USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1094 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 40:sc= 0.954 USER MOD Set 2.1: A 33 GLN : amide:sc= -2.23! C(o=-2.2!,f=-3.3!) USER MOD Set 2.2: A 37 GLN :FLIP amide:sc=-0.00204 F(o=-3.9,f=-2.2) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0843 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0772 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -151:sc= -0.821! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 16 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.743) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 120:sc= -0.184 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 40:sc= 0.626 USER MOD Single : A 31 THR OG1 : rot -124:sc= 0.266 USER MOD Single : A 32 THR OG1 : rot -140:sc= -0.179 USER MOD Single : A 40 THR OG1 : rot -59:sc= -0.227 USER MOD Single : A 41 HIS : no HD1:sc= -0.254 K(o=-0.25,f=-0.97) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -10.3! C(o=-10!,f=-15!) USER MOD Single : A 56 MET CE :methyl 140:sc=-0.00607 (180deg=-0.737) USER MOD Single : A 60 ASN : amide:sc= 0.882 K(o=0.88,f=-0.56) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -8:sc= 0.49 USER MOD Single : A 72 LYS NZ :NH3+ 122:sc= -0.0688 (180deg=-0.538) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -7.21! C(o=-13!,f=-7.2!) USER MOD Single : A 77 LYS NZ :NH3+ -178:sc= 0.168 (180deg=0.167) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -41:sc= 0.805 USER MOD Single : A 87 HIS : no HE2:sc= -2.5! C(o=-2.5!,f=-3.1!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -2.98! USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0918 USER MOD Single : A 98 LYS NZ :NH3+ 160:sc= 1.06 (180deg=0.744) USER MOD Single : A 99 ASN : amide:sc= 0.359 X(o=0.36,f=0) USER MOD Single : A 102 THR OG1 : rot 108:sc= 0.925 USER MOD Single : A 105 CYS SG : rot 180:sc= -1.41 USER MOD Single : A 106 MET CE :methyl 141:sc= -2.96 (180deg=-5.8!) USER MOD Single : A 119 THR OG1 : rot 78:sc= 1.04 USER MOD Single : A 121 GLN : amide:sc= -0.0281 K(o=-0.028,f=-1.4) USER MOD Single : A 124 GLN : amide:sc= -1.74 K(o=-1.7,f=-2.3) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -179:sc= -3.12! (180deg=-3.12!) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot 97:sc= 0.165 USER MOD Single : A 137 TYR OH : rot 168:sc= -0.851 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot -52:sc= 0.413 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.058 -11.976 11.472 1.00 0.00 N ATOM 2 CA GLY A 1 25.954 -12.845 10.315 1.00 0.00 C ATOM 3 C GLY A 1 27.272 -12.995 9.582 1.00 0.00 C ATOM 4 O GLY A 1 28.293 -12.459 10.011 1.00 0.00 O ATOM 0 H1 GLY A 1 25.597 -12.427 12.288 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.061 -11.807 11.690 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.591 -11.070 11.268 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.605 -13.827 10.633 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.205 -12.446 9.631 1.00 0.00 H new ATOM 8 N SER A 2 27.250 -13.728 8.473 1.00 0.00 N ATOM 9 CA SER A 2 28.454 -13.952 7.681 1.00 0.00 C ATOM 10 C SER A 2 28.639 -12.845 6.648 1.00 0.00 C ATOM 11 O SER A 2 29.744 -12.339 6.454 1.00 0.00 O ATOM 12 CB SER A 2 28.385 -15.312 6.983 1.00 0.00 C ATOM 13 OG SER A 2 29.616 -15.625 6.355 1.00 0.00 O ATOM 0 H SER A 2 26.412 -14.177 8.103 1.00 0.00 H new ATOM 0 HA SER A 2 29.310 -13.941 8.355 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.137 -16.085 7.710 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.586 -15.304 6.241 1.00 0.00 H new ATOM 0 HG SER A 2 29.547 -16.499 5.917 1.00 0.00 H new ATOM 19 N SER A 3 27.547 -12.475 5.985 1.00 0.00 N ATOM 20 CA SER A 3 27.588 -11.431 4.968 1.00 0.00 C ATOM 21 C SER A 3 27.547 -10.047 5.608 1.00 0.00 C ATOM 22 O SER A 3 26.820 -9.819 6.574 1.00 0.00 O ATOM 23 CB SER A 3 26.417 -11.591 3.996 1.00 0.00 C ATOM 24 OG SER A 3 26.711 -12.552 2.997 1.00 0.00 O ATOM 0 H SER A 3 26.624 -12.883 6.134 1.00 0.00 H new ATOM 0 HA SER A 3 28.524 -11.530 4.418 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.524 -11.893 4.544 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.195 -10.632 3.528 1.00 0.00 H new ATOM 0 HG SER A 3 25.947 -12.637 2.390 1.00 0.00 H new ATOM 30 N GLY A 4 28.334 -9.125 5.061 1.00 0.00 N ATOM 31 CA GLY A 4 28.374 -7.775 5.591 1.00 0.00 C ATOM 32 C GLY A 4 27.892 -6.745 4.589 1.00 0.00 C ATOM 33 O GLY A 4 28.460 -6.610 3.505 1.00 0.00 O ATOM 0 H GLY A 4 28.944 -9.289 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.757 -7.722 6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.394 -7.536 5.891 1.00 0.00 H new ATOM 37 N SER A 5 26.841 -6.017 4.950 1.00 0.00 N ATOM 38 CA SER A 5 26.279 -4.997 4.072 1.00 0.00 C ATOM 39 C SER A 5 25.847 -3.770 4.871 1.00 0.00 C ATOM 40 O SER A 5 25.223 -3.891 5.925 1.00 0.00 O ATOM 41 CB SER A 5 25.086 -5.561 3.298 1.00 0.00 C ATOM 42 OG SER A 5 25.458 -6.709 2.555 1.00 0.00 O ATOM 0 H SER A 5 26.361 -6.114 5.845 1.00 0.00 H new ATOM 0 HA SER A 5 27.052 -4.695 3.365 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.286 -5.817 3.992 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.692 -4.800 2.625 1.00 0.00 H new ATOM 0 HG SER A 5 24.678 -7.052 2.070 1.00 0.00 H new ATOM 48 N SER A 6 26.184 -2.591 4.359 1.00 0.00 N ATOM 49 CA SER A 6 25.835 -1.341 5.026 1.00 0.00 C ATOM 50 C SER A 6 24.423 -0.901 4.649 1.00 0.00 C ATOM 51 O SER A 6 23.894 -1.295 3.611 1.00 0.00 O ATOM 52 CB SER A 6 26.838 -0.246 4.659 1.00 0.00 C ATOM 53 OG SER A 6 26.389 1.024 5.099 1.00 0.00 O ATOM 0 H SER A 6 26.698 -2.474 3.486 1.00 0.00 H new ATOM 0 HA SER A 6 25.869 -1.509 6.102 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.806 -0.469 5.109 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.984 -0.230 3.579 1.00 0.00 H new ATOM 0 HG SER A 6 27.048 1.707 4.854 1.00 0.00 H new ATOM 59 N GLY A 7 23.819 -0.079 5.503 1.00 0.00 N ATOM 60 CA GLY A 7 22.475 0.402 5.244 1.00 0.00 C ATOM 61 C GLY A 7 21.411 -0.584 5.684 1.00 0.00 C ATOM 62 O GLY A 7 21.723 -1.627 6.259 1.00 0.00 O ATOM 0 H GLY A 7 24.237 0.262 6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.325 1.349 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.363 0.601 4.178 1.00 0.00 H new ATOM 66 N ILE A 8 20.152 -0.253 5.416 1.00 0.00 N ATOM 67 CA ILE A 8 19.040 -1.117 5.790 1.00 0.00 C ATOM 68 C ILE A 8 18.445 -1.808 4.567 1.00 0.00 C ATOM 69 O ILE A 8 18.260 -1.203 3.511 1.00 0.00 O ATOM 70 CB ILE A 8 17.930 -0.328 6.510 1.00 0.00 C ATOM 71 CG1 ILE A 8 18.152 -0.359 8.023 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.563 -0.894 6.157 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.875 -0.229 8.823 1.00 0.00 C ATOM 0 H ILE A 8 19.877 0.607 4.941 1.00 0.00 H new ATOM 0 HA ILE A 8 19.440 -1.868 6.471 1.00 0.00 H new ATOM 0 HB ILE A 8 17.968 0.709 6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.646 -1.293 8.291 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.829 0.450 8.300 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.789 -0.326 6.674 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.407 -0.824 5.081 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.512 -1.939 6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 8 17.108 -0.259 9.887 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.391 0.718 8.584 1.00 0.00 H new ATOM 0 HD13 ILE A 8 16.205 -1.052 8.575 1.00 0.00 H new ATOM 85 N PRO A 9 18.136 -3.105 4.712 1.00 0.00 N ATOM 86 CA PRO A 9 17.555 -3.906 3.630 1.00 0.00 C ATOM 87 C PRO A 9 16.060 -3.659 3.465 1.00 0.00 C ATOM 88 O PRO A 9 15.361 -3.344 4.429 1.00 0.00 O ATOM 89 CB PRO A 9 17.813 -5.347 4.078 1.00 0.00 C ATOM 90 CG PRO A 9 17.862 -5.278 5.566 1.00 0.00 C ATOM 91 CD PRO A 9 18.329 -3.889 5.943 1.00 0.00 C ATOM 0 HA PRO A 9 17.992 -3.661 2.662 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.021 -6.015 3.738 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.749 -5.728 3.668 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.879 -5.480 5.992 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.542 -6.032 5.962 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.748 -3.483 6.771 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.373 -3.890 6.257 1.00 0.00 H new ATOM 99 N THR A 10 15.573 -3.804 2.236 1.00 0.00 N ATOM 100 CA THR A 10 14.160 -3.596 1.944 1.00 0.00 C ATOM 101 C THR A 10 13.653 -4.613 0.928 1.00 0.00 C ATOM 102 O THR A 10 14.426 -5.410 0.395 1.00 0.00 O ATOM 103 CB THR A 10 13.901 -2.176 1.406 1.00 0.00 C ATOM 104 OG1 THR A 10 14.684 -1.948 0.228 1.00 0.00 O ATOM 105 CG2 THR A 10 14.239 -1.129 2.456 1.00 0.00 C ATOM 0 H THR A 10 16.137 -4.065 1.427 1.00 0.00 H new ATOM 0 HA THR A 10 13.621 -3.725 2.882 1.00 0.00 H new ATOM 0 HB THR A 10 12.842 -2.092 1.160 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.512 -1.044 -0.109 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.048 -0.134 2.053 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.621 -1.287 3.340 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.291 -1.214 2.729 1.00 0.00 H new ATOM 113 N CYS A 11 12.352 -4.580 0.665 1.00 0.00 N ATOM 114 CA CYS A 11 11.741 -5.500 -0.288 1.00 0.00 C ATOM 115 C CYS A 11 10.617 -4.817 -1.060 1.00 0.00 C ATOM 116 O CYS A 11 10.353 -3.629 -0.872 1.00 0.00 O ATOM 117 CB CYS A 11 11.202 -6.734 0.436 1.00 0.00 C ATOM 118 SG CYS A 11 11.242 -8.247 -0.553 1.00 0.00 S ATOM 0 H CYS A 11 11.700 -3.926 1.098 1.00 0.00 H new ATOM 0 HA CYS A 11 12.508 -5.810 -0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.783 -6.891 1.345 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.174 -6.541 0.744 1.00 0.00 H new ATOM 0 HG CYS A 11 10.283 -9.038 -0.174 1.00 0.00 H new ATOM 124 N LYS A 12 9.958 -5.575 -1.930 1.00 0.00 N ATOM 125 CA LYS A 12 8.861 -5.044 -2.731 1.00 0.00 C ATOM 126 C LYS A 12 7.555 -5.761 -2.409 1.00 0.00 C ATOM 127 O LYS A 12 7.520 -6.988 -2.300 1.00 0.00 O ATOM 128 CB LYS A 12 9.178 -5.183 -4.222 1.00 0.00 C ATOM 129 CG LYS A 12 7.980 -4.939 -5.123 1.00 0.00 C ATOM 130 CD LYS A 12 8.389 -4.864 -6.585 1.00 0.00 C ATOM 131 CE LYS A 12 9.003 -3.515 -6.924 1.00 0.00 C ATOM 132 NZ LYS A 12 9.290 -3.385 -8.379 1.00 0.00 N ATOM 0 H LYS A 12 10.165 -6.560 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 12 8.744 -3.988 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.968 -4.480 -4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.566 -6.184 -4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.253 -5.740 -4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.489 -4.010 -4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.105 -5.656 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.518 -5.037 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.325 -2.720 -6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.926 -3.384 -6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.708 -2.452 -8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.957 -4.128 -8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.406 -3.484 -8.917 1.00 0.00 H new ATOM 146 N ILE A 13 6.483 -4.991 -2.260 1.00 0.00 N ATOM 147 CA ILE A 13 5.174 -5.554 -1.954 1.00 0.00 C ATOM 148 C ILE A 13 4.199 -5.339 -3.106 1.00 0.00 C ATOM 149 O ILE A 13 3.426 -4.380 -3.110 1.00 0.00 O ATOM 150 CB ILE A 13 4.581 -4.938 -0.673 1.00 0.00 C ATOM 151 CG1 ILE A 13 5.520 -5.171 0.513 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.206 -5.524 -0.390 1.00 0.00 C ATOM 153 CD1 ILE A 13 4.987 -4.630 1.821 1.00 0.00 C ATOM 0 H ILE A 13 6.495 -3.975 -2.346 1.00 0.00 H new ATOM 0 HA ILE A 13 5.320 -6.623 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 13 4.473 -3.864 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.701 -6.241 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.482 -4.705 0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.801 -5.078 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.541 -5.311 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.290 -6.603 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.704 -4.831 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.833 -3.554 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.039 -5.115 2.056 1.00 0.00 H new ATOM 165 N THR A 14 4.239 -6.238 -4.084 1.00 0.00 N ATOM 166 CA THR A 14 3.359 -6.148 -5.242 1.00 0.00 C ATOM 167 C THR A 14 2.067 -6.924 -5.013 1.00 0.00 C ATOM 168 O THR A 14 2.039 -8.151 -5.125 1.00 0.00 O ATOM 169 CB THR A 14 4.046 -6.681 -6.513 1.00 0.00 C ATOM 170 OG1 THR A 14 5.465 -6.512 -6.411 1.00 0.00 O ATOM 171 CG2 THR A 14 3.533 -5.959 -7.750 1.00 0.00 C ATOM 0 H THR A 14 4.872 -7.038 -4.097 1.00 0.00 H new ATOM 0 HA THR A 14 3.126 -5.092 -5.380 1.00 0.00 H new ATOM 0 HB THR A 14 3.812 -7.741 -6.607 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.894 -6.855 -7.222 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.033 -6.353 -8.635 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.458 -6.113 -7.842 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.740 -4.893 -7.661 1.00 0.00 H new ATOM 179 N LEU A 15 0.998 -6.203 -4.693 1.00 0.00 N ATOM 180 CA LEU A 15 -0.299 -6.825 -4.449 1.00 0.00 C ATOM 181 C LEU A 15 -1.297 -6.449 -5.540 1.00 0.00 C ATOM 182 O LEU A 15 -1.536 -5.270 -5.798 1.00 0.00 O ATOM 183 CB LEU A 15 -0.839 -6.405 -3.081 1.00 0.00 C ATOM 184 CG LEU A 15 0.178 -6.372 -1.939 1.00 0.00 C ATOM 185 CD1 LEU A 15 -0.342 -5.528 -0.786 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.497 -7.784 -1.469 1.00 0.00 C ATOM 0 H LEU A 15 1.004 -5.188 -4.596 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.164 -7.907 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.281 -5.413 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.643 -7.087 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 15 1.097 -5.917 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.395 -5.516 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.519 -4.509 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.275 -5.953 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.222 -7.742 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.415 -8.265 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.913 -8.358 -2.297 1.00 0.00 H new ATOM 198 N LYS A 16 -1.878 -7.461 -6.176 1.00 0.00 N ATOM 199 CA LYS A 16 -2.853 -7.238 -7.237 1.00 0.00 C ATOM 200 C LYS A 16 -4.178 -7.919 -6.910 1.00 0.00 C ATOM 201 O LYS A 16 -4.323 -9.129 -7.082 1.00 0.00 O ATOM 202 CB LYS A 16 -2.315 -7.761 -8.571 1.00 0.00 C ATOM 203 CG LYS A 16 -1.370 -6.795 -9.266 1.00 0.00 C ATOM 204 CD LYS A 16 -1.109 -7.209 -10.704 1.00 0.00 C ATOM 205 CE LYS A 16 -0.088 -8.334 -10.784 1.00 0.00 C ATOM 206 NZ LYS A 16 -0.733 -9.674 -10.719 1.00 0.00 N ATOM 0 H LYS A 16 -1.691 -8.443 -5.975 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.026 -6.165 -7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.796 -8.704 -8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.154 -7.975 -9.233 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.795 -5.791 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.427 -6.752 -8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.042 -7.530 -11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.751 -6.350 -11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.476 -8.247 -11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.626 -8.235 -9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.287 -10.238 -9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.746 -9.562 -10.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.617 -10.160 -11.631 1.00 0.00 H new ATOM 220 N GLU A 17 -5.142 -7.134 -6.438 1.00 0.00 N ATOM 221 CA GLU A 17 -6.455 -7.663 -6.088 1.00 0.00 C ATOM 222 C GLU A 17 -7.557 -6.926 -6.843 1.00 0.00 C ATOM 223 O GLU A 17 -7.375 -5.789 -7.279 1.00 0.00 O ATOM 224 CB GLU A 17 -6.690 -7.548 -4.580 1.00 0.00 C ATOM 225 CG GLU A 17 -7.655 -8.587 -4.034 1.00 0.00 C ATOM 226 CD GLU A 17 -7.377 -8.936 -2.585 1.00 0.00 C ATOM 227 OE1 GLU A 17 -7.787 -8.159 -1.698 1.00 0.00 O ATOM 228 OE2 GLU A 17 -6.750 -9.988 -2.338 1.00 0.00 O ATOM 0 H GLU A 17 -5.038 -6.130 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.483 -8.714 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.735 -7.644 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.075 -6.553 -4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.675 -8.213 -4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.591 -9.491 -4.640 1.00 0.00 H new ATOM 235 N THR A 18 -8.703 -7.583 -6.995 1.00 0.00 N ATOM 236 CA THR A 18 -9.835 -6.993 -7.698 1.00 0.00 C ATOM 237 C THR A 18 -10.943 -6.601 -6.727 1.00 0.00 C ATOM 238 O THR A 18 -11.098 -7.211 -5.668 1.00 0.00 O ATOM 239 CB THR A 18 -10.409 -7.960 -8.750 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.361 -8.432 -9.605 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.483 -7.277 -9.584 1.00 0.00 C ATOM 0 H THR A 18 -8.871 -8.524 -6.640 1.00 0.00 H new ATOM 0 HA THR A 18 -9.463 -6.100 -8.200 1.00 0.00 H new ATOM 0 HB THR A 18 -10.859 -8.804 -8.228 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.734 -9.048 -10.270 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.874 -7.980 -10.320 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.292 -6.945 -8.934 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.053 -6.416 -10.096 1.00 0.00 H new ATOM 249 N PHE A 19 -11.711 -5.581 -7.093 1.00 0.00 N ATOM 250 CA PHE A 19 -12.805 -5.108 -6.253 1.00 0.00 C ATOM 251 C PHE A 19 -14.126 -5.130 -7.016 1.00 0.00 C ATOM 252 O PHE A 19 -14.170 -4.835 -8.212 1.00 0.00 O ATOM 253 CB PHE A 19 -12.516 -3.692 -5.751 1.00 0.00 C ATOM 254 CG PHE A 19 -11.396 -3.626 -4.753 1.00 0.00 C ATOM 255 CD1 PHE A 19 -10.078 -3.747 -5.161 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.662 -3.443 -3.405 1.00 0.00 C ATOM 257 CE1 PHE A 19 -9.046 -3.688 -4.244 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.634 -3.383 -2.483 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.324 -3.504 -2.904 1.00 0.00 C ATOM 0 H PHE A 19 -11.596 -5.066 -7.966 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.889 -5.779 -5.398 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.271 -3.056 -6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.420 -3.284 -5.298 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.854 -3.889 -6.208 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.685 -3.346 -3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.023 -3.786 -4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.855 -3.242 -1.435 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.518 -3.455 -2.186 1.00 0.00 H new ATOM 269 N LEU A 20 -15.200 -5.481 -6.318 1.00 0.00 N ATOM 270 CA LEU A 20 -16.524 -5.542 -6.930 1.00 0.00 C ATOM 271 C LEU A 20 -17.145 -4.152 -7.023 1.00 0.00 C ATOM 272 O LEU A 20 -18.344 -3.980 -6.803 1.00 0.00 O ATOM 273 CB LEU A 20 -17.437 -6.468 -6.125 1.00 0.00 C ATOM 274 CG LEU A 20 -17.148 -7.965 -6.244 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.491 -8.465 -7.639 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.691 -8.255 -5.915 1.00 0.00 C ATOM 0 H LEU A 20 -15.181 -5.728 -5.328 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.413 -5.939 -7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.370 -6.188 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.466 -6.291 -6.437 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.774 -8.495 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.279 -9.532 -7.705 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.549 -8.292 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.891 -7.930 -8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.504 -9.325 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.047 -7.714 -6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.477 -7.934 -4.896 1.00 0.00 H new ATOM 288 N THR A 21 -16.322 -3.162 -7.353 1.00 0.00 N ATOM 289 CA THR A 21 -16.790 -1.788 -7.477 1.00 0.00 C ATOM 290 C THR A 21 -16.060 -1.057 -8.598 1.00 0.00 C ATOM 291 O THR A 21 -15.009 -1.502 -9.061 1.00 0.00 O ATOM 292 CB THR A 21 -16.599 -1.008 -6.162 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.459 0.136 -6.142 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.153 -0.565 -6.001 1.00 0.00 C ATOM 0 H THR A 21 -15.327 -3.287 -7.539 1.00 0.00 H new ATOM 0 HA THR A 21 -17.853 -1.837 -7.711 1.00 0.00 H new ATOM 0 HB THR A 21 -16.854 -1.668 -5.333 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.069 0.073 -5.378 1.00 0.00 H new ATOM 0 HG21 THR A 21 -15.043 -0.016 -5.066 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.504 -1.440 -5.987 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.875 0.080 -6.835 1.00 0.00 H new ATOM 302 N SER A 22 -16.622 0.067 -9.031 1.00 0.00 N ATOM 303 CA SER A 22 -16.025 0.858 -10.100 1.00 0.00 C ATOM 304 C SER A 22 -14.855 1.685 -9.577 1.00 0.00 C ATOM 305 O SER A 22 -14.794 2.048 -8.402 1.00 0.00 O ATOM 306 CB SER A 22 -17.074 1.779 -10.728 1.00 0.00 C ATOM 307 OG SER A 22 -18.164 1.034 -11.243 1.00 0.00 O ATOM 0 H SER A 22 -17.490 0.450 -8.658 1.00 0.00 H new ATOM 0 HA SER A 22 -15.651 0.172 -10.860 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.434 2.487 -9.982 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.618 2.363 -11.528 1.00 0.00 H new ATOM 0 HG SER A 22 -18.821 1.645 -11.637 1.00 0.00 H new ATOM 313 N PRO A 23 -13.901 1.989 -10.469 1.00 0.00 N ATOM 314 CA PRO A 23 -12.714 2.776 -10.121 1.00 0.00 C ATOM 315 C PRO A 23 -13.064 4.039 -9.340 1.00 0.00 C ATOM 316 O PRO A 23 -12.602 4.231 -8.216 1.00 0.00 O ATOM 317 CB PRO A 23 -12.117 3.139 -11.483 1.00 0.00 C ATOM 318 CG PRO A 23 -12.581 2.059 -12.399 1.00 0.00 C ATOM 319 CD PRO A 23 -13.907 1.589 -11.886 1.00 0.00 C ATOM 0 HA PRO A 23 -12.033 2.222 -9.475 