USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1081 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 1 MET N :NH3+ -119:sc= -0.217 (180deg=-0.365) USER MOD Set 1.2: A 27 GLN : amide:sc= 0 K(o=-0.22,f=-2.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 100:sc= -0.351 USER MOD Single : A 7 HIS : no HD1:sc= -0.434 X(o=-0.43,f=-0.26) USER MOD Single : A 9 LYS NZ :NH3+ -171:sc=-0.00262 (180deg=-0.12) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= -0.405 (180deg=-0.451) USER MOD Single : A 17 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 180:sc= -0.0437 USER MOD Single : A 31 ASN : amide:sc= 0.054 K(o=0.054,f=-4.1!) USER MOD Single : A 37 CYS SG : rot 130:sc= 0.958 USER MOD Single : A 41 CYS SG : rot 180:sc= 0.0428 USER MOD Single : A 43 ASN : amide:sc= -2.9! C(o=-2.9!,f=-3.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= -0.0801 (180deg=-0.524) USER MOD Single : A 58 MET CE :methyl -172:sc= 0 (180deg=-0.0233) USER MOD Single : A 63 GLN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 147:sc= 0 (180deg=-1.47) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= -0.484 (180deg=-0.991) USER MOD Single : A 81 ASN : amide:sc= -0.004 X(o=-0.004,f=0) USER MOD Single : A 83 THR OG1 : rot 60:sc= 0.716 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 26:sc= 1.11 USER MOD Single : A 104 HIS : no HD1:sc= -0.526 K(o=-0.53,f=-1.5!) USER MOD Single : A 106 LYS NZ :NH3+ -156:sc= 0.7 (180deg=0.259) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 MET CE :methyl -136:sc= -1.5 (180deg=-3.5!) USER MOD Single : A 121 SER OG : rot -120:sc= 0 USER MOD Single : A 125 ASN : amide:sc=-0.00265 K(o=-0.0027,f=-1.5!) USER MOD Single : A 130 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.137) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.013 -0.455 0.121 1.00 31.32 N ATOM 2 CA MET A 1 1.641 -0.697 -1.173 1.00 10.34 C ATOM 3 C MET A 1 2.812 -1.665 -1.036 1.00 74.15 C ATOM 4 O MET A 1 3.824 -1.348 -0.411 1.00 31.33 O ATOM 5 CB MET A 1 2.122 0.621 -1.784 1.00 22.33 C ATOM 6 CG MET A 1 0.998 1.602 -2.074 1.00 4.31 C ATOM 7 SD MET A 1 -0.132 1.007 -3.346 1.00 52.32 S ATOM 8 CE MET A 1 -1.334 2.335 -3.379 1.00 30.01 C ATOM 0 H1 MET A 1 0.021 -0.765 0.089 1.00 31.32 H new ATOM 0 H2 MET A 1 1.519 -0.988 0.857 1.00 31.32 H new ATOM 0 H3 MET A 1 1.051 0.561 0.341 1.00 31.32 H new ATOM 0 HA MET A 1 0.898 -1.145 -1.832 1.00 10.34 H new ATOM 0 HB2 MET A 1 2.835 1.088 -1.105 1.00 22.33 H new ATOM 0 HB3 MET A 1 2.656 0.409 -2.710 1.00 22.33 H new ATOM 0 HG2 MET A 1 0.440 1.790 -1.157 1.00 4.31 H new ATOM 0 HG3 MET A 1 1.424 2.554 -2.389 1.00 4.31 H new ATOM 0 HE1 MET A 1 -2.101 2.113 -4.120 1.00 30.01 H new ATOM 0 HE2 MET A 1 -1.796 2.432 -2.397 1.00 30.01 H new ATOM 0 HE3 MET A 1 -0.837 3.269 -3.640 1.00 30.01 H new ATOM 18 N THR A 2 2.667 -2.848 -1.626 1.00 22.00 N ATOM 19 CA THR A 2 3.712 -3.863 -1.569 1.00 54.11 C ATOM 20 C THR A 2 4.703 -3.697 -2.715 1.00 75.05 C ATOM 21 O THR A 2 4.397 -3.065 -3.728 1.00 33.14 O ATOM 22 CB THR A 2 3.118 -5.283 -1.620 1.00 70.42 C ATOM 23 OG1 THR A 2 2.384 -5.464 -2.836 1.00 72.12 O ATOM 24 CG2 THR A 2 2.205 -5.531 -0.429 1.00 31.40 C ATOM 0 H THR A 2 1.836 -3.126 -2.148 1.00 22.00 H new ATOM 0 HA THR A 2 4.232 -3.728 -0.621 1.00 54.11 H new ATOM 0 HB THR A 2 3.940 -5.998 -1.583 1.00 70.42 H new ATOM 0 HG1 THR A 2 2.011 -6.370 -2.861 1.00 72.12 H new ATOM 0 HG21 THR A 2 1.797 -6.540 -0.487 1.00 31.40 H new ATOM 0 HG22 THR A 2 2.774 -5.422 0.494 1.00 31.40 H new ATOM 0 HG23 THR A 2 1.389 -4.809 -0.440 1.00 31.40 H new ATOM 32 N LEU A 3 5.891 -4.268 -2.551 1.00 74.35 N ATOM 33 CA LEU A 3 6.928 -4.184 -3.574 1.00 74.31 C ATOM 34 C LEU A 3 6.510 -4.934 -4.835 1.00 44.35 C ATOM 35 O LEU A 3 5.715 -5.873 -4.795 1.00 2.21 O ATOM 36 CB LEU A 3 8.244 -4.753 -3.041 1.00 40.34 C ATOM 37 CG LEU A 3 8.591 -4.399 -1.595 1.00 3.01 C ATOM 38 CD1 LEU A 3 9.951 -4.968 -1.218 1.00 15.51 C ATOM 39 CD2 LEU A 3 8.568 -2.891 -1.394 1.00 53.33 C ATOM 0 H LEU A 3 6.160 -4.794 -1.720 1.00 74.35 H new ATOM 0 HA LEU A 3 7.070 -3.134 -3.828 1.00 74.31 H new ATOM 0 HB2 LEU A 3 8.210 -5.839 -3.130 1.00 40.34 H new ATOM 0 HB3 LEU A 3 9.053 -4.406 -3.683 1.00 40.34 H new ATOM 0 HG LEU A 3 7.840 -4.844 -0.942 1.00 3.01 H new ATOM 0 HD11 LEU A 3 10.181 -4.706 -0.185 1.00 15.51 H new ATOM 0 HD12 LEU A 3 9.933 -6.053 -1.322 1.00 15.51 H new ATOM 0 HD13 LEU A 3 10.714 -4.553 -1.876 1.00 15.51 H new ATOM 0 HD21 LEU A 3 8.817 -2.658 -0.359 1.00 53.33 H new ATOM 0 HD22 LEU A 3 9.297 -2.424 -2.057 1.00 53.33 H new ATOM 0 HD23 LEU A 3 7.573 -2.509 -1.622 1.00 53.33 H new ATOM 51 N PRO A 4 7.060 -4.512 -5.984 1.00 2.11 N ATOM 52 CA PRO A 4 6.762 -5.131 -7.279 1.00 20.03 C ATOM 53 C PRO A 4 7.348 -6.534 -7.399 1.00 41.43 C ATOM 54 O PRO A 4 6.945 -7.313 -8.263 1.00 4.21 O ATOM 55 CB PRO A 4 7.424 -4.186 -8.285 1.00 25.44 C ATOM 56 CG PRO A 4 8.517 -3.523 -7.519 1.00 31.31 C ATOM 57 CD PRO A 4 8.016 -3.398 -6.107 1.00 31.34 C ATOM 0 HA PRO A 4 5.690 -5.257 -7.434 1.00 20.03 H new ATOM 0 HB2 PRO A 4 7.817 -4.733 -9.142 1.00 25.44 H new ATOM 0 HB3 PRO A 4 6.712 -3.456 -8.671 1.00 25.44 H new ATOM 0 HG2 PRO A 4 9.433 -4.112 -7.557 1.00 31.31 H new ATOM 0 HG3 PRO A 4 8.750 -2.544 -7.939 1.00 31.31 H new ATOM 0 HD2 PRO A 4 8.827 -3.483 -5.384 1.00 31.34 H new ATOM 0 HD3 PRO A 4 7.535 -2.435 -5.935 1.00 31.34 H new ATOM 65 N SER A 5 8.301 -6.849 -6.528 1.00 11.23 N ATOM 66 CA SER A 5 8.945 -8.157 -6.539 1.00 71.10 C ATOM 67 C SER A 5 8.035 -9.216 -5.923 1.00 2.31 C ATOM 68 O SER A 5 8.222 -10.412 -6.138 1.00 23.40 O ATOM 69 CB SER A 5 10.271 -8.103 -5.778 1.00 42.24 C ATOM 70 OG SER A 5 10.300 -7.006 -4.881 1.00 32.51 O ATOM 0 H SER A 5 8.644 -6.216 -5.806 1.00 11.23 H new ATOM 0 HA SER A 5 9.140 -8.429 -7.576 1.00 71.10 H new ATOM 0 HB2 SER A 5 10.415 -9.032 -5.226 1.00 42.24 H new ATOM 0 HB3 SER A 5 11.097 -8.021 -6.485 1.00 42.24 H new ATOM 0 HG SER A 5 10.099 -7.319 -3.974 1.00 32.51 H new ATOM 76 N GLY A 6 7.048 -8.764 -5.155 1.00 23.55 N ATOM 77 CA GLY A 6 6.124 -9.684 -4.518 1.00 73.43 C ATOM 78 C GLY A 6 6.321 -9.759 -3.017 1.00 62.42 C ATOM 79 O GLY A 6 5.631 -10.513 -2.330 1.00 2.13 O ATOM 0 H GLY A 6 6.872 -7.778 -4.963 1.00 23.55 H new ATOM 0 HA2 GLY A 6 5.101 -9.373 -4.732 1.00 73.43 H new ATOM 0 HA3 GLY A 6 6.251 -10.678 -4.948 1.00 73.43 H new ATOM 83 N HIS A 7 7.267 -8.977 -2.507 1.00 21.55 N ATOM 84 CA HIS A 7 7.554 -8.959 -1.077 1.00 24.34 C ATOM 85 C HIS A 7 6.790 -7.836 -0.383 1.00 53.11 C ATOM 86 O HIS A 7 6.499 -6.794 -0.972 1.00 32.52 O ATOM 87 CB HIS A 7 9.056 -8.793 -0.839 1.00 14.33 C ATOM 88 CG HIS A 7 9.733 -10.049 -0.384 1.00 11.31 C ATOM 89 ND1 HIS A 7 9.446 -11.291 -0.909 1.00 41.01 N ATOM 90 CD2 HIS A 7 10.690 -10.249 0.552 1.00 65.35 C ATOM 91 CE1 HIS A 7 10.197 -12.202 -0.315 1.00 55.41 C ATOM 92 NE2 HIS A 7 10.961 -11.595 0.575 1.00 30.42 N ATOM 0 H HIS A 7 7.847 -8.348 -3.062 1.00 21.55 H new ATOM 0 HA HIS A 7 7.229 -9.910 -0.655 1.00 24.34 H new ATOM 0 HB2 HIS A 7 9.526 -8.450 -1.761 1.00 14.33 H new ATOM 0 HB3 HIS A 7 9.213 -8.014 -0.093 1.00 14.33 H new ATOM 0 HD2 HIS A 7 11.154 -9.491 1.166 1.00 65.35 H new ATOM 0 HE1 HIS A 7 10.188 -13.262 -0.522 1.00 55.41 H new ATOM 0 HE2 HIS A 7 11.642 -12.052 1.181 1.00 30.42 H new ATOM 100 N PRO A 8 6.455 -8.050 0.898 1.00 72.31 N ATOM 101 CA PRO A 8 5.719 -7.067 1.699 1.00 22.40 C ATOM 102 C PRO A 8 6.560 -5.837 2.023 1.00 62.25 C ATOM 103 O PRO A 8 7.657 -5.948 2.571 1.00 32.51 O ATOM 104 CB PRO A 8 5.380 -7.835 2.979 1.00 24.21 C ATOM 105 CG PRO A 8 6.429 -8.889 3.078 1.00 42.41 C ATOM 106 CD PRO A 8 6.769 -9.269 1.663 1.00 11.42 C ATOM 0 HA PRO A 8 4.846 -6.683 1.172 1.00 22.40 H new ATOM 0 HB2 PRO A 8 5.394 -7.179 3.850 1.00 24.21 H new ATOM 0 HB3 PRO A 8 4.383 -8.272 2.926 1.00 24.21 H new ATOM 0 HG2 PRO A 8 7.308 -8.517 3.604 1.00 42.41 H new ATOM 0 HG3 PRO A 8 6.065 -9.751 3.637 1.00 42.41 H new ATOM 0 HD2 PRO A 8 7.818 -9.547 1.563 1.00 11.42 H new ATOM 0 HD3 PRO A 8 6.179 -10.120 1.323 1.00 11.42 H new ATOM 114 N LYS A 9 6.040 -4.664 1.680 1.00 53.31 N ATOM 115 CA LYS A 9 6.741 -3.411 1.935 1.00 22.21 C ATOM 116 C LYS A 9 6.796 -3.113 3.430 1.00 22.31 C ATOM 117 O LYS A 9 7.861 -2.822 3.976 1.00 75.41 O ATOM 118 CB LYS A 9 6.054 -2.259 1.200 1.00 52.35 C ATOM 119 CG LYS A 9 6.868 -0.976 1.182 1.00 33.44 C ATOM 120 CD LYS A 9 6.295 0.034 0.203 1.00 44.41 C ATOM 121 CE LYS A 9 7.329 1.081 -0.185 1.00 75.04 C ATOM 122 NZ LYS A 9 7.902 1.763 1.007 1.00 2.35 N ATOM 0 H LYS A 9 5.134 -4.554 1.224 1.00 53.31 H new ATOM 0 HA LYS A 9 7.761 -3.513 1.565 1.00 22.21 H new ATOM 0 HB2 LYS A 9 5.850 -2.564 0.174 1.00 52.35 H new ATOM 0 HB3 LYS A 9 5.091 -2.062 1.671 1.00 52.35 H new ATOM 0 HG2 LYS A 9 6.889 -0.543 2.182 1.00 33.44 H new ATOM 0 HG3 LYS A 9 7.899 -1.202 0.911 1.00 33.44 H new ATOM 0 HD2 LYS A 9 5.945 -0.482 -0.691 1.00 44.41 H new ATOM 0 HD3 LYS A 9 5.429 0.524 0.648 1.00 44.41 H new ATOM 0 HE2 LYS A 9 8.130 0.607 -0.752 1.00 75.04 H new ATOM 0 HE3 LYS A 9 6.869 1.821 -0.840 1.00 75.04 H new ATOM 0 HZ1 LYS A 9 8.484 2.568 0.700 1.00 2.35 H new ATOM 0 HZ2 LYS A 9 7.131 2.106 1.615 1.00 2.35 H new ATOM 0 HZ3 LYS A 9 8.492 1.093 1.540 1.00 2.35 H new ATOM 136 N SER A 10 5.643 -3.189 4.087 1.00 61.12 N ATOM 137 CA SER A 10 5.560 -2.925 5.519 1.00 61.24 C ATOM 138 C SER A 10 6.542 -3.801 6.290 1.00 30.53 C ATOM 139 O SER A 10 7.132 -3.368 7.280 1.00 33.44 O ATOM 140 CB SER A 10 4.136 -3.170 6.022 1.00 42.30 C ATOM 141 OG SER A 10 3.930 -2.559 7.284 1.00 33.41 O ATOM 0 H SER A 10 4.753 -3.431 3.651 1.00 61.12 H new ATOM 0 HA SER A 10 5.822 -1.881 5.687 1.00 61.24 H new ATOM 0 HB2 SER A 10 3.419 -2.775 5.302 1.00 42.30 H new ATOM 0 HB3 SER A 10 3.953 -4.242 6.099 1.00 42.30 H new ATOM 0 HG SER A 10 3.012 -2.728 7.584 1.00 33.41 H new ATOM 147 N ARG A 11 6.712 -5.036 5.829 1.00 32.44 N ATOM 148 CA ARG A 11 7.621 -5.975 6.476 1.00 33.01 C ATOM 149 C ARG A 11 9.074 -5.567 6.251 1.00 32.24 C ATOM 150 O ARG A 11 9.879 -5.559 7.184 1.00 52.42 O ATOM 151 CB ARG A 11 7.389 -7.391 5.944 1.00 2.34 C ATOM 152 CG ARG A 11 7.531 -8.470 7.005 1.00 73.31 C ATOM 153 CD ARG A 11 6.255 -8.624 7.817 1.00 14.25 C ATOM 154 NE ARG A 11 6.142 -9.952 8.414 1.00 0.02 N ATOM 155 CZ ARG A 11 5.208 -10.283 9.299 1.00 24.41 C ATOM 156 NH1 ARG A 11 4.311 -9.388 9.688 1.00 71.25 N ATOM 157 NH2 ARG A 11 5.171 -11.513 9.797 1.00 41.20 N ATOM 0 H ARG A 11 6.232 -5.410 5.010 1.00 32.44 H new ATOM 0 HA ARG A 11 7.419 -5.959 7.547 1.00 33.01 H new ATOM 0 HB2 ARG A 11 6.390 -7.448 5.511 1.00 2.34 H new ATOM 0 HB3 ARG A 11 8.097 -7.589 5.140 1.00 2.34 H new ATOM 0 HG2 ARG A 11 7.778 -9.419 6.529 1.00 73.31 H new ATOM 0 HG3 ARG A 11 8.359 -8.222 7.669 1.00 73.31 H new ATOM 0 HD2 ARG A 11 6.233 -7.870 8.604 1.00 14.25 H new ATOM 0 HD3 ARG A 11 5.393 -8.441 7.176 1.00 14.25 H new ATOM 0 HE ARG A 11 6.817 -10.664 8.136 1.00 0.02 H new ATOM 0 HH11 ARG A 11 4.336 -8.442 9.308 1.00 71.25 H new ATOM 0 HH12 ARG A 11 3.595 -9.645 10.368 1.00 71.25 H new ATOM 0 HH21 ARG A 11 5.860 -12.204 9.500 1.00 41.20 H new ATOM 0 HH22 ARG A 11 4.454 -11.767 10.476 1.00 41.20 H new ATOM 171 N LEU A 12 9.403 -5.230 5.009 1.00 31.33 N ATOM 172 CA LEU A 12 10.759 -4.822 4.661 1.00 4.43 C ATOM 173 C LEU A 12 11.184 -3.600 5.469 1.00 2.24 C ATOM 174 O LEU A 12 12.267 -3.577 6.055 1.00 0.14 O ATOM 175 CB LEU A 12 10.853 -4.516 3.165 1.00 11.44 C ATOM 176 CG LEU A 12 11.363 -5.652 2.278 1.00 34.14 C ATOM 177 CD1 LEU A 12 12.754 -6.085 2.713 1.00 61.41 C ATOM 178 CD2 LEU A 12 10.400 -6.830 2.315 1.00 54.23 C ATOM 0 H LEU A 12 8.749 -5.231 4.226 1.00 31.33 H new ATOM 0 HA LEU A 12 11.432 -5.645 4.900 1.00 4.43 H new ATOM 0 HB2 LEU A 12 9.865 -4.222 2.812 1.00 11.44 H new ATOM 0 HB3 LEU A 12 11.508 -3.655 3.031 1.00 11.44 H new ATOM 0 HG LEU A 12 11.422 -5.288 1.252 1.00 34.14 H new ATOM 0 HD11 LEU A 12 13.101 -6.894 2.070 1.00 61.41 H new ATOM 0 HD12 LEU A 12 13.439 -5.241 2.635 1.00 61.41 H new ATOM 0 HD13 LEU A 12 12.721 -6.431 3.746 1.00 61.41 H new ATOM 0 HD21 LEU A 12 10.779 -7.630 1.678 1.00 54.23 H new ATOM 0 HD22 LEU A 12 10.309 -7.194 3.339 1.00 54.23 H new ATOM 0 HD23 LEU A 12 9.422 -6.512 1.955 1.00 54.23 H new ATOM 190 N ILE A 13 10.324 -2.587 5.498 1.00 61.41 N ATOM 191 CA ILE A 13 10.609 -1.364 6.237 1.00 3.01 C ATOM 192 C ILE A 13 10.914 -1.664 7.701 1.00 71.42 C ATOM 193 O ILE A 13 11.898 -1.174 8.255 1.00 15.34 O ATOM 194 CB ILE A 13 9.432 -0.374 6.162 1.00 1.42 C ATOM 195 CG1 ILE A 13 9.172 0.034 4.711 1.00 51.23 C ATOM 196 CG2 ILE A 13 9.715 0.851 7.020 1.00 72.13 C ATOM 197 CD1 ILE A 13 10.304 0.824 4.093 1.00 65.14 C ATOM 0 H ILE A 13 9.424 -2.590 5.018 1.00 61.41 H new ATOM 0 HA ILE A 13 11.484 -0.911 5.772 1.00 3.01 H new ATOM 0 HB ILE A 13 8.538 -0.865 6.547 1.00 1.42 H new ATOM 0 HG12 ILE A 13 8.998 -0.862 4.116 1.00 51.23 H new ATOM 0 HG13 ILE A 13 8.259 0.628 4.667 1.00 51.23 H new ATOM 0 HG21 ILE A 13 8.874 1.542 6.957 1.00 72.13 H new ATOM 0 HG22 ILE A 13 9.856 0.545 8.057 1.00 72.13 H new ATOM 0 HG23 ILE A 13 10.618 1.345 6.662 1.00 72.13 H new ATOM 0 HD11 ILE A 13 10.050 1.079 3.064 1.00 65.14 H new ATOM 0 HD12 ILE A 13 10.464 1.738 4.665 1.00 65.14 H new ATOM 0 HD13 ILE A 13 11.214 0.225 4.104 1.00 65.14 H new ATOM 209 N LYS A 14 10.064 -2.476 8.322 1.00 43.43 N ATOM 210 CA LYS A 14 10.243 -2.846 9.721 1.00 52.43 C ATOM 211 C LYS A 14 11.512 -3.671 9.908 1.00 51.24 C ATOM 212 O LYS A 14 12.310 -3.407 10.807 1.00 10.32 O ATOM 213 CB LYS A 14 9.030 -3.635 10.220 1.00 43.05 C ATOM 214 CG LYS A 14 7.748 -2.822 10.254 1.00 33.14 C ATOM 215 CD LYS A 14 7.593 -2.080 11.572 1.00 64.35 C ATOM 216 CE LYS A 14 8.243 -0.706 11.516 1.00 14.15 C ATOM 217 NZ LYS A 14 7.682 0.214 12.545 1.00 24.31 N ATOM 0 H LYS A 14 9.244 -2.890 7.878 1.00 43.43 H new ATOM 0 HA LYS A 14 10.338 -1.930 10.304 1.00 52.43 H new ATOM 0 HB2 LYS A 14 8.883 -4.503 9.578 1.00 43.05 H new ATOM 0 HB3 LYS A 14 9.239 -4.011 11.222 1.00 43.05 H new ATOM 0 HG2 LYS A 14 7.747 -2.107 9.431 1.00 33.14 H new ATOM 0 HG3 LYS A 14 6.893 -3.482 10.104 1.00 33.14 H new ATOM 0 HD2 LYS A 14 6.534 -1.974 11.809 1.00 64.35 H new ATOM 0 HD3 LYS A 14 8.042 -2.664 12.375 1.00 64.35 H new ATOM 0 HE2 LYS A 14 9.318 -0.806 11.665 1.00 14.15 H new ATOM 0 HE3 LYS A 14 8.098 -0.275 10.525 1.00 14.15 H new ATOM 0 HZ1 LYS A 14 8.150 1.140 12.475 1.00 24.31 H new ATOM 0 HZ2 LYS A 14 6.661 0.330 12.387 1.00 24.31 H new ATOM 0 HZ3 LYS A 14 7.843 -0.185 13.492 1.00 24.31 H new ATOM 231 N LYS A 15 11.693 -4.671 9.052 1.00 45.45 N ATOM 232 CA LYS A 15 12.867 -5.533 9.120 1.00 71.42 C ATOM 233 C LYS A 15 14.150 -4.717 9.003 1.00 61.01 C ATOM 234 O LYS A 15 15.067 -4.864 9.811 1.00 30.13 O ATOM 235 CB LYS A 15 12.817 -6.586 8.010 1.00 53.00 C ATOM 236 CG LYS A 15 11.798 -7.685 8.260 1.00 43.24 C ATOM 237 CD LYS A 15 11.692 -8.627 7.072 1.00 24.12 C ATOM 238 CE LYS A 15 12.458 -9.919 7.316 1.00 54.11 C ATOM 239 NZ LYS A 15 11.669 -11.115 6.910 1.00 65.42 N ATOM 0 H LYS A 15 11.041 -4.905 8.303 1.00 45.45 H new ATOM 0 HA LYS A 15 12.863 -6.033 10.088 1.00 71.42 H new ATOM 0 HB2 LYS A 15 12.585 -6.095 7.065 1.00 53.00 H new ATOM 0 HB3 LYS A 15 13.804 -7.035 7.902 1.00 53.00 H new ATOM 0 HG2 LYS A 15 12.080 -8.249 9.149 1.00 43.24 H new ATOM 0 HG3 LYS A 15 10.823 -7.240 8.461 1.00 43.24 H new ATOM 0 HD2 LYS A 15 10.644 -8.855 6.879 1.00 24.12 H new ATOM 0 HD3 LYS A 15 12.080 -8.135 6.180 1.00 24.12 H new ATOM 0 HE2 LYS A 15 13.395 -9.896 6.760 1.00 54.11 H new ATOM 0 HE3 LYS A 15 12.715 -9.995 8.372 1.00 54.11 H new ATOM 0 HZ1 LYS A 15 12.203 -11.977 7.139 1.00 65.42 H new ATOM 0 HZ2 LYS A 15 10.763 -11.123 7.421 1.00 65.42 H new ATOM 0 HZ3 LYS A 15 11.488 -11.081 5.886 1.00 65.42 H new ATOM 