 -5.690 1.00 1.00 C ATOM 1925 CE LYS A 117 -16.588 -1.391 -5.388 1.00 24.53 C ATOM 1926 NZ LYS A 117 -17.820 -1.897 -4.732 1.00 61.14 N ATOM 0 H LYS A 117 -12.352 -3.776 -4.227 1.00 64.04 H new ATOM 0 HA LYS A 117 -13.265 -1.138 -4.887 1.00 23.42 H new ATOM 0 HB2 LYS A 117 -14.028 -2.977 -2.572 1.00 10.02 H new ATOM 0 HB3 LYS A 117 -14.922 -1.562 -3.094 1.00 10.02 H new ATOM 0 HG2 LYS A 117 -14.507 -4.114 -4.716 1.00 24.05 H new ATOM 0 HG3 LYS A 117 -15.983 -3.646 -3.894 1.00 24.05 H new ATOM 0 HD2 LYS A 117 -14.717 -2.088 -6.199 1.00 1.00 H new ATOM 0 HD3 LYS A 117 -16.038 -3.226 -6.376 1.00 1.00 H new ATOM 0 HE2 LYS A 117 -16.117 -0.647 -4.745 1.00 24.53 H new ATOM 0 HE3 LYS A 117 -16.855 -0.886 -6.316 1.00 24.53 H new ATOM 0 HZ1 LYS A 117 -18.533 -1.141 -4.702 1.00 61.14 H new ATOM 0 HZ2 LYS A 117 -18.194 -2.704 -5.271 1.00 61.14 H new ATOM 0 HZ3 LYS A 117 -17.597 -2.201 -3.763 1.00 61.14 H new ATOM 1940 N ARG A 118 -11.563 -1.623 -2.062 1.00 73.50 N ATOM 1941 CA ARG A 118 -10.786 -0.968 -0.987 1.00 71.14 C ATOM 1942 C ARG A 118 -9.532 -0.280 -1.554 1.00 10.41 C ATOM 1943 O ARG A 118 -9.002 0.652 -0.947 1.00 73.11 O ATOM 1944 CB ARG A 118 -10.385 -1.992 0.108 1.00 22.12 C ATOM 1945 CG ARG A 118 -11.566 -2.748 0.748 1.00 74.33 C ATOM 1946 CD ARG A 118 -12.568 -1.840 1.485 1.00 52.21 C ATOM 1947 NE ARG A 118 -13.788 -2.586 1.818 1.00 22.11 N ATOM 1948 CZ ARG A 118 -14.576 -2.393 2.885 1.00 11.41 C ATOM 1949 NH1 ARG A 118 -14.301 -1.456 3.790 1.00 3.14 N ATOM 1950 NH2 ARG A 118 -15.660 -3.143 3.027 1.00 52.34 N ATOM 0 H ARG A 118 -11.528 -2.642 -2.031 1.00 73.50 H new ATOM 0 HA ARG A 118 -11.422 -0.207 -0.535 1.00 71.14 H new ATOM 0 HB2 ARG A 118 -9.699 -2.719 -0.327 1.00 22.12 H new ATOM 0 HB3 ARG A 118 -9.839 -1.469 0.893 1.00 22.12 H new ATOM 0 HG2 ARG A 118 -12.095 -3.299 -0.030 1.00 74.33 H new ATOM 0 HG3 ARG A 118 -11.175 -3.484 1.450 1.00 74.33 H new ATOM 0 HD2 ARG A 118 -12.113 -1.450 2.395 1.00 52.21 H new ATOM 0 HD3 ARG A 118 -12.818 -0.982 0.861 1.00 52.21 H new ATOM 0 HE ARG A 118 -14.064 -3.326 1.172 1.00 22.11 H new ATOM 0 HH11 ARG A 118 -13.476 -0.867 3.679 1.00 3.14 H new ATOM 0 HH12 ARG A 118 -14.915 -1.328 4.594 1.00 3.14 H new ATOM 0 HH21 ARG A 118 -15.883 -3.854 2.330 1.00 52.34 H new ATOM 0 HH22 ARG A 118 -16.271 -3.009 3.833 1.00 52.34 H new ATOM 1964 N LEU A 119 -9.066 -0.768 -2.722 1.00 23.21 N ATOM 1965 CA LEU A 119 -7.920 -0.198 -3.446 1.00 72.33 C ATOM 1966 C LEU A 119 -8.292 1.221 -3.917 1.00 4.55 C ATOM 1967 O LEU A 119 -7.633 2.197 -3.545 1.00 62.42 O ATOM 1968 CB LEU A 119 -7.525 -1.129 -4.641 1.00 24.14 C ATOM 1969 CG LEU A 119 -6.045 -1.065 -5.170 1.00 44.42 C ATOM 1970 CD1 LEU A 119 -5.686 0.304 -5.775 1.00 21.30 C ATOM 1971 CD2 LEU A 119 -5.040 -1.464 -4.067 1.00 54.14 C ATOM 0 H LEU A 119 -9.480 -1.575 -3.189 1.00 23.21 H new ATOM 0 HA LEU A 119 -7.050 -0.129 -2.793 1.00 72.33 H new ATOM 0 HB2 LEU A 119 -7.729 -2.158 -4.344 1.00 24.14 H new ATOM 0 HB3 LEU A 119 -8.188 -0.900 -5.475 1.00 24.14 H new ATOM 0 HG LEU A 119 -5.975 -1.792 -5.979 1.00 44.42 H new ATOM 0 HD11 LEU A 119 -4.653 0.288 -6.123 1.00 21.30 H new ATOM 0 HD12 LEU A 119 -6.348 0.516 -6.614 1.00 21.30 H new ATOM 0 HD13 LEU A 119 -5.802 1.079 -5.017 1.00 21.30 H new ATOM 0 HD21 LEU A 119 -4.026 -1.410 -4.462 1.00 54.14 H new ATOM 0 HD22 LEU A 119 -5.137 -0.782 -3.222 1.00 54.14 H new ATOM 0 HD23 LEU A 119 -5.247 -2.482 -3.737 1.00 54.14 H new ATOM 1983 N LYS A 120 -9.391 1.316 -4.698 1.00 33.43 N ATOM 1984 CA LYS A 120 -9.890 2.598 -5.232 1.00 43.13 C ATOM 1985 C LYS A 120 -10.358 3.535 -4.095 1.00 61.33 C ATOM 1986 O LYS A 120 -10.207 4.748 -4.201 1.00 22.33 O ATOM 1987 CB LYS A 120 -11.036 2.365 -6.251 1.00 63.11 C ATOM 1988 CG LYS A 120 -11.592 3.665 -6.896 1.00 11.41 C ATOM 1989 CD LYS A 120 -12.616 3.391 -8.016 1.00 14.44 C ATOM 1990 CE LYS A 120 -12.014 2.623 -9.204 1.00 70.13 C ATOM 1991 NZ LYS A 120 -13.063 2.186 -10.165 1.00 30.32 N ATOM 0 H LYS A 120 -9.952 0.510 -4.973 1.00 33.43 H new ATOM 0 HA LYS A 120 -9.063 3.083 -5.750 1.00 43.13 H new ATOM 0 HB2 LYS A 120 -10.675 1.707 -7.041 1.00 63.11 H new ATOM 0 HB3 LYS A 120 -11.852 1.844 -5.750 1.00 63.11 H new ATOM 0 HG2 LYS A 120 -12.061 4.275 -6.124 1.00 11.41 H new ATOM 0 HG3 LYS A 120 -10.764 4.246 -7.302 1.00 11.41 H new ATOM 0 HD2 LYS A 120 -13.450 2.821 -7.607 1.00 14.44 H new ATOM 0 HD3 LYS A 120 -13.021 4.339 -8.371 1.00 14.44 H new ATOM 0 HE2 LYS A 120 -11.291 3.256 -9.718 1.00 70.13 H new ATOM 0 HE3 LYS A 120 -11.471 1.752 -8.837 1.00 70.13 H new ATOM 0 HZ1 LYS A 120 -12.620 1.672 -10.953 1.00 30.32 H new ATOM 0 HZ2 LYS A 120 -13.739 1.562 -9.681 1.00 30.32 H new ATOM 0 HZ3 LYS A 120 -13.564 3.019 -10.534 1.00 30.32 H new ATOM 2005 N GLU A 121 -10.886 2.939 -3.004 1.00 12.24 N ATOM 2006 CA GLU A 121 -11.306 3.660 -1.779 1.00 62.34 C ATOM 2007 C GLU A 121 -10.169 4.563 -1.253 1.00 22.11 C ATOM 2008 O GLU A 121 -10.399 5.723 -0.890 1.00 14.12 O ATOM 2009 CB GLU A 121 -11.711 2.626 -0.698 1.00 54.14 C ATOM 2010 CG GLU A 121 -12.116 3.210 0.668 1.00 43.22 C ATOM 2011 CD GLU A 121 -12.292 2.135 1.754 1.00 14.21 C ATOM 2012 OE1 GLU A 121 -13.393 2.009 2.334 1.00 32.23 O ATOM 2013 OE2 GLU A 121 -11.307 1.420 2.050 1.00 43.34 O ATOM 0 H GLU A 121 -11.035 1.932 -2.947 1.00 12.24 H new ATOM 0 HA GLU A 121 -12.157 4.298 -2.017 1.00 62.34 H new ATOM 0 HB2 GLU A 121 -12.543 2.035 -1.081 1.00 54.14 H