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.461 4.117 -11.818 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.029 3.181 -11.440 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.672 2.432 -13.419 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.864 1.239 -12.422 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.732 2.052 -12.428 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.018 0.510 -11.996 1.00 0.00 H new ATOM 327 N GLU A 24 -13.882 4.895 -9.944 1.00 0.00 N ATOM 328 CA GLU A 24 -14.292 6.139 -9.304 1.00 0.00 C ATOM 329 C GLU A 24 -14.677 5.900 -7.846 1.00 0.00 C ATOM 330 O GLU A 24 -14.398 6.725 -6.977 1.00 0.00 O ATOM 331 CB GLU A 24 -15.469 6.762 -10.057 1.00 0.00 C ATOM 332 CG GLU A 24 -16.406 7.562 -9.168 1.00 0.00 C ATOM 333 CD GLU A 24 -17.116 8.672 -9.918 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.516 8.444 -11.079 1.00 0.00 O ATOM 335 OE2 GLU A 24 -17.273 9.770 -9.343 1.00 0.00 O ATOM 0 H GLU A 24 -14.273 4.750 -10.875 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.447 6.827 -9.331 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.084 7.412 -10.842 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -16.035 5.970 -10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -17.147 6.892 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.839 7.992 -8.342 1.00 0.00 H new ATOM 342 N GLU A 25 -15.319 4.765 -7.589 1.00 0.00 N ATOM 343 CA GLU A 25 -15.744 4.418 -6.237 1.00 0.00 C ATOM 344 C GLU A 25 -14.539 4.241 -5.318 1.00 0.00 C ATOM 345 O GLU A 25 -14.310 5.045 -4.413 1.00 0.00 O ATOM 346 CB GLU A 25 -16.579 3.136 -6.255 1.00 0.00 C ATOM 347 CG GLU A 25 -17.597 3.057 -5.129 1.00 0.00 C ATOM 348 CD GLU A 25 -18.338 4.364 -4.921 1.00 0.00 C ATOM 349 OE1 GLU A 25 -19.368 4.576 -5.595 1.00 0.00 O ATOM 350 OE2 GLU A 25 -17.888 5.174 -4.084 1.00 0.00 O ATOM 0 H GLU A 25 -15.556 4.071 -8.298 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.355 5.235 -5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.100 3.065 -7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.912 2.277 -6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.315 2.267 -5.348 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.090 2.780 -4.205 1.00 0.00 H new ATOM 357 N LEU A 26 -13.772 3.183 -5.555 1.00 0.00 N ATOM 358 CA LEU A 26 -12.590 2.898 -4.748 1.00 0.00 C ATOM 359 C LEU A 26 -11.619 4.075 -4.770 1.00 0.00 C ATOM 360 O LEU A 26 -10.781 4.219 -3.880 1.00 0.00 O ATOM 361 CB LEU A 26 -11.892 1.637 -5.258 1.00 0.00 C ATOM 362 CG LEU A 26 -10.906 0.978 -4.292 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.639 0.402 -3.091 1.00 0.00 C ATOM 364 CD2 LEU A 26 -10.107 -0.106 -5.002 1.00 0.00 C ATOM 0 H LEU A 26 -13.947 2.508 -6.299 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.913 2.736 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.655 0.905 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.359 1.887 -6.175 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.212 1.739 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.921 -0.063 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.165 1.201 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.357 -0.346 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.411 -0.564 -4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.787 -0.866 -5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.551 0.335 -5.829 1.00 0.00 H new ATOM 376 N TYR A 27 -11.740 4.915 -5.792 1.00 0.00 N ATOM 377 CA TYR A 27 -10.873 6.079 -5.931 1.00 0.00 C ATOM 378 C TYR A 27 -11.059 7.039 -4.760 1.00 0.00 C ATOM 379 O TYR A 27 -10.246 7.938 -4.544 1.00 0.00 O ATOM 380 CB TYR A 27 -11.161 6.801 -7.248 1.00 0.00 C ATOM 381 CG TYR A 27 -10.170 7.898 -7.566 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.804 7.693 -7.414 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.599 9.140 -8.019 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.895 8.692 -7.702 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.697 10.144 -8.311 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.346 9.916 -8.151 1.00 0.00 C ATOM 387 OH TYR A 27 -7.444 10.914 -8.440 1.00 0.00 O ATOM 0 H TYR A 27 -12.430 4.812 -6.536 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.839 5.733 -5.933 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.158 6.074 -8.060 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.163 7.229 -7.207 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.447 6.736 -7.064 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.656 9.323 -8.145 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.837 8.516 -7.576 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.048 11.103 -8.663 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.662 10.529 -8.888 1.00 0.00 H new ATOM 397 N ARG A 28 -12.137 6.842 -4.008 1.00 0.00 N ATOM 398 CA ARG A 28 -12.432 7.690 -2.859 1.00 0.00 C ATOM 399 C ARG A 28 -11.980 7.025 -1.562 1.00 0.00 C ATOM 400 O ARG A 28 -11.292 7.637 -0.745 1.00 0.00 O ATOM 401 CB ARG A 28 -13.930 7.994 -2.794 1.00 0.00 C ATOM 402 CG ARG A 28 -14.586 8.119 -4.159 1.00 0.00 C ATOM 403 CD ARG A 28 -16.063 7.763 -4.102 1.00 0.00 C ATOM 404 NE ARG A 28 -16.897 8.928 -3.821 1.00 0.00 N ATOM 405 CZ ARG A 28 -18.140 8.848 -3.360 1.00 0.00 C ATOM 406 NH1 ARG A 28 -18.690 7.664 -3.129 1.00 0.00 N ATOM 407 NH2 ARG A 28 -18.836 9.955 -3.129 1.00 0.00 N ATOM 0 H ARG A 28 -12.820 6.103 -4.174 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.883 8.624 -2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.428 7.204 -2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.080 8.922 -2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.470 9.138 -4.527 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.080 7.464 -4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.366 7.321 -5.051 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.224 7.008 -3.333 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.503 9.854 -3.988 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -18.158 6.812 -3.305 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.645 7.606 -2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.416 10.868 -3.306 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.791 9.893 -2.775 1.00 0.00 H new ATOM 421 N VAL A 29 -12.372 5.768 -1.379 1.00 0.00 N ATOM 422 CA VAL A 29 -12.007 5.019 -0.183 1.00 0.00 C ATOM 423 C VAL A 29 -10.525 5.181 0.136 1.00 0.00 C ATOM 424 O VAL A 29 -10.099 4.982 1.274 1.00 0.00 O ATOM 425 CB VAL A 29 -12.328 3.521 -0.339 1.00 0.00 C ATOM 426 CG1 VAL A 29 -11.926 2.756 0.913 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.804 3.321 -0.645 1.00 0.00 C ATOM 0 H VAL A 29 -12.943 5.247 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.598 5.425 0.638 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.751 3.129 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.160 1.699 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.856 2.872 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.474 3.147 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.012 2.256 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.403 3.728 0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.056 3.835 -1.572 1.00 0.00 H new ATOM 437 N PHE A 30 -9.744 5.544 -0.876 1.00 0.00 N ATOM 438 CA PHE A 30 -8.308 5.732 -0.704 1.00 0.00 C ATOM 439 C PHE A 30 -7.952 7.215 -0.688 1.00 0.00 C ATOM 440 O PHE A 30 -6.890 7.606 -0.204 1.00 0.00 O ATOM 441 CB PHE A 30 -7.542 5.024 -1.824 1.00 0.00 C ATOM 442 CG PHE A 30 -7.417 3.541 -1.620 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.536 2.725 -1.669 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.181 2.963 -1.378 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.424 1.360 -1.482 1.00 0.00 C ATOM 446 CE2 PHE A 30 -6.063 1.599 -1.191 1.00 0.00 C ATOM 447 CZ PHE A 30 -7.186 0.797 -1.242 1.00 0.00 C ATOM 0 H PHE A 30 -10.081 5.714 -1.824 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.022 5.297 0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.046 5.211 -2.772 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.545 5.457 -1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.507 3.160 -1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.300 3.586 -1.335 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.304 0.735 -1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.094 1.161 -1.005 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.096 -0.269 -1.094 1.00 0.00 H new ATOM 457 N THR A 31 -8.849 8.039 -1.223 1.00 0.00 N ATOM 458 CA THR A 31 -8.630 9.479 -1.272 1.00 0.00 C ATOM 459 C THR A 31 -9.644 10.219 -0.408 1.00 0.00 C ATOM 460 O THR A 31 -9.861 11.420 -0.576 1.00 0.00 O ATOM 461 CB THR A 31 -8.717 10.011 -2.715 1.00 0.00 C ATOM 462 OG1 THR A 31 -10.072 9.960 -3.176 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.828 9.199 -3.646 1.00 0.00 C ATOM 0 H THR A 31 -9.734 7.733 -1.628 1.00 0.00 H new ATOM 0 HA THR A 31 -7.627 9.660 -0.885 1.00 0.00 H new ATOM 0 HB THR A 31 -8.372 11.045 -2.719 1.00 0.00 H new ATOM 0 HG1 THR A 31 -10.115 9.443 -4.008 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.906 9.593 -4.659 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.793 9.265 -3.310 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.147 8.157 -3.637 1.00 0.00 H new ATOM 471 N THR A 32 -10.265 9.496 0.519 1.00 0.00 N ATOM 472 CA THR A 32 -11.257 10.084 1.410 1.00 0.00 C ATOM 473 C THR A 32 -11.051 9.618 2.847 1.00 0.00 C ATOM 474 O THR A 32 -11.359 8.476 3.188 1.00 0.00 O ATOM 475 CB THR A 32 -12.689 9.730 0.968 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.843 9.975 -0.435 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.712 10.545 1.745 1.00 0.00 C ATOM 0 H THR A 32 -10.098 8.501 0.672 1.00 0.00 H new ATOM 0 HA THR A 32 -11.126 11.165 1.359 1.00 0.00 H new ATOM 0 HB THR A 32 -12.858 8.673 1.173 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.725 10.368 -0.604 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.716 10.278 1.416 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.612 10.335 2.810 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.542 11.607 1.567 1.00 0.00 H new ATOM 485 N GLN A 33 -10.529 10.509 3.684 1.00 0.00 N ATOM 486 CA GLN A 33 -10.283 10.187 5.085 1.00 0.00 C ATOM 487 C GLN A 33 -11.450 9.404 5.677 1.00 0.00 C ATOM 488 O GLN A 33 -11.295 8.253 6.085 1.00 0.00 O ATOM 489 CB GLN A 33 -10.050 11.466 5.891 1.00 0.00 C ATOM 490 CG GLN A 33 -9.920 11.227 7.386 1.00 0.00 C ATOM 491 CD GLN A 33 -9.555 12.486 8.149 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.304 13.534 7.554 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.523 12.388 9.473 1.00 0.00 N ATOM 0 H GLN A 33 -10.269 11.458 3.417 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.389 9.565 5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.145 11.954 