253 N PHE A 16 14.208 -3.855 7.993 1.00 71.41 N ATOM 254 CA PHE A 16 15.379 -3.015 7.771 1.00 52.01 C ATOM 255 C PHE A 16 15.656 -2.136 8.987 1.00 54.20 C ATOM 256 O PHE A 16 16.808 -1.836 9.302 1.00 13.30 O ATOM 257 CB PHE A 16 15.178 -2.141 6.531 1.00 62.31 C ATOM 258 CG PHE A 16 15.281 -2.901 5.239 1.00 34.13 C ATOM 259 CD1 PHE A 16 16.311 -3.803 5.031 1.00 63.22 C ATOM 260 CD2 PHE A 16 14.346 -2.713 4.234 1.00 44.35 C ATOM 261 CE1 PHE A 16 16.408 -4.504 3.844 1.00 63.45 C ATOM 262 CE2 PHE A 16 14.438 -3.411 3.045 1.00 60.35 C ATOM 263 CZ PHE A 16 15.471 -4.307 2.849 1.00 71.23 C ATOM 0 H PHE A 16 13.458 -3.720 7.315 1.00 71.41 H new ATOM 0 HA PHE A 16 16.238 -3.667 7.612 1.00 52.01 H new ATOM 0 HB2 PHE A 16 14.199 -1.665 6.586 1.00 62.31 H new ATOM 0 HB3 PHE A 16 15.921 -1.343 6.534 1.00 62.31 H new ATOM 0 HD1 PHE A 16 17.047 -3.960 5.805 1.00 63.22 H new ATOM 0 HD2 PHE A 16 13.537 -2.013 4.381 1.00 44.35 H new ATOM 0 HE1 PHE A 16 17.216 -5.205 3.695 1.00 63.45 H new ATOM 0 HE2 PHE A 16 13.703 -3.256 2.269 1.00 60.35 H new ATOM 0 HZ PHE A 16 15.546 -4.852 1.920 1.00 71.23 H new ATOM 273 N THR A 17 14.590 -1.725 9.668 1.00 41.24 N ATOM 274 CA THR A 17 14.716 -0.879 10.848 1.00 45.14 C ATOM 275 C THR A 17 15.469 -1.598 11.961 1.00 1.34 C ATOM 276 O THR A 17 16.013 -0.964 12.865 1.00 3.00 O ATOM 277 CB THR A 17 13.337 -0.441 11.375 1.00 2.12 C ATOM 278 OG1 THR A 17 12.597 0.205 10.334 1.00 51.52 O ATOM 279 CG2 THR A 17 13.485 0.502 12.559 1.00 4.45 C ATOM 0 H THR A 17 13.630 -1.965 9.422 1.00 41.24 H new ATOM 0 HA THR A 17 15.278 0.005 10.545 1.00 45.14 H new ATOM 0 HB THR A 17 12.799 -1.330 11.704 1.00 2.12 H new ATOM 0 HG1 THR A 17 12.139 -0.470 9.791 1.00 51.52 H new ATOM 0 HG21 THR A 17 12.498 0.798 12.914 1.00 4.45 H new ATOM 0 HG22 THR A 17 14.023 -0.003 13.361 1.00 4.45 H new ATOM 0 HG23 THR A 17 14.040 1.388 12.251 1.00 4.45 H new ATOM 287 N ALA A 18 15.497 -2.925 11.890 1.00 54.50 N ATOM 288 CA ALA A 18 16.185 -3.729 12.891 1.00 23.33 C ATOM 289 C ALA A 18 17.694 -3.702 12.674 1.00 5.25 C ATOM 290 O ALA A 18 18.461 -4.191 13.506 1.00 14.41 O ATOM 291 CB ALA A 18 15.672 -5.161 12.862 1.00 70.33 C ATOM 0 H ALA A 18 15.051 -3.465 11.149 1.00 54.50 H new ATOM 0 HA ALA A 18 15.977 -3.300 13.871 1.00 23.33 H new ATOM 0 HB1 ALA A 18 16.195 -5.750 13.615 1.00 70.33 H new ATOM 0 HB2 ALA A 18 14.603 -5.169 13.073 1.00 70.33 H new ATOM 0 HB3 ALA A 18 15.850 -5.591 11.877 1.00 70.33 H new ATOM 297 N LEU A 19 18.116 -3.128 11.553 1.00 71.43 N ATOM 298 CA LEU A 19 19.535 -3.038 11.226 1.00 13.30 C ATOM 299 C LEU A 19 20.050 -1.617 11.429 1.00 45.41 C ATOM 300 O LEU A 19 21.208 -1.318 11.137 1.00 13.32 O ATOM 301 CB LEU A 19 19.775 -3.478 9.781 1.00 73.11 C ATOM 302 CG LEU A 19 19.026 -4.732 9.328 1.00 32.13 C ATOM 303 CD1 LEU A 19 19.025 -4.835 7.811 1.00 54.41 C ATOM 304 CD2 LEU A 19 19.645 -5.976 9.948 1.00 22.12 C ATOM 0 H LEU A 19 17.496 -2.718 10.855 1.00 71.43 H new ATOM 0 HA LEU A 19 20.080 -3.702 11.896 1.00 13.30 H new ATOM 0 HB2 LEU A 19 19.498 -2.656 9.121 1.00 73.11 H new ATOM 0 HB3 LEU A 19 20.843 -3.649 9.647 1.00 73.11 H new ATOM 0 HG LEU A 19 17.993 -4.657 9.667 1.00 32.13 H new ATOM 0 HD11 LEU A 19 18.488 -5.733 7.508 1.00 54.41 H new ATOM 0 HD12 LEU A 19 18.535 -3.958 7.387 1.00 54.41 H new ATOM 0 HD13 LEU A 19 20.052 -4.887 7.449 1.00 54.41 H new ATOM 0 HD21 LEU A 19 19.099 -6.859 9.615 1.00 22.12 H new ATOM 0 HD22 LEU A 19 20.687 -6.056 9.640 1.00 22.12 H new ATOM 0 HD23 LEU A 19 19.592 -5.906 11.034 1.00 22.12 H new ATOM 316 N GLY A 20 19.183 -0.744 11.933 1.00 2.11 N ATOM 317 CA GLY A 20 19.570 0.635 12.169 1.00 62.24 C ATOM 318 C GLY A 20 18.378 1.537 12.421 1.00 62.51 C ATOM 319 O GLY A 20 17.378 1.129 13.012 1.00 61.42 O ATOM 0 H GLY A 20 18.219 -0.967 12.182 1.00 2.11 H new ATOM 0 HA2 GLY A 20 20.242 0.679 13.026 1.00 62.24 H new ATOM 0 HA3 GLY A 20 20.126 1.005 11.308 1.00 62.24 H new ATOM 323 N PRO A 21 18.477 2.795 11.968 1.00 51.13 N ATOM 324 CA PRO A 21 17.408 3.784 12.137 1.00 32.40 C ATOM 325 C PRO A 21 16.185 3.468 11.282 1.00 24.40 C ATOM 326 O PRO A 21 16.253 2.652 10.362 1.00 43.42 O ATOM 327 CB PRO A 21 18.058 5.091 11.678 1.00 12.31 C ATOM 328 CG PRO A 21 19.135 4.670 10.740 1.00 65.21 C ATOM 329 CD PRO A 21 19.640 3.350 11.255 1.00 73.14 C ATOM 0 HA PRO A 21 17.038 3.813 13.162 1.00 32.40 H new ATOM 0 HB2 PRO A 21 17.335 5.741 11.185 1.00 12.31 H new ATOM 0 HB3 PRO A 21 18.464 5.649 12.522 1.00 12.31 H new ATOM 0 HG2 PRO A 21 18.752 4.572 9.724 1.00 65.21 H new ATOM 0 HG3 PRO A 21 19.936 5.409 10.708 1.00 65.21 H new ATOM 0 HD2 PRO A 21 19.962 2.698 10.443 1.00 73.14 H new ATOM 0 HD3 PRO A 21 20.495 3.478 11.919 1.00 73.14 H new ATOM 337 N TYR A 22 15.069 4.118 11.591 1.00 20.32 N ATOM 338 CA TYR A 22 13.831 3.904 10.852 1.00 55.31 C ATOM 339 C TYR A 22 13.984 4.334 9.396 1.00 22.20 C ATOM 340 O TYR A 22 14.630 5.339 9.099 1.00 43.01 O ATOM 341 CB TYR A 22 12.683 4.676 11.505 1.00 52.54 C ATOM 342 CG TYR A 22 13.021 6.118 11.813 1.00 31.53 C ATOM 343 CD1 TYR A 22 13.056 7.074 10.806 1.00 5.11 C ATOM 344 CD2 TYR A 22 13.306 6.522 13.111 1.00 14.44 C ATOM 345 CE1 TYR A 22 13.366 8.392 11.083 1.00 35.21 C ATOM 346 CE2 TYR A 22 13.614 7.838 13.398 1.00 42.11 C ATOM 347 CZ TYR A 22 13.643 8.769 12.380 1.00 21.15 C ATOM 348 OH TYR A 22 13.951 10.080 12.661 1.00 4.25 O ATOM 0 H TYR A 22 14.996 4.797 12.348 1.00 20.32 H new ATOM 0 HA TYR A 22 13.604 2.838 10.875 1.00 55.31 H new ATOM 0 HB2 TYR A 22 11.816 4.648 10.845 1.00 52.54 H new ATOM 0 HB3 TYR A 22 12.397 4.173 12.429 1.00 52.54 H new ATOM 0 HD1 TYR A 22 12.837 6.782 9.789 1.00 5.11 H new ATOM 0 HD2 TYR A 22 13.287 5.795 13.910 1.00 14.44 H new ATOM 0 HE1 TYR A 22 13.391 9.123 10.288 1.00 35.21 H new ATOM 0 HE2 TYR A 22 13.831 8.136 14.413 1.00 42.11 H new ATOM 0 HH TYR A 22 14.118 10.178 13.622 1.00 4.25 H new ATOM 358 N ILE A 23 13.385 3.565 8.493 1.00 62.10 N ATOM 359 CA ILE A 23 13.453 3.866 7.068 1.00 22.14 C ATOM 360 C ILE A 23 12.247 4.685 6.621 1.00 30.42 C ATOM 361 O ILE A 23 11.112 4.396 7.002 1.00 5.35 O ATOM 362 CB ILE A 23 13.528 2.580 6.224 1.00 21.23 C ATOM 363 CG1 ILE A 23 14.798 1.796 6.561 1.00 21.12 C ATOM 364 CG2 ILE A 23 13.485 2.916 4.741 1.00 15.43 C ATOM 365 CD1 ILE A 23 14.656 0.910 7.779 1.00 4.44 C ATOM 0 H ILE A 23 12.847 2.729 8.723 1.00 62.10 H new ATOM 0 HA ILE A 23 14.362 4.447 6.911 1.00 22.14 H new ATOM 0 HB ILE A 23 12.665 1.957 6.461 1.00 21.23 H new ATOM 0 HG12 ILE A 23 15.074 1.181 5.704 1.00 21.12 H new ATOM 0 HG13 ILE A 23 15.616 2.498 6.726 1.00 21.12 H new ATOM 0 HG21 ILE A 23 13.539 1.997 4.158 1.00 15.43 H new ATOM 0 HG22 ILE A 23 12.555 3.436 4.513 1.00 15.43 H new ATOM 0 HG23 ILE A 23 14.330 3.556 4.488 1.00 15.43 H new ATOM 0 HD11 ILE A 23 15.594 0.385 7.958 1.00 4.44 H new ATOM 0 HD12 ILE A 23 14.411 1.522 8.647 1.00 4.44 H new ATOM 0 HD13 ILE A 23 13.860 0.184 7.610 1.00 4.44 H new ATOM 377 N ARG A 24 12.500 5.706 5.809 1.00 20.31 N ATOM 378 CA ARG A 24 11.435 6.566 5.309 1.00 53.21 C ATOM 379 C ARG A 24 10.620 5.854 4.233 1.00 21.33 C ATOM 380 O ARG A 24 10.976 5.877 3.056 1.00 75.25 O ATOM 381 CB ARG A 24 12.020 7.863 4.746 1.00 75.23 C ATOM 382 CG ARG A 24 10.982 8.950 4.517 1.00 3.14 C ATOM 383 CD ARG A 24 10.261 8.763 3.192 1.00 64.34 C ATOM 384 NE ARG A 24 9.849 10.036 2.608 1.00 45.52 N ATOM 385 CZ ARG A 24 10.698 10.910 2.078 1.00 52.45 C ATOM 386 NH1 ARG A 24 11.997 10.649 2.057 1.00 5.13 N ATOM 387 NH2 ARG A 24 10.246 12.048 1.565 1.00 3.25 N ATOM 0 H ARG A 24 13.433 5.958 5.483 1.00 20.31 H new ATOM 0 HA ARG A 24 10.774 6.805 6.142 1.00 53.21 H new ATOM 0 HB2 ARG A 24 12.780 8.237 5.432 1.00 75.23 H new ATOM 0 HB3 ARG A 24 12.521 7.646 3.803 1.00 75.23 H new ATOM 0 HG2 ARG A 24 10.257 8.940 5.331 1.00 3.14 H new ATOM 0 HG3 ARG A 24 11.466 9.926 4.534 1.00 3.14 H new ATOM 0 HD2 ARG A 24 10.915 8.239 2.495 1.00 64.34 H new ATOM 0 HD3 ARG A 24 9.385 8.133 3.342 1.00 64.34 H new ATOM 0 HE ARG A 24 8.856 10.267 2.607 1.00 45.52 H new ATOM 0 HH11 ARG A 24 12.348 9.775 2.448 1.00 5.13 H new ATOM 0 HH12 ARG A 24 12.646 11.322 1.649 1.00 5.13 H new ATOM 0 HH21 ARG A 24 9.247 12.252 1.578 1.00 3.25 H new ATOM 0 HH22 ARG A 24 10.898 12.719 1.158 1.00 3.25 H new ATOM 401 N GLU A 25 9.527 5.221 4.648 1.00 53.31 N ATOM 402 CA GLU A 25 8.663 4.501 3.720 1.00 42.15 C ATOM 403 C GLU A 25 7.521 5.391 3.237 1.00 45.03 C ATOM 404 O GLU A 25 7.183 6.386 3.875 1.00 11.45 O ATOM 405 CB GLU A 25 8.098 3.244 4.384 1.00 24.12 C ATOM 406 CG GLU A 25 6.856 3.503 5.220 1.00 42.01 C ATOM 407 CD GLU A 25 7.093 4.523 6.316 1.00 1.43 C ATOM 408 OE1 GLU A 25 8.093 4.385 7.051 1.00 63.43 O ATOM 409 OE2 GLU A 25 6.277 5.461 6.439 1.00 4.23 O ATOM 0 H GLU A 25 9.219 5.192 5.620 1.00 53.31 H new ATOM 0 HA GLU A 25 9.263 4.209 2.858 1.00 42.15 H new ATOM 0 HB2 GLU A 25 7.860 2.512 3.613 1.00 24.12 H new ATOM 0 HB3 GLU A 25 8.866 2.801 5.018 1.00 24.12 H new ATOM 0 HG2 GLU A 25 6.052 3.852 4.572 1.00 42.01 H new ATOM 0 HG3 GLU A 25 6.521 2.567 5.666 1.00 42.01 H new ATOM 416 N GLY A 26 6.932 5.024 2.103 1.00 53.33 N ATOM 417 CA GLY A 26 5.835 5.799 1.552 1.00 3.44 C ATOM 418 C GLY A 26 4.940 4.976 0.647 1.00 2.24 C ATOM 419 O GLY A 26 5.418 4.117 -0.092 1.00 60.43 O ATOM 0 H GLY A 26 7.195 4.204 1.556 1.00 53.33 H new ATOM 0 HA2 GLY A 26 5.241 6.212 2.367 1.00 3.44 H new ATOM 0 HA3 GLY A 26 6.236 6.643 0.991 1.00 3.44 H new ATOM 423 N GLN A 27 3.639 5.239 0.707 1.00 33.44 N ATOM 424 CA GLN A 27 2.675 4.513 -0.112 1.00 1.11 C ATOM 425 C GLN A 27 1.977 5.451 -1.091 1.00 44.51 C ATOM 426 O GLN A 27 0.749 5.542 -1.111 1.00 43.11 O ATOM 427 CB GLN A 27 1.639 3.820 0.775 1.00 41.21 C ATOM 428 CG GLN A 27 2.229 2.747 1.675 1.00 24.21 C ATOM 429 CD GLN A 27 1.286 2.336 2.789 1.00 65.33 C ATOM 430 OE1 GLN A 27 0.453 1.446 2.615 1.00 20.02 O ATOM 431 NE2 GLN A 27 1.413 2.983 3.941 1.00 23.33 N ATOM 0 H GLN A 27 3.228 5.949 1.313 1.00 33.44 H new ATOM 0 HA GLN A 27 3.217 3.759 -0.683 1.00 1.11 H new ATOM 0 HB2 GLN A 27 1.143 4.569 1.393 1.00 41.21 H new ATOM 0 HB3 GLN A 27 0.873 3.371 0.142 1.00 41.21 H new ATOM 0 HG2 GLN A 27 2.479 1.872 1.075 1.00 24.21 H new ATOM 0 HG3 GLN A 27 3.160 3.113 2.109 1.00 24.21 H new ATOM 0 HE21 GLN A 27 2.117 3.714 4.040 1.00 23.33 H new ATOM 0 HE22 GLN A 27 0.806 2.749 4.727 1.00 23.33 H new ATOM 440 N CYS A 28 2.768 6.147 -1.901 1.00 13.43 N ATOM 441 CA CYS A 28 2.226 7.080 -2.882 1.00 54.42 C ATOM 442 C CYS A 28 2.609 6.664 -4.298 1.00 64.33 C ATOM 443 O CYS A 28 1.814 6.789 -5.229 1.00 2.11 O ATOM 444 CB CYS A 28 2.727 8.498 -2.601 1.00 24.51 C ATOM 445 SG CYS A 28 4.519 8.617 -2.386 1.00 14.31 S ATOM 0 H CYS A 28 3.786 6.083 -1.897 1.00 13.43 H new ATOM 0 HA CYS A 28 1.139 7.064 -2.799 1.00 54.42 H new ATOM 0 HB2 CYS A 28 2.426 9.148 -3.423 1.00 24.51 H new ATOM 0 HB3 CYS A 28 2.238 8.873 -1.702 1.00 24.51 H new ATOM 0 HG CYS A 28 4.847 9.854 -2.155 1.00 14.31 H new ATOM 451 N GLU A 29 3.834 6.169 -4.453 1.00 13.41 N ATOM 452 CA GLU A 29 4.323 5.737 -5.757 1.00 21.13 C ATOM 453 C GLU A 29 5.476 4.748 -5.605 1.00 13.44 C ATOM 454 O GLU A 29 5.968 4.518 -4.500 1.00 45.22 O ATOM 455 CB GLU A 29 4.777 6.943 -6.582 1.00 13.13 C ATOM 456 CG GLU A 29 5.927 7.712 -5.954 1.00 21.01 C ATOM 457 CD GLU A 29 5.927 9.179 -6.339 1.00 25.31 C ATOM 458 OE1 GLU A 29 5.194 9.960 -5.697 1.00 62.03 O ATOM 459 OE2 GLU A 29 6.660 9.545 -7.281 1.00 41.13 O ATOM 0 H GLU A 29 4.505 6.058 -3.692 1.00 13.41 H new ATOM 0 HA GLU A 29 3.505 5.238 -6.276 1.00 21.13 H new ATOM 0 HB2 GLU A 29 5.077 6.602 -7.573 1.00 13.13 H new ATOM 0 HB3 GLU A 29 3.932 7.618 -6.719 1.00 13.13 H new ATOM 0 HG2 GLU A 29 5.868 7.625 -4.869 1.00 21.01 H new ATOM 0 HG3 GLU A 29 6.871 7.260 -6.259 1.00 21.01 H new ATOM 466 N ASP A 30 5.900 4.167 -6.721 1.00 74.03 N ATOM 467 CA ASP A 30 6.994 3.203 -6.714 1.00 2.44 C ATOM 468 C ASP A 30 8.336 3.907 -6.533 1.00 71.44 C ATOM 469 O ASP A 30 8.696 4.787 -7.314 1.00 21.41 O ATOM 470 CB ASP A 30 6.999 2.394 -8.011 1.00 53.24 C ATOM 471 CG ASP A 30 5.765 1.525 -8.156 1.00 51.11 C ATOM 472 OD1 ASP A 30 5.101 1.261 -7.131 1.00 41.35 O ATOM 473 OD2 ASP A 30 5.463 1.109 -9.294 1.00 14.40 O ATOM 0 H ASP A 30 5.503 4.347 -7.643 1.00 74.03 H new ATOM 0 HA ASP A 30 6.843 2.525 -5.874 1.00 2.44 H new ATOM 0 HB2 ASP A 30 7.062 3.075 -8.860 1.00 53.24 H new ATOM 0 HB3 ASP A 30 7.888 1.765 -8.040 1.00 53.24 H new ATOM 478 N ASN A 31 9.071 3.512 -5.498 1.00 54.43 N ATOM 479 CA ASN A 31 10.372 4.106 -5.215 1.00 0.35 C ATOM 480 C ASN A 31 11.261 3.129 -4.452 1.00 22.03 C ATOM 481 O ASN A 31 10.837 2.025 -4.111 1.00 21.35 O ATOM 482 CB ASN A 31 10.203 5.395 -4.408 1.00 13.41 C ATOM 483 CG ASN A 31 11.310 6.396 -4.677 1.00 62.34 C ATOM 484 OD1 ASN A 31 12.250 6.113 -5.420 1.00 24.50 O ATOM 485 ND2 ASN A 31 11.203 7.573 -4.073 1.00 5.31 N ATOM 0 H ASN A 31 8.788 2.784 -4.842 1.00 54.43 H new ATOM 0 HA ASN A 31 10.851 4.340 -6.166 1.00 0.35 H new ATOM 0 HB2 ASN A 31 9.241 5.848 -4.649 1.00 13.41 H new ATOM 0 HB3 ASN A 31 10.185 5.155 -3.345 1.00 13.41 H new ATOM 0 HD21 ASN A 31 11.918 8.287 -4.216 1.00 5.31 H new ATOM 0 HD22 ASN A 31 10.406 7.764 -3.465 1.00 5.31 H new ATOM 492 N ARG A 32 12.496 3.544 -4.187 1.00 72.40 N ATOM 493 CA ARG A 32 13.445 2.705 -3.465 1.00 41.01 C ATOM 494 C ARG A 32 13.504 3.095 -1.991 1.00 51.42 C ATOM 495 O ARG A 32 13.106 4.198 -1.614 1.00 22.33 O ATOM 496 CB ARG A 32 14.837 2.819 -4.090 1.00 12.11 C ATOM 497 CG ARG A 32 14.875 2.450 -5.564 1.00 13.50 C ATOM 498 CD ARG A 32 16.125 2.989 -6.241 1.00 3.21 C ATOM 499 NE ARG A 32 16.091 4.443 -6.378 1.00 34.22 N ATOM 500 CZ ARG A 32 16.863 5.120 -7.220 1.00 0.44 C ATOM 501 NH1 ARG A 32 17.726 4.479 -7.996 1.00 34.13 N ATOM 502 NH2 ARG A 32 16.773 6.443 -7.287 1.00 22.43 N ATOM 0 H ARG A 32 12.862 4.456 -4.461 1.00 72.40 H new ATOM 0 HA ARG A 32 13.106 1.672 -3.536 1.00 41.01 H new ATOM 0 HB2 ARG A 32 15.197 3.841 -3.971 1.00 12.11 H new ATOM 0 HB3 ARG A 32 15.525 2.173 -3.545 1.00 12.11 H new ATOM 0 HG2 ARG A 32 14.841 1.366 -5.670 1.00 13.50 H new ATOM 0 HG3 ARG A 32 13.990 2.846 -6.062 1.00 13.50 H new ATOM 0 HD2 ARG A 32 17.003 2.700 -5.663 1.00 3.21 H new ATOM 0 HD3 ARG A 32 16.228 2.535 -7.226 1.00 3.21 H new ATOM 0 HE ARG A 32 15.438 4.967 -5.795 1.00 34.22 H new ATOM 0 HH11 ARG A 32 17.798 3.463 -7.947 1.00 34.13 H new ATOM 0 HH12 ARG A 32 18.317 5.002 -8.642 1.00 34.13 H new ATOM 0 HH21 ARG A 32 16.111 6.940 -6.691 1.00 22.43 H new ATOM 0 HH22 ARG A 32 17.366 6.962 -7.934 1.00 22.43 H new ATOM 516 N PHE A 33 14.002 2.184 -1.162 1.00 62.24 N ATOM 517 CA PHE A 33 14.112 2.432 0.270 1.00 32.24 C ATOM 518 C PHE A 33 15.166 3.496 0.559 1.00 3.20 C ATOM 519 O PHE A 33 16.272 3.453 0.019 1.00 1.14 O ATOM 520 CB PHE A 33 14.462 1.138 1.008 1.00 32.21 C ATOM 521 CG PHE A 33 13.405 0.077 0.892 1.00 13.14 C ATOM 522 CD1 PHE A 33 12.187 0.221 1.537 1.00 13.11 C ATOM 523 CD2 PHE A 33 13.629 -1.064 0.139 1.00 53.44 C ATOM 524 CE1 PHE A 33 11.213 -0.754 1.433 1.00 53.12 C ATOM 525 CE2 PHE A 33 12.658 -2.042 0.030 1.00 2.13 C ATOM 526 CZ PHE A 33 11.448 -1.886 0.678 1.00 62.14 C ATOM 0 H PHE A 33 14.336 1.267 -1.458 1.00 62.24 H new ATOM 0 HA PHE A 33 13.148 2.795 0.625 1.00 32.24 H new ATOM 0 HB2 PHE A 33 15.401 0.748 0.616 1.00 32.21 H new ATOM 0 HB3 PHE A 33 14.625 1.363 2.062 1.00 32.21 H new ATOM 0 HD1 PHE A 33 11.997 1.105 2.128 1.00 13.11 H new ATOM 0 HD2 PHE A 33 14.574 -1.191 -0.369 1.00 53.44 H new ATOM 0 HE1 PHE A 33 10.269 -0.631 1.942 1.00 53.12 H new ATOM 0 HE2 PHE A 33 12.845 -2.927 -0.561 1.00 2.13 H new ATOM 0 HZ PHE A 33 10.687 -2.648 0.594 1.00 62.14 H new ATOM 536 N PHE A 34 14.816 4.452 1.413 1.00 35.45 N ATOM 537 CA PHE A 34 15.730 5.529 1.773 1.00 21.15 C ATOM 538 C PHE