new ATOM 0 HB3 GLU A 121 -10.877 1.941 -0.546 1.00 54.14 H new ATOM 0 HG2 GLU A 121 -11.358 3.924 0.991 1.00 43.22 H new ATOM 0 HG3 GLU A 121 -13.049 3.763 0.558 1.00 43.22 H new ATOM 2020 N LEU A 122 -8.934 4.017 -1.283 1.00 52.01 N ATOM 2021 CA LEU A 122 -7.720 4.740 -0.863 1.00 70.12 C ATOM 2022 C LEU A 122 -7.409 5.882 -1.835 1.00 44.44 C ATOM 2023 O LEU A 122 -7.104 6.987 -1.409 1.00 72.12 O ATOM 2024 CB LEU A 122 -6.499 3.794 -0.775 1.00 70.22 C ATOM 2025 CG LEU A 122 -6.653 2.557 0.152 1.00 53.35 C ATOM 2026 CD1 LEU A 122 -5.324 1.800 0.240 1.00 23.41 C ATOM 2027 CD2 LEU A 122 -7.195 2.931 1.551 1.00 43.51 C ATOM 0 H LEU A 122 -8.754 3.064 -1.599 1.00 52.01 H new ATOM 0 HA LEU A 122 -7.914 5.149 0.128 1.00 70.12 H new ATOM 0 HB2 LEU A 122 -6.266 3.442 -1.780 1.00 70.22 H new ATOM 0 HB3 LEU A 122 -5.641 4.373 -0.433 1.00 70.22 H new ATOM 0 HG LEU A 122 -7.400 1.898 -0.291 1.00 53.35 H new ATOM 0 HD11 LEU A 122 -5.441 0.934 0.892 1.00 23.41 H new ATOM 0 HD12 LEU A 122 -5.028 1.468 -0.755 1.00 23.41 H new ATOM 0 HD13 LEU A 122 -4.556 2.459 0.646 1.00 23.41 H new ATOM 0 HD21 LEU A 122 -7.284 2.031 2.159 1.00 43.51 H new ATOM 0 HD22 LEU A 122 -6.509 3.628 2.032 1.00 43.51 H new ATOM 0 HD23 LEU A 122 -8.175 3.398 1.449 1.00 43.51 H new ATOM 2039 N LEU A 123 -7.522 5.597 -3.146 1.00 50.32 N ATOM 2040 CA LEU A 123 -7.293 6.593 -4.219 1.00 34.42 C ATOM 2041 C LEU A 123 -8.290 7.771 -4.108 1.00 11.23 C ATOM 2042 O LEU A 123 -7.960 8.899 -4.470 1.00 72.13 O ATOM 2043 CB LEU A 123 -7.359 5.928 -5.632 1.00 72.35 C ATOM 2044 CG LEU A 123 -6.053 5.213 -6.143 1.00 3.02 C ATOM 2045 CD1 LEU A 123 -4.865 6.203 -6.249 1.00 43.02 C ATOM 2046 CD2 LEU A 123 -5.674 3.985 -5.283 1.00 34.54 C ATOM 0 H LEU A 123 -7.774 4.672 -3.495 1.00 50.32 H new ATOM 0 HA LEU A 123 -6.288 6.995 -4.090 1.00 34.42 H new ATOM 0 HB2 LEU A 123 -8.166 5.196 -5.625 1.00 72.35 H new ATOM 0 HB3 LEU A 123 -7.631 6.696 -6.356 1.00 72.35 H new ATOM 0 HG LEU A 123 -6.277 4.845 -7.144 1.00 3.02 H new ATOM 0 HD11 LEU A 123 -3.981 5.674 -6.605 1.00 43.02 H new ATOM 0 HD12 LEU A 123 -5.117 7.000 -6.949 1.00 43.02 H new ATOM 0 HD13 LEU A 123 -4.661 6.632 -5.268 1.00 43.02 H new ATOM 0 HD21 LEU A 123 -4.766 3.530 -5.679 1.00 34.54 H new ATOM 0 HD22 LEU A 123 -5.502 4.301 -4.254 1.00 34.54 H new ATOM 0 HD23 LEU A 123 -6.486 3.258 -5.309 1.00 34.54 H new ATOM 2058 N GLU A 124 -9.491 7.491 -3.568 1.00 71.24 N ATOM 2059 CA GLU A 124 -10.520 8.514 -3.299 1.00 62.02 C ATOM 2060 C GLU A 124 -10.140 9.358 -2.066 1.00 23.13 C ATOM 2061 O GLU A 124 -10.435 10.547 -2.019 1.00 51.23 O ATOM 2062 CB GLU A 124 -11.909 7.844 -3.116 1.00 74.12 C ATOM 2063 CG GLU A 124 -12.386 7.072 -4.362 1.00 64.31 