5.529 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.876 12.154 5.712 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.861 10.834 7.770 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.160 10.466 7.564 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.738 11.499 9.924 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.283 13.202 10.039 1.00 0.00 H new ATOM 502 N GLU A 34 -12.619 10.036 5.721 1.00 0.00 N ATOM 503 CA GLU A 34 -13.812 9.398 6.265 1.00 0.00 C ATOM 504 C GLU A 34 -13.898 7.940 5.824 1.00 0.00 C ATOM 505 O GLU A 34 -13.867 7.027 6.649 1.00 0.00 O ATOM 506 CB GLU A 34 -15.067 10.152 5.822 1.00 0.00 C ATOM 507 CG GLU A 34 -16.363 9.472 6.232 1.00 0.00 C ATOM 508 CD GLU A 34 -17.588 10.303 5.904 1.00 0.00 C ATOM 509 OE1 GLU A 34 -17.644 11.473 6.336 1.00 0.00 O ATOM 510 OE2 GLU A 34 -18.490 9.783 5.215 1.00 0.00 O ATOM 0 H GLU A 34 -12.765 10.989 5.387 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.745 9.427 7.353 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.045 11.157 6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.051 10.261 4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.438 8.508 5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.341 9.272 7.303 1.00 0.00 H new ATOM 517 N LEU A 35 -14.008 7.730 4.517 1.00 0.00 N ATOM 518 CA LEU A 35 -14.100 6.383 3.963 1.00 0.00 C ATOM 519 C LEU A 35 -13.013 5.482 4.541 1.00 0.00 C ATOM 520 O LEU A 35 -13.217 4.281 4.719 1.00 0.00 O ATOM 521 CB LEU A 35 -13.985 6.427 2.439 1.00 0.00 C ATOM 522 CG LEU A 35 -14.992 7.322 1.715 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.878 7.144 0.209 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.408 7.019 2.185 1.00 0.00 C ATOM 0 H LEU A 35 -14.036 8.475 3.821 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.072 5.971 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.980 6.761 2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.091 5.412 2.057 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.765 8.361 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.602 7.789 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.872 7.411 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.078 6.105 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.112 7.665 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.646 5.976 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.482 7.199 3.258 1.00 0.00 H new ATOM 536 N VAL A 36 -11.857 6.070 4.833 1.00 0.00 N ATOM 537 CA VAL A 36 -10.739 5.322 5.394 1.00 0.00 C ATOM 538 C VAL A 36 -11.023 4.904 6.832 1.00 0.00 C ATOM 539 O VAL A 36 -10.819 3.749 7.205 1.00 0.00 O ATOM 540 CB VAL A 36 -9.438 6.146 5.358 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.244 5.276 5.723 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.247 6.780 3.989 1.00 0.00 C ATOM 0 H VAL A 36 -11.671 7.063 4.690 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.614 4.431 4.778 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.514 6.945 6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.334 5.875 5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.380 4.874 6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.161 4.454 5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.323 7.358 3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.192 5.999 3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.089 7.438 3.772 1.00 0.00 H new ATOM 552 N GLN A 37 -11.496 5.851 7.636 1.00 0.00 N ATOM 553 CA GLN A 37 -11.809 5.581 9.034 1.00 0.00 C ATOM 554 C GLN A 37 -12.967 4.596 9.152 1.00 0.00 C ATOM 555 O GLN A 37 -13.339 4.189 10.253 1.00 0.00 O ATOM 556 CB GLN A 37 -12.152 6.881 9.763 1.00 0.00 C ATOM 557 CG GLN A 37 -10.955 7.539 10.429 1.00 0.00 C ATOM 558 CD GLN A 37 -11.288 8.896 11.019 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.430 9.897 10.159 1.00 0.00 O flip ATOM 560 NE2 GLN A 37 -11.417 9.042 12.235 1.00 0.00 N flip ATOM 0 H GLN A 37 -11.671 6.812 7.343 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.929 5.135 9.497 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.592 7.581 9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.910 6.675 10.519 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.579 6.887 11.217 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.154 7.651 9.698 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.299 8.244 12.860 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.642 9.960 12.617 1.00 0.00 H new ATOM 569 N ALA A 38 -13.535 4.218 8.011 1.00 0.00 N ATOM 570 CA ALA A 38 -14.651 3.280 7.987 1.00 0.00 C ATOM 571 C ALA A 38 -14.155 1.840 7.911 1.00 0.00 C ATOM 572 O ALA A 38 -14.589 0.983 8.681 1.00 0.00 O ATOM 573 CB ALA A 38 -15.572 3.586 6.816 1.00 0.00 C ATOM 0 H ALA A 38 -13.241 4.547 7.091 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.211 3.395 8.915 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.401 2.878 6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -15.961 4.599 6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.015 3.500 5.883 1.00 0.00 H new ATOM 579 N PHE A 39 -13.246 1.580 6.978 1.00 0.00 N ATOM 580 CA PHE A 39 -12.693 0.243 6.801 1.00 0.00 C ATOM 581 C PHE A 39 -11.507 0.016 7.734 1.00 0.00 C ATOM 582 O PHE A 39 -10.978 -1.092 7.828 1.00 0.00 O ATOM 583 CB PHE A 39 -12.259 0.036 5.348 1.00 0.00 C ATOM 584 CG PHE A 39 -10.964 0.715 5.006 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.760 0.218 5.479 1.00 0.00 C ATOM 586 CD2 PHE A 39 -10.950 1.850 4.212 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.567 0.841 5.167 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.760 2.478 3.896 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.567 1.972 4.373 1.00 0.00 C ATOM 0 H PHE A 39 -12.876 2.278 6.332 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.471 -0.480 7.048 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.162 -1.032 5.155 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.041 0.409 4.687 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.754 -0.667 6.099 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.880 2.249 3.835 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.635 0.445 5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.763 3.363 3.277 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.635 2.459 4.126 1.00 0.00 H new ATOM 599 N THR A 40 -11.094 1.075 8.424 1.00 0.00 N ATOM 600 CA THR A 40 -9.971 0.993 9.349 1.00 0.00 C ATOM 601 C THR A 40 -10.442 1.087 10.796 1.00 0.00 C ATOM 602 O THR A 40 -9.715 0.723 11.721 1.00 0.00 O ATOM 603 CB THR A 40 -8.942 2.108 9.083 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.558 3.391 9.243 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.364 1.988 7.681 1.00 0.00 C ATOM 0 H THR A 40 -11.521 1.999 8.359 1.00 0.00 H new ATOM 0 HA THR A 40 -9.498 0.025 9.186 1.00 0.00 H new ATOM 0 HB THR A 40 -8.130 2.003 9.803 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.307 3.475 8.617 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.640 2.786 7.516 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.871 1.022 7.572 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.167 2.070 6.948 1.00 0.00 H new ATOM 613 N HIS A 41 -11.663 1.576 10.986 1.00 0.00 N ATOM 614 CA HIS A 41 -12.232 1.716 12.321 1.00 0.00 C ATOM 615 C HIS A 41 -11.185 2.227 13.307 1.00 0.00 C ATOM 616 O HIS A 41 -11.151 1.808 14.463 1.00 0.00 O ATOM 617 CB HIS A 41 -12.792 0.377 12.803 1.00 0.00 C ATOM 618 CG HIS A 41 -13.735 -0.262 11.830 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.105 -0.126 11.909 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.498 -1.044 10.751 1.00 0.00 C ATOM 621 CE1 HIS A 41 -15.669 -0.798 10.922 1.00 0.00 C ATOM 622 NE2 HIS A 41 -14.716 -1.364 10.204 1.00 0.00 N ATOM 0 H HIS A 41 -12.278 1.882 10.232 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.043 2.443 12.269 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.964 -0.305 12.996 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.308 0.528 13.751 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.531 -1.358 10.388 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -16.730 -0.872 10.734 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -14.861 -1.944 9.378 1.00 0.00 H new ATOM 631 N ALA A 42 -10.333 3.133 12.840 1.00 0.00 N ATOM 632 CA ALA A 42 -9.287 3.702 13.681 1.00 0.00 C ATOM 633 C ALA A 42 -8.968 5.135 13.267 1.00 0.00 C ATOM 634 O ALA A 42 -9.134 5.524 12.111 1.00 0.00 O ATOM 635 CB ALA A 42 -8.033 2.841 13.618 1.00 0.00 C ATOM 0 H ALA A 42 -10.346 3.489 11.884 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.651 3.721 14.708 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.260 3.277 14.250 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.264 1.835 13.969 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.676 2.793 12.589 1.00 0.00 H new ATOM 641 N PRO A 43 -8.500 5.940 14.232 1.00 0.00 N ATOM 642 CA PRO A 43 -8.149 7.343 13.991 1.00 0.00 C ATOM 643 C PRO A 43 -7.276 7.517 12.753 1.00 0.00 C ATOM 644 O PRO A 43 -6.051 7.432 12.829 1.00 0.00 O ATOM 645 CB PRO A 43 -7.375 7.736 15.252 1.00 0.00 C ATOM 646 CG PRO A 43 -7.884 6.819 16.310 1.00 0.00 C ATOM 647 CD PRO A 43 -8.278 5.543 15.633 1.00 0.00 C ATOM 0 HA PRO A 43 -9.030 7.958 13.806 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.301 7.619 15.110 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.550 8.779 15.515 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.117 6.635 17.062 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.737 7.261 16.826 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.495 4.789 15.715 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.179 5.117 16.075 1.00 0.00 H new ATOM 655 N ALA A 44 -7.915 7.763 11.614 1.00 0.00 N ATOM 656 CA ALA A 44 -7.196 7.952 10.361 1.00 0.00 C ATOM 657 C ALA A 44 -7.390 9.366 9.825 1.00 0.00 C ATOM 658 O ALA A 44 -8.487 9.921 9.889 1.00 0.00 O ATOM 659 CB ALA A 44 -7.652 6.929 9.331 1.00 0.00 C ATOM 0 H ALA A 44 -8.929 7.836 11.534 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.133 7.807 10.555 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.106 7.082 8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.456 5.924 9.705 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.720 7.047 9.149 1.00 0.00 H new ATOM 665 N THR A 45 -6.316 9.947 9.297 1.00 0.00 N ATOM 666 CA THR A 45 -6.368 11.297 8.752 1.00 0.00 C ATOM 667 C THR A 45 -5.834 11.335 7.324 1.00 0.00 C ATOM 668 O THR A 45 -4.622 11.358 7.104 1.00 0.00 O ATOM 669 CB THR A 45 -5.559 12.283 9.616 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.178 12.431 10.899 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.458 13.641 8.938 1.00 0.00 C ATOM 0 H THR A 45 -5.400 9.503 9.236 1.00 0.00 H new ATOM 0 HA THR A 45 -7.416 11.598 8.754 1.00 0.00 H new ATOM 0 HB THR A 45 -4.553 