A 34 16.370 5.267 3.134 1.00 53.40 C ATOM 539 O PHE A 34 15.676 5.113 4.139 1.00 30.33 O ATOM 540 CB PHE A 34 14.991 6.869 1.794 1.00 62.53 C ATOM 541 CG PHE A 34 15.060 7.611 0.490 1.00 60.22 C ATOM 542 CD1 PHE A 34 16.283 7.898 -0.095 1.00 52.21 C ATOM 543 CD2 PHE A 34 13.902 8.021 -0.151 1.00 61.22 C ATOM 544 CE1 PHE A 34 16.349 8.582 -1.294 1.00 71.15 C ATOM 545 CE2 PHE A 34 13.962 8.704 -1.351 1.00 50.41 C ATOM 546 CZ PHE A 34 15.187 8.984 -1.924 1.00 1.32 C ATOM 0 H PHE A 34 13.905 4.503 1.869 1.00 35.45 H new ATOM 0 HA PHE A 34 16.518 5.569 1.021 1.00 21.15 H new ATOM 0 HB2 PHE A 34 13.946 6.695 2.049 1.00 62.53 H new ATOM 0 HB3 PHE A 34 15.411 7.494 2.582 1.00 62.53 H new ATOM 0 HD1 PHE A 34 17.195 7.584 0.391 1.00 52.21 H new ATOM 0 HD2 PHE A 34 12.941 7.804 0.292 1.00 61.22 H new ATOM 0 HE1 PHE A 34 17.308 8.802 -1.738 1.00 71.15 H new ATOM 0 HE2 PHE A 34 13.052 9.018 -1.840 1.00 50.41 H new ATOM 0 HZ PHE A 34 15.236 9.516 -2.863 1.00 1.32 H new ATOM 556 N PHE A 35 17.698 5.219 3.157 1.00 35.03 N ATOM 557 CA PHE A 35 18.432 4.975 4.393 1.00 20.32 C ATOM 558 C PHE A 35 19.225 6.211 4.808 1.00 61.41 C ATOM 559 O PHE A 35 19.886 6.842 3.984 1.00 43.43 O ATOM 560 CB PHE A 35 19.376 3.782 4.223 1.00 11.53 C ATOM 561 CG PHE A 35 18.700 2.453 4.402 1.00 64.12 C ATOM 562 CD1 PHE A 35 17.578 2.126 3.659 1.00 55.12 C ATOM 563 CD2 PHE A 35 19.188 1.530 5.313 1.00 1.00 C ATOM 564 CE1 PHE A 35 16.954 0.903 3.820 1.00 13.33 C ATOM 565 CE2 PHE A 35 18.569 0.306 5.478 1.00 32.45 C ATOM 566 CZ PHE A 35 17.450 -0.008 4.732 1.00 15.32 C ATOM 0 H PHE A 35 18.287 5.346 2.334 1.00 35.03 H new ATOM 0 HA PHE A 35 17.709 4.749 5.177 1.00 20.32 H new ATOM 0 HB2 PHE A 35 19.824 3.822 3.230 1.00 11.53 H new ATOM 0 HB3 PHE A 35 20.189 3.867 4.944 1.00 11.53 H new ATOM 0 HD1 PHE A 35 17.186 2.835 2.945 1.00 55.12 H new ATOM 0 HD2 PHE A 35 20.062 1.770 5.901 1.00 1.00 H new ATOM 0 HE1 PHE A 35 16.080 0.660 3.234 1.00 13.33 H new ATOM 0 HE2 PHE A 35 18.960 -0.405 6.190 1.00 32.45 H new ATOM 0 HZ PHE A 35 16.964 -0.964 4.861 1.00 15.32 H new ATOM 576 N ASP A 36 19.153 6.549 6.090 1.00 1.34 N ATOM 577 CA ASP A 36 19.864 7.709 6.616 1.00 60.00 C ATOM 578 C ASP A 36 21.063 7.277 7.455 1.00 53.20 C ATOM 579 O ASP A 36 20.904 6.691 8.527 1.00 50.24 O ATOM 580 CB ASP A 36 18.923 8.573 7.456 1.00 14.50 C ATOM 581 CG ASP A 36 19.655 9.675 8.197 1.00 54.45 C ATOM 582 OD1 ASP A 36 20.441 10.402 7.553 1.00 14.42 O ATOM 583 OD2 ASP A 36 19.441 9.811 9.419 1.00 11.42 O ATOM 0 H ASP A 36 18.610 6.037 6.785 1.00 1.34 H new ATOM 0 HA ASP A 36 20.226 8.296 5.772 1.00 60.00 H new ATOM 0 HB2 ASP A 36 18.166 9.015 6.809 1.00 14.50 H new ATOM 0 HB3 ASP A 36 18.399 7.942 8.174 1.00 14.50 H new ATOM 588 N CYS A 37 22.260 7.569 6.960 1.00 4.34 N ATOM 589 CA CYS A 37 23.487 7.210 7.664 1.00 74.53 C ATOM 590 C CYS A 37 24.136 8.440 8.288 1.00 3.11 C ATOM 591 O CYS A 37 24.727 9.266 7.590 1.00 74.41 O ATOM 592 CB CYS A 37 24.467 6.530 6.707 1.00 43.11 C ATOM 593 SG CYS A 37 23.846 4.996 5.979 1.00 32.14 S ATOM 0 H CYS A 37 22.408 8.053 6.074 1.00 4.34 H new ATOM 0 HA CYS A 37 23.229 6.515 8.463 1.00 74.53 H new ATOM 0 HB2 CYS A 37 24.716 7.225 5.905 1.00 43.11 H new ATOM 0 HB3 CYS A 37 25.392 6.317 7.243 1.00 43.11 H new ATOM 0 HG CYS A 37 24.016 5.027 4.690 1.00 32.14 H new ATOM 599 N LEU A 38 24.023 8.558 9.606 1.00 35.13 N ATOM 600 CA LEU A 38 24.598 9.689 10.326 1.00 54.22 C ATOM 601 C LEU A 38 25.776 9.245 11.187 1.00 73.03 C ATOM 602 O LEU A 38 25.606 8.888 12.352 1.00 11.42 O ATOM 603 CB LEU A 38 23.535 10.356 11.201 1.00 74.02 C ATOM 604 CG LEU A 38 22.237 10.753 10.496 1.00 45.55 C ATOM 605 CD1 LEU A 38 21.351 11.566 11.426 1.00 2.44 C ATOM 606 CD2 LEU A 38 22.539 11.536 9.225 1.00 20.54 C ATOM 0 H LEU A 38 23.538 7.884 10.198 1.00 35.13 H new ATOM 0 HA LEU A 38 24.960 10.409 9.592 1.00 54.22 H new ATOM 0 HB2 LEU A 38 23.288 9.678 12.018 1.00 74.02 H new ATOM 0 HB3 LEU A 38 23.970 11.250 11.648 1.00 74.02 H new ATOM 0 HG LEU A 38 21.702 9.844 10.222 1.00 45.55 H new ATOM 0 HD11 LEU A 38 20.432 11.839 10.907 1.00 2.44 H new ATOM 0 HD12 LEU A 38 21.107 10.973 12.307 1.00 2.44 H new ATOM 0 HD13 LEU A 38 21.877 12.470 11.732 1.00 2.44 H new ATOM 0 HD21 LEU A 38 21.604 11.810 8.736 1.00 20.54 H new ATOM 0 HD22 LEU A 38 23.095 12.439 9.477 1.00 20.54 H new ATOM 0 HD23 LEU A 38 23.134 10.920 8.551 1.00 20.54 H new ATOM 618 N ALA A 39 26.970 9.271 10.605 1.00 43.32 N ATOM 619 CA ALA A 39 28.177 8.876 11.320 1.00 62.41 C ATOM 620 C ALA A 39 28.788 10.059 12.063 1.00 31.22 C ATOM 621 O ALA A 39 28.968 10.014 13.280 1.00 10.42 O ATOM 622 CB ALA A 39 29.190 8.276 10.355 1.00 13.40 C ATOM 0 H ALA A 39 27.127 9.562 9.640 1.00 43.32 H new ATOM 0 HA ALA A 39 27.902 8.121 12.057 1.00 62.41 H new ATOM 0 HB1 ALA A 39 30.086 7.986 10.903 1.00 13.40 H new ATOM 0 HB2 ALA A 39 28.758 7.398 9.874 1.00 13.40 H new ATOM 0 HB3 ALA A 39 29.451 9.014 9.597 1.00 13.40 H new ATOM 628 N VAL A 40 29.105 11.116 11.323 1.00 5.53 N ATOM 629 CA VAL A 40 29.696 12.312 11.913 1.00 51.34 C ATOM 630 C VAL A 40 29.083 13.577 11.321 1.00 34.53 C ATOM 631 O VAL A 40 28.505 13.549 10.234 1.00 71.41 O ATOM 632 CB VAL A 40 31.221 12.348 11.701 1.00 22.44 C ATOM 633 CG1 VAL A 40 31.919 11.424 12.689 1.00 54.33 C ATOM 634 CG2 VAL A 40 31.569 11.971 10.269 1.00 22.13 C ATOM 0 H VAL A 40 28.963 11.169 10.314 1.00 5.53 H new ATOM 0 HA VAL A 40 29.486 12.274 12.982 1.00 51.34 H new ATOM 0 HB VAL A 40 31.572 13.364 11.880 1.00 22.44 H new ATOM 0 HG11 VAL A 40 32.996 11.462 12.525 1.00 54.33 H new ATOM 0 HG12 VAL A 40 31.696 11.744 13.707 1.00 54.33 H new ATOM 0 HG13 VAL A 40 31.566 10.403 12.544 1.00 54.33 H new ATOM 0 HG21 VAL A 40 32.651 12.002 10.137 1.00 22.13 H new ATOM 0 HG22 VAL A 40 31.206 10.965 10.059 1.00 22.13 H new ATOM 0 HG23 VAL A 40 31.100 12.676 9.583 1.00 22.13 H new ATOM 644 N CYS A 41 29.212 14.684 12.044 1.00 62.34 N ATOM 645 CA CYS A 41 28.670 15.960 11.591 1.00 61.03 C ATOM 646 C CYS A 41 29.630 16.646 10.623 1.00 34.45 C ATOM 647 O CYS A 41 30.846 16.477 10.715 1.00 53.03 O ATOM 648 CB CYS A 41 28.393 16.873 12.786 1.00 73.11 C ATOM 649 SG CYS A 41 29.854 17.248 13.783 1.00 53.32 S ATOM 0 H CYS A 41 29.687 14.724 12.946 1.00 62.34 H new ATOM 0 HA CYS A 41 27.734 15.764 11.068 1.00 61.03 H new ATOM 0 HB2 CYS A 41 27.964 17.807 12.424 1.00 73.11 H new ATOM 0 HB3 CYS A 41 27.643 16.403 13.422 1.00 73.11 H new ATOM 0 HG CYS A 41 29.519 18.028 14.768 1.00 53.32 H new ATOM 655 N VAL A 42 29.074 17.419 9.696 1.00 63.34 N ATOM 656 CA VAL A 42 29.880 18.130 8.710 1.00 23.34 C ATOM 657 C VAL A 42 30.475 19.403 9.302 1.00 31.42 C ATOM 658 O VAL A 42 31.606 19.774 8.992 1.00 20.22 O ATOM 659 CB VAL A 42 29.051 18.494 7.465 1.00 42.43 C ATOM 660 CG1 VAL A 42 29.915 19.215 6.440 1.00 33.15 C ATOM 661 CG2 VAL A 42 28.421 17.248 6.861 1.00 42.41 C ATOM 0 H VAL A 42 28.069 17.569 9.607 1.00 63.34 H new ATOM 0 HA VAL A 42 30.686 17.458 8.416 1.00 23.34 H new ATOM 0 HB VAL A 42 28.250 19.168 7.768 1.00 42.43 H new ATOM 0 HG11 VAL A 42 29.312 19.464 5.567 1.00 33.15 H new ATOM 0 HG12 VAL A 42 30.314 20.130 6.879 1.00 33.15 H new ATOM 0 HG13 VAL A 42 30.739 18.568 6.139 1.00 33.15 H new ATOM 0 HG21 VAL A 42 27.839 17.524 5.982 1.00 42.41 H new ATOM 0 HG22 VAL A 42 29.205 16.548 6.572 1.00 42.41 H new ATOM 0 HG23 VAL A 42 27.768 16.778 7.596 1.00 42.41 H new ATOM 671 N ASN A 43 29.704 20.067 10.157 1.00 41.51 N ATOM 672 CA ASN A 43 30.155 21.300 10.793 1.00 14.00 C ATOM 673 C ASN A 43 29.100 21.831 11.759 1.00 32.31 C ATOM 674 O ASN A 43 27.910 21.551 11.611 1.00 21.34 O ATOM 675 CB ASN A 43 30.471 22.358 9.735 1.00 45.54 C ATOM 676 CG ASN A 43 29.526 22.294 8.551 1.00 74.20 C ATOM 677 OD1 ASN A 43 29.949 22.083 7.414 1.00 3.15 O ATOM 678 ND2 ASN A 43 28.237 22.476 8.813 1.00 34.53 N ATOM 0 H ASN A 43 28.765 19.773 10.425 1.00 41.51 H new ATOM 0 HA ASN A 43 31.061 21.078 11.357 1.00 14.00 H new ATOM 0 HB2 ASN A 43 30.415 23.348 10.188 1.00 45.54 H new ATOM 0 HB3 ASN A 43 31.495 22.224 9.386 1.00 45.54 H new ATOM 0 HD21 ASN A 43 27.553 22.444 8.057 1.00 34.53 H new ATOM 0 HD22 ASN A 43 27.931 22.648 9.771 1.00 34.53 H new ATOM 685 N VAL A 44 29.544 22.599 12.748 1.00 3.24 N ATOM 686 CA VAL A 44 28.639 23.171 13.738 1.00 22.02 C ATOM 687 C VAL A 44 28.639 24.694 13.668 1.00 71.14 C ATOM 688 O VAL A 44 27.791 25.354 14.268 1.00 1.44 O ATOM 689 CB VAL A 44 29.020 22.734 15.165 1.00 12.24 C ATOM 690 CG1 VAL A 44 28.636 21.281 15.400 1.00 51.25 C ATOM 691 CG2 VAL A 44 30.506 22.947 15.409 1.00 42.43 C ATOM 0 H VAL A 44 30.526 22.840 12.885 1.00 3.24 H new ATOM 0 HA VAL A 44 27.641 22.800 13.506 1.00 22.02 H new ATOM 0 HB VAL A 44 28.467 23.350 15.874 1.00 12.24 H new ATOM 0 HG11 VAL A 44 28.913 20.991 16.413 1.00 51.25 H new ATOM 0 HG12 VAL A 44 27.560 21.163 15.270 1.00 51.25 H new ATOM 0 HG13 VAL A 44 29.159 20.646 14.685 1.00 51.25 H new ATOM 0 HG21 VAL A 44 30.757 22.633 16.422 1.00 42.43 H new ATOM 0 HG22 VAL A 44 31.080 22.358 14.694 1.00 42.43 H new ATOM 0 HG23 VAL A 44 30.747 24.003 15.286 1.00 42.43 H new ATOM 701 N LYS A 45 29.595 25.247 12.929 1.00 21.41 N ATOM 702 CA LYS A 45 29.706 26.693 12.777 1.00 32.50 C ATOM 703 C LYS A 45 28.373 27.298 12.348 1.00 0.03 C ATOM 704 O LYS A 45 27.811 28.162 13.021 1.00 4.54 O ATOM 705 CB LYS A 45 30.788 27.037 11.751 1.00 20.23 C ATOM 706 CG LYS A 45 32.097 27.488 12.376 1.00 13.32 C ATOM 707 CD LYS A 45 33.278 27.206 11.462 1.00 15.24 C ATOM 708 CE LYS A 45 33.604 28.407 10.587 1.00 23.52 C ATOM 709 NZ LYS A 45 34.742 28.129 9.667 1.00 74.20 N ATOM 0 H LYS A 45 30.305 24.715 12.425 1.00 21.41 H new ATOM 0 HA LYS A 45 29.983 27.115 13.743 1.00 32.50 H new ATOM 0 HB2 LYS A 45 30.975 26.164 11.126 1.00 20.23 H new ATOM 0 HB3 LYS A 45 30.418 27.825 11.095 1.00 20.23 H new ATOM 0 HG2 LYS A 45 32.049 28.555 12.592 1.00 13.32 H new ATOM 0 HG3 LYS A 45 32.242 26.977 13.328 1.00 13.32 H new ATOM 0 HD2 LYS A 45 34.150 26.944 12.062 1.00 15.24 H new ATOM 0 HD3 LYS A 45 33.055 26.345 10.832 1.00 15.24 H new ATOM 0 HE2 LYS A 45 32.725 28.682 10.005 1.00 23.52 H new ATOM 0 HE3 LYS A 45 33.848 29.261 11.219 1.00 23.52 H new ATOM 0 HZ1 LYS A 45 34.934 28.971 9.088 1.00 74.20 H new ATOM 0 HZ2 LYS A 45 35.588 27.892 10.223 1.00 74.20 H new ATOM 0 HZ3 LYS A 45 34.500 27.330 9.047 1.00 74.20 H new ATOM 723 N PRO A 46 27.853 26.834 11.202 1.00 13.33 N ATOM 724 CA PRO A 46 26.579 27.315 10.660 1.00 53.24 C ATOM 725 C PRO A 46 25.386 26.867 11.497 1.00 73.20 C ATOM 726 O PRO A 46 25.479 25.910 12.265 1.00 3.24 O ATOM 727 CB PRO A 46 26.524 26.680 9.268 1.00 52.42 C ATOM 728 CG PRO A 46 27.375 25.463 9.373 1.00 65.30 C ATOM 729 CD PRO A 46 28.468 25.804 10.348 1.00 13.24 C ATOM 0 HA PRO A 46 26.526 28.404 10.650 1.00 53.24 H new ATOM 0 HB2 PRO A 46 25.502 26.425 8.989 1.00 52.42 H new ATOM 0 HB3 PRO A 46 26.901 27.362 8.506 1.00 52.42 H new ATOM 0 HG2 PRO A 46 26.794 24.609 9.722 1.00 65.30 H new ATOM 0 HG3 PRO A 46 27.789 25.192 8.402 1.00 65.30 H new ATOM 0 HD2 PRO A 46 28.776 24.933 10.927 1.00 13.24 H new ATOM 0 HD3 PRO A 46 29.356 26.180 9.841 1.00 13.24 H new ATOM 737 N ALA A 47 24.265 27.564 11.343 1.00 51.04 N ATOM 738 CA ALA A 47 23.053 27.236 12.083 1.00 71.41 C ATOM 739 C ALA A 47 22.704 25.758 11.937 1.00 54.53 C ATOM 740 O ALA A 47 23.151 25.078 11.013 1.00 50.51 O ATOM 741 CB ALA A 47 21.895 28.103 11.611 1.00 21.14 C ATOM 0 H ALA A 47 24.171 28.360 10.712 1.00 51.04 H new ATOM 0 HA ALA A 47 23.236 27.437 13.139 1.00 71.41 H new ATOM 0 HB1 ALA A 47 20.996 27.847 12.172 1.00 21.14 H new ATOM 0 HB2 ALA A 47 22.137 29.153 11.773 1.00 21.14 H new ATOM 0 HB3 ALA A 47 21.721 27.931 10.549 1.00 21.14 H new ATOM 747 N PRO A 48 21.886 25.248 12.869 1.00 32.12 N ATOM 748 CA PRO A 48 21.459 23.846 12.865 1.00 33.44 C ATOM 749 C PRO A 48 20.505 23.533 11.717 1.00 11.24 C ATOM 750 O PRO A 48 20.478 22.413 11.208 1.00 4.24 O ATOM 751 CB PRO A 48 20.746 23.688 14.211 1.00 52.22 C ATOM 752 CG PRO A 48 20.281 25.061 14.556 1.00 22.11 C ATOM 753 CD PRO A 48 21.315 26.000 13.999 1.00 54.33 C ATOM 0 HA PRO A 48 22.299 23.165 12.730 1.00 33.44 H new ATOM 0 HB2 PRO A 48 19.909 22.993 14.137 1.00 52.22 H new ATOM 0 HB3 PRO A 48 21.420 23.295 14.972 1.00 52.22 H new ATOM 0 HG2 PRO A 48 19.300 25.261 14.125 1.00 22.11 H new ATOM 0 HG3 PRO A 48 20.186 25.181 15.635 1.00 22.11 H new ATOM 0 HD2 PRO A 48 20.870 26.940 13.672 1.00 54.33 H new ATOM 0 HD3 PRO A 48 22.074 26.248 14.741 1.00 54.33 H new ATOM 761 N GLU A 49 19.724 24.531 11.315 1.00 72.32 N ATOM 762 CA GLU A 49 18.768 24.360 10.227 1.00 44.55 C ATOM 763 C GLU A 49 19.486 24.053 8.915 1.00 1.43 C ATOM 764 O GLU A 49 18.920 23.434 8.014 1.00 22.34 O ATOM 765 CB GLU A 49 17.911 25.618 10.069 1.00 4.31 C ATOM 766 CG GLU A 49 18.682 26.818 9.542 1.00 34.55 C ATOM 767 CD GLU A 49 18.106 28.136 10.021 1.00 5.33 C ATOM 768 OE1 GLU A 49 18.190 28.415 11.236 1.00 72.33 O ATOM 769 OE2 GLU A 49 17.573 28.890 9.181 1.00 50.34 O ATOM 0 H GLU A 49 19.734 25.465 11.726 1.00 72.32 H new ATOM 0 HA GLU A 49 18.122 23.517 10.474 1.00 44.55 H new ATOM 0 HB2 GLU A 49 17.085 25.402 9.392 1.00 4.31 H new ATOM 0 HB3 GLU A 49 17.474 25.873 11.034 1.00 4.31 H new ATOM 0 HG2 GLU A 49 19.723 26.744 9.858 1.00 34.55 H new ATOM 0 HG3 GLU A 49 18.678 26.798 8.452 1.00 34.55 H new ATOM 776 N LYS A 50 20.736 24.492 8.815 1.00 4.04 N ATOM 777 CA LYS A 50 21.534 24.265 7.616 1.00 31.21 C ATOM 778 C LYS A 50 22.668 23.283 7.895 1.00 51.54 C ATOM 779 O LYS A 50 23.626 23.193 7.127 1.00 52.15 O ATOM 780 CB LYS A 50 22.105 25.588 7.100 1.00 20.43 C ATOM 781 CG LYS A 50 21.045 26.556 6.606 1.00 53.31 C ATOM 782 CD LYS A 50 21.496 28.000 6.752 1.00 25.30 C ATOM 783 CE LYS A 50 22.341 28.442 5.567 1.00 53.22 C ATOM 784 NZ LYS A 50 21.554 28.463 4.302 1.00 22.15 N ATOM 0 H LYS A 50 21.219 25.008 9.551 1.00 4.04 H new ATOM 0 HA LYS A 50 20.885 23.835 6.853 1.00 31.21 H new ATOM 0 HB2 LYS A 50 22.676 26.063 7.898 1.00 20.43 H new ATOM 0 HB3 LYS A 50 22.803 25.381 6.288 1.00 20.43 H new ATOM 0 HG2 LYS A 50 20.821 26.348 5.560 1.00 53.31 H new ATOM 0 HG3 LYS A 50 20.123 26.404 7.166 1.00 53.31 H new ATOM 0 HD2 LYS A 50 20.624 28.648 6.840 1.00 25.30 H new ATOM 0 HD3 LYS A 50 22.070 28.112 7.672 1.00 25.30 H new ATOM 0 HE2 LYS A 50 22.745 29.436 5.760 1.00 53.22 H new ATOM 0 HE3 LYS A 50 23.191 27.768 5.455 1.00 53.22 H new ATOM 0 HZ1 LYS A 50 21.995 29.123 3.630 1.00 22.15 H new ATOM 0 HZ2 LYS A 50 21.535 27.509 3.889 1.00 22.15 H new ATOM 0 HZ3 LYS A 50 20.582 28.772 4.503 1.00 22.15 H new ATOM 798 N ARG A 51 22.552 22.550 8.997 1.00 61.34 N ATOM 799 CA ARG A 51 23.568 21.575 9.376 1.00 73.24 C ATOM 800 C ARG A 51 23.524 20.358 8.455 1.00 1.43 C ATOM 801 O ARG A 51 22.476 20.022 7.906 1.00 51.14 O ATOM 802 CB ARG A 51 23.368 21.137 10.828 1.00 72.44 C ATOM 803 CG ARG A 51 24.602 20.503 11.448 1.00 4.31 C ATOM 804 CD ARG A 51 24.478 20.405 12.960 1.00 13.05 C ATOM 805 NE ARG A 51 24.570 21.713 13.603 1.00 1.05 N ATOM 806 CZ ARG A 51 24.617 21.883 14.920 1.00 11.11 C ATOM 807 NH1 ARG A 51 24.580 20.833 15.729 1.00 5.31 N ATOM 808 NH2 ARG A 51 24.701 23.105 15.430 1.00 52.32 N ATOM 0 H ARG A 51 21.765 22.612 9.643 1.00 61.34 H new ATOM 0 HA ARG A 51 24.545 22.048 9.278 1.00 73.24 H new ATOM 0 HB2 ARG A 51 23.077 22.003 11.423 1.00 72.44 H new ATOM 0 HB3 ARG A 51 22.543 20.426 10.874 1.00 72.44 H new ATOM 0 HG2 ARG A 51 24.751 19.508 11.029 1.00 4.31 H new ATOM 0 HG3 ARG A 51 25.483 21.092 11.191 1.00 4.31 H new ATOM 0 HD2 ARG A 51 23.525 19.941 13.216 1.00 13.05 H new ATOM 0 HD3 ARG A 51 25.263 19.755 13.347 1.00 13.05 H new ATOM 0 HE ARG A 51 24.600 22.541 13.009 1.00 1.05 H new ATOM 0 HH11 ARG A 51 24.515 19.892 15.341 1.00 5.31 