C ATOM 2064 CD GLU A 124 -13.774 6.435 -4.215 1.00 3.45 C ATOM 2065 OE1 GLU A 124 -14.784 7.178 -4.307 1.00 35.13 O ATOM 2066 OE2 GLU A 124 -13.867 5.198 -4.015 1.00 34.24 O ATOM 0 H GLU A 124 -9.776 6.547 -3.305 1.00 71.24 H new ATOM 0 HA GLU A 124 -10.577 9.186 -4.155 1.00 62.02 H new ATOM 0 HB2 GLU A 124 -11.865 7.160 -2.269 1.00 74.12 H new ATOM 0 HB3 GLU A 124 -12.644 8.610 -2.869 1.00 74.12 H new ATOM 0 HG2 GLU A 124 -12.399 7.752 -5.214 1.00 64.31 H new ATOM 0 HG3 GLU A 124 -11.662 6.290 -4.590 1.00 64.31 H new ATOM 2073 N LYS A 125 -9.460 8.720 -1.084 1.00 33.31 N ATOM 2074 CA LYS A 125 -8.912 9.409 0.113 1.00 64.11 C ATOM 2075 C LYS A 125 -7.731 10.328 -0.274 1.00 23.03 C ATOM 2076 O LYS A 125 -7.471 11.330 0.395 1.00 44.01 O ATOM 2077 CB LYS A 125 -8.442 8.370 1.174 1.00 2.33 C ATOM 2078 CG LYS A 125 -9.547 7.424 1.691 1.00 70.04 C ATOM 2079 CD LYS A 125 -8.996 6.342 2.648 1.00 42.11 C ATOM 2080 CE LYS A 125 -10.067 5.340 3.107 1.00 21.31 C ATOM 2081 NZ LYS A 125 -11.166 5.991 3.866 1.00 2.44 N ATOM 0 H LYS A 125 -9.275 7.717 -1.097 1.00 33.31 H new ATOM 0 HA LYS A 125 -9.707 10.020 0.540 1.00 64.11 H new ATOM 0 HB2 LYS A 125 -7.642 7.769 0.743 1.00 2.33 H new ATOM 0 HB3 LYS A 125 -8.016 8.906 2.022 1.00 2.33 H new ATOM 0 HG2 LYS A 125 -10.309 8.008 2.207 1.00 70.04 H new ATOM 0 HG3 LYS A 125 -10.034 6.942 0.844 1.00 70.04 H new ATOM 0 HD2 LYS A 125 -8.191 5.801 2.150 1.00 42.11 H new ATOM 0 HD3 LYS A 125 -8.562 6.826 3.523 1.00 42.11 H new ATOM 0 HE2 LYS A 125 -10.482 4.832 2.236 1.00 21.31 H new ATOM 0 HE3 LYS A 125 -9.602 4.576 3.730 1.00 21.31 H new ATOM 0 HZ1 LYS A 125 -11.845 5.269 4.182 1.00 2.44 H new ATOM 0 HZ2 LYS A 125 -10.773 6.482 4.694 1.00 2.44 H new ATOM 0 HZ3 LYS A 125 -11.651 6.678 3.254 1.00 2.44 H new ATOM 2095 N VAL A 126 -7.017 9.954 -1.355 1.00 34.32 N ATOM 2096 CA VAL A 126 -5.869 10.724 -1.868 1.00 10.01 C ATOM 2097 C VAL A 126 -6.353 11.966 -2.640 1.00 4.24 C ATOM 2098 O VAL A 126 -5.897 13.090 -2.384 1.00 52.22 O ATOM 2099 CB VAL A 126 -4.952 9.867 -2.819 1.00 42.24 C ATOM 2100 CG1 VAL A 126 -3.746 10.699 -3.303 1.00 35.11 C ATOM 2101 CG2 VAL A 126 -4.487 8.562 -2.137 1.00 5.25 C ATOM 0 H VAL A 126 -7.220 9.112 -1.894 1.00 34.32 H new ATOM 0 HA VAL A 126 -5.283 11.023 -0.999 1.00 10.01 H new ATOM 0 HB VAL A 126 -5.546 9.584 -3.688 1.00 42.24 H new ATOM 0 HG11 VAL A 126 -3.124 10.090 -3.959 1.00 35.11 H new ATOM 0 HG12 VAL A 126 -4.102 11.573 -3.849 1.00 35.11 H new ATOM 0 HG13 VAL A 126 -3.159 11.023 -2.444 1.00 35.11 H new ATOM 0 HG21 VAL A 126 -3.856 7.997 -2.824 1.00 5.25 H new ATOM 0 HG22 VAL A 126 -3.919 8.803 -1.238 1.00 5.25 H new ATOM 0 HG23 VAL A 126 -5.357 7.963 -1.867 1.00 5.25 H new