11.881 9.741 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.657 13.058 11.443 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.882 14.320 9.567 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.961 13.530 7.974 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.458 14.047 8.786 1.00 0.00 H new ATOM 679 N LEU A 46 -6.744 11.341 6.357 1.00 0.00 N ATOM 680 CA LEU A 46 -6.364 11.377 4.949 1.00 0.00 C ATOM 681 C LEU A 46 -6.632 12.753 4.348 1.00 0.00 C ATOM 682 O LEU A 46 -7.649 13.381 4.641 1.00 0.00 O ATOM 683 CB LEU A 46 -7.129 10.308 4.167 1.00 0.00 C ATOM 684 CG LEU A 46 -6.472 9.823 2.874 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.744 8.342 2.660 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.968 10.636 1.687 1.00 0.00 C ATOM 0 H LEU A 46 -7.750 11.321 6.522 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.295 11.173 4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.280 9.448 4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.116 10.701 3.924 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.395 9.964 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.269 8.015 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.339 7.773 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.819 8.175 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.490 10.277 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.049 10.527 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.721 11.687 1.837 1.00 0.00 H new ATOM 698 N GLU A 47 -5.714 13.213 3.504 1.00 0.00 N ATOM 699 CA GLU A 47 -5.853 14.514 2.860 1.00 0.00 C ATOM 700 C GLU A 47 -5.592 14.410 1.361 1.00 0.00 C ATOM 701 O GLU A 47 -4.445 14.441 0.916 1.00 0.00 O ATOM 702 CB GLU A 47 -4.889 15.524 3.488 1.00 0.00 C ATOM 703 CG GLU A 47 -5.190 15.827 4.946 1.00 0.00 C ATOM 704 CD GLU A 47 -4.770 17.227 5.350 1.00 0.00 C ATOM 705 OE1 GLU A 47 -5.109 18.182 4.620 1.00 0.00 O ATOM 706 OE2 GLU A 47 -4.102 17.367 6.396 1.00 0.00 O ATOM 0 H GLU A 47 -4.867 12.705 3.250 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.877 14.857 3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.872 15.141 3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.926 16.452 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.258 15.706 5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.677 15.101 5.577 1.00 0.00 H new ATOM 713 N ALA A 48 -6.665 14.286 0.586 1.00 0.00 N ATOM 714 CA ALA A 48 -6.553 14.179 -0.863 1.00 0.00 C ATOM 715 C ALA A 48 -5.902 15.423 -1.457 1.00 0.00 C ATOM 716 O ALA A 48 -6.571 16.425 -1.709 1.00 0.00 O ATOM 717 CB ALA A 48 -7.923 13.951 -1.483 1.00 0.00 C ATOM 0 H ALA A 48 -7.622 14.257 0.938 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.916 13.324 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.824 13.873 -2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.351 13.029 -1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.577 14.788 -1.238 1.00 0.00 H new ATOM 723 N ASP A 49 -4.594 15.352 -1.678 1.00 0.00 N ATOM 724 CA ASP A 49 -3.852 16.474 -2.243 1.00 0.00 C ATOM 725 C ASP A 49 -2.401 16.086 -2.512 1.00 0.00 C ATOM 726 O ASP A 49 -1.810 15.304 -1.767 1.00 0.00 O ATOM 727 CB ASP A 49 -3.905 17.676 -1.299 1.00 0.00 C ATOM 728 CG ASP A 49 -5.095 18.574 -1.572 1.00 0.00 C ATOM 729 OD1 ASP A 49 -5.161 19.151 -2.678 1.00 0.00 O ATOM 730 OD2 ASP A 49 -5.960 18.701 -0.680 1.00 0.00 O ATOM 0 H ASP A 49 -4.025 14.530 -1.475 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.318 16.745 -3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.948 17.323 -0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.986 18.254 -1.400 1.00 0.00 H new ATOM 735 N ARG A 50 -1.835 16.636 -3.581 1.00 0.00 N ATOM 736 CA ARG A 50 -0.455 16.346 -3.948 1.00 0.00 C ATOM 737 C ARG A 50 0.502 16.748 -2.830 1.00 0.00 C ATOM 738 O ARG A 50 0.886 17.911 -2.715 1.00 0.00 O ATOM 739 CB ARG A 50 -0.083 17.078 -5.239 1.00 0.00 C ATOM 740 CG ARG A 50 -0.407 16.293 -6.500 1.00 0.00 C ATOM 741 CD ARG A 50 0.275 16.892 -7.720 1.00 0.00 C ATOM 742 NE ARG A 50 -0.417 16.547 -8.958 1.00 0.00 N ATOM 743 CZ ARG A 50 -1.549 17.121 -9.352 1.00 0.00 C ATOM 744 NH1 ARG A 50 -2.113 18.062 -8.608 1.00 0.00 N ATOM 745 NH2 ARG A 50 -2.119 16.753 -10.492 1.00 0.00 N ATOM 0 H ARG A 50 -2.311 17.285 -4.208 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.367 15.272 -4.109 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.609 18.032 -5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.984 17.302 -5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.090 15.257 -6.377 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.486 16.280 -6.655 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.315 17.976 -7.617 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.305 16.538 -7.770 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.009 15.826 -9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.678 18.347 -7.731 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.982 18.501 -8.913 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.688 16.029 -11.067 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.988 17.194 -10.793 1.00 0.00 H new ATOM 759 N GLY A 51 0.884 15.776 -2.006 1.00 0.00 N ATOM 760 CA GLY A 51 1.792 16.048 -0.907 1.00 0.00 C ATOM 761 C GLY A 51 1.113 15.948 0.444 1.00 0.00 C ATOM 762 O GLY A 51 1.757 16.089 1.482 1.00 0.00 O ATOM 0 H GLY A 51 0.580 14.805 -2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.624 15.345 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.213 17.047 -1.026 1.00 0.00 H new ATOM 766 N GLY A 52 -0.195 15.705 0.431 1.00 0.00 N ATOM 767 CA GLY A 52 -0.940 15.593 1.671 1.00 0.00 C ATOM 768 C GLY A 52 -0.422 14.480 2.561 1.00 0.00 C ATOM 769 O GLY A 52 0.513 13.768 2.195 1.00 0.00 O ATOM 0 H GLY A 52 -0.751 15.584 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.887 16.539 2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.991 15.414 1.445 1.00 0.00 H new ATOM 773 N LYS A 53 -1.028 14.331 3.733 1.00 0.00 N ATOM 774 CA LYS A 53 -0.623 13.298 4.679 1.00 0.00 C ATOM 775 C LYS A 53 -1.786 12.364 4.997 1.00 0.00 C ATOM 776 O LYS A 53 -2.865 12.810 5.389 1.00 0.00 O ATOM 777 CB LYS A 53 -0.100 13.935 5.969 1.00 0.00 C ATOM 778 CG LYS A 53 1.397 14.193 5.956 1.00 0.00 C ATOM 779 CD LYS A 53 1.791 15.133 4.829 1.00 0.00 C ATOM 780 CE LYS A 53 3.141 15.783 5.093 1.00 0.00 C ATOM 781 NZ LYS A 53 4.270 14.881 4.735 1.00 0.00 N ATOM 0 H LYS A 53 -1.803 14.913 4.051 1.00 0.00 H new ATOM 0 HA LYS A 53 0.174 12.714 4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.621 14.878 6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.341 13.284 6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.702 14.621 6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.929 13.248 5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.829 14.581 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.030 15.905 4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.218 16.706 4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.213 16.055 6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.172 15.360 4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.212 14.010 5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.216 14.641 3.724 1.00 0.00 H new ATOM 795 N PHE A 54 -1.561 11.066 4.826 1.00 0.00 N ATOM 796 CA PHE A 54 -2.590 10.069 5.095 1.00 0.00 C ATOM 797 C PHE A 54 -2.176 9.156 6.246 1.00 0.00 C ATOM 798 O PHE A 54 -1.185 8.432 6.153 1.00 0.00 O ATOM 799 CB PHE A 54 -2.863 9.235 3.841 1.00 0.00 C ATOM 800 CG PHE A 54 -1.838 8.164 3.599 1.00 0.00 C ATOM 801 CD1 PHE A 54 -1.951 6.927 4.214 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.762 8.393 2.757 1.00 0.00 C ATOM 803 CE1 PHE A 54 -1.010 5.939 3.993 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.182 7.409 2.532 1.00 0.00 C ATOM 805 CZ PHE A 54 0.058 6.181 3.152 1.00 0.00 C ATOM 0 H PHE A 54 -0.674 10.680 4.502 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.502 10.593 5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.846 8.773 3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.898 9.896 2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.784 6.733 4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.660 9.352 2.271 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.110 4.979 4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.015 7.600 1.872 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.795 5.411 2.979 1.00 0.00 H new ATOM 815 N HIS A 55 -2.943 9.197 7.331 1.00 0.00 N ATOM 816 CA HIS A 55 -2.657 8.375 8.501 1.00 0.00 C ATOM 817 C HIS A 55 -3.803 7.406 8.777 1.00 0.00 C ATOM 818 O HIS A 55 -4.974 7.775 8.692 1.00 0.00 O ATOM 819 CB HIS A 55 -2.414 9.259 9.725 1.00 0.00 C ATOM 820 CG HIS A 55 -1.350 8.736 10.639 1.00 0.00 C ATOM 821 ND1 HIS A 55 -0.843 7.457 10.550 1.00 0.00 N ATOM 822 CD2 HIS A 55 -0.696 9.327 11.666 1.00 0.00 C ATOM 823 CE1 HIS A 55 0.077 7.284 11.482 1.00 0.00 C ATOM 824 NE2 HIS A 55 0.186 8.404 12.173 1.00 0.00 N ATOM 0 H HIS A 55 -3.767 9.791 7.424 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.756 7.796 8.297 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.136 10.259 9.392 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.345 9.357 10.283 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.133 6.754 9.870 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.841 10.337 12.021 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.644 6.380 11.650 1.00 0.00 H new ATOM 833 N MET A 56 -3.457 6.167 9.108 1.00 0.00 N ATOM 834 CA MET A 56 -4.458 5.146 9.397 1.00 0.00 C ATOM 835 C MET A 56 -3.951 4.174 10.458 1.00 0.00 C ATOM 836 O MET A 56 -2.812 4.274 10.913 1.00 0.00 O ATOM 837 CB MET A 56 -4.822 4.383 8.122 1.00 0.00 C ATOM 838 CG MET A 56 -3.705 4.352 7.092 1.00 0.00 C ATOM 839 SD MET A 56 -3.682 2.823 6.138 1.00 0.00 S ATOM 840 CE MET A 56 -5.318 2.853 5.409 1.00 0.00 C ATOM 0 H MET A 56 -2.492 5.845 9.183 1.00 0.00 H new ATOM 0 HA MET A 56 -5.349 5.644 9.781 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.091 3.360 8.385 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.705 4.840 7.675 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.818 5.197 6.413 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.747 4.475 7.597 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.263 2.505 4.377 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.981 2.201 5.977 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.706 3.871 5.428 1.00 0.00 H new ATOM 850 N VAL A 57 -4.806 3.233 10.849 1.00 0.00 N ATOM 851 CA VAL A 57 -4.444 2.243 11.856 1.00 0.00 C ATOM 852 C VAL A 57 -4.181 2.902 13.205 1.00 0.00 C ATOM 853 O VAL A 57 -3.269 2.507 13.932 1.00 0.00 O ATOM 854 CB VAL A 57 -3.197 1.443 11.435 1.00 0.00 C ATOM 855 CG1 VAL A 57 -2.968 0.274 12.380 1.00 0.00 C ATOM 856 CG2 VAL A 57 -3.334 0.960 9.999 1.00 