H new ATOM 0 HH12 ARG A 51 24.616 20.966 16.740 1.00 5.31 H new ATOM 0 HH21 ARG A 51 24.730 23.915 14.811 1.00 52.32 H new ATOM 0 HH22 ARG A 51 24.737 23.234 16.441 1.00 52.32 H new ATOM 822 N GLU A 52 24.670 19.704 8.293 1.00 51.22 N ATOM 823 CA GLU A 52 24.762 18.526 7.438 1.00 54.41 C ATOM 824 C GLU A 52 25.568 17.423 8.117 1.00 71.12 C ATOM 825 O GLU A 52 26.417 17.692 8.967 1.00 41.34 O ATOM 826 CB GLU A 52 25.403 18.891 6.097 1.00 31.43 C ATOM 827 CG GLU A 52 24.751 20.081 5.414 1.00 32.10 C ATOM 828 CD GLU A 52 25.556 20.589 4.233 1.00 35.34 C ATOM 829 OE1 GLU A 52 26.767 20.839 4.404 1.00 71.01 O ATOM 830 OE2 GLU A 52 24.973 20.736 3.138 1.00 20.44 O ATOM 0 H GLU A 52 25.547 19.969 8.742 1.00 51.22 H new ATOM 0 HA GLU A 52 23.752 18.157 7.261 1.00 54.41 H new ATOM 0 HB2 GLU A 52 26.459 19.108 6.256 1.00 31.43 H new ATOM 0 HB3 GLU A 52 25.351 18.028 5.433 1.00 31.43 H new ATOM 0 HG2 GLU A 52 23.754 19.799 5.075 1.00 32.10 H new ATOM 0 HG3 GLU A 52 24.626 20.887 6.137 1.00 32.10 H new ATOM 837 N PHE A 53 25.295 16.179 7.736 1.00 42.31 N ATOM 838 CA PHE A 53 25.993 15.034 8.308 1.00 3.12 C ATOM 839 C PHE A 53 26.539 14.125 7.210 1.00 13.43 C ATOM 840 O PHE A 53 25.951 14.012 6.135 1.00 53.33 O ATOM 841 CB PHE A 53 25.055 14.243 9.222 1.00 63.52 C ATOM 842 CG PHE A 53 24.225 15.110 10.125 1.00 61.45 C ATOM 843 CD1 PHE A 53 24.805 16.149 10.834 1.00 31.32 C ATOM 844 CD2 PHE A 53 22.865 14.885 10.264 1.00 51.02 C ATOM 845 CE1 PHE A 53 24.044 16.949 11.666 1.00 73.24 C ATOM 846 CE2 PHE A 53 22.099 15.682 11.093 1.00 33.03 C ATOM 847 CZ PHE A 53 22.689 16.714 11.796 1.00 50.30 C ATOM 0 H PHE A 53 24.595 15.939 7.034 1.00 42.31 H new ATOM 0 HA PHE A 53 26.832 15.408 8.895 1.00 3.12 H new ATOM 0 HB2 PHE A 53 24.393 13.632 8.608 1.00 63.52 H new ATOM 0 HB3 PHE A 53 25.646 13.559 9.831 1.00 63.52 H new ATOM 0 HD1 PHE A 53 25.864 16.336 10.736 1.00 31.32 H new ATOM 0 HD2 PHE A 53 22.399 14.078 9.719 1.00 51.02 H new ATOM 0 HE1 PHE A 53 24.508 17.756 12.213 1.00 73.24 H new ATOM 0 HE2 PHE A 53 21.039 15.498 11.191 1.00 33.03 H new ATOM 0 HZ PHE A 53 22.092 17.336 12.446 1.00 50.30 H new ATOM 857 N TRP A 54 27.666 13.481 7.490 1.00 53.00 N ATOM 858 CA TRP A 54 28.291 12.583 6.526 1.00 25.44 C ATOM 859 C TRP A 54 27.617 11.215 6.540 1.00 43.14 C ATOM 860 O TRP A 54 27.017 10.818 7.537 1.00 12.33 O ATOM 861 CB TRP A 54 29.783 12.433 6.832 1.00 73.33 C ATOM 862 CG TRP A 54 30.542 13.721 6.731 1.00 10.15 C ATOM 863 CD1 TRP A 54 31.171 14.383 7.747 1.00 31.11 C ATOM 864 CD2 TRP A 54 30.750 14.504 5.551 1.00 71.33 C ATOM 865 NE1 TRP A 54 31.757 15.530 7.269 1.00 64.22 N ATOM 866 CE2 TRP A 54 31.514 15.626 5.924 1.00 4.32 C ATOM 867 CE3 TRP A 54 30.367 14.364 4.214 1.00 13.41 C ATOM 868 CZ2 TRP A 54 31.900 16.602 5.009 1.00 70.12 C ATOM 869 CZ3 TRP A 54 30.750 15.334 3.307 1.00 71.32 C ATOM 870 CH2 TRP A 54 31.511 16.440 3.707 1.00 52.31 C ATOM 0 H TRP A 54 28.165 13.564 8.376 1.00 53.00 H new ATOM 0 HA TRP A 54 28.172 13.016 5.533 1.00 25.44 H new ATOM 0 HB2 TRP A 54 29.902 12.027 7.837 1.00 73.33 H new ATOM 0 HB3 TRP A 54 30.217 11.709 6.143 1.00 73.33 H new ATOM 0 HD1 TRP A 54 31.203 14.053 8.775 1.00 31.11 H new ATOM 0 HE1 TRP A 54 32.287 16.201 7.825 1.00 64.22 H new ATOM 0 HE3 TRP A 54 29.783 13.513 3.896 1.00 13.41 H new ATOM 0 HZ2 TRP A 54 32.485 17.456 5.316 1.00 70.12 H new ATOM 0 HZ3 TRP A 54 30.457 15.238 2.272 1.00 71.32 H new ATOM 0 HH2 TRP A 54 31.796 17.179 2.973 1.00 52.31 H new ATOM 881 N GLY A 55 27.721 10.498 5.425 1.00 60.22 N ATOM 882 CA GLY A 55 27.116 9.182 5.330 1.00 2.04 C ATOM 883 C GLY A 55 27.005 8.696 3.899 1.00 41.42 C ATOM 884 O GLY A 55 27.423 9.386 2.968 1.00 31.24 O ATOM 0 H GLY A 55 28.213 10.805 4.586 1.00 60.22 H new ATOM 0 HA2 GLY A 55 27.708 8.471 5.907 1.00 2.04 H new ATOM 0 HA3 GLY A 55 26.123 9.209 5.779 1.00 2.04 H new ATOM 888 N TRP A 56 26.442 7.507 3.722 1.00 63.44 N ATOM 889 CA TRP A 56 26.279 6.929 2.392 1.00 25.34 C ATOM 890 C TRP A 56 24.871 6.376 2.208 1.00 34.42 C ATOM 891 O TRP A 56 24.443 5.485 2.942 1.00 20.14 O ATOM 892 CB TRP A 56 27.309 5.821 2.166 1.00 63.31 C ATOM 893 CG TRP A 56 27.316 4.785 3.249 1.00 13.13 C ATOM 894 CD1 TRP A 56 28.016 4.829 4.421 1.00 11.20 C ATOM 895 CD2 TRP A 56 26.589 3.551 3.260 1.00 44.32 C ATOM 896 NE1 TRP A 56 27.769 3.697 5.159 1.00 34.03 N ATOM 897 CE2 TRP A 56 26.896 2.898 4.469 1.00 21.33 C ATOM 898 CE3 TRP A 56 25.708 2.936 2.366 1.00 4.14 C ATOM 899 CZ2 TRP A 56 26.353 1.660 4.805 1.00 43.23 C ATOM 900 CZ3 TRP A 56 25.171 1.708 2.701 1.00 72.24 C ATOM 901 CH2 TRP A 56 25.494 1.081 3.911 1.00 32.33 C ATOM 0 H TRP A 56 26.091 6.924 4.482 1.00 63.44 H new ATOM 0 HA TRP A 56 26.438 7.719 1.658 1.00 25.34 H new ATOM 0 HB2 TRP A 56 27.107 5.336 1.211 1.00 63.31 H new ATOM 0 HB3 TRP A 56 28.301 6.267 2.093 1.00 63.31 H new ATOM 0 HD1 TRP A 56 28.668 5.635 4.723 1.00 11.20 H new ATOM 0 HE1 TRP A 56 28.170 3.486 6.073 1.00 34.03 H new ATOM 0 HE3 TRP A 56 25.452 3.412 1.431 1.00 4.14 H new ATOM 0 HZ2 TRP A 56 26.601 1.175 5.737 1.00 43.23 H new ATOM 0 HZ3 TRP A 56 24.490 1.223 2.018 1.00 72.24 H new ATOM 0 HH2 TRP A 56 25.056 0.121 4.143 1.00 32.33 H new ATOM 912 N TRP A 57 24.155 6.908 1.225 1.00 52.44 N ATOM 913 CA TRP A 57 22.793 6.467 0.945 1.00 62.33 C ATOM 914 C TRP A 57 22.793 5.258 0.015 1.00 2.31 C ATOM 915 O TRP A 57 23.446 5.266 -1.028 1.00 5.33 O ATOM 916 CB TRP A 57 21.984 7.605 0.322 1.00 52.25 C ATOM 917 CG TRP A 57 22.487 8.023 -1.027 1.00 71.42 C ATOM 918 CD1 TRP A 57 22.094 7.528 -2.238 1.00 34.22 C ATOM 919 CD2 TRP A 57 23.478 9.019 -1.301 1.00 73.05 C ATOM 920 NE1 TRP A 57 22.780 8.157 -3.248 1.00 64.43 N ATOM 921 CE2 TRP A 57 23.635 9.076 -2.700 1.00 52.32 C ATOM 922 CE3 TRP A 57 24.246 9.870 -0.502 1.00 71.32 C ATOM 923 CZ2 TRP A 57 24.529 9.950 -3.313 1.00 63.43 C ATOM 924 CZ3 TRP A 57 25.133 10.736 -1.112 1.00 63.32 C ATOM 925 CH2 TRP A 57 25.269 10.771 -2.506 1.00 53.14 C ATOM 0 H TRP A 57 24.494 7.646 0.608 1.00 52.44 H new ATOM 0 HA TRP A 57 22.331 6.177 1.888 1.00 62.33 H new ATOM 0 HB2 TRP A 57 20.943 7.295 0.233 1.00 52.25 H new ATOM 0 HB3 TRP A 57 22.005 8.465 0.992 1.00 52.25 H new ATOM 0 HD1 TRP A 57 21.353 6.756 -2.380 1.00 34.22 H new ATOM 0 HE1 TRP A 57 22.670 7.970 -4.245 1.00 64.43 H new ATOM 0 HE3 TRP A 57 24.148 9.851 0.573 1.00 71.32 H new ATOM 0 HZ2 TRP A 57 24.635 9.979 -4.387 1.00 63.43 H new ATOM 0 HZ3 TRP A 57 25.732 11.397 -0.504 1.00 63.32 H new ATOM 0 HH2 TRP A 57 25.971 11.459 -2.952 1.00 53.14 H new ATOM 936 N MET A 58 22.056 4.221 0.400 1.00 45.23 N ATOM 937 CA MET A 58 21.971 3.006 -0.402 1.00 23.34 C ATOM 938 C MET A 58 20.524 2.703 -0.779 1.00 5.35 C ATOM 939 O MET A 58 19.687 2.455 0.088 1.00 3.14 O ATOM 940 CB MET A 58 22.570 1.823 0.362 1.00 35.22 C ATOM 941 CG MET A 58 22.213 0.471 -0.235 1.00 45.12 C ATOM 942 SD MET A 58 20.957 -0.401 0.719 1.00 13.15 S ATOM 943 CE MET A 58 21.915 -0.930 2.137 1.00 11.12 C ATOM 0 H MET A 58 21.510 4.198 1.261 1.00 45.23 H new ATOM 0 HA MET A 58 22.540 3.164 -1.318 1.00 23.34 H new ATOM 0 HB2 MET A 58 23.655 1.927 0.383 1.00 35.22 H new ATOM 0 HB3 MET A 58 22.226 1.857 1.396 1.00 35.22 H new ATOM 0 HG2 MET A 58 21.856 0.612 -1.255 1.00 45.12 H new ATOM 0 HG3 MET A 58 23.111 -0.144 -0.294 1.00 45.12 H new ATOM 0 HE1 MET A 58 21.316 -1.603 2.751 1.00 11.12 H new ATOM 0 HE2 MET A 58 22.811 -1.450 1.797 1.00 11.12 H new ATOM 0 HE3 MET A 58 22.202 -0.060 2.727 1.00 11.12 H new ATOM 953 N GLU A 59 20.238 2.727 -2.077 1.00 24.54 N ATOM 954 CA GLU A 59 18.892 2.456 -2.566 1.00 72.23 C ATOM 955 C GLU A 59 18.855 1.158 -3.368 1.00 21.44 C ATOM 956 O GLU A 59 19.498 1.041 -4.412 1.00 31.21 O ATOM 957 CB GLU A 59 18.397 3.616 -3.432 1.00 10.52 C ATOM 958 CG GLU A 59 18.636 4.983 -2.812 1.00 30.00 C ATOM 959 CD GLU A 59 17.798 5.215 -1.570 1.00 33.22 C ATOM 960 OE1 GLU A 59 16.571 5.402 -1.708 1.00 31.35 O ATOM 961 OE2 GLU A 59 18.370 5.209 -0.459 1.00 74.24 O ATOM 0 H GLU A 59 20.920 2.931 -2.808 1.00 24.54 H new ATOM 0 HA GLU A 59 18.235 2.349 -1.703 1.00 72.23 H new ATOM 0 HB2 GLU A 59 18.895 3.574 -4.401 1.00 10.52 H new ATOM 0 HB3 GLU A 59 17.330 3.491 -3.616 1.00 10.52 H new ATOM 0 HG2 GLU A 59 19.691 5.083 -2.558 1.00 30.00 H new ATOM 0 HG3 GLU A 59 18.411 5.756 -3.547 1.00 30.00 H new ATOM 968 N LEU A 60 18.099 0.184 -2.871 1.00 43.44 N ATOM 969 CA LEU A 60 17.978 -1.107 -3.540 1.00 2.41 C ATOM 970 C LEU A 60 16.514 -1.464 -3.772 1.00 34.42 C ATOM 971 O LEU A 60 15.623 -0.935 -3.108 1.00 3.22 O ATOM 972 CB LEU A 60 18.657 -2.198 -2.710 1.00 75.34 C ATOM 973 CG LEU A 60 18.466 -2.107 -1.196 1.00 55.21 C ATOM 974 CD1 LEU A 60 17.002 -2.298 -0.830 1.00 72.11 C ATOM 975 CD2 LEU A 60 19.334 -3.135 -0.486 1.00 35.41 C ATOM 0 H LEU A 60 17.561 0.264 -2.008 1.00 43.44 H new ATOM 0 HA LEU A 60 18.473 -1.036 -4.509 1.00 2.41 H new ATOM 0 HB2 LEU A 60 18.285 -3.166 -3.045 1.00 75.34 H new ATOM 0 HB3 LEU A 60 19.726 -2.176 -2.923 1.00 75.34 H new ATOM 0 HG LEU A 60 18.774 -1.114 -0.869 1.00 55.21 H new ATOM 0 HD11 LEU A 60 16.886 -2.230 0.252 1.00 72.11 H new ATOM 0 HD12 LEU A 60 16.403 -1.523 -1.309 1.00 72.11 H new ATOM 0 HD13 LEU A 60 16.667 -3.278 -1.170 1.00 72.11 H new ATOM 0 HD21 LEU A 60 19.185 -3.056 0.591 1.00 35.41 H new ATOM 0 HD22 LEU A 60 19.058 -4.136 -0.818 1.00 35.41 H new ATOM 0 HD23 LEU A 60 20.382 -2.951 -0.722 1.00 35.41 H new ATOM 987 N GLU A 61 16.273 -2.368 -4.717 1.00 11.21 N ATOM 988 CA GLU A 61 14.916 -2.797 -5.035 1.00 10.14 C ATOM 989 C GLU A 61 14.806 -4.319 -5.008 1.00 3.24 C ATOM 990 O GLU A 61 15.451 -5.012 -5.794 1.00 33.10 O ATOM 991 CB GLU A 61 14.499 -2.269 -6.409 1.00 12.13 C ATOM 992 CG GLU A 61 12.997 -2.101 -6.566 1.00 71.52 C ATOM 993 CD GLU A 61 12.610 -1.552 -7.926 1.00 24.13 C ATOM 994 OE1 GLU A 61 13.493 -1.468 -8.805 1.00 0.31 O ATOM 995 OE2 GLU A 61 11.424 -1.207 -8.110 1.00 4.20 O ATOM 0 H GLU A 61 16.999 -2.817 -5.275 1.00 11.21 H new ATOM 0 HA GLU A 61 14.247 -2.388 -4.278 1.00 10.14 H new ATOM 0 HB2 GLU A 61 14.984 -1.308 -6.582 1.00 12.13 H new ATOM 0 HB3 GLU A 61 14.862 -2.952 -7.177 1.00 12.13 H new ATOM 0 HG2 GLU A 61 12.510 -3.064 -6.415 1.00 71.52 H new ATOM 0 HG3 GLU A 61 12.627 -1.432 -5.789 1.00 71.52 H new ATOM 1002 N ALA A 62 13.986 -4.831 -4.096 1.00 53.12 N ATOM 1003 CA ALA A 62 13.790 -6.269 -3.967 1.00 30.51 C ATOM 1004 C ALA A 62 13.446 -6.900 -5.312 1.00 51.22 C ATOM 1005 O ALA A 62 12.673 -6.341 -6.089 1.00 52.24 O ATOM 1006 CB ALA A 62 12.698 -6.564 -2.949 1.00 61.21 C ATOM 0 H ALA A 62 13.447 -4.271 -3.436 1.00 53.12 H new ATOM 0 HA ALA A 62 14.725 -6.708 -3.618 1.00 30.51 H new ATOM 0 HB1 ALA A 62 12.562 -7.642 -2.863 1.00 61.21 H new ATOM 0 HB2 ALA A 62 12.984 -6.156 -1.980 1.00 61.21 H new ATOM 0 HB3 ALA A 62 11.764 -6.106 -3.274 1.00 61.21 H new ATOM 1012 N GLN A 63 14.026 -8.066 -5.580 1.00 14.52 N ATOM 1013 CA GLN A 63 13.780 -8.770 -6.833 1.00 25.24 C ATOM 1014 C GLN A 63 12.836 -9.949 -6.619 1.00 2.45 C ATOM 1015 O GLN A 63 12.357 -10.178 -5.509 1.00 12.53 O ATOM 1016 CB GLN A 63 15.099 -9.261 -7.433 1.00 2.51 C ATOM 1017 CG GLN A 63 15.663 -8.336 -8.499 1.00 45.41 C ATOM 1018 CD GLN A 63 15.348 -8.805 -9.906 1.00 34.04 C ATOM 1019 OE1 GLN A 63 16.245 -8.976 -10.732 1.00 13.15 O ATOM 1020 NE2 GLN A 63 14.067 -9.017 -10.186 1.00 0.33 N ATOM 0 H GLN A 63 14.669 -8.542 -4.947 1.00 14.52 H new ATOM 0 HA GLN A 63 13.310 -8.073 -7.526 1.00 25.24 H new ATOM 0 HB2 GLN A 63 15.833 -9.372 -6.635 1.00 2.51 H new ATOM 0 HB3 GLN A 63 14.946 -10.250 -7.865 1.00 2.51 H new ATOM 0 HG2 GLN A 63 15.259 -7.334 -8.355 1.00 45.41 H new ATOM 0 HG3 GLN A 63 16.744 -8.265 -8.378 1.00 45.41 H new ATOM 0 HE21 GLN A 63 13.356 -8.863 -9.471 1.00 0.33 H new ATOM 0 HE22 GLN A 63 13.794 -9.334 -11.116 1.00 0.33 H new ATOM 1029 N GLU A 64 12.574 -10.692 -7.689 1.00 33.33 N ATOM 1030 CA GLU A 64 11.685 -11.846 -7.617 1.00 24.42 C ATOM 1031 C GLU A 64 12.073 -12.760 -6.458 1.00 23.22 C ATOM 1032 O GLU A 64 11.277 -13.004 -5.551 1.00 3.02 O ATOM 1033 CB GLU A 64 11.722 -12.629 -8.931 1.00 53.55 C ATOM 1034 CG GLU A 64 10.365 -13.161 -9.360 1.00 71.15 C ATOM 1035 CD GLU A 64 10.361 -13.663 -10.791 1.00 51.24 C ATOM 1036 OE1 GLU A 64 10.524 -12.835 -11.712 1.00 12.44 O ATOM 1037 OE2 GLU A 64 10.195 -14.885 -10.991 1.00 1.44 O ATOM 0 H GLU A 64 12.964 -10.516 -8.615 1.00 33.33 H new ATOM 0 HA GLU A 64 10.672 -11.482 -7.447 1.00 24.42 H new ATOM 0 HB2 GLU A 64 12.116 -11.985 -9.717 1.00 53.55 H new ATOM 0 HB3 GLU A 64 12.414 -13.464 -8.827 1.00 53.55 H new ATOM 0 HG2 GLU A 64 10.070 -13.972 -8.694 1.00 71.15 H new ATOM 0 HG3 GLU A 64 9.620 -12.373 -9.253 1.00 71.15 H new ATOM 1044 N LYS A 65 13.302 -13.264 -6.495 1.00 43.21 N ATOM 1045 CA LYS A 65 13.798 -14.150 -5.449 1.00 64.31 C ATOM 1046 C LYS A 65 15.213 -13.762 -5.033 1.00 4.24 C ATOM 1047 O LYS A 65 15.866 -14.478 -4.273 1.00 72.53 O ATOM 1048 CB LYS A 65 13.778 -15.603 -5.931 1.00 13.32 C ATOM 1049 CG LYS A 65 14.854 -15.919 -6.955 1.00 74.22 C ATOM 1050 CD LYS A 65 14.549 -15.280 -8.300 1.00 32.05 C ATOM 1051 CE LYS A 65 15.046 -16.140 -9.451 1.00 63.02 C ATOM 1052 NZ LYS A 65 16.528 -16.082 -9.587 1.00 22.23 N ATOM 0 H LYS A 65 13.973 -13.074 -7.239 1.00 43.21 H new ATOM 0 HA LYS A 65 13.143 -14.051 -4.583 1.00 64.31 H new ATOM 0 HB2 LYS A 65 13.900 -16.263 -5.073 1.00 13.32 H new ATOM 0 HB3 LYS A 65 12.801 -15.820 -6.364 1.00 13.32 H new ATOM 0 HG2 LYS A 65 15.818 -15.563 -6.592 1.00 74.22 H new ATOM 0 HG3 LYS A 65 14.937 -16.999 -7.075 1.00 74.22 H new ATOM 0 HD2 LYS A 65 13.474 -15.128 -8.396 1.00 32.05 H new ATOM 0 HD3 LYS A 65 15.016 -14.297 -8.351 1.00 32.05 H new ATOM 0 HE2 LYS A 65 14.736 -17.173 -9.293 1.00 63.02 H new ATOM 0 HE3 LYS A 65 14.583 -15.807 -10.380 1.00 63.02 H new ATOM 0 HZ1 LYS A 65 16.881 -16.999 -9.928 1.00 22.23 H new ATOM 0 HZ2 LYS A 65 16.785 -15.337 -10.266 1.00 22.23 H new ATOM 0 HZ3 LYS A 65 16.953 -15.869 -8.662 1.00 22.23 H new ATOM 1066 N ARG A 66 15.681 -12.623 -5.533 1.00 41.11 N ATOM 1067 CA ARG A 66 17.019 -12.140 -5.212 1.00 53.33 C ATOM 1068 C ARG A 66 16.958 -10.752 -4.580 1.00 63.22 C ATOM 1069 O ARG A 66 15.883 -10.172 -4.433 1.00 15.13 O ATOM 1070 CB ARG A 66 17.886 -12.101 -6.472 1.00 53.41 C ATOM 1071 CG ARG A 66 18.526 -13.436 -6.812 1.00 63.42 C ATOM 1072 CD ARG A 66 18.982 -13.483 -8.262 1.00 40.52 C ATOM 1073 NE ARG A 66 17.869 -13.309 -9.192 1.00 11.15 N ATOM 1074 CZ ARG A 66 18.021 -12.958 -10.464 1.00 5.24 C ATOM 1075 NH1 ARG A 66 19.234 -12.745 -10.955 1.00 43.40 N ATOM 1076 NH2 ARG A 66 16.959 -12.820 -11.247 1.00 4.10 N ATOM 0 H ARG A 66 15.154 -12.017 -6.162 1.00 41.11 H new ATOM 0 HA ARG A 66 17.465 -12.828 -4.494 1.00 53.33 H new ATOM 0 HB2 ARG A 66 17.274 -11.776 -7.314 1.00 53.41 H new ATOM 0 HB3 ARG A 66 18.670 -11.355 -6.341 1.00 53.41 H new ATOM 0 HG2 ARG A 66 19.379 -13.609 -6.156 1.00 63.42 H new ATOM 0 HG3 ARG A 66 17.813 -14.240 -6.628 1.00 63.42 H new ATOM 0 HD2 ARG A 66 19.724 -12.703 -8.434 1.00 40.52 H new ATOM 0 HD3 ARG A 66 19.472 -14.437 -8.457 1.00 40.52 H new ATOM 0 HE ARG A 66 16.923 -13.466 -8.845 1.00 11.15 H new ATOM 0 HH11 ARG A 66 20.053 -12.851 -10.356 1.00 43.40 H new ATOM 0 HH12 ARG A 66 19.349 -12.476 -11.932 1.00 43.40 H new ATOM 0 HH21 ARG A 66 16.024 -12.983 -10.872 1.00 4.10 H new ATOM 0 HH22 ARG A 66 17.077 -12.550 -12.224 1.00 4.10 H new ATOM 1090 N PHE A 67 18.121 -10.226 -4.208 1.00 74.12 N ATOM 1091 CA PHE A 67 18.200 -8.908 -3.590 1.00 42.44 C ATOM 1092 C PHE A 67 19.490 -8.197 -3.990 1.00 11.30 C ATOM 1093 O PHE A 67 20.577 -8.771 -3.919 1.00 42.21 O ATOM 1094 CB PHE A 67 18.122 -9.029 -2.067 1.00 64.12 C ATOM 1095 CG PHE A 67 17.064 -8.161 -1.450 1.00 14.12 C ATOM 1096 CD1 PHE A 67 17.337 -6.844 -1.116 1.00 34.21 C ATOM 1097 CD2 PHE A 67 15.795 -8.661 -1.204 1.00 61.20 C ATOM 1098 CE1 PHE A 67 16.364 -6.043 -0.547 1.00 63.50 C ATOM 1099 CE2 PHE A 67 14.819 -7.865 -0.636 1.00 35.13 C ATOM 1100 CZ PHE A 67 15.103 -6.554 -0.308 1.00 24.12 C ATOM 0 H PHE A 67 19.021 -10.692 -4.324 1.00 74.12 H new ATOM 0 HA PHE A 67 17.355 -8.317 -3.944 1.00 42.44 H new ATOM 0 HB2 PHE A 67 17.927 -10.068 -1.803 1.00 64.12 H new ATOM 0 HB3 PHE A 67 19.090 -8.767 -1.640 1.00 64.12 H new ATOM 0 HD1 PHE A 67 18.321 -6.439 -1.302 1.00 34.21 H new ATOM 0 HD2 PHE A 67 15.566 -9.685 -1.459 1.00 61.20 H new ATOM 0 HE1 PHE A 67 16.590 -5.019 -0.290 1.00 63.50 H new ATOM 0 HE2 PHE A 67 13.835 -8.268 -0.449 1.00 35.13 H new ATOM 0 HZ PHE A 67 14.341 -5.930 0.134 1.00 24.12 H new ATOM 1110 N THR A 68 19.361 -6.942 -4.411 1.00 62.33 N ATOM 1111 CA THR A 68 20.514 -6.153 -4.824 1.00 45.41 C ATOM 1112 C THR A 68 20.831 -5.066 -3.803 1.00 32.02 C ATOM 1113 O THR A 68 20.005 -4.745 -2.948 1.00 23.14 O ATOM 1114 CB THR A 68 20.284 -5.498 -6.199 1.00 13.40 C ATOM 1115 OG1 THR A 68 21.457 -4.783 -6.604 1.00 73.35 O ATOM 1116 CG2 THR A 68 19.096 -4.548 -6.153 1.00 60.05 C ATOM 0 H THR A 68 18.469 -6.451 -4.475 1.00 62.33 H new ATOM 0 HA THR A 68 21.358 -6.840 -4.894 1.00 45.41 H new ATOM 0 HB THR A 68 20.072 -6.286 -6.922 1.00 13.40 H new ATOM 0 HG1 THR A 68 21.303 -4.371 -7.480 1.00 73.35 H new ATOM 0 HG21 THR A 68 18.952 -4.097 -7.135 1.00 60.05 H new ATOM 0 HG22 THR A 68 18.199 -5.100 -5.873 1.00 60.05 H new ATOM 0 HG23 THR A 68 19.284 -3.765 -5.418 1.00 60.05 H new ATOM 1124 N TYR A 69 22.030 -4.503 -3.898 1.00 11.41 N ATOM 1125 CA TYR A 69 22.456 -3.452 -2.981 1.00 32.35 C ATOM 1126 C TYR A 69 23.570 -2.611 -3.595 1.00 52.44 C ATOM 1127 O TYR A 69 24.432 -3.126 -4.307 1.00 73.23 O ATOM 1128 CB TYR A 69 22.931 -4.061 -1.660 1.00 70.23 C ATOM 1129 CG TYR A 69 24.303 -4.690 -1.743 1.00 24.32 C ATOM 1130 CD1 TYR A 69 24.556 -5.742 -2.615 1.00 42.42 C ATOM 1131 CD2 TYR A 69 25.348 -4.232 -0.949 1.00 32.41 C ATOM 1132 CE1 TYR A 69 25.808 -6.320 -2.693 1.00 44.32 C ATOM 1133 CE2 TYR A 69 26.604 -4.803 -1.021 1.00 73.53 C ATOM 1134 CZ TYR A 69 26.829 -5.847 -1.895 1.00 32.15 C ATOM 1135 OH TYR A 69 28.078 -6.419 -1.970 1.00 71.43 O ATOM 0 H TYR A 69 22.724 -4.757 -4.601 1.00 11.41 H new ATOM 0 HA TYR A 69 21.601 -2.804 -2.789 1.00 32.35 H new ATOM 0 HB2 TYR A 69 22.942 -3.285 -0.895 1.00 70.23 H new ATOM 0 HB3 TYR A 69 22.213 -4.816 -1.338 1.00 70.23 H new ATOM 0 HD1 TYR A 69 23.760 -6.114 -3.243 1.00 42.42 H new ATOM 0 HD2 TYR A 69 25.175 -3.415 -0.264 1.00 32.41 H new ATOM 0 HE1 TYR A 69 25.987 -7.138 -3.375 1.00 44.32 H new ATOM 0 HE2 TYR A 69 27.405 -4.435 -0.397 1.00 73.53 H new ATOM 0 HH TYR A 69 28.682 -5.969 -1.344 1.00 71.43 H new ATOM 1145 N ARG A 70 23.545 -1.312 -3.314 1.00 51.14 N ATOM 1146 CA ARG A 70 24.551 -0.397 -3.839 1.00 65.24 C ATOM 1147 C ARG A 70 24.793 0.758 -2.873 1.00 2.35 C ATOM 1148 O ARG A 70 23.855 1.433 -2.449 1.00 14.14 O ATOM 1149 CB ARG A 70 24.117 0.146 -5.202 1.00 14.23 C ATOM 1150 CG ARG A 70 24.293 -0.847 -6.338 1.00 60.52 C ATOM 1151 CD ARG A 70 23.840 -0.261 -7.666 1.00 75.31 C ATOM 1152 NE ARG A 70 23.680 -1.289 -8.692 1.00 0.51 N ATOM 1153 CZ ARG A 70 23.269 -1.034 -9.929 1.00 71.01 C ATOM 1154 NH1 ARG A 70 22.978 0.207 -10.292 1.00 51.53 N ATOM 1155 NH2 ARG A 70 23.149 -2.022 -10.806 1.00 72.52 N ATOM 0 H ARG A 70 22.839 -0.870 -2.726 1.00 51.14 H new ATOM 0 HA ARG A 70 25.482 -0.951 -3.956 1.00 65.24 H new ATOM 0 HB2 ARG A 70 23.069 0.442 -5.149 1.00 14.23 H new ATOM 0 HB3 ARG A 70 24.691 1.045 -5.425 1.00 14.23 H new ATOM 0 HG2 ARG A 70 25.340 -1.140 -6.407 1.00 60.52 H new ATOM 0 HG3 ARG A 70 23.722 -1.751 -6.124 1.00 60.52 H new ATOM 0 HD2 ARG A 70 22.894 0.263 -7.527 1.00 75.31 H new ATOM 0 HD3 ARG A 70 24.567 0.478 -8.003 1.00 75.31 H new ATOM 0 HE ARG A 70 23.896 -2.255 -8.445 1.00 0.51 H new ATOM 0 HH11 ARG A 70 23.069 0.969 -9.621 1.00 51.53 H new ATOM 0 HH12 ARG A 70 22.663 0.400 -11.243 1.00 51.53 H new ATOM 0 HH21 ARG A 70 23.372 -2.978 -10.531 1.00 72.52 H new ATOM 0 HH22 ARG A 70 22.833 -1.825 -11.756 1.00 72.52 H new ATOM 1169 N TYR A 71 26.057 0.980 -2.528 1.00 33.21 N ATOM 1170 CA TYR A 71 26.422 2.051 -1.609 1.00 13.41 C ATOM 1171 C TYR A 71 27.194 3.150 -2.332 1.00 44.05 C ATOM 1172 O TYR A 71 28.042 2.872 -3.180 1.00 25.44 O ATOM 1173 CB TYR A 71 27.260 1.499 -0.455 1.00 34.42 C ATOM 1174 CG TYR A 71 28.347 0.546 -0.898 1.00 31.01 C ATOM 1175 CD1 TYR A 71 29.508 1.017 -1.498 1.00 62.41 C ATOM 1176 CD2 TYR A 71 28.213 -0.825 -0.715 1.00 62.03 C ATOM 1177 CE1 TYR A 71 30.504 0.150 -1.905 1.00 73.31 C ATOM 1178 CE2 TYR A 71 29.204 -1.699 -1.118 1.00 23.32 C ATOM 1179 CZ TYR A 71 30.347 -1.207 -1.713 1.00 23.13 C ATOM 1180 OH TYR A 71 31.337 -2.074 -2.115 1.00 43.14 O ATOM 0 H TYR A 71 26.846 0.432 -2.871 1.00 33.21 H new ATOM 0 HA TYR A 71 25.503 2.480 -1.209 1.00 13.41 H new ATOM 0 HB2 TYR A 71 27.715 2.331 0.083 1.00 34.42 H new ATOM 0 HB3 TYR A 71 26.603 0.986 0.247 1.00 34.42 H new ATOM 0 HD1 TYR A 71 29.634 2.079 -1.649 1.00 62.41 H new ATOM 0 HD2 TYR A 71 27.319 -1.214 -0.250 1.00 62.03 H new ATOM 0 HE1 TYR A 71 31.400 0.533 -2.371 1.00 73.31 H new ATOM 0 HE2 TYR A 71 29.084 -2.762 -0.968 1.00 23.32 H new ATOM 0 HH TYR A 71 31.071 -2.994 -1.907 1.00 43.14 H new ATOM 1190 N GLN A 72 26.894 4.399 -1.991 1.00 23.14 N ATOM 1191 CA GLN A 72 27.560 5.540 -2.607 1.00 42.12 C ATOM 1192 C GLN A 72 27.951 6.575 -1.557 1.00 62.21 C ATOM 1193 O GLN A 72 27.239 6.776 -0.573 1.00 74.14 O ATOM 1194 CB GLN A 72 26.652 6.181 -3.658 1.00 71.21 C ATOM 1195 CG GLN A 72 26.509 5.353 -4.925 1.00 34.52 C ATOM 1196 CD GLN A 72 26.111 6.187 -6.126 1.00 51.31 C ATOM 1197 OE1 GLN A 72 24.925 6.390 -6.391 1.00 25.13 O ATOM 1198 NE2 GLN A 72 27.102 6.677 -6.861 1.00 42.32 N ATOM 0 H GLN A 72 26.194 4.646 -1.291 1.00 23.14 H new ATOM 0 HA GLN A 72 28.468 5.180 -3.091 1.00 42.12 H new ATOM 0 HB2 GLN A 72 25.665 6.340 -3.225 1.00 71.21 H new ATOM 0 HB3 GLN A 72 27.048 7.163 -3.918 1.00 71.21 H new ATOM 0 HG2 GLN A 72 27.453 4.850 -5.134 1.00 34.52 H new ATOM 0 HG3 GLN A 72 25.762 4.576 -4.764 1.00 34.52 H new ATOM 0 HE21 GLN A 72 28.070 6.484 -6.605 1.00 42.32 H new ATOM 0 HE22 GLN A 72 26.895 7.246 -7.682 1.00 42.32 H new ATOM 1207 N PHE A 73 29.088 7.229 -1.772 1.00 71.53 N ATOM 1208 CA PHE A 73 29.575 8.242 -0.844 1.00 33.15 C ATOM 1209 C PHE A 73 29.082 9.629 -1.245 1.00 15.13 C ATOM 1210 O PHE A 73 28.752 9.871 -2.405 1.00 42.30 O ATOM 1211 CB PHE A 73 31.104 8.226 -0.794 1.00 51.52 C ATOM 1212 CG PHE A 73 31.659 7.404 0.334 1.00 50.44 C ATOM 1213 CD1 PHE A 73 31.185 6.125 0.575 1.00 54.21 C ATOM 1214 CD2 PHE A 73 32.655 7.911 1.153 1.00 51.21 C ATOM 1215 CE1 PHE A 73 31.693 5.366 1.612 1.00 64.23 C ATOM 1216 CE2 PHE A 73 33.168 7.156 2.191 1.00 51.42 C ATOM 1217 CZ PHE A 73 32.686 5.883 2.421 1.00 33.33 C ATOM 0 H PHE A 73 29.689 7.075 -2.581 1.00 71.53 H new ATOM 0 HA PHE A 73 29.184 8.009 0.146 1.00 33.15 H new ATOM 0 HB2 PHE A 73 31.486 7.838 -1.738 1.00 51.52 H new ATOM 0 HB3 PHE A 73 31.467 9.249 -0.700 1.00 51.52 H new ATOM 0 HD1 PHE A 73 30.409 5.716 -0.055 1.00 54.21 H new ATOM 0 HD2 PHE A 73 33.035 8.907 0.978 1.00 51.21 H new ATOM 0 HE1 PHE A 73 31.314 4.370 1.790 1.00 64.23 H new ATOM 0 HE2 PHE A 73 33.945 7.562 2.822 1.00 51.42 H new ATOM 0 HZ PHE A 73 33.085 5.292 3.232 1.00 33.33 H new ATOM 1227 N GLY A 74 29.033 10.537 -0.275 1.00 1.15 N ATOM 1228 CA GLY A 74 28.579 11.888 -0.545 1.00 55.42 C ATOM 1229 C GLY A 74 28.084 12.594 0.702 1.00 53.44 C ATOM 1230 O GLY A 74 28.726 12.540 1.751 1.00 32.23 O ATOM 0 H GLY A 74 29.300 10.360 0.694 1.00 1.15 H new ATOM 0 HA2 GLY A 74 29.396 12.462 -0.983 1.00 55.42 H new ATOM 0 HA3 GLY A 74 27.778 11.858 -1.284 1.00 55.42 H new ATOM 1234 N LEU A 75 26.940 13.261 0.588 1.00 61.44 N ATOM 1235 CA LEU A 75 26.360 13.983 1.715 1.00 74.54 C ATOM 1236 C LEU A 75 24.836 13.909 1.682 1.00 24.11 C ATOM 1237 O LEU A 75 24.226 13.939 0.614 1.00 74.25 O ATOM 1238 CB LEU A 75 26.811 15.444 1.697 1.00 65.12 C ATOM 1239 CG LEU A 75 25.999 16.408 2.562 1.00 5.13 C ATOM 1240 CD1 LEU A 75 26.038 15.978 4.020 1.00 32.04 C ATOM 1241 CD2 LEU A 75 26.521 17.830 2.410 1.00 74.43 C ATOM 0 H LEU A 75 26.396 13.317 -0.273 1.00 61.44 H new ATOM 0 HA LEU A 75 26.709 13.513 2.634 1.00 74.54 H new ATOM 0 HB2 LEU A 75 27.851 15.486 2.020 1.00 65.12 H new ATOM 0 HB3 LEU A 75 26.782 15.800 0.667 1.00 65.12 H new ATOM 0 HG LEU A 75 24.963 16.384 2.224 1.00 5.13 H new ATOM 0 HD11 LEU A 75 25.455 16.676 4.621 1.00 32.04 H new ATOM 0 HD12 LEU A 75 25.617 14.977 4.116 1.00 32.04 H new ATOM 0 HD13 LEU A 75 27.070 15.973 4.370 1.00 32.04 H new ATOM 0 HD21 LEU A 75 25.931 18.503 3.033 1.00 74.43 H new ATOM 0 HD22 LEU A 75 27.565 17.870 2.721 1.00 74.43 H new ATOM 0 HD23 LEU A 75 26.441 18.137 1.367 1.00 74.43 H new ATOM 1253 N PHE A 76 24.229 13.815 2.860 1.00 35.51 N ATOM 1254 CA PHE A 76 22.776 13.738 2.967 1.00 42.01 C ATOM 1255 C PHE A 76 22.193 15.074 3.418 1.00 30.13 C ATOM 1256 O PHE A 76 22.151 15.373 4.612 1.00 54.54 O ATOM 1257 CB PHE A 76 22.373 12.635 3.948 1.00 41.20 C ATOM 1258 CG PHE A 76 20.905 12.620 4.263 1.00 54.32 C ATOM 1259 CD1 PHE A 76 19.964 12.684 3.247 1.00 2.53 C ATOM 1260 CD2 PHE A 76 20.465 12.543 5.574 1.00 35.43 C ATOM 1261 CE1 PHE A 76 18.612 12.671 3.533 1.00 30.44 C ATOM 1262 CE2 PHE A 76 19.114 12.528 5.867 1.00 72.15 C ATOM 1263 CZ PHE A 76 18.186 12.593 4.845 1.00 44.20 C ATOM 0 H PHE A 76 24.720 13.790 3.754 1.00 35.51 H new ATOM 0 HA PHE A 76 22.376 13.501 1.981 1.00 42.01 H new ATOM 0 HB2 PHE A 76 22.657 11.668 3.532 1.00 41.20 H new ATOM 0 HB3 PHE A 76 22.934 12.761 4.874 1.00 41.20 H new ATOM 0 HD1 PHE A 76 20.291 12.745 2.220 1.00 2.53 H new ATOM 0 HD2 PHE A 76 21.186 12.494 6.377 1.00 35.43 H new ATOM 0 HE1 PHE A 76 17.889 12.722 2.732 1.00 30.44 H new ATOM 0 HE2 PHE A 76 18.784 12.466 6.894 1.00 72.15 H new ATOM 0 HZ PHE A 76 17.130 12.583 5.071 1.00 44.20 H new ATOM 1273 N ASP A 77 21.745 15.872 2.456 1.00 44.44 N ATOM 1274 CA ASP A 77 21.164 17.176 2.753 1.00 50.54 C ATOM 1275 C ASP A 77 19.759 17.027 3.327 1.00 31.24 C ATOM 1276 O ASP A 77 19.189 15.935 3.328 1.00 43.34 O ATOM 1277 CB ASP A 77 21.123 18.040 1.491 1.00 70.33 C ATOM 1278 CG ASP A 77 21.036 19.520 1.805 1.00 43.34 C ATOM 1279 OD1 ASP A 77 22.030 20.078 2.316 1.00 21.00 O ATOM 1280 OD2 ASP A 77 19.975 20.122 1.538 1.00 20.31 O ATOM 0 H ASP A 77 21.773 15.639 1.463 1.00 44.44 H new ATOM 0 HA ASP A 77 21.792 17.664 3.498 1.00 50.54 H new ATOM 0 HB2 ASP A 77 22.016 17.850 0.895 1.00 70.33 H new ATOM 0 HB3 ASP A 77 20.266 17.750 0.883 1.00 70.33 H new ATOM 1285 N LYS A 78 19.205 18.131 3.818 1.00 61.43 N ATOM 1286 CA LYS A 78 17.867 18.124 4.396 1.00 75.12 C ATOM 1287 C LYS A 78 16.802 18.182 3.305 1.00 63.54 C ATOM 1288 O LYS A 78 15.650 17.814 3.530 1.00 71.43 O ATOM 1289 CB LYS A 78 17.696 19.306 5.352 1.00 11.24 C ATOM 1290 CG LYS A 78 17.883 20.659 4.687 1.00 31.32 C ATOM 1291 CD LYS A 78 18.452 21.682 5.655 1.00 12.43 C ATOM 1292 CE LYS A 78 19.908 21.390 5.984 1.00 34.42 C ATOM 1293 NZ LYS A 78 20.838 22.103 5.066 1.00 61.52 N ATOM 0 H LYS A 78 19.663 19.042 3.827 1.00 61.43 H new ATOM 0 HA LYS A 78 17.744 17.194 4.951 1.00 75.12 H new ATOM 0 HB2 LYS A 78 16.701 19.263 5.795 1.00 11.24 H new ATOM 0 HB3 LYS A 78 18.413 19.209 6.168 1.00 11.24 H new ATOM 0 HG2 LYS A 78 18.550 20.556 3.831 1.00 31.32 H new ATOM 0 HG3 LYS A 78 16.926 21.012 4.304 1.00 31.32 H new ATOM 0 HD2 LYS A 78 18.369 22.679 5.223 1.00 12.43 H new ATOM 0 HD3 LYS A 78 17.864 21.682 6.573 1.00 12.43 H new ATOM 0 HE2 LYS A 78 20.114 21.687 7.012 1.00 34.42 H new ATOM 0 HE3 LYS A 78 20.087 20.317 5.920 1.00 34.42 H new ATOM 0 HZ1 LYS A 78 21.784 22.149 5.497 1.00 61.52 H new ATOM 0 HZ2 LYS A 78 20.893 21.592 4.162 1.00 61.52 H new ATOM 0 HZ3 LYS A 78 20.488 23.068 4.897 1.00 61.52 H new ATOM 1307 N GLU A 79 17.197 18.644 2.123 1.00 44.34 N ATOM 1308 CA GLU A 79 16.276 18.749 0.997 1.00 21.42 C ATOM 1309 C GLU A 79 16.052 17.385 0.349 1.00 13.25 C ATOM 1310 O GLU A 79 15.177 17.226 -0.501 1.00 1.20 O ATOM 1311 CB GLU A 79 16.814 19.736 -0.041 1.00 15.24 C ATOM 1312 CG GLU A 79 17.066 21.127 0.516 1.00 15.33 C ATOM 1313 CD GLU A 79 15.864 22.041 0.369 1.00 4.01 C ATOM 1314 OE1 GLU A 79 15.221 22.009 -0.701 1.00 5.22 O ATOM 1315 OE2 GLU A 79 15.567 22.788 1.325 1.00 44.10 O ATOM 0 H GLU A 79 18.148 18.951 1.920 1.00 44.34 H new ATOM 0 HA GLU A 79 15.321 19.115 1.375 1.00 21.42 H new ATOM 0 HB2 GLU A 79 17.744 19.345 -0.454 1.00 15.24 H new ATOM 0 HB3 GLU A 79 16.104 19.807 -0.865 1.00 15.24 H new ATOM 0 HG2 GLU A 79 17.332 21.049 1.570 1.00 15.33 H new ATOM 0 HG3 GLU A 79 17.920 21.570 0.004 1.00 15.33 H new ATOM 1322 N GLY A 80 16.850 16.404 0.759 1.00 72.53 N ATOM 1323 CA GLY A 80 16.724 15.067 0.208 1.00 34.31 C ATOM 1324 C GLY A 80 17.189 14.987 -1.232 1.00 71.42 C ATOM 1325 O GLY A 80 16.839 14.054 -1.954 1.00 34.34 O ATOM 0 H GLY A 80 17.581 16.511 1.462 1.00 72.53 H new ATOM 0 HA2 GLY A 80 17.305 14.372 0.813 1.00 34.31 H new ATOM 0 HA3 GLY A 80 15.683 14.749 0.269 1.00 34.31 H new ATOM 1329 N ASN A 81 17.980 15.969 -1.652 1.00 73.35 N ATOM 1330 CA ASN A 81 18.492 16.007 -3.017 1.00 70.55 C ATOM 1331 C ASN A 81 19.934 15.512 -3.071 1.00 62.12 C ATOM 1332 O ASN A 81 20.751 15.856 -2.217 1.00 21.01 O ATOM 1333 CB ASN A 81 18.407 17.428 -3.577 1.00 3.11 C ATOM 1334 CG ASN A 81 17.095 17.692 -4.289 1.00 72.23 C ATOM 1335 OD1 ASN A 81 16.839 17.149 -5.364 1.00 61.12 O ATOM 1336 ND2 ASN A 81 16.255 18.530 -3.692 1.00 24.43 N ATOM 0 H ASN A 81 18.280 16.749 -1.067 1.00 73.35 H new ATOM 0 HA ASN A 81 17.877 15.346 -3.628 1.00 70.55 H new ATOM 0 HB2 ASN A 81 18.526 18.144 -2.764 1.00 3.11 H new ATOM 0 HB3 ASN A 81 19.232 17.592 -4.270 1.00 3.11 H new ATOM 0 HD21 ASN A 81 15.357 18.746 -4.124 1.00 24.43 H new ATOM 0 HD22 ASN A 81 16.508 18.958 -2.801 1.00 24.43 H new ATOM 1343 N TRP A 82 20.239 14.704 -4.080 1.00 44.22 N ATOM 1344 CA TRP A 82 21.583 14.163 -4.246 1.00 25.42 C ATOM 1345 C TRP A 82 22.626 15.274 -4.213 1.00 42.51 C ATOM 1346 O TRP A 82 22.583 16.204 -5.019 1.00 42.44 O ATOM 1347 CB TRP A 82 21.685 13.389 -5.562 1.00 4.44 C ATOM 1348 CG TRP A 82 20.616 12.352 -5.725 1.00 41.14 C ATOM 1349 CD1 TRP A 82 20.045 11.601 -4.738 1.00 63.52 C ATOM 1350 CD2 TRP A 82 19.992 11.951 -6.950 1.00 14.03 C ATOM 1351 NE1 TRP A 82 19.103 10.756 -5.275 1.00 45.32 N ATOM 1352 CE2 TRP A 82 19.051 10.953 -6.630 1.00 32.42 C ATOM 1353 CE3 TRP A 82 20.134 12.339 -8.284 1.00 52.54 C ATOM 1354 CZ2 TRP A 82 18.259 10.339 -7.597 1.00 22.20 C ATOM 1355 CZ3 TRP A 82 19.348 11.729 -9.243 1.00 53.21 C ATOM 1356 CH2 TRP A 82 18.420 10.739 -8.896 1.00 35.51 C ATOM 0 H TRP A 82 19.574 14.409 -4.795 1.00 44.22 H new ATOM 0 HA TRP A 82 21.778 13.483 -3.417 1.00 25.42 H new ATOM 0 HB2 TRP A 82 21.630 14.091 -6.394 1.00 4.44 H new ATOM 0 HB3 TRP A 82 22.661 12.906 -5.617 1.00 4.44 H new ATOM 0 HD1 TRP A 82 20.296 11.662 -3.689 1.00 63.52 H new ATOM 0 HE1 TRP A 82 18.535 10.091 -4.750 1.00 45.32 H new ATOM 0 HE3 TRP A 82 20.846 13.103 -8.561 1.00 52.54 H new ATOM 0 HZ2 TRP A 82 17.544 9.575 -7.332 1.00 22.20 H new ATOM 0 HZ3 TRP A 82 19.451 12.021 -10.278 1.00 53.21 H new ATOM 0 HH2 TRP A 82 17.820 10.282 -9.669 1.00 35.51 H new ATOM 1367 N THR A 83 23.564 15.174 -3.276 1.00 31.50 N ATOM 1368 CA THR A 83 24.617 16.171 -3.138 1.00 42.20 C ATOM 1369 C THR A 83 25.954 15.517 -2.809 1.00 2.32 C ATOM 1370 O THR A 83 26.161 15.028 -1.698 1.00 12.30 O ATOM 1371 CB THR A 83 24.278 17.199 -2.042 1.00 75.11 C ATOM 1372 OG1 THR A 83 22.862 17.408 -1.989 1.00 10.43 O ATOM 1373 CG2 THR A 83 24.981 18.522 -2.304 1.00 25.22 C ATOM 