0.00 C ATOM 0 H VAL A 57 -5.753 3.136 10.484 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.289 1.561 11.947 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.329 2.100 11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.083 -0.279 12.066 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.822 0.648 13.393 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.835 -0.386 12.359 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.444 0.397 9.718 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.211 0.319 9.913 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.445 1.818 9.336 1.00 0.00 H new ATOM 866 N ASP A 58 -4.985 3.907 13.533 1.00 0.00 N ATOM 867 CA ASP A 58 -4.840 4.621 14.797 1.00 0.00 C ATOM 868 C ASP A 58 -3.527 5.396 14.835 1.00 0.00 C ATOM 869 O ASP A 58 -2.876 5.484 15.876 1.00 0.00 O ATOM 870 CB ASP A 58 -4.903 3.642 15.970 1.00 0.00 C ATOM 871 CG ASP A 58 -5.438 4.286 17.234 1.00 0.00 C ATOM 872 OD1 ASP A 58 -4.943 5.372 17.602 1.00 0.00 O ATOM 873 OD2 ASP A 58 -6.352 3.705 17.854 1.00 0.00 O ATOM 0 H ASP A 58 -5.744 4.246 12.942 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.663 5.331 14.882 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.536 2.797 15.700 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.906 3.245 16.162 1.00 0.00 H new ATOM 878 N GLY A 59 -3.143 5.957 13.692 1.00 0.00 N ATOM 879 CA GLY A 59 -1.909 6.717 13.617 1.00 0.00 C ATOM 880 C GLY A 59 -0.680 5.829 13.620 1.00 0.00 C ATOM 881 O GLY A 59 0.385 6.234 14.084 1.00 0.00 O ATOM 0 H GLY A 59 -3.664 5.899 12.817 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.914 7.323 12.711 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.858 7.405 14.460 1.00 0.00 H new ATOM 885 N ASN A 60 -0.829 4.614 13.103 1.00 0.00 N ATOM 886 CA ASN A 60 0.278 3.666 13.050 1.00 0.00 C ATOM 887 C ASN A 60 0.905 3.638 11.660 1.00 0.00 C ATOM 888 O ASN A 60 2.078 3.297 11.502 1.00 0.00 O ATOM 889 CB ASN A 60 -0.205 2.265 13.431 1.00 0.00 C ATOM 890 CG ASN A 60 -0.087 1.998 14.919 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.937 1.506 15.393 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.138 2.320 15.664 1.00 0.00 N ATOM 0 H ASN A 60 -1.705 4.263 12.715 1.00 0.00 H new ATOM 0 HA ASN A 60 1.035 3.990 13.764 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.244 2.146 13.125 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.376 1.522 12.884 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.117 2.162 16.671 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.966 2.726 15.229 1.00 0.00 H new ATOM 899 N VAL A 61 0.116 4.000 10.653 1.00 0.00 N ATOM 900 CA VAL A 61 0.594 4.019 9.276 1.00 0.00 C ATOM 901 C VAL A 61 0.357 5.380 8.630 1.00 0.00 C ATOM 902 O VAL A 61 -0.785 5.803 8.452 1.00 0.00 O ATOM 903 CB VAL A 61 -0.096 2.934 8.427 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.301 3.067 6.965 1.00 0.00 C ATOM 905 CG2 VAL A 61 0.243 1.549 8.957 1.00 0.00 C ATOM 0 H VAL A 61 -0.857 4.284 10.765 1.00 0.00 H new ATOM 0 HA VAL A 61 1.665 3.818 9.310 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.175 3.072 8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.196 2.292 6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.003 4.048 6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.381 2.956 6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.252 0.794 8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.322 1.398 8.916 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.097 1.461 9.989 1.00 0.00 H new ATOM 915 N SER A 62 1.444 6.061 8.282 1.00 0.00 N ATOM 916 CA SER A 62 1.354 7.377 7.659 1.00 0.00 C ATOM 917 C SER A 62 2.054 7.384 6.303 1.00 0.00 C ATOM 918 O SER A 62 2.641 6.385 5.889 1.00 0.00 O ATOM 919 CB SER A 62 1.972 8.439 8.570 1.00 0.00 C ATOM 920 OG SER A 62 3.317 8.122 8.885 1.00 0.00 O ATOM 0 H SER A 62 2.397 5.724 8.421 1.00 0.00 H new ATOM 0 HA SER A 62 0.300 7.609 7.506 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.930 9.412 8.080 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.389 8.519 9.488 1.00 0.00 H new ATOM 0 HG SER A 62 3.689 8.817 9.467 1.00 0.00 H new ATOM 926 N GLY A 63 1.987 8.520 5.616 1.00 0.00 N ATOM 927 CA GLY A 63 2.618 8.638 4.314 1.00 0.00 C ATOM 928 C GLY A 63 2.440 10.015 3.706 1.00 0.00 C ATOM 929 O GLY A 63 2.080 10.965 4.401 1.00 0.00 O ATOM 0 H GLY A 63 1.507 9.361 5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.682 8.421 4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.198 7.890 3.641 1.00 0.00 H new ATOM 933 N GLU A 64 2.693 10.123 2.405 1.00 0.00 N ATOM 934 CA GLU A 64 2.560 11.396 1.705 1.00 0.00 C ATOM 935 C GLU A 64 2.210 11.174 0.237 1.00 0.00 C ATOM 936 O GLU A 64 2.807 10.333 -0.435 1.00 0.00 O ATOM 937 CB GLU A 64 3.856 12.202 1.817 1.00 0.00 C ATOM 938 CG GLU A 64 4.838 11.935 0.688 1.00 0.00 C ATOM 939 CD GLU A 64 6.028 12.873 0.717 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.496 13.204 1.827 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.492 13.277 -0.370 1.00 0.00 O ATOM 0 H GLU A 64 2.991 9.346 1.815 1.00 0.00 H new ATOM 0 HA GLU A 64 1.751 11.957 2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.613 13.264 1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.337 11.971 2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.190 10.905 0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.324 12.036 -0.268 1.00 0.00 H new ATOM 948 N PHE A 65 1.238 11.936 -0.255 1.00 0.00 N ATOM 949 CA PHE A 65 0.807 11.823 -1.644 1.00 0.00 C ATOM 950 C PHE A 65 1.800 12.507 -2.579 1.00 0.00 C ATOM 951 O PHE A 65 2.095 13.693 -2.431 1.00 0.00 O ATOM 952 CB PHE A 65 -0.583 12.437 -1.820 1.00 0.00 C ATOM 953 CG PHE A 65 -1.695 11.551 -1.335 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.524 10.750 -0.218 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.912 11.520 -1.998 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.546 9.935 0.231 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.937 10.707 -1.553 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.754 9.912 -0.438 1.00 0.00 C ATOM 0 H PHE A 65 0.734 12.638 0.287 1.00 0.00 H new ATOM 0 HA PHE A 65 0.764 10.764 -1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.624 13.385 -1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.742 12.661 -2.875 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.581 10.762 0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.061 12.138 -2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.400 9.317 1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.881 10.693 -2.077 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.553 9.274 -0.091 1.00 0.00 H new ATOM 968 N THR A 66 2.314 11.750 -3.544 1.00 0.00 N ATOM 969 CA THR A 66 3.274 12.281 -4.502 1.00 0.00 C ATOM 970 C THR A 66 2.616 12.545 -5.852 1.00 0.00 C ATOM 971 O THR A 66 2.916 13.537 -6.516 1.00 0.00 O ATOM 972 CB THR A 66 4.460 11.318 -4.702 1.00 0.00 C ATOM 973 OG1 THR A 66 3.984 10.038 -5.134 1.00 0.00 O ATOM 974 CG2 THR A 66 5.252 11.160 -3.413 1.00 0.00 C ATOM 0 H THR A 66 2.081 10.767 -3.682 1.00 0.00 H new ATOM 0 HA THR A 66 3.643 13.220 -4.091 1.00 0.00 H new ATOM 0 HB THR A 66 5.116 11.738 -5.464 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.006 10.017 -5.078 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.084 10.476 -3.579 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.637 12.131 -3.101 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.603 10.760 -2.634 1.00 0.00 H new ATOM 982 N ASP A 67 1.718 11.651 -6.251 1.00 0.00 N ATOM 983 CA ASP A 67 1.015 11.789 -7.522 1.00 0.00 C ATOM 984 C ASP A 67 -0.453 11.404 -7.375 1.00 0.00 C ATOM 985 O ASP A 67 -0.795 10.491 -6.621 1.00 0.00 O ATOM 986 CB ASP A 67 1.678 10.921 -8.592 1.00 0.00 C ATOM 987 CG ASP A 67 1.526 11.501 -9.984 1.00 0.00 C ATOM 988 OD1 ASP A 67 0.558 12.257 -10.209 1.00 0.00 O ATOM 989 OD2 ASP A 67 2.375 11.199 -10.850 1.00 0.00 O ATOM 0 H ASP A 67 1.460 10.824 -5.713 1.00 0.00 H new ATOM 0 HA ASP A 67 1.069 12.834 -7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.738 10.811 -8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.241 9.923 -8.568 1.00 0.00 H new ATOM 994 N LEU A 68 -1.319 12.105 -8.099 1.00 0.00 N ATOM 995 CA LEU A 68 -2.752 11.838 -8.048 1.00 0.00 C ATOM 996 C LEU A 68 -3.390 12.027 -9.421 1.00 0.00 C ATOM 997 O LEU A 68 -3.551 13.153 -9.893 1.00 0.00 O ATOM 998 CB LEU A 68 -3.427 12.757 -7.029 1.00 0.00 C ATOM 999 CG LEU A 68 -3.036 12.539 -5.567 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.561 13.672 -4.699 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.557 11.199 -5.069 1.00 0.00 C ATOM 0 H LEU A 68 -1.054 12.863 -8.728 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.892 10.801 -7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.201 13.790 -7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.506 12.634 -7.118 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.948 12.531 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.273 13.499 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.139 14.617 -5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.648 13.712 -4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.269 11.061 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.644 11.178 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.132 10.397 -5.672 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.753 10.918 -10.057 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.376 10.961 -11.375 1.00 0.00 C ATOM 1015 C VAL A 69 -5.853 10.591 -11.296 1.00 0.00 C ATOM 1016 O VAL A 69 -6.251 9.672 -10.581 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.671 10.010 -12.361 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -4.164 10.251 -13.779 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -2.162 10.179 -12.276 1.00 0.00 C ATOM 0 H VAL A 69 -3.626 9.978 -9.681 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.279 11.984 -11.738 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.915 8.983 -12.087 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.655 9.570 -14.462 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.239 10.075 -13.825 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.952 11.280 -14.068 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.680 9.500 -12.979 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.896 11.207 -12.524 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.827 9.952 -11.264 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.687 11.323 -12.050 1.00 0.00 N ATOM 1030 CA PRO A 70 -8.134 11.089 -12.084 1.00 0.00 C ATOM 1031 C PRO A 70 -8.479 9.616 -12.275 1.00 0.00 C ATOM 1032 O PRO A 70 -8.239 9.046 -13.339 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.597 11.908 -13.292 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.580 12.988 -13.430 