0 H THR A 83 23.615 14.411 -2.601 1.00 31.50 H new ATOM 0 HA THR A 83 24.693 16.685 -4.096 1.00 42.20 H new ATOM 0 HB THR A 83 24.624 16.806 -1.086 1.00 75.11 H new ATOM 0 HG1 THR A 83 22.413 16.560 -1.789 1.00 10.43 H new ATOM 0 HG21 THR A 83 24.726 19.232 -1.517 1.00 25.22 H new ATOM 0 HG22 THR A 83 26.060 18.365 -2.316 1.00 25.22 H new ATOM 0 HG23 THR A 83 24.662 18.919 -3.268 1.00 25.22 H new ATOM 1381 N VAL A 84 26.861 15.512 -3.781 1.00 12.40 N ATOM 1382 CA VAL A 84 28.180 14.920 -3.593 1.00 73.24 C ATOM 1383 C VAL A 84 29.215 15.983 -3.242 1.00 34.52 C ATOM 1384 O VAL A 84 29.448 16.916 -4.010 1.00 62.53 O ATOM 1385 CB VAL A 84 28.641 14.167 -4.855 1.00 43.04 C ATOM 1386 CG1 VAL A 84 27.803 12.916 -5.068 1.00 31.34 C ATOM 1387 CG2 VAL A 84 28.574 15.077 -6.073 1.00 33.14 C ATOM 0 H VAL A 84 26.706 15.911 -4.707 1.00 12.40 H new ATOM 0 HA VAL A 84 28.096 14.214 -2.767 1.00 73.24 H new ATOM 0 HB VAL A 84 29.678 13.861 -4.715 1.00 43.04 H new ATOM 0 HG11 VAL A 84 28.144 12.398 -5.964 1.00 31.34 H new ATOM 0 HG12 VAL A 84 27.907 12.257 -4.206 1.00 31.34 H new ATOM 0 HG13 VAL A 84 26.756 13.195 -5.186 1.00 31.34 H new ATOM 0 HG21 VAL A 84 28.903 14.529 -6.956 1.00 33.14 H new ATOM 0 HG22 VAL A 84 27.548 15.416 -6.218 1.00 33.14 H new ATOM 0 HG23 VAL A 84 29.223 15.939 -5.919 1.00 33.14 H new ATOM 1397 N VAL A 85 29.833 15.835 -2.075 1.00 25.24 N ATOM 1398 CA VAL A 85 30.846 16.781 -1.621 1.00 14.02 C ATOM 1399 C VAL A 85 32.129 16.063 -1.219 1.00 70.45 C ATOM 1400 O VAL A 85 32.132 14.871 -0.908 1.00 54.41 O ATOM 1401 CB VAL A 85 30.341 17.613 -0.427 1.00 21.12 C ATOM 1402 CG1 VAL A 85 29.589 18.843 -0.912 1.00 61.33 C ATOM 1403 CG2 VAL A 85 29.463 16.764 0.480 1.00 54.20 C ATOM 0 H VAL A 85 29.650 15.069 -1.426 1.00 25.24 H new ATOM 0 HA VAL A 85 31.054 17.448 -2.458 1.00 14.02 H new ATOM 0 HB VAL A 85 31.203 17.949 0.150 1.00 21.12 H new ATOM 0 HG11 VAL A 85 29.240 19.418 -0.054 1.00 61.33 H new ATOM 0 HG12 VAL A 85 30.253 19.460 -1.517 1.00 61.33 H new ATOM 0 HG13 VAL A 85 28.734 18.533 -1.513 1.00 61.33 H new ATOM 0 HG21 VAL A 85 29.115 17.368 1.318 1.00 54.20 H new ATOM 0 HG22 VAL A 85 28.605 16.397 -0.084 1.00 54.20 H new ATOM 0 HG23 VAL A 85 30.039 15.918 0.856 1.00 54.20 H new ATOM 1413 N PRO A 86 33.248 16.802 -1.226 1.00 11.24 N ATOM 1414 CA PRO A 86 34.559 16.257 -0.864 1.00 24.25 C ATOM 1415 C PRO A 86 34.663 15.935 0.623 1.00 1.45 C ATOM 1416 O PRO A 86 34.123 16.657 1.463 1.00 61.41 O ATOM 1417 CB PRO A 86 35.527 17.383 -1.236 1.00 20.11 C ATOM 1418 CG PRO A 86 34.707 18.625 -1.167 1.00 63.12 C ATOM 1419 CD PRO A 86 33.319 18.228 -1.586 1.00 54.21 C ATOM 0 HA PRO A 86 34.763 15.315 -1.374 1.00 24.25 H new ATOM 0 HB2 PRO A 86 36.369 17.426 -0.545 1.00 20.11 H new ATOM 0 HB3 PRO A 86 35.940 17.236 -2.234 1.00 20.11 H new ATOM 0 HG2 PRO A 86 34.707 19.037 -0.158 1.00 63.12 H new ATOM 0 HG3 PRO A 86 35.108 19.395 -1.826 1.00 63.12 H new ATOM 0 HD2 PRO A 86 32.560 18.812 -1.066 1.00 54.21 H new ATOM 0 HD3 PRO A 86 33.162 18.381 -2.654 1.00 54.21 H new ATOM 1427 N ILE A 87 35.360 14.850 0.942 1.00 31.12 N ATOM 1428 CA ILE A 87 35.535 14.435 2.329 1.00 61.15 C ATOM 1429 C ILE A 87 36.870 14.920 2.883 1.00 64.52 C ATOM 1430 O ILE A 87 37.933 14.504 2.422 1.00 53.21 O ATOM 1431 CB ILE A 87 35.458 12.903 2.472 1.00 51.42 C ATOM 1432 CG1 ILE A 87 34.121 12.386 1.938 1.00 54.12 C ATOM 1433 CG2 ILE A 87 35.647 12.497 3.926 1.00 53.32 C ATOM 1434 CD1 ILE A 87 32.926 12.871 2.729 1.00 51.02 C ATOM 0 H ILE A 87 35.813 14.242 0.259 1.00 31.12 H new ATOM 0 HA ILE A 87 34.723 14.886 2.899 1.00 61.15 H new ATOM 0 HB ILE A 87 36.260 12.457 1.883 1.00 51.42 H new ATOM 0 HG12 ILE A 87 34.009 12.697 0.899 1.00 54.12 H new ATOM 0 HG13 ILE A 87 34.133 11.296 1.945 1.00 54.12 H new ATOM 0 HG21 ILE A 87 35.590 11.412 4.011 1.00 53.32 H new ATOM 0 HG22 ILE A 87 36.622 12.838 4.275 1.00 53.32 H new ATOM 0 HG23 ILE A 87 34.865 12.950 4.535 1.00 53.32 H new ATOM 0 HD11 ILE A 87 32.013 12.465 2.294 1.00 51.02 H new ATOM 0 HD12 ILE A 87 33.014 12.538 3.763 1.00 51.02 H new ATOM 0 HD13 ILE A 87 32.889 13.960 2.701 1.00 51.02 H new ATOM 1446 N ASN A 88 36.808 15.800 3.877 1.00 71.23 N ATOM 1447 CA ASN A 88 38.013 16.340 4.496 1.00 53.53 C ATOM 1448 C ASN A 88 38.386 15.546 5.744 1.00 43.53 C ATOM 1449 O ASN A 88 37.535 14.912 6.365 1.00 15.54 O ATOM 1450 CB ASN A 88 37.809 17.813 4.857 1.00 52.34 C ATOM 1451 CG ASN A 88 37.941 18.727 3.653 1.00 15.05 C ATOM 1452 OD1 ASN A 88 37.036 18.812 2.823 1.00 51.41 O ATOM 1453 ND2 ASN A 88 39.072 19.415 3.555 1.00 52.53 N ATOM 0 H ASN A 88 35.936 16.154 4.271 1.00 71.23 H new ATOM 0 HA ASN A 88 38.829 16.258 3.778 1.00 53.53 H new ATOM 0 HB2 ASN A 88 36.822 17.942 5.301 1.00 52.34 H new ATOM 0 HB3 ASN A 88 38.539 18.104 5.612 1.00 52.34 H new ATOM 0 HD21 ASN A 88 39.218 20.046 2.767 1.00 52.53 H new ATOM 0 HD22 ASN A 88 39.795 19.312 4.267 1.00 52.53 H new ATOM 1460 N GLU A 89 39.665 15.587 6.104 1.00 44.33 N ATOM 1461 CA GLU A 89 40.151 14.871 7.277 1.00 2.34 C ATOM 1462 C GLU A 89 39.992 13.364 7.100 1.00 51.12 C ATOM 1463 O GLU A 89 38.899 12.820 7.262 1.00 61.34 O ATOM 1464 CB GLU A 89 39.401 15.330 8.529 1.00 13.52 C ATOM 1465 CG GLU A 89 40.301 15.943 9.588 1.00 4.34 C ATOM 1466 CD GLU A 89 40.662 17.385 9.285 1.00 70.42 C ATOM 1467 OE1 GLU A 89 39.878 18.283 9.654 1.00 54.43 O ATOM 1468 OE2 GLU A 89 41.729 17.613 8.678 1.00 4.20 O ATOM 0 H GLU A 89 40.383 16.108 5.600 1.00 44.33 H new ATOM 0 HA GLU A 89 41.211 15.096 7.394 1.00 2.34 H new ATOM 0 HB2 GLU A 89 38.644 16.059 8.241 1.00 13.52 H new ATOM 0 HB3 GLU A 89 38.875 14.478 8.960 1.00 13.52 H new ATOM 0 HG2 GLU A 89 39.802 15.893 10.556 1.00 4.34 H new ATOM 0 HG3 GLU A 89 41.214 15.353 9.669 1.00 4.34 H new ATOM 1475 N THR A 90 41.090 12.694 6.765 1.00 43.11 N ATOM 1476 CA THR A 90 41.074 11.251 6.563 1.00 34.22 C ATOM 1477 C THR A 90 40.468 10.535 7.765 1.00 72.31 C ATOM 1478 O THR A 90 39.900 9.451 7.631 1.00 0.31 O ATOM 1479 CB THR A 90 42.491 10.702 6.314 1.00 61.01 C ATOM 1480 OG1 THR A 90 42.436 9.291 6.078 1.00 34.31 O ATOM 1481 CG2 THR A 90 43.399 10.988 7.501 1.00 74.40 C ATOM 0 H THR A 90 42.003 13.129 6.628 1.00 43.11 H new ATOM 0 HA THR A 90 40.460 11.062 5.682 1.00 34.22 H new ATOM 0 HB THR A 90 42.900 11.201 5.435 1.00 61.01 H new ATOM 0 HG1 THR A 90 43.341 8.950 5.919 1.00 34.31 H new ATOM 0 HG21 THR A 90 44.394 10.591 7.302 1.00 74.40 H new ATOM 0 HG22 THR A 90 43.463 12.065 7.659 1.00 74.40 H new ATOM 0 HG23 THR A 90 42.991 10.514 8.394 1.00 74.40 H new ATOM 1489 N GLU A 91 40.592 11.148 8.938 1.00 62.31 N ATOM 1490 CA GLU A 91 40.056 10.567 10.163 1.00 21.22 C ATOM 1491 C GLU A 91 38.574 10.238 10.006 1.00 23.33 C ATOM 1492 O GLU A 91 38.085 9.248 10.552 1.00 44.32 O ATOM 1493 CB GLU A 91 40.255 11.526 11.338 1.00 10.44 C ATOM 1494 CG GLU A 91 39.861 12.960 11.027 1.00 41.43 C ATOM 1495 CD GLU A 91 39.801 13.831 12.266 1.00 14.44 C ATOM 1496 OE1 GLU A 91 40.790 13.847 13.029 1.00 71.23 O ATOM 1497 OE2 GLU A 91 38.765 14.497 12.475 1.00 51.04 O ATOM 0 H GLU A 91 41.059 12.046 9.066 1.00 62.31 H new ATOM 0 HA GLU A 91 40.597 9.642 10.363 1.00 21.22 H new ATOM 0 HB2 GLU A 91 39.669 11.173 12.187 1.00 10.44 H new ATOM 0 HB3 GLU A 91 41.302 11.503 11.641 1.00 10.44 H new ATOM 0 HG2 GLU A 91 40.577 13.385 10.323 1.00 41.43 H new ATOM 0 HG3 GLU A 91 38.888 12.967 10.535 1.00 41.43 H new ATOM 1504 N VAL A 92 37.864 11.075 9.257 1.00 2.20 N ATOM 1505 CA VAL A 92 36.439 10.874 9.027 1.00 15.21 C ATOM 1506 C VAL A 92 36.198 9.809 7.964 1.00 63.43 C ATOM 1507 O VAL A 92 35.362 8.922 8.136 1.00 72.23 O ATOM 1508 CB VAL A 92 35.750 12.182 8.593 1.00 62.24 C ATOM 1509 CG1 VAL A 92 34.265 11.952 8.359 1.00 31.51 C ATOM 1510 CG2 VAL A 92 35.973 13.271 9.631 1.00 34.00 C ATOM 0 H VAL A 92 38.253 11.899 8.799 1.00 2.20 H new ATOM 0 HA VAL A 92 36.010 10.542 9.973 1.00 15.21 H new ATOM 0 HB VAL A 92 36.194 12.511 7.653 1.00 62.24 H new ATOM 0 HG11 VAL A 92 33.796 12.887 8.053 1.00 31.51 H new ATOM 0 HG12 VAL A 92 34.131 11.206 7.576 1.00 31.51 H new ATOM 0 HG13 VAL A 92 33.802 11.598 9.280 1.00 31.51 H new ATOM 0 HG21 VAL A 92 35.480 14.188 9.308 1.00 34.00 H new ATOM 0 HG22 VAL A 92 35.558 12.953 10.587 1.00 34.00 H new ATOM 0 HG23 VAL A 92 37.042 13.454 9.742 1.00 34.00 H new ATOM 1520 N VAL A 93 36.938 9.901 6.863 1.00 2.02 N ATOM 1521 CA VAL A 93 36.807 8.944 5.771 1.00 23.23 C ATOM 1522 C VAL A 93 36.928 7.511 6.279 1.00 51.33 C ATOM 1523 O VAL A 93 36.295 6.600 5.748 1.00 34.40 O ATOM 1524 CB VAL A 93 37.872 9.183 4.684 1.00 2.14 C ATOM 1525 CG1 VAL A 93 39.004 8.176 4.815 1.00 25.11 C ATOM 1526 CG2 VAL A 93 37.245 9.116 3.300 1.00 34.33 C ATOM 0 H VAL A 93 37.635 10.629 6.704 1.00 2.02 H new ATOM 0 HA VAL A 93 35.818 9.091 5.338 1.00 23.23 H new ATOM 0 HB VAL A 93 38.288 10.181 4.821 1.00 2.14 H new ATOM 0 HG11 VAL A 93 39.747 8.360 4.039 1.00 25.11 H new ATOM 0 HG12 VAL A 93 39.470 8.278 5.795 1.00 25.11 H new ATOM 0 HG13 VAL A 93 38.608 7.167 4.705 1.00 25.11 H new ATOM 0 HG21 VAL A 93 38.012 9.287 2.544 1.00 34.33 H new ATOM 0 HG22 VAL A 93 36.800 8.132 3.149 1.00 34.33 H new ATOM 0 HG23 VAL A 93 36.473 9.880 3.213 1.00 34.33 H new ATOM 1536 N GLU A 94 37.745 7.321 7.310 1.00 10.40 N ATOM 1537 CA GLU A 94 37.948 5.999 7.889 1.00 24.40 C ATOM 1538 C GLU A 94 36.696 5.528 8.624 1.00 65.23 C ATOM 1539 O GLU A 94 36.397 4.334 8.660 1.00 3.21 O ATOM 1540 CB GLU A 94 39.140 6.015 8.849 1.00 42.34 C ATOM 1541 CG GLU A 94 40.481 6.170 8.151 1.00 21.10 C ATOM 1542 CD GLU A 94 41.651 5.821 9.051 1.00 14.00 C ATOM 1543 OE1 GLU A 94 41.445 5.064 10.023 1.00 61.22 O ATOM 1544 OE2 GLU A 94 42.770 6.305 8.784 1.00 23.23 O ATOM 0 H GLU A 94 38.277 8.066 7.761 1.00 10.40 H new ATOM 0 HA GLU A 94 38.155 5.303 7.076 1.00 24.40 H new ATOM 0 HB2 GLU A 94 39.013 6.832 9.559 1.00 42.34 H new ATOM 0 HB3 GLU A 94 39.144 5.090 9.425 1.00 42.34 H new ATOM 0 HG2 GLU A 94 40.503 5.531 7.268 1.00 21.10 H new ATOM 0 HG3 GLU A 94 40.589 7.197 7.803 1.00 21.10 H new ATOM 1551 N ARG A 95 35.969 6.474 9.208 1.00 4.51 N ATOM 1552 CA ARG A 95 34.751 6.157 9.943 1.00 1.34 C ATOM 1553 C ARG A 95 33.611 5.818 8.987 1.00 5.40 C ATOM 1554 O ARG A 95 32.773 4.965 9.280 1.00 24.35 O ATOM 1555 CB ARG A 95 34.349 7.332 10.837 1.00 51.11 C ATOM 1556 CG ARG A 95 33.001 7.148 11.515 1.00 50.33 C ATOM 1557 CD ARG A 95 33.020 5.976 12.483 1.00 74.21 C ATOM 1558 NE ARG A 95 33.672 6.318 13.744 1.00 31.30 N ATOM 1559 CZ ARG A 95 33.923 5.435 14.704 1.00 2.04 C ATOM 1560 NH1 ARG A 95 33.579 4.164 14.548 1.00 12.31 N ATOM 1561 NH2 ARG A 95 34.521 5.823 15.824 1.00 75.10 N ATOM 0 H ARG A 95 36.202 7.467 9.186 1.00 4.51 H new ATOM 0 HA ARG A 95 34.950 5.286 10.567 1.00 1.34 H new ATOM 0 HB2 ARG A 95 35.114 7.475 11.600 1.00 51.11 H new ATOM 0 HB3 ARG A 95 34.323 8.242 10.237 1.00 51.11 H new ATOM 0 HG2 ARG A 95 32.734 8.059 12.050 1.00 50.33 H new ATOM 0 HG3 ARG A 95 32.232 6.985 10.760 1.00 50.33 H new ATOM 0 HD2 ARG A 95 31.998 5.652 12.680 1.00 74.21 H new ATOM 0 HD3 ARG A 95 33.539 5.135 12.023 1.00 74.21 H new ATOM 0 HE ARG A 95 33.950 7.288 13.896 1.00 31.30 H new ATOM 0 HH11 ARG A 95 33.120 3.862 13.689 1.00 12.31 H new ATOM 0 HH12 ARG A 95 33.773 3.489 15.287 1.00 12.31 H new ATOM 0 HH21 ARG A 95 34.788 6.800 15.948 1.00 75.10 H new ATOM 0 HH22 ARG A 95 34.713 5.144 16.561 1.00 75.10 H new ATOM 1575 N LEU A 96 33.586 6.493 7.843 1.00 62.33 N ATOM 1576 CA LEU A 96 32.549 6.264 6.843 1.00 61.24 C ATOM 1577 C LEU A 96 32.731 4.907 6.170 1.00 45.13 C ATOM 1578 O LEU A 96 31.772 4.157 5.995 1.00 20.34 O ATOM 1579 CB LEU A 96 32.573 7.375 5.791 1.00 20.41 C ATOM 1580 CG LEU A 96 31.764 8.630 6.122 1.00 25.50 C ATOM 1581 CD1 LEU A 96 30.297 8.282 6.321 1.00 42.35 C ATOM 1582 CD2 LEU A 96 32.325 9.314 7.360 1.00 32.24 C ATOM 0 H LEU A 96 34.272 7.203 7.585 1.00 62.33 H new ATOM 0 HA LEU A 96 31.583 6.271 7.349 1.00 61.24 H new ATOM 0 HB2 LEU A 96 33.610 7.668 5.625 1.00 20.41 H new ATOM 0 HB3 LEU A 96 32.203 6.966 4.851 1.00 20.41 H new ATOM 0 HG LEU A 96 31.841 9.321 5.283 1.00 25.50 H new ATOM 0 HD11 LEU A 96 29.737 9.187 6.556 1.00 42.35 H new ATOM 0 HD12 LEU A 96 29.901 7.837 5.408 1.00 42.35 H new ATOM 0 HD13 LEU A 96 30.200 7.572 7.142 1.00 42.35 H new ATOM 0 HD21 LEU A 96 31.737 10.205 7.581 1.00 32.24 H new ATOM 0 HD22 LEU A 96 32.278 8.629 8.207 1.00 32.24 H new ATOM 0 HD23 LEU A 96 33.362 9.598 7.180 1.00 32.24 H new ATOM 1594 N GLU A 97 33.970 4.599 5.796 1.00 14.11 N ATOM 1595 CA GLU A 97 34.277 3.332 5.144 1.00 70.31 C ATOM 1596 C GLU A 97 33.983 2.157 6.072 1.00 34.30 C ATOM 1597 O GLU A 97 33.491 1.115 5.636 1.00 14.53 O ATOM 1598 CB GLU A 97 35.744 3.298 4.710 1.00 0.35 C ATOM 1599 CG GLU A 97 36.723 3.457 5.862 1.00 74.11 C ATOM 1600 CD GLU A 97 38.168 3.460 5.403 1.00 51.10 C ATOM 1601 OE1 GLU A 97 38.416 3.804 4.228 1.00 32.41 O ATOM 1602 OE2 GLU A 97 39.050 3.119 6.218 1.00 45.13 O ATOM 0 H GLU A 97 34.776 5.209 5.934 1.00 14.11 H new ATOM 0 HA GLU A 97 33.642 3.244 4.262 1.00 70.31 H new ATOM 0 HB2 GLU A 97 35.943 2.354 4.203 1.00 0.35 H new ATOM 0 HB3 GLU A 97 35.918 4.092 3.984 1.00 0.35 H new ATOM 0 HG2 GLU A 97 36.511 4.388 6.388 1.00 74.11 H new ATOM 0 HG3 GLU A 97 36.574 2.646 6.575 1.00 74.11 H new ATOM 1609 N TYR A 98 34.288 2.332 7.353 1.00 72.41 N ATOM 1610 CA TYR A 98 34.059 1.286 8.343 1.00 63.32 C ATOM 1611 C TYR A 98 32.568 1.018 8.518 1.00 74.43 C ATOM 1612 O TYR A 98 32.126 -0.132 8.519 1.00 64.22 O ATOM 1613 CB TYR A 98 34.679 1.680 9.685 1.00 53.24 C ATOM 1614 CG TYR A 98 34.508 0.633 10.762 1.00 70.24 C ATOM 1615 CD1 TYR A 98 33.297 0.482 11.426 1.00 61.21 C ATOM 1616 CD2 TYR A 98 35.558 -0.207 11.114 1.00 13.42 C ATOM 1617 CE1 TYR A 98 33.137 -0.473 12.411 1.00 21.30 C ATOM 1618 CE2 TYR A 98 35.406 -1.166 12.097 1.00 3.51 C ATOM 1619 CZ TYR A 98 34.194 -1.295 12.743 1.00 44.41 C ATOM 1620 OH TYR A 98 34.039 -2.248 13.723 1.00 74.23 O ATOM 0 H TYR A 98 34.694 3.188 7.730 1.00 72.41 H new ATOM 0 HA TYR A 98 34.534 0.373 7.985 1.00 63.32 H new ATOM 0 HB2 TYR A 98 35.742 1.872 9.542 1.00 53.24 H new ATOM 0 HB3 TYR A 98 34.230 2.614 10.023 1.00 53.24 H new ATOM 0 HD1 TYR A 98 32.467 1.122 11.168 1.00 61.21 H new ATOM 0 HD2 TYR A 98 36.508 -0.108 10.611 1.00 13.42 H new ATOM 0 HE1 TYR A 98 32.189 -0.576 12.919 1.00 21.30 H new ATOM 0 HE2 TYR A 98 36.232 -1.811 12.358 1.00 3.51 H new ATOM 0 HH TYR A 98 34.878 -2.743 13.834 1.00 74.23 H new ATOM 1630 N THR A 99 31.794 2.089 8.665 1.00 32.41 N ATOM 1631 CA THR A 99 30.352 1.971 8.841 1.00 12.33 C ATOM 1632 C THR A 99 29.708 1.269 7.652 1.00 71.34 C ATOM 1633 O THR A 99 28.637 0.672 7.775 1.00 64.12 O ATOM 1634 CB THR A 99 29.694 3.352 9.025 1.00 22.01 C ATOM 1635 OG1 THR A 99 30.292 4.302 8.136 1.00 25.12 O ATOM 1636 CG2 THR A 99 29.838 3.833 10.461 1.00 1.01 C ATOM 0 H THR A 99 32.142 3.048 8.666 1.00 32.41 H new ATOM 0 HA THR A 99 30.191 1.377 9.740 1.00 12.33 H new ATOM 0 HB THR A 99 28.633 3.258 8.795 1.00 22.01 H new ATOM 0 HG1 THR A 99 30.662 3.834 7.358 1.00 25.12 H new ATOM 0 HG21 THR A 99 29.366 4.810 10.567 1.00 1.01 H new ATOM 0 HG22 THR A 99 29.356 3.123 11.133 1.00 1.01 H new ATOM 0 HG23 THR A 99 30.895 3.912 10.714 1.00 1.01 H new ATOM 1644 N LEU A 100 30.366 1.342 6.500 1.00 0.20 N ATOM 1645 CA LEU A 100 29.858 0.712 5.287 1.00 74.24 C ATOM 1646 C LEU A 100 30.049 -0.801 5.337 1.00 1.44 C ATOM 1647 O LEU A 100 29.170 -1.561 4.932 1.00 22.41 O ATOM 1648 CB LEU A 100 30.563 1.286 4.056 1.00 32.43 C ATOM 1649 CG LEU A 100 30.437 0.470 2.769 1.00 32.12 C ATOM 1650 CD1 LEU A 100 30.378 1.389 1.559 1.00 61.54 C ATOM 1651 CD2 LEU A 100 31.595 -0.509 2.643 1.00 42.15 C ATOM 0 H LEU A 100 31.253 1.832 6.381 1.00 0.20 H new ATOM 0 HA LEU A 100 28.791 0.923 5.218 1.00 74.24 H new ATOM 0 HB2 LEU A 100 30.169 2.285 3.869 1.00 32.43 H new ATOM 0 HB3 LEU A 100 31.622 1.399 4.288 1.00 32.43 H new ATOM 0 HG LEU A 100 29.509 -0.100 2.812 1.00 32.12 H new ATOM 0 HD11 LEU A 100 30.288 0.791 0.652 1.00 61.54 H new ATOM 0 HD12 LEU A 100 29.515 2.049 1.645 1.00 61.54 H new ATOM 0 HD13 LEU A 100 31.288 1.987 1.511 1.00 61.54 H new ATOM 0 HD21 LEU A 100 31.489 -1.081 1.721 1.00 42.15 H new ATOM 0 HD22 LEU A 100 32.536 0.041 2.622 1.00 42.15 H new ATOM 0 HD23 LEU A 100 31.591 -1.189 3.495 1.00 42.15 H new ATOM 1663 N ARG A 101 31.202 -1.229 5.840 1.00 65.23 N ATOM 1664 CA ARG A 101 31.509 -2.651 5.945 1.00 52.24 C ATOM 1665 C ARG A 101 30.664 -3.310 7.031 1.00 70.22 C ATOM 1666 O ARG A 101 30.041 -4.346 6.802 1.00 61.31 O ATOM 1667 CB ARG A 101 32.995 -2.853 6.246 1.00 32.12 C ATOM 1668 CG ARG A 101 33.563 -4.140 5.671 1.00 44.25 C ATOM 1669 CD ARG A 101 34.803 -4.589 6.428 1.00 32.34 C ATOM 1670 NE ARG A 101 34.503 -4.922 7.819 1.00 65.35 N ATOM 1671 CZ ARG A 101 35.436 -5.126 8.743 1.00 72.05 C ATOM 1672 NH1 ARG A 101 36.720 -5.031 8.426 1.00 52.42 N ATOM 1673 NH2 ARG A 101 35.084 -5.425 9.987 1.00 65.34 N ATOM 0 H ARG A 101 31.939 -0.612 6.181 1.00 65.23 H new ATOM 0 HA ARG A 101 31.272 -3.120 4.990 1.00 52.24 H new ATOM 0 HB2 ARG A 101 33.556 -2.008 5.847 1.00 32.12 H new ATOM 0 HB3 ARG A 101 33.142 -2.852 7.326 1.00 32.12 H new ATOM 0 HG2 ARG A 101 32.806 -4.923 5.713 1.00 44.25 H new ATOM 0 HG3 ARG A 101 33.811 -3.992 4.620 1.00 44.25 H new ATOM 0 HD2 ARG A 101 35.236 -5.458 5.932 1.00 32.34 H new ATOM 0 HD3 ARG A 101 35.553 -3.798 6.398 1.00 32.34 H new ATOM 0 HE ARG A 101 33.524 -5.002 8.096 1.00 65.35 H new ATOM 0 HH11 ARG A 101 36.994 -4.801 7.471 1.00 52.42 H new ATOM 0 HH12 ARG A 101 37.434 -5.188 9.137 1.00 52.42 H new ATOM 0 HH21 ARG A 101 34.097 -5.498 10.234 1.00 65.34 H new ATOM 0 HH22 ARG A 101 35.800 -5.582 10.696 1.00 65.34 H new ATOM 1687 N GLU A 102 30.649 -2.702 8.213 1.00 41.12 N ATOM 1688 CA GLU A 102 29.882 -3.231 9.334 1.00 31.41 C ATOM 1689 C GLU A 102 28.398 -3.313 8.988 1.00 70.43 C ATOM 1690 O GLU A 102 27.692 -4.214 9.441 1.00 20.41 O ATOM 1691 CB GLU A 102 30.080 -2.357 10.574 1.00 32.43 C ATOM 1692 CG GLU A 102 29.452 -0.979 10.454 1.00 50.00 C ATOM 1693 CD GLU A 102 28.127 -0.876 11.184 1.00 52.33 C ATOM 1694 OE1 GLU A 102 27.297 -1.798 11.042 1.00 24.42 O ATOM 1695 OE2 GLU A 102 27.920 0.128 11.897 1.00 54.51 O ATOM 0 H GLU A 102 31.159 -1.843 8.419 1.00 41.12 H new ATOM 0 HA GLU A 102 30.244 -4.237 9.546 1.00 31.41 H new ATOM 0 HB2 GLU A 102 29.655 -2.867 11.439 1.00 32.43 H new ATOM 0 HB3 GLU A 102 31.148 -2.245 10.763 1.00 32.43 H new ATOM 0 HG2 GLU A 102 30.141 -0.234 10.852 1.00 50.00 H new ATOM 0 HG3 GLU A 102 29.301 -0.743 9.401 1.00 50.00 H new ATOM 1702 N PHE A 103 27.932 -2.366 8.181 1.00 15.33 N ATOM 1703 CA PHE A 103 26.532 -2.329 7.775 1.00 54.34 C ATOM 1704 C PHE A 103 26.227 -3.438 6.772 1.00 30.12 C ATOM 1705 O PHE A 103 25.130 -3.998 6.763 1.00 41.12 O ATOM 1706 CB PHE A 103 26.191 -0.967 7.165 1.00 64.32 C ATOM 1707 CG PHE A 103 24.720 -0.757 6.952 1.00 14.42 C ATOM 1708 CD1 PHE A 103 24.050 -1.425 5.940 1.00 34.33 C ATOM 1709 CD2 PHE A 103 24.006 0.110 7.764 1.00 32.35 C ATOM 1710 CE1 PHE A 103 22.695 -1.233 5.742 1.00 5.52 C ATOM 1711 CE2 PHE A 103 22.651 0.306 7.571 1.00 3.24 C ATOM 1712 CZ PHE A 103 21.995 -0.367 6.559 1.00 2.34 C ATOM 0 H PHE A 103 28.503 -1.614 7.795 1.00 15.33 H new ATOM 0 HA PHE A 103 25.919 -2.486 8.662 1.00 54.34 H new ATOM 0 HB2 PHE A 103 26.571 -0.181 7.817 1.00 64.32 H new ATOM 0 HB3 PHE A 103 26.706 -0.866 6.210 1.00 64.32 H new ATOM 0 HD1 PHE A 103 24.592 -2.104 5.298 1.00 34.33 H new ATOM 0 HD2 PHE A 103 24.514 0.639 8.557 1.00 32.35 H new ATOM 0 HE1 PHE A 103 22.185 -1.760 4.949 1.00 5.52 H new ATOM 0 HE2 PHE A 103 22.106 0.984 8.211 1.00 3.24 H new ATOM 0 HZ PHE A 103 20.936 -0.216 6.407 1.00 2.34 H new ATOM 1722 N HIS A 104 27.206 -3.751 5.929 1.00 53.53 N ATOM 1723 CA HIS A 104 27.043 -4.793 4.922 1.00 43.05 C ATOM 1724 C HIS A 104 26.963 -6.170 5.573 1.00 20.21 C ATOM 1725 O HIS A 104 26.157 -7.009 5.174 1.00 73.44 O ATOM 1726 CB HIS A 104 28.203 -4.754 3.925 1.00 35.03 C ATOM 1727 CG HIS A 104 28.548 -6.095 3.355 1.00 34.32 C ATOM 1728 ND1 HIS A 104 27.613 -6.934 2.785 1.00 41.32 N ATOM 1729 CD2 HIS A 104 29.734 -6.742 3.268 1.00 13.32 C ATOM 1730 CE1 HIS A 104 28.209 -8.038 2.373 1.00 21.53 C ATOM 1731 NE2 HIS A 104 29.496 -7.947 2.654 1.00 5.03 N ATOM 0 H HIS A 104 28.120 -3.298 5.923 1.00 53.53 H new ATOM 0 HA HIS A 104 26.110 -4.607 4.390 1.00 43.05 H new ATOM 0 HB2 HIS A 104 27.948 -4.077 3.110 1.00 35.03 H new ATOM 0 HB3 HIS A 104 29.082 -4.341 4.419 1.00 35.03 H new ATOM 0 HD2 HIS A 104 30.689 -6.378 3.617 1.00 13.32 H new ATOM 0 HE1 HIS A 104 27.726 -8.874 1.888 1.00 21.53 H new ATOM 0 HE2 HIS A 104 30.199 -8.657 2.448 1.00 5.03 H new ATOM 1739 N GLU A 105 27.805 -6.395 6.577 1.00 11.43 N ATOM 1740 CA GLU A 105 27.829 -7.671 7.282 1.00 2.11 C ATOM 1741 C GLU A 105 26.481 -7.957 7.936 1.00 15.24 C ATOM 1742 O GLU A 105 25.935 -9.053 7.809 1.00 61.25 O ATOM 1743 CB GLU A 105 28.933 -7.673 8.342 1.00 40.43 C ATOM 1744 CG GLU A 105 30.155 -8.485 7.946 1.00 10.52 C ATOM 1745 CD GLU A 105 31.221 -8.497 9.025 1.00 70.24 C ATOM 1746 OE1 GLU A 105 30.997 -9.139 10.072 1.00 34.31 O ATOM 1747 OE2 GLU A 105 32.279 -7.865 8.822 1.00 74.44 O ATOM 0 H GLU A 105 28.479 -5.711 6.920 1.00 11.43 H new ATOM 0 HA GLU A 105 28.033 -8.455 6.553 1.00 2.11 H new ATOM 0 HB2 GLU A 105 29.238 -6.645 8.539 1.00 40.43 H new ATOM 0 HB3 GLU A 105 28.530 -8.070 9.274 1.00 40.43 H new ATOM 0 HG2 GLU A 105 29.852 -9.509 7.729 1.00 10.52 H new ATOM 0 HG3 GLU A 105 30.577 -8.076 7.028 1.00 10.52 H new ATOM 1754 N LYS A 106 25.948 -6.963 8.639 1.00 52.43 N ATOM 1755 CA LYS A 106 24.663 -7.104 9.313 1.00 21.55 C ATOM 1756 C LYS A 106 23.533 -7.272 8.303 1.00 41.14 C ATOM 1757 O LYS A 106 22.542 -7.952 8.571 1.00 31.12 O ATOM 1758 CB LYS A 106 24.392 -5.887 10.200 1.00 2.11 C ATOM 1759 CG LYS A 106 23.559 -4.814 9.521 1.00 12.44 C ATOM 1760 CD LYS A 106 23.682 -3.478 10.235 1.00 41.43 C ATOM 1761 CE LYS A 106 23.113 -3.543 11.644 1.00 60.53 C ATOM 1762 NZ LYS A 106 23.463 -2.335 12.440 1.00 22.03 N ATOM 0 H LYS A 106 26.387 -6.050 8.757 1.00 52.43 H new ATOM 0 HA LYS A 106 24.705 -7.998 9.936 1.00 21.55 H new ATOM 0 HB2 LYS A 106 23.880 -6.214 11.105 1.00 2.11 H new ATOM 0 HB3 LYS A 106 25.343 -5.455 10.510 1.00 2.11 H new ATOM 0 HG2 LYS A 106 23.879 -4.705 8.485 1.00 12.44 H new ATOM 0 HG3 LYS A 106 22.514 -5.122 9.501 1.00 12.44 H new ATOM 0 HD2 LYS A 106 24.730 -3.183 10.278 1.00 41.43 H new ATOM 0 HD3 LYS A 106 23.158 -2.710 9.665 1.00 41.43 H new ATOM 0 HE2 LYS A 106 22.029 -3.643 11.593 1.00 60.53 H new ATOM 0 HE3 LYS A 106 23.492 -4.432 12.148 1.00 60.53 H new ATOM 0 HZ1 LYS A 106 23.432 -2.566 13.454 1.00 22.03 H new ATOM 0 HZ2 LYS A 106 24.420 -2.018 12.186 1.00 22.03 H new ATOM 0 HZ3 LYS A 106 22.782 -1.576 12.237 1.00 22.03 H new ATOM 1776 N LEU A 107 23.689 -6.649 7.140 1.00 61.45 N ATOM 1777 CA LEU A 107 22.682 -6.731 6.087 1.00 2.11 C ATOM 1778 C LEU A 107 22.532 -8.164 5.587 1.00 62.12 C ATOM 1779 O LEU A 107 21.431 -8.604 5.254 1.00 4.12 O ATOM 1780 CB LEU A 107 23.055 -5.809 4.925 1.00 63.34 C ATOM 1781 CG LEU A 107 21.891 -5.111 4.221 1.00 32.30 C ATOM 1782 CD1 LEU A 107 20.948 -6.134 3.607 1.00 34.32 C ATOM 1783 CD2 LEU A 107 21.144 -4.210 5.193 1.00 54.21 C ATOM 0 H LEU A 107 24.503 -6.082 6.902 1.00 61.45 H new ATOM 0 HA LEU A 107 21.728 -6.411 6.505 1.00 2.11 H new ATOM 0 HB2 LEU A 107 23.738 -5.046 5.298 1.00 63.34 H new ATOM 0 HB3 LEU A 107 23.603 -6.393 4.186 1.00 63.34 H new ATOM 0 HG LEU A 107 22.294 -4.492 3.419 1.00 32.30 H new ATOM 0 HD11 LEU A 107 20.126 -5.619 3.110 1.00 34.32 H new ATOM 0 HD12 LEU A 107 21.490 -6.738 2.879 1.00 34.32 H new ATOM 0 HD13 LEU A 107 20.551 -6.779 4.391 1.00 34.32 H new ATOM 0 HD21 LEU A 107 20.319 -3.721 4.675 1.00 54.21 H new ATOM 0 HD22 LEU A 107 20.753 -4.808 6.016 1.00 54.21 H new ATOM 0 HD23 LEU A 107 21.825 -3.454 5.585 1.00 54.21 H new ATOM 1795 N ARG A 108 23.646 -8.888 5.538 1.00 14.11 N ATOM 1796 CA ARG A 108 23.638 -10.272 5.080 1.00 52.14 C ATOM 1797 C ARG A 108 22.734 -11.131 5.960 1.00 45.05 C ATOM 1798 O ARG A 108 21.987 -11.974 5.463 1.00 42.00 O ATOM 1799 CB ARG A 108 25.058 -10.840 5.080 1.00 2.24 C ATOM 1800 CG ARG A 108 25.263 -11.971 4.086 1.00 54.44 C ATOM 1801 CD ARG A 108 26.714 -12.423 4.047 1.00 51.02 C ATOM 1802 NE ARG A 108 26.850 -13.783 3.532 1.00 52.22 N ATOM 1803 CZ ARG A 108 28.004 -14.438 3.482 1.00 3.04 C ATOM 1804 NH1 ARG A 108 29.117 -13.861 3.915 1.00 51.12 N ATOM 1805 NH2 ARG A 108 28.047 -15.673 3.000 1.00 24.40 N ATOM 0 H ARG A 108 24.565 -8.539 5.810 1.00 14.11 H new ATOM 0 HA ARG A 108 23.248 -10.289 4.062 1.00 52.14 H new ATOM 0 HB2 ARG A 108 25.761 -10.038 4.854 1.00 2.24 H new ATOM 0 HB3 ARG A 108 25.296 -11.200 6.081 1.00 2.24 H new ATOM 0 HG2 ARG A 108 24.626 -12.813 4.355 1.00 54.44 H new ATOM 0 HG3 ARG A 108 24.956 -11.644 3.093 1.00 54.44 H new ATOM 0 HD2 ARG A 108 27.290 -11.740 3.423 1.00 51.02 H new ATOM 0 HD3 ARG A 108 27.137 -12.371 5.050 1.00 51.02 H new ATOM 0 HE ARG A 108 26.012 -14.256 3.192 1.00 52.22 H new ATOM 0 HH11 ARG A 108 29.088 -12.912 4.288 1.00 51.12 H new ATOM 0 HH12 ARG A 108 30.002 -14.366 3.875 1.00 51.12 H new ATOM 0 HH21 ARG A 108 27.193 -16.121 2.667 1.00 24.40 H new ATOM 0 HH22 ARG A 108 28.934 -16.175 2.962 1.00 24.40 H new ATOM 1819 N ASP A 109 22.809 -10.911 7.268 1.00 64.55 N ATOM 1820 CA ASP A 109 21.998 -11.665 8.217 1.00 45.10 C ATOM 1821 C ASP A 109 20.515 -11.540 7.884 1.00 41.03 C ATOM 1822 O ASP A 109 19.786 -12.533 7.865 1.00 2.22 O ATOM 1823 CB ASP A 109 22.257 -11.175 9.643 1.00 53.45 C ATOM 1824 CG ASP A 109 21.498 -11.981 10.678 1.00 12.43 C ATOM 1825 OD1 ASP A 109 21.629 -13.223 10.677 1.00 54.24 O ATOM 1826 OD2 ASP A 109 20.774 -11.369 11.491 1.00 33.22 O ATOM 0 H ASP A 109 23.423 -10.217 7.695 1.00 64.55 H new ATOM 0 HA ASP A 109 22.280 -12.715 8.145 1.00 45.10 H new ATOM 0 HB2 ASP A 109 23.325 -11.230 9.855 1.00 53.45 H new ATOM 0 HB3 ASP A 109 21.970 -10.126 9.722 1.00 53.45 H new ATOM 1831 N LEU A 110 20.074 -10.315 7.622 1.00 0.40 N ATOM 1832 CA LEU A 110 18.677 -10.059 7.290 1.00 14.02 C ATOM 1833 C LEU A 110 18.258 -10.847 6.054 1.00 74.45 C ATOM 1834 O LEU A 110 17.234 -11.533 6.058 1.00 23.14 O ATOM 1835 CB LEU A 110 18.453 -8.564 7.056 1.00 13.01 C ATOM 1836 CG LEU A 110 17.062 -8.163 6.565 1.00 54.54 C ATOM 1837 CD1 LEU A 110 16.019 -8.426 7.640 1.00 71.01 C ATOM 1838 CD2 LEU A 110 17.044 -6.698 6.150 1.00 64.52 C ATOM 0 H LEU A 110 20.664 -9.483 7.633 1.00 0.40 H new ATOM 0 HA LEU A 110 18.064 -10.384 8.131 1.00 14.02 H new ATOM 0 HB2 LEU A 110 18.653 -8.037 7.989 1.00 13.01 H new ATOM 0 HB3 LEU A 110 19.187 -8.216 6.329 1.00 13.01 H new ATOM 0 HG LEU A 110 16.817 -8.770 5.694 1.00 54.54 H new ATOM 0 HD11 LEU A 110 15.035 -8.134 7.272 1.00 71.01 H new ATOM 0 HD12 LEU A 110 16.013 -9.487 7.889 1.00 71.01 H new ATOM 0 HD13 LEU A 110 16.260 -7.845 8.531 1.00 71.01 H new ATOM 0 HD21 LEU A 110 16.046 -6.430 5.803 1.00 64.52 H new ATOM 0 HD22 LEU A 110 17.311 -6.075 7.003 1.00 64.52 H new ATOM 0 HD23 LEU A 110 17.762 -6.539 5.346 1.00 64.52 H new ATOM 1850 N LEU A 111 19.055 -10.747 4.996 1.00 24.11 N ATOM 1851 CA LEU A 111 18.769 -11.453 3.752 1.00 51.21 C ATOM 1852 C LEU A 111 18.819 -12.963 3.959 1.00 63.25 C ATOM 1853 O LEU A 111 18.033 -13.706 3.370 1.00 22.45 O ATOM 1854 CB LEU A 111 19.767 -11.041 2.668 1.00 74.31 C ATOM 1855 CG LEU A 111 19.398 -9.801 1.852 1.00 23.34 C ATOM 1856 CD1 LEU A 111 18.983 -8.663 2.771 1.00 53.42 C ATOM 1857 CD2 LEU A 111 20.563 -9.379 0.969 1.00 1.51 C ATOM 0 H LEU A 111 19.905 -10.183 4.975 1.00 24.11 H new ATOM 0 HA LEU A 111 17.763 -11.182 3.432 1.00 51.21 H new ATOM 0 HB2 LEU A 111 20.734 -10.866 3.140 1.00 74.31 H new ATOM 0 HB3 LEU A 111 19.894 -11.878 1.982 1.00 74.31 H new ATOM 0 HG LEU A 111 18.553 -10.049 1.210 1.00 23.34 H new ATOM 0 HD11 LEU A 111 18.724 -7.789 2.174 1.00 53.42 H new ATOM 0 HD12 LEU A 111 18.119 -8.968 3.361 1.00 53.42 H new ATOM 0 HD13 LEU A 111 19.808 -8.415 3.438 1.00 53.42 H new ATOM 0 HD21 LEU A 111 20.283 -8.495 0.395 1.00 1.51 H new ATOM 0 HD22 LEU A 111 21.427 -9.149 1.592 1.00 1.51 H new ATOM 0 HD23 LEU A 111 20.814 -10.190 0.286 1.00 1.51 H new ATOM 1869 N ILE A 112 19.747 -13.410 4.799 1.00 50.44 N ATOM 1870 CA ILE A 112 19.897 -14.831 5.085 1.00 1.21 C ATOM 1871 C ILE A 112 18.635 -15.399 5.725 1.00 10.23 C ATOM 1872 O ILE A 112 18.246 -16.534 5.453 1.00 34.42 O ATOM 1873 CB ILE A 112 21.095 -15.094 6.017 1.00 52.21 C ATOM 1874 CG1 ILE A 112 22.410 -14.840 5.277 1.00 12.01 C ATOM 1875 CG2 ILE A 112 21.048 -16.518 6.551 1.00 14.52 C ATOM 1876 CD1 ILE A 112 23.546 -14.429 6.188 1.00 54.45 C ATOM 0 H ILE A 112 20.406 -12.808 5.293 1.00 50.44 H new ATOM 0 HA ILE A 112 20.073 -15.328 4.131 1.00 1.21 H new ATOM 0 HB ILE A 112 21.037 -14.408 6.862 1.00 52.21 H new ATOM 0 HG12 ILE A 112 22.695 -15.744 4.739 1.00 12.01 H new ATOM 0 HG13 ILE A 112 22.253 -14.061 4.531 1.00 12.01 H new ATOM 0 HG21 ILE A 112 21.901 -16.689 7.208 1.00 14.52 H new ATOM 0 HG22 ILE A 112 20.124 -16.667 7.110 1.00 14.52 H new ATOM 0 HG23 ILE A 112 21.085 -17.220 5.718 1.00 14.52 H new ATOM 0 HD11 ILE A 112 24.446 -14.266 5.596 1.00 54.45 H new ATOM 0 HD12 ILE A 112 23.281 -13.508 6.707 1.00 54.45 H new ATOM 0 HD13 ILE A 112 23.730 -15.217 6.918 1.00 54.45 H new ATOM 1888 N SER A 113 17.999 -14.600 6.576 1.00 33.23 N ATOM 1889 CA SER A 113 16.781 -15.024 7.257 1.00 12.32 C ATOM 1890 C SER A 113 15.597 -15.039 6.294 1.00 24.05 C ATOM 1891 O SER A 113 14.611 -15.740 6.518 1.00 71.14 O ATOM 1892 CB SER A 113 16.482 -14.096 8.436 1.00 34.04 C ATOM 1893 OG SER A 113 15.092 -14.052 8.711 1.00 40.45 O ATOM 0 H SER A 113 18.307 -13.656 6.810 1.00 33.23 H new ATOM 0 HA SER A 113 16.936 -16.036 7.630 1.00 12.32 H new ATOM 0 HB2 SER A 113 17.020 -14.440 9.319 1.00 34.04 H new ATOM 0 HB3 SER A 113 16.844 -13.092 8.214 1.00 34.04 H new ATOM 0 HG SER A 113 14.927 -13.454 9.469 1.00 40.45 H new ATOM 1899 N MET A 114 15.704 -14.260 5.223 1.00 63.10 N ATOM 1900 CA MET A 114 14.644 -14.184 4.225 1.00 71.42 C ATOM 1901 C MET A 114 14.928 -15.124 3.057 1.00 22.13 C ATOM 1902 O MET A 114 14.105 -15.273 2.155 1.00 31.20 O ATOM 1903 CB MET A 114 14.495 -12.750 3.715 1.00 3.53 C ATOM 1904 CG MET A 114 13.802 -11.823 4.701 1.00 23.24 C ATOM 1905 SD MET A 114 13.066 -10.384 3.903 1.00 45.22 S ATOM 1906 CE MET A 114 14.216 -9.100 4.393 1.00 74.31 C ATOM 0 H MET A 114 16.514 -13.673 5.024 1.00 63.10 H new ATOM 0 HA MET A 114 13.712 -14.492 4.699 1.00 71.42 H new ATOM 0 HB2 MET A 114 15.483 -12.350 3.486 1.00 3.53 H new ATOM 0 HB3 MET A 114 13.931 -12.762 2.782 1.00 3.53 H new ATOM 0 HG2 MET A 114 13.026 -12.376 5.230 1.00 23.24 H new ATOM 0 HG3 MET A 114 14.522 -11.490 5.448 1.00 23.24 H new ATOM 0 HE1 MET A 114 13.662 -8.215 4.705 1.00 74.31 H new ATOM 0 HE2 MET A 114 14.828 -9.456 5.222 1.00 74.31 H new ATOM 0 HE3 MET A 114 14.859 -8.846 3.550 1.00 74.31 H new ATOM 1916 N GLU A 115 16.098 -15.754 3.082 1.00 23.50 N ATOM 1917 CA GLU A 115 16.490 -16.678 2.024 1.00 30.51 C ATOM 1918 C GLU A 115 16.630 -15.951 0.690 1.00 1.53 C ATOM 1919 O GLU A 115 16.193 -16.446 -0.349 1.00 64.14 O ATOM 1920 CB GLU A 115 15.464 -17.807 1.897 1.00 44.25 C ATOM 1921 CG GLU A 115 15.038 -18.395 3.231 1.00 70.52 C ATOM 1922 CD GLU A 115 13.961 -19.453 3.084 1.00 1.15 C ATOM 1923 OE1 GLU A 115 13.564 -19.739 1.935 1.00 33.05 O ATOM 1924 OE2 GLU A 115 13.516 -19.994 4.118 1.00 54.01 O ATOM 0 