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.282 12.434 -12.927 1.00 0.00 C ATOM 0 HA PRO A 70 -8.615 11.374 -11.148 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.647 11.294 -14.191 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.593 12.320 -13.132 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.489 13.301 -14.470 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.872 13.868 -12.857 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.652 12.087 -13.746 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.711 13.186 -12.382 1.00 0.00 H new ATOM 1043 N GLU A 71 -9.044 9.006 -11.238 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.422 7.599 -11.293 1.00 0.00 C ATOM 1045 C GLU A 71 -8.494 6.823 -12.223 1.00 0.00 C ATOM 1046 O GLU A 71 -8.948 6.068 -13.083 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.871 7.455 -11.763 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.832 8.408 -11.074 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.189 8.458 -11.749 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.479 7.559 -12.566 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.961 9.396 -11.460 1.00 0.00 O ATOM 0 H GLU A 71 -9.250 9.464 -10.350 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.331 7.185 -10.289 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.914 7.624 -12.839 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.201 6.431 -11.588 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.958 8.103 -10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.399 9.408 -11.062 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.191 7.015 -12.045 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.197 6.334 -12.866 1.00 0.00 C ATOM 1060 C LYS A 72 -5.184 5.598 -11.995 1.00 0.00 C ATOM 1061 O LYS A 72 -5.033 4.380 -12.094 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.477 7.338 -13.769 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.234 7.660 -15.045 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.290 7.853 -16.220 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.916 6.524 -16.858 1.00 0.00 C ATOM 1066 NZ LYS A 72 -6.093 5.858 -17.483 1.00 0.00 N ATOM 0 H LYS A 72 -6.799 7.637 -11.339 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.714 5.603 -13.487 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.311 8.260 -13.212 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.496 6.941 -14.029 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.933 6.854 -15.268 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.825 8.564 -14.900 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.760 8.496 -16.964 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.387 8.363 -15.883 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.148 6.687 -17.614 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.486 5.867 -16.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.905 5.696 -18.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.266 4.947 -17.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.931 6.466 -17.380 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.491 6.345 -11.141 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.493 5.763 -10.251 1.00 0.00 C ATOM 1082 C HIS A 73 -3.121 6.739 -9.139 1.00 0.00 C ATOM 1083 O HIS A 73 -3.387 7.937 -9.238 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.244 5.369 -11.040 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.115 6.344 -10.899 1.00 0.00 C ATOM 1086 ND1 HIS A 73 -1.118 7.694 -10.809 1.00 0.00 N flip ATOM 1087 CD2 HIS A 73 0.208 5.960 -10.839 1.00 0.00 C flip ATOM 1088 CE1 HIS A 73 0.190 8.097 -10.695 1.00 0.00 C flip ATOM 1089 NE2 HIS A 73 0.970 7.032 -10.715 1.00 0.00 N flip ATOM 0 H HIS A 73 -4.602 7.355 -11.047 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.923 4.870 -9.797 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.909 4.387 -10.707 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.504 5.277 -12.094 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.565 4.942 -10.886 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.526 9.119 -10.604 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.988 7.036 -10.646 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.506 6.219 -8.083 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.097 7.044 -6.954 1.00 0.00 C ATOM 1100 C ILE A 74 -0.735 6.614 -6.422 1.00 0.00 C ATOM 1101 O ILE A 74 -0.512 5.438 -6.132 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.126 6.981 -5.809 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.505 7.417 -6.309 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.678 7.853 -4.646 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.628 7.078 -5.354 1.00 0.00 C ATOM 0 H ILE A 74 -2.280 5.229 -7.986 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.034 8.069 -7.320 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.196 5.951 -5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.497 8.493 -6.480 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.701 6.943 -7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.415 7.798 -3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.715 7.501 -4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.583 8.886 -4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.576 7.416 -5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.663 5.999 -5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.456 7.574 -4.399 1.00 0.00 H new ATOM 1117 N VAL A 75 0.175 7.574 -6.294 1.00 0.00 N ATOM 1118 CA VAL A 75 1.516 7.296 -5.793 1.00 0.00 C ATOM 1119 C VAL A 75 1.784 8.044 -4.492 1.00 0.00 C ATOM 1120 O VAL A 75 1.752 9.274 -4.454 1.00 0.00 O ATOM 1121 CB VAL A 75 2.592 7.682 -6.826 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.931 7.063 -6.459 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.164 7.259 -8.223 1.00 0.00 C ATOM 0 H VAL A 75 0.008 8.552 -6.531 1.00 0.00 H new ATOM 0 HA VAL A 75 1.568 6.223 -5.608 1.00 0.00 H new ATOM 0 HB VAL A 75 2.707 8.766 -6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.678 7.347 -7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.240 7.420 -5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.836 5.977 -6.437 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.935 7.539 -8.940 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.020 6.179 -8.248 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.229 7.755 -8.483 1.00 0.00 H new ATOM 1133 N MET A 76 2.047 7.293 -3.428 1.00 0.00 N ATOM 1134 CA MET A 76 2.323 7.886 -2.124 1.00 0.00 C ATOM 1135 C MET A 76 3.297 7.023 -1.329 1.00 0.00 C ATOM 1136 O MET A 76 3.702 5.951 -1.779 1.00 0.00 O ATOM 1137 CB MET A 76 1.023 8.066 -1.337 1.00 0.00 C ATOM 1138 CG MET A 76 0.476 6.770 -0.763 1.00 0.00 C ATOM 1139 SD MET A 76 -1.300 6.839 -0.458 1.00 0.00 S ATOM 1140 CE MET A 76 -1.777 5.159 -0.854 1.00 0.00 C ATOM 0 H MET A 76 2.075 6.273 -3.443 1.00 0.00 H new ATOM 0 HA MET A 76 2.780 8.862 -2.286 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.195 8.770 -0.523 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.271 8.511 -1.989 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.691 5.953 -1.452 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.992 6.544 0.170 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.852 5.043 -0.714 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.521 4.943 -1.891 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.249 4.467 -0.198 1.00 0.00 H new ATOM 1150 N LYS A 77 3.670 7.497 -0.146 1.00 0.00 N ATOM 1151 CA LYS A 77 4.596 6.769 0.713 1.00 0.00 C ATOM 1152 C LYS A 77 3.842 5.911 1.723 1.00 0.00 C ATOM 1153 O LYS A 77 2.693 6.199 2.061 1.00 0.00 O ATOM 1154 CB LYS A 77 5.519 7.745 1.447 1.00 0.00 C ATOM 1155 CG LYS A 77 6.668 8.253 0.594 1.00 0.00 C ATOM 1156 CD LYS A 77 7.725 8.946 1.437 1.00 0.00 C ATOM 1157 CE LYS A 77 7.446 10.436 1.568 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.629 11.179 2.081 1.00 0.00 N ATOM 0 H LYS A 77 3.345 8.383 0.240 1.00 0.00 H new ATOM 0 HA LYS A 77 5.197 6.114 0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.932 8.595 1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.924 7.254 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.119 7.419 0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.287 8.947 -0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.757 8.492 2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.706 8.797 0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.158 10.838 0.597 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.601 10.590 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.388 12.185 2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.910 10.790 3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.418 11.082 1.410 1.00 0.00 H new ATOM 1172 N TRP A 78 4.494 4.857 2.202 1.00 0.00 N ATOM 1173 CA TRP A 78 3.883 3.958 3.174 1.00 0.00 C ATOM 1174 C TRP A 78 4.907 3.495 4.204 1.00 0.00 C ATOM 1175 O TRP A 78 6.023 3.109 3.854 1.00 0.00 O ATOM 1176 CB TRP A 78 3.270 2.748 2.467 1.00 0.00 C ATOM 1177 CG TRP A 78 2.218 2.056 3.279 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.865 2.142 3.113 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.433 1.173 4.385 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.226 1.366 4.049 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.165 0.760 4.841 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.572 0.689 5.034 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 1.008 -0.111 5.916 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.415 -0.176 6.100 1.00 0.00 C ATOM 1185 CH2 TRP A 78 2.141 -0.570 6.532 1.00 0.00 C ATOM 0 H TRP A 78 5.445 4.604 1.933 1.00 0.00 H new ATOM 0 HA TRP A 78 3.095 4.504 3.692 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.835 3.071 1.521 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.061 2.037 2.228 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.370 2.733 2.357 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.784 1.258 4.140 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.558 0.986 4.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 0.027 -0.414 6.