H GLU A 115 16.790 -15.642 3.822 1.00 23.50 H new ATOM 0 HA GLU A 115 17.458 -17.104 2.289 1.00 30.51 H new ATOM 0 HB2 GLU A 115 14.583 -17.429 1.378 1.00 44.25 H new ATOM 0 HB3 GLU A 115 15.883 -18.600 1.277 1.00 44.25 H new ATOM 0 HG2 GLU A 115 15.906 -18.831 3.725 1.00 70.52 H new ATOM 0 HG3 GLU A 115 14.672 -17.596 3.876 1.00 70.52 H new ATOM 1931 N LEU A 116 17.241 -14.772 0.728 1.00 44.31 N ATOM 1932 CA LEU A 116 17.439 -13.974 -0.477 1.00 44.31 C ATOM 1933 C LEU A 116 18.912 -13.941 -0.873 1.00 2.25 C ATOM 1934 O LEU A 116 19.791 -13.804 -0.022 1.00 34.24 O ATOM 1935 CB LEU A 116 16.926 -12.549 -0.259 1.00 61.33 C ATOM 1936 CG LEU A 116 15.489 -12.278 -0.705 1.00 72.23 C ATOM 1937 CD1 LEU A 116 15.395 -12.262 -2.223 1.00 72.41 C ATOM 1938 CD2 LEU A 116 14.544 -13.319 -0.121 1.00 40.44 C ATOM 0 H LEU A 116 17.608 -14.348 1.580 1.00 44.31 H new ATOM 0 HA LEU A 116 16.875 -14.437 -1.286 1.00 44.31 H new ATOM 0 HB2 LEU A 116 17.006 -12.314 0.802 1.00 61.33 H new ATOM 0 HB3 LEU A 116 17.586 -11.862 -0.789 1.00 61.33 H new ATOM 0 HG LEU A 116 15.192 -11.297 -0.333 1.00 72.23 H new ATOM 0 HD11 LEU A 116 14.365 -12.068 -2.522 1.00 72.41 H new ATOM 0 HD12 LEU A 116 16.042 -11.479 -2.619 1.00 72.41 H new ATOM 0 HD13 LEU A 116 15.711 -13.228 -2.617 1.00 72.41 H new ATOM 0 HD21 LEU A 116 13.526 -13.111 -0.449 1.00 40.44 H new ATOM 0 HD22 LEU A 116 14.839 -14.311 -0.463 1.00 40.44 H new ATOM 0 HD23 LEU A 116 14.590 -13.282 0.967 1.00 40.44 H new ATOM 1950 N ALA A 117 19.174 -14.065 -2.170 1.00 2.15 N ATOM 1951 CA ALA A 117 20.540 -14.045 -2.678 1.00 61.02 C ATOM 1952 C ALA A 117 21.032 -12.615 -2.875 1.00 72.12 C ATOM 1953 O ALA A 117 20.288 -11.751 -3.341 1.00 1.51 O ATOM 1954 CB ALA A 117 20.628 -14.820 -3.984 1.00 60.25 C ATOM 0 H ALA A 117 18.458 -14.180 -2.888 1.00 2.15 H new ATOM 0 HA ALA A 117 21.183 -14.524 -1.940 1.00 61.02 H new ATOM 0 HB1 ALA A 117 21.654 -14.797 -4.352 1.00 60.25 H new ATOM 0 HB2 ALA A 117 20.326 -15.854 -3.815 1.00 60.25 H new ATOM 0 HB3 ALA A 117 19.967 -14.365 -4.722 1.00 60.25 H new ATOM 1960 N LEU A 118 22.288 -12.372 -2.518 1.00 12.24 N ATOM 1961 CA LEU A 118 22.879 -11.045 -2.655 1.00 21.34 C ATOM 1962 C LEU A 118 24.221 -11.119 -3.377 1.00 34.02 C ATOM 1963 O LEU A 118 25.143 -11.795 -2.924 1.00 24.13 O ATOM 1964 CB LEU A 118 23.062 -10.403 -1.279 1.00 5.53 C ATOM 1965 CG LEU A 118 23.378 -8.906 -1.273 1.00 61.45 C ATOM 1966 CD1 LEU A 118 22.125 -8.095 -1.566 1.00 63.52 C ATOM 1967 CD2 LEU A 118 23.983 -8.494 0.060 1.00 2.44 C ATOM 0 H LEU A 118 22.917 -13.076 -2.132 1.00 12.24 H new ATOM 0 HA LEU A 118 22.201 -10.431 -3.248 1.00 21.34 H new ATOM 0 HB2 LEU A 118 22.152 -10.564 -0.701 1.00 5.53 H new ATOM 0 HB3 LEU A 118 23.866 -10.926 -0.760 1.00 5.53 H new ATOM 0 HG LEU A 118 24.108 -8.705 -2.057 1.00 61.45 H new ATOM 0 HD11 LEU A 118 22.369 -7.033 -1.558 1.00 63.52 H new ATOM 0 HD12 LEU A 118 21.734 -8.370 -2.546 1.00 63.52 H new ATOM 0 HD13 LEU A 118 21.372 -8.300 -0.805 1.00 63.52 H new ATOM 0 HD21 LEU A 118 24.201 -7.426 0.046 1.00 2.44 H new ATOM 0 HD22 LEU A 118 23.277 -8.710 0.862 1.00 2.44 H new ATOM 0 HD23 LEU A 118 24.905 -9.051 0.229 1.00 2.44 H new ATOM 1979 N GLU A 119 24.321 -10.417 -4.501 1.00 72.24 N ATOM 1980 CA GLU A 119 25.550 -10.403 -5.285 1.00 5.30 C ATOM 1981 C GLU A 119 25.740 -9.055 -5.976 1.00 33.24 C ATOM 1982 O GLU A 119 24.797 -8.285 -6.159 1.00 33.14 O ATOM 1983 CB GLU A 119 25.531 -11.524 -6.326 1.00 41.44 C ATOM 1984 CG GLU A 119 26.013 -12.861 -5.790 1.00 33.21 C ATOM 1985 CD GLU A 119 27.521 -12.924 -5.649 1.00 62.43 C ATOM 1986 OE1 GLU A 119 28.039 -12.470 -4.607 1.00 74.41 O ATOM 1987 OE2 GLU A 119 28.184 -13.427 -6.580 1.00 71.04 O ATOM 0 H GLU A 119 23.566 -9.851 -4.889 1.00 72.24 H new ATOM 0 HA GLU A 119 26.386 -10.564 -4.604 1.00 5.30 H new ATOM 0 HB2 GLU A 119 24.516 -11.639 -6.705 1.00 41.44 H new ATOM 0 HB3 GLU A 119 26.156 -11.234 -7.171 1.00 41.44 H new ATOM 0 HG2 GLU A 119 25.553 -13.046 -4.819 1.00 33.21 H new ATOM 0 HG3 GLU A 119 25.681 -13.657 -6.457 1.00 33.21 H new ATOM 1994 N PRO A 120 26.988 -8.762 -6.368 1.00 64.33 N ATOM 1995 CA PRO A 120 27.332 -7.508 -7.045 1.00 13.13 C ATOM 1996 C PRO A 120 26.766 -7.438 -8.459 1.00 32.11 C ATOM 1997 O PRO A 120 26.241 -8.424 -8.977 1.00 12.41 O ATOM 1998 CB PRO A 120 28.862 -7.532 -7.082 1.00 32.14 C ATOM 1999 CG PRO A 120 29.219 -8.977 -7.026 1.00 22.22 C ATOM 2000 CD PRO A 120 28.161 -9.633 -6.183 1.00 20.34 C ATOM 0 HA PRO A 120 26.918 -6.641 -6.530 1.00 13.13 H new ATOM 0 HB2 PRO A 120 29.244 -7.065 -7.990 1.00 32.14 H new ATOM 0 HB3 PRO A 120 29.287 -6.986 -6.240 1.00 32.14 H new ATOM 0 HG2 PRO A 120 29.246 -9.411 -8.025 1.00 22.22 H new ATOM 0 HG3 PRO A 120 30.208 -9.118 -6.590 1.00 22.22 H new ATOM 0 HD2 PRO A 120 27.960 -10.653 -6.512 1.00 20.34 H new ATOM 0 HD3 PRO A 120 28.459 -9.689 -5.136 1.00 20.34 H new ATOM 2008 N SER A 121 26.877 -6.267 -9.079 1.00 34.53 N ATOM 2009 CA SER A 121 26.373 -6.069 -10.432 1.00 53.45 C ATOM 2010 C SER A 121 27.522 -5.893 -11.420 1.00 25.22 C ATOM 2011 O SER A 121 28.382 -5.030 -11.242 1.00 13.40 O ATOM 2012 CB SER A 121 25.452 -4.848 -10.482 1.00 52.14 C ATOM 2013 OG SER A 121 24.505 -4.880 -9.428 1.00 42.34 O ATOM 0 H SER A 121 27.311 -5.442 -8.666 1.00 34.53 H new ATOM 0 HA SER A 121 25.806 -6.956 -10.715 1.00 53.45 H new ATOM 0 HB2 SER A 121 26.047 -3.937 -10.413 1.00 52.14 H new ATOM 0 HB3 SER A 121 24.933 -4.819 -11.440 1.00 52.14 H new ATOM 0 HG SER A 121 23.599 -4.889 -9.802 1.00 42.34 H new ATOM 2019 N ASP A 122 27.531 -6.719 -12.461 1.00 1.44 N ATOM 2020 CA ASP A 122 28.574 -6.655 -13.478 1.00 71.40 C ATOM 2021 C ASP A 122 28.621 -5.273 -14.122 1.00 65.43 C ATOM 2022 O ASP A 122 29.644 -4.871 -14.678 1.00 20.42 O ATOM 2023 CB ASP A 122 28.338 -7.723 -14.548 1.00 11.32 C ATOM 2024 CG ASP A 122 29.450 -7.767 -15.577 1.00 2.20 C ATOM 2025 OD1 ASP A 122 30.437 -8.499 -15.353 1.00 60.25 O ATOM 2026 OD2 ASP A 122 29.334 -7.070 -16.606 1.00 54.32 O ATOM 0 H ASP A 122 26.828 -7.440 -12.622 1.00 1.44 H new ATOM 0 HA ASP A 122 29.532 -6.842 -12.994 1.00 71.40 H new ATOM 0 HB2 ASP A 122 28.250 -8.699 -14.070 1.00 11.32 H new ATOM 0 HB3 ASP A 122 27.390 -7.527 -15.050 1.00 11.32 H new ATOM 2031 N ASP A 123 27.509 -4.552 -14.045 1.00 52.21 N ATOM 2032 CA ASP A 123 27.423 -3.215 -14.621 1.00 2.43 C ATOM 2033 C ASP A 123 27.698 -2.149 -13.564 1.00 22.52 C ATOM 2034 O ASP A 123 27.228 -1.017 -13.672 1.00 41.31 O ATOM 2035 CB ASP A 123 26.043 -2.991 -15.241 1.00 44.23 C ATOM 2036 CG ASP A 123 25.581 -4.175 -16.068 1.00 44.40 C ATOM 2037 OD1 ASP A 123 26.447 -4.889 -16.615 1.00 73.41 O ATOM 2038 OD2 ASP A 123 24.354 -4.386 -16.169 1.00 5.22 O ATOM 0 H ASP A 123 26.654 -4.871 -13.589 1.00 52.21 H new ATOM 0 HA ASP A 123 28.181 -3.133 -15.400 1.00 2.43 H new ATOM 0 HB2 ASP A 123 25.319 -2.800 -14.449 1.00 44.23 H new ATOM 0 HB3 ASP A 123 26.070 -2.101 -15.870 1.00 44.23 H new ATOM 2043 N PHE A 124 28.462 -2.521 -12.541 1.00 53.25 N ATOM 2044 CA PHE A 124 28.798 -1.598 -11.463 1.00 74.14 C ATOM 2045 C PHE A 124 30.141 -0.923 -11.724 1.00 61.21 C ATOM 2046 O PHE A 124 31.193 -1.554 -11.628 1.00 42.51 O ATOM 2047 CB PHE A 124 28.837 -2.337 -10.124 1.00 72.34 C ATOM 2048 CG PHE A 124 28.791 -1.423 -8.933 1.00 61.34 C ATOM 2049 CD1 PHE A 124 27.867 -0.393 -8.870 1.00 2.43 C ATOM 2050 CD2 PHE A 124 29.671 -1.595 -7.877 1.00 45.05 C ATOM 2051 CE1 PHE A 124 27.824 0.450 -7.775 1.00 53.43 C ATOM 2052 CE2 PHE A 124 29.632 -0.755 -6.780 1.00 64.32 C ATOM 2053 CZ PHE A 124 28.706 0.268 -6.729 1.00 5.12 C ATOM 0 H PHE A 124 28.860 -3.454 -12.436 1.00 53.25 H new ATOM 0 HA PHE A 124 28.027 -0.829 -11.423 1.00 74.14 H new ATOM 0 HB2 PHE A 124 27.995 -3.028 -10.075 1.00 72.34 H new ATOM 0 HB3 PHE A 124 29.745 -2.938 -10.076 1.00 72.34 H new ATOM 0 HD1 PHE A 124 27.173 -0.247 -9.685 1.00 2.43 H new ATOM 0 HD2 PHE A 124 30.396 -2.395 -7.911 1.00 45.05 H new ATOM 0 HE1 PHE A 124 27.100 1.251 -7.738 1.00 53.43 H new ATOM 0 HE2 PHE A 124 30.325 -0.899 -5.964 1.00 64.32 H new ATOM 0 HZ PHE A 124 28.672 0.925 -5.872 1.00 5.12 H new ATOM 2063 N ASN A 125 30.096 0.363 -12.055 1.00 40.20 N ATOM 2064 CA ASN A 125 31.309 1.124 -12.331 1.00 40.40 C ATOM 2065 C ASN A 125 31.412 2.337 -11.411 1.00 34.02 C ATOM 2066 O ASN A 125 30.618 3.273 -11.510 1.00 0.03 O ATOM 2067 CB ASN A 125 31.331 1.576 -13.793 1.00 1.13 C ATOM 2068 CG ASN A 125 32.711 2.017 -14.241 1.00 23.50 C ATOM 2069 OD1 ASN A 125 33.697 1.830 -13.527 1.00 71.44 O ATOM 2070 ND2 ASN A 125 32.787 2.605 -15.429 1.00 5.43 N ATOM 0 H ASN A 125 29.233 0.900 -12.139 1.00 40.20 H new ATOM 0 HA ASN A 125 32.165 0.475 -12.145 1.00 40.40 H new ATOM 0 HB2 ASN A 125 30.990 0.759 -14.428 1.00 1.13 H new ATOM 0 HB3 ASN A 125 30.628 2.399 -13.927 1.00 1.13 H new ATOM 0 HD21 ASN A 125 33.689 2.923 -15.784 1.00 5.43 H new ATOM 0 HD22 ASN A 125 31.943 2.739 -15.987 1.00 5.43 H new ATOM 2077 N ASP A 126 32.394 2.313 -10.517 1.00 60.10 N ATOM 2078 CA ASP A 126 32.602 3.411 -9.580 1.00 21.42 C ATOM 2079 C ASP A 126 33.880 3.201 -8.773 1.00 15.14 C ATOM 2080 O ASP A 126 34.541 2.171 -8.897 1.00 44.43 O ATOM 2081 CB ASP A 126 31.404 3.539 -8.638 1.00 1.23 C ATOM 2082 CG ASP A 126 31.277 2.356 -7.698 1.00 53.22 C ATOM 2083 OD1 ASP A 126 31.734 1.255 -8.067 1.00 24.52 O ATOM 2084 OD2 ASP A 126 30.719 2.532 -6.595 1.00 35.23 O ATOM 0 H ASP A 126 33.059 1.545 -10.421 1.00 60.10 H new ATOM 0 HA ASP A 126 32.703 4.332 -10.154 1.00 21.42 H new ATOM 0 HB2 ASP A 126 31.501 4.454 -8.054 1.00 1.23 H new ATOM 0 HB3 ASP A 126 30.491 3.631 -9.226 1.00 1.23 H new ATOM 2089 N GLU A 127 34.220 4.185 -7.946 1.00 55.42 N ATOM 2090 CA GLU A 127 35.419 4.109 -7.121 1.00 31.45 C ATOM 2091 C GLU A 127 35.057 4.039 -5.640 1.00 34.02 C ATOM 2092 O GLU A 127 35.212 5.003 -4.891 1.00 4.54 O ATOM 2093 CB GLU A 127 36.322 5.317 -7.380 1.00 34.34 C ATOM 2094 CG GLU A 127 36.689 5.499 -8.843 1.00 12.43 C ATOM 2095 CD GLU A 127 37.750 6.562 -9.049 1.00 45.23 C ATOM 2096 OE1 GLU A 127 37.504 7.727 -8.672 1.00 42.12 O ATOM 2097 OE2 GLU A 127 38.827 6.230 -9.588 1.00 73.40 O ATOM 0 H GLU A 127 33.682 5.044 -7.830 1.00 55.42 H new ATOM 0 HA GLU A 127 35.956 3.199 -7.390 1.00 31.45 H new ATOM 0 HB2 GLU A 127 35.821 6.218 -7.025 1.00 34.34 H new ATOM 0 HB3 GLU A 127 37.236 5.209 -6.795 1.00 34.34 H new ATOM 0 HG2 GLU A 127 37.047 4.551 -9.245 1.00 12.43 H new ATOM 0 HG3 GLU A 127 35.796 5.768 -9.407 1.00 12.43 H new ATOM 2104 N PRO A 128 34.560 2.870 -5.207 1.00 5.41 N ATOM 2105 CA PRO A 128 34.165 2.646 -3.813 1.00 64.12 C ATOM 2106 C PRO A 128 35.364 2.598 -2.871 1.00 53.14 C ATOM 2107 O PRO A 128 36.493 2.356 -3.299 1.00 34.03 O ATOM 2108 CB PRO A 128 33.466 1.285 -3.858 1.00 14.23 C ATOM 2109 CG PRO A 128 34.051 0.597 -5.042 1.00 74.05 C ATOM 2110 CD PRO A 128 34.348 1.678 -6.044 1.00 53.15 C ATOM 0 HA PRO A 128 33.537 3.451 -3.432 1.00 64.12 H new ATOM 0 HB2 PRO A 128 33.643 0.719 -2.944 1.00 14.23 H new ATOM 0 HB3 PRO A 128 32.387 1.398 -3.959 1.00 14.23 H new ATOM 0 HG2 PRO A 128 34.958 0.057 -4.771 1.00 74.05 H new ATOM 0 HG3 PRO A 128 33.355 -0.134 -5.452 1.00 74.05 H new ATOM 0 HD2 PRO A 128 35.230 1.443 -6.639 1.00 53.15 H new ATOM 0 HD3 PRO A 128 33.522 1.818 -6.741 1.00 53.15 H new ATOM 2118 N VAL A 129 35.111 2.830 -1.587 1.00 51.12 N ATOM 2119 CA VAL A 129 36.169 2.812 -0.584 1.00 60.23 C ATOM 2120 C VAL A 129 36.952 1.505 -0.635 1.00 61.33 C ATOM 2121 O VAL A 129 36.443 0.480 -1.091 1.00 44.42 O ATOM 2122 CB VAL A 129 35.601 3.002 0.835 1.00 52.14 C ATOM 2123 CG1 VAL A 129 35.203 4.453 1.061 1.00 60.33 C ATOM 2124 CG2 VAL A 129 34.417 2.074 1.063 1.00 41.21 C ATOM 0 H VAL A 129 34.182 3.033 -1.217 1.00 51.12 H new ATOM 0 HA VAL A 129 36.837 3.642 -0.814 1.00 60.23 H new ATOM 0 HB VAL A 129 36.378 2.747 1.556 1.00 52.14 H new ATOM 0 HG11 VAL A 129 34.804 4.568 2.069 1.00 60.33 H new ATOM 0 HG12 VAL A 129 36.077 5.093 0.942 1.00 60.33 H new ATOM 0 HG13 VAL A 129 34.442 4.739 0.335 1.00 60.33 H new ATOM 0 HG21 VAL A 129 34.028 2.221 2.070 1.00 41.21 H new ATOM 0 HG22 VAL A 129 33.636 2.296 0.336 1.00 41.21 H new ATOM 0 HG23 VAL A 129 34.738 1.039 0.946 1.00 41.21 H new ATOM 2134 N LYS A 130 38.194 1.546 -0.164 1.00 14.52 N ATOM 2135 CA LYS A 130 39.049 0.365 -0.153 1.00 54.51 C ATOM 2136 C LYS A 130 38.988 -0.338 1.199 1.00 74.21 C ATOM 2137 O LYS A 130 39.662 0.061 2.149 1.00 11.32 O ATOM 2138 CB LYS A 130 40.494 0.754 -0.473 1.00 32.00 C ATOM 2139 CG LYS A 130 41.020 1.895 0.381 1.00 62.25 C ATOM 2140 CD LYS A 130 42.398 1.583 0.940 1.00 30.22 C ATOM 2141 CE LYS A 130 42.924 2.725 1.795 1.00 0.34 C ATOM 2142 NZ LYS A 130 44.210 2.375 2.459 1.00 64.13 N ATOM 0 H LYS A 130 38.631 2.386 0.216 1.00 14.52 H new ATOM 0 HA LYS A 130 38.687 -0.323 -0.917 1.00 54.51 H new ATOM 0 HB2 LYS A 130 41.135 -0.117 -0.336 1.00 32.00 H new ATOM 0 HB3 LYS A 130 40.561 1.037 -1.524 1.00 32.00 H new ATOM 0 HG2 LYS A 130 41.066 2.806 -0.216 1.00 62.25 H new ATOM 0 HG3 LYS A 130 40.328 2.086 1.201 1.00 62.25 H new ATOM 0 HD2 LYS A 130 42.352 0.672 1.536 1.00 30.22 H new ATOM 0 HD3 LYS A 130 43.090 1.393 0.120 1.00 30.22 H new ATOM 0 HE2 LYS A 130 43.065 3.609 1.173 1.00 0.34 H new ATOM 0 HE3 LYS A 130 42.183 2.983 2.552 1.00 0.34 H new ATOM 0 HZ1 LYS A 130 44.131 2.547 3.482 1.00 64.13 H new ATOM 0 HZ2 LYS A 130 44.425 1.371 2.292 1.00 64.13 H new ATOM 0 HZ3 LYS A 130 44.974 2.962 2.067 1.00 64.13 H new ATOM 2156 N LEU A 131 38.177 -1.388 1.278 1.00 1.33 N ATOM 2157 CA LEU A 131 38.029 -2.149 2.514 1.00 5.42 C ATOM 2158 C LEU A 131 39.320 -2.885 2.858 1.00 43.02 C ATOM 2159 O LEU A 131 39.634 -3.095 4.029 1.00 12.05 O ATOM 2160 CB LEU A 131 36.878 -3.147 2.387 1.00 34.10 C ATOM 2161 CG LEU A 131 35.470 -2.571 2.543 1.00 32.12 C ATOM 2162 CD1 LEU A 131 35.323 -1.877 3.888 1.00 3.42 C ATOM 2163 CD2 LEU A 131 35.158 -1.608 1.407 1.00 65.01 C ATOM 0 H LEU A 131 37.612 -1.731 0.501 1.00 1.33 H new ATOM 0 HA LEU A 131 37.806 -1.448 3.319 1.00 5.42 H new ATOM 0 HB2 LEU A 131 36.946 -3.628 1.411 1.00 34.10 H new ATOM 0 HB3 LEU A 131 37.015 -3.927 3.136 1.00 34.10 H new ATOM 0 HG LEU A 131 34.756 -3.393 2.502 1.00 32.12 H new ATOM 0 HD11 LEU A 131 34.315 -1.473 3.981 1.00 3.42 H new ATOM 0 HD12 LEU A 131 35.502 -2.594 4.689 1.00 3.42 H new ATOM 0 HD13 LEU A 131 36.047 -1.065 3.960 1.00 3.42 H new ATOM 0 HD21 LEU A 131 34.152 -1.208 1.535 1.00 65.01 H new ATOM 0 HD22 LEU A 131 35.878 -0.789 1.416 1.00 65.01 H new ATOM 0 HD23 LEU A 131 35.220 -2.136 0.455 1.00 65.01 H new ATOM 2175 N SER A 132 40.066 -3.273 1.828 1.00 22.13 N ATOM 2176 CA SER A 132 41.323 -3.987 2.021 1.00 33.41 C ATOM 2177 C SER A 132 42.490 -3.012 2.140 1.00 54.22 C ATOM 2178 O SER A 132 43.382 -2.988 1.293 1.00 61.52 O ATOM 2179 CB SER A 132 41.567 -4.954 0.861 1.00 64.12 C ATOM 2180 OG SER A 132 42.707 -5.762 1.101 1.00 12.45 O ATOM 0 H SER A 132 39.822 -3.105 0.852 1.00 22.13 H new ATOM 0 HA SER A 132 41.251 -4.554 2.949 1.00 33.41 H new ATOM 0 HB2 SER A 132 40.691 -5.588 0.721 1.00 64.12 H new ATOM 0 HB3 SER A 132 41.704 -4.392 -0.063 1.00 64.12 H new ATOM 0 HG SER A 132 42.840 -6.372 0.346 1.00 12.45 H new ATOM 2186 N ALA A 133 42.475 -2.207 3.198 1.00 72.44 N ATOM 2187 CA ALA A 133 43.532 -1.231 3.429 1.00 13.35 C ATOM 2188 C ALA A 133 44.875 -1.918 3.649 1.00 45.45 C ATOM 2189 O ALA A 133 45.357 -2.014 4.778 1.00 62.20 O ATOM 2190 CB ALA A 133 43.186 -0.352 4.622 1.00 14.41 C ATOM 0 H ALA A 133 41.743 -2.212 3.908 1.00 72.44 H new ATOM 0 HA ALA A 133 43.615 -0.605 2.541 1.00 13.35 H new ATOM 0 HB1 ALA A 133 43.984 0.373 4.784 1.00 14.41 H new ATOM 0 HB2 ALA A 133 42.252 0.174 4.427 1.00 14.41 H new ATOM 0 HB3 ALA A 133 43.074 -0.973 5.511 1.00 14.41 H new TER 2196 ALA A 133