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.289 -0.555 6.609 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.052 -1.249 7.367 1.00 0.00 H new ATOM 1196 N ARG A 79 4.522 3.535 5.476 1.00 0.00 N ATOM 1197 CA ARG A 79 5.408 3.120 6.556 1.00 0.00 C ATOM 1198 C ARG A 79 4.625 2.903 7.848 1.00 0.00 C ATOM 1199 O ARG A 79 3.435 3.212 7.925 1.00 0.00 O ATOM 1200 CB ARG A 79 6.500 4.167 6.779 1.00 0.00 C ATOM 1201 CG ARG A 79 5.975 5.493 7.306 1.00 0.00 C ATOM 1202 CD ARG A 79 7.018 6.209 8.149 1.00 0.00 C ATOM 1203 NE ARG A 79 7.216 5.561 9.442 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.705 6.183 10.509 1.00 0.00 C ATOM 1205 NH1 ARG A 79 8.044 7.462 10.437 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.856 5.524 11.652 1.00 0.00 N ATOM 0 H ARG A 79 3.602 3.851 5.783 1.00 0.00 H new ATOM 0 HA ARG A 79 5.872 2.176 6.269 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.233 3.771 7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.022 4.341 5.838 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.683 6.128 6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.079 5.320 7.903 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.964 6.236 7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.710 7.243 8.305 1.00 0.00 H new ATOM 0 HE ARG A 79 6.965 4.576 9.531 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.930 7.971 9.561 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.419 7.937 11.258 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.596 4.539 11.711 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.232 6.002 12.471 1.00 0.00 H new ATOM 1220 N PHE A 80 5.300 2.369 8.861 1.00 0.00 N ATOM 1221 CA PHE A 80 4.668 2.110 10.149 1.00 0.00 C ATOM 1222 C PHE A 80 5.143 3.109 11.199 1.00 0.00 C ATOM 1223 O PHE A 80 6.123 3.826 10.993 1.00 0.00 O ATOM 1224 CB PHE A 80 4.971 0.683 10.612 1.00 0.00 C ATOM 1225 CG PHE A 80 3.910 -0.309 10.232 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.573 -0.044 10.484 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.248 -1.507 9.624 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.593 -0.954 10.135 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.273 -2.421 9.273 1.00 0.00 C ATOM 1230 CZ PHE A 80 1.944 -2.145 9.530 1.00 0.00 C ATOM 0 H PHE A 80 6.285 2.107 8.814 1.00 0.00 H new ATOM 0 HA PHE A 80 3.591 2.224 10.026 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.923 0.366 10.186 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.090 0.679 11.696 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.294 0.885 10.959 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.285 -1.729 9.422 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.555 -0.734 10.335 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.550 -3.351 8.798 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.181 -2.859 9.258 1.00 0.00 H new ATOM 1240 N LYS A 81 4.441 3.152 12.327 1.00 0.00 N ATOM 1241 CA LYS A 81 4.790 4.062 13.412 1.00 0.00 C ATOM 1242 C LYS A 81 5.998 3.547 14.187 1.00 0.00 C ATOM 1243 O LYS A 81 6.479 4.201 15.112 1.00 0.00 O ATOM 1244 CB LYS A 81 3.601 4.239 14.358 1.00 0.00 C ATOM 1245 CG LYS A 81 3.967 4.890 15.680 1.00 0.00 C ATOM 1246 CD LYS A 81 4.383 3.858 16.715 1.00 0.00 C ATOM 1247 CE LYS A 81 3.180 3.297 17.457 1.00 0.00 C ATOM 1248 NZ LYS A 81 3.561 2.181 18.367 1.00 0.00 N ATOM 0 H LYS A 81 3.627 2.567 12.513 1.00 0.00 H new ATOM 0 HA LYS A 81 5.046 5.027 12.975 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.841 4.843 13.863 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.155 3.264 14.554 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.780 5.599 15.524 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.116 5.459 16.054 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.921 3.046 16.225 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.072 4.312 17.427 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.707 4.091 18.034 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.442 2.943 16.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.714 1.826 18.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.990 1.412 17.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.246 2.525 19.070 1.00 0.00 H new ATOM 1262 N SER A 82 6.485 2.371 13.803 1.00 0.00 N ATOM 1263 CA SER A 82 7.636 1.767 14.464 1.00 0.00 C ATOM 1264 C SER A 82 8.804 1.621 13.495 1.00 0.00 C ATOM 1265 O SER A 82 9.800 0.965 13.800 1.00 0.00 O ATOM 1266 CB SER A 82 7.261 0.399 15.039 1.00 0.00 C ATOM 1267 OG SER A 82 8.346 -0.169 15.752 1.00 0.00 O ATOM 0 H SER A 82 6.100 1.818 13.037 1.00 0.00 H new ATOM 0 HA SER A 82 7.942 2.424 15.278 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.401 0.502 15.701 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.963 -0.269 14.231 1.00 0.00 H new ATOM 0 HG SER A 82 9.179 -0.008 15.262 1.00 0.00 H new ATOM 1273 N TRP A 83 8.675 2.238 12.325 1.00 0.00 N ATOM 1274 CA TRP A 83 9.720 2.177 11.310 1.00 0.00 C ATOM 1275 C TRP A 83 10.818 3.195 11.597 1.00 0.00 C ATOM 1276 O TRP A 83 10.597 4.213 12.254 1.00 0.00 O ATOM 1277 CB TRP A 83 9.126 2.427 9.922 1.00 0.00 C ATOM 1278 CG TRP A 83 8.555 1.194 9.290 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.205 0.035 9.922 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.270 0.997 7.901 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.720 -0.870 9.010 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.748 -0.304 7.763 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.403 1.794 6.760 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.362 -0.824 6.531 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 8.019 1.276 5.538 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.503 -0.022 5.431 1.00 0.00 C ATOM 0 H TRP A 83 7.857 2.786 12.056 1.00 0.00 H new ATOM 0 HA TRP A 83 10.159 1.180 11.336 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.344 3.182 10.000 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.900 2.835 9.272 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.296 -0.144 10.983 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.392 -1.811 9.226 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.799 2.796 6.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 6.965 -1.825 6.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.118 1.882 4.650 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.211 -0.397 4.461 1.00 0.00 H new ATOM 1297 N PRO A 84 12.030 2.917 11.095 1.00 0.00 N ATOM 1298 CA PRO A 84 13.187 3.798 11.285 1.00 0.00 C ATOM 1299 C PRO A 84 12.881 5.244 10.912 1.00 0.00 C ATOM 1300 O PRO A 84 11.785 5.556 10.449 1.00 0.00 O ATOM 1301 CB PRO A 84 14.238 3.212 10.340 1.00 0.00 C ATOM 1302 CG PRO A 84 13.874 1.773 10.213 1.00 0.00 C ATOM 1303 CD PRO A 84 12.365 1.722 10.303 1.00 0.00 C ATOM 0 HA PRO A 84 13.505 3.835 12.327 1.00 0.00 H new ATOM 0 HB2 PRO A 84 14.222 3.711 9.371 1.00 0.00 H new ATOM 0 HB3 PRO A 84 15.244 3.332 10.743 1.00 0.00 H new ATOM 0 HG2 PRO A 84 14.224 1.363 9.265 1.00 0.00 H new ATOM 0 HG3 PRO A 84 14.334 1.182 11.005 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.902 1.751 9.316 1.00 0.00 H new ATOM 0 HD3 PRO A 84 12.022 0.809 10.789 1.00 0.00 H new ATOM 1311 N GLU A 85 13.858 6.122 11.116 1.00 0.00 N ATOM 1312 CA GLU A 85 13.692 7.536 10.800 1.00 0.00 C ATOM 1313 C GLU A 85 13.837 7.780 9.301 1.00 0.00 C ATOM 1314 O GLU A 85 14.696 7.192 8.645 1.00 0.00 O ATOM 1315 CB GLU A 85 14.717 8.376 11.565 1.00 0.00 C ATOM 1316 CG GLU A 85 14.750 9.834 11.137 1.00 0.00 C ATOM 1317 CD GLU A 85 13.753 10.688 11.896 1.00 0.00 C ATOM 1318 OE1 GLU A 85 12.537 10.525 11.664 1.00 0.00 O ATOM 1319 OE2 GLU A 85 14.188 11.518 12.720 1.00 0.00 O ATOM 0 H GLU A 85 14.772 5.879 11.498 1.00 0.00 H new ATOM 0 HA GLU A 85 12.688 7.834 11.104 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.494 8.324 12.631 1.00 0.00 H new ATOM 0 HB3 GLU A 85 15.707 7.942 11.425 1.00 0.00 H new ATOM 0 HG2 GLU A 85 15.753 10.231 11.290 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.541 9.900 10.069 1.00 0.00 H new ATOM 1326 N GLY A 86 12.987 8.650 8.764 1.00 0.00 N ATOM 1327 CA GLY A 86 13.036 8.956 7.346 1.00 0.00 C ATOM 1328 C GLY A 86 13.118 7.710 6.487 1.00 0.00 C ATOM 1329 O GLY A 86 13.939 7.631 5.572 1.00 0.00 O ATOM 0 H GLY A 86 12.266 9.148 9.285 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.149 9.526 7.070 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.899 9.590 7.144 1.00 0.00 H new ATOM 1333 N HIS A 87 12.266 6.733 6.781 1.00 0.00 N ATOM 1334 CA HIS A 87 12.247 5.483 6.029 1.00 0.00 C ATOM 1335 C HIS A 87 10.824 5.119 5.617 1.00 0.00 C ATOM 1336 O HIS A 87 10.068 4.544 6.400 1.00 0.00 O ATOM 1337 CB HIS A 87 12.855 4.353 6.860 1.00 0.00 C ATOM 1338 CG HIS A 87 13.204 3.139 6.056 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.502 2.778 5.763 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.415 2.199 5.485 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.496 1.669 5.044 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.242 1.297 4.862 1.00 0.00 N ATOM 0 H HIS A 87 11.580 6.783 7.534 1.00 0.00 H new ATOM 0 HA HIS A 87 12.844 5.621 5.127 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.753 4.721 7.356 1.00 0.00 H new ATOM 0 HB3 HIS A 87 12.152 4.070 7.643 1.00 0.00 H new ATOM 0 HD1 HIS A 87 15.336 3.287 6.055 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.336 2.165 5.514 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.368 1.154 4.669 1.00 0.00 H new ATOM 1351 N PHE A 88 10.465 5.459 4.384 1.00 0.00 N ATOM 1352 CA PHE A 88 9.132 5.169 3.868 1.00 0.00 C ATOM 1353 C PHE A 88 9.207 4.265 2.641 1.00 0.00 C ATOM 1354 O PHE A 88 10.292 3.968 2.142 1.00 0.00 O ATOM 1355 CB PHE A 88 8.405 6.468 3.514 1.00 0.00 C ATOM 1356 CG PHE A 88 8.096 7.326 4.708 1.00 0.00 C ATOM 1357 CD1 PHE A 88 9.115 7.823 5.503 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.785 7.636 5.034 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.834 8.613 6.602 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.498 8.426 6.131 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.524 8.914 6.916 1.00 0.00 C ATOM 0 H PHE A 88 11.078 5.936 3.723 1.00 0.00 H new ATOM 0 HA PHE A 88 8.574 4.649 4.647 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.017 7.039 2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.475 6.226 3.000 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.142 7.591 5.262 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.979 7.256 4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.638 8.994 7.214 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.472 8.661 6.374 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.302 9.530 7.775 1.00 0.00 H new ATOM 1371 N ALA A 89 8.047 3.830 2.162 1.00 0.00 N ATOM 1372 CA ALA A 89 7.980 2.961 0.993 1.00 0.00 C ATOM 1373 C ALA A 89 7.152 3.597 -0.118 1.00 0.00 C ATOM 1374 O ALA A 89 6.040 4.071 0.116 1.00 0.00 O ATOM 1375 CB ALA A 89 7.402 1.606 1.375 1.00 0.00 C ATOM 0 H ALA A 89 7.140 4.065 2.565 1.00 0.00 H new ATOM 0 HA ALA A 89 8.994 2.819 0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.358 0.967 0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.036 1.140 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.398 1.739 1.777 1.00 0.00 H new ATOM 1381 N THR A 90 7.702 3.606 -1.328 1.00 0.00 N ATOM 1382 CA THR A 90 7.014 4.186 -2.475 1.00 0.00 C ATOM 1383 C THR A 90 5.931 3.250 -2.998 1.00 0.00 C ATOM 1384 O THR A 90 6.226 2.245 -3.646 1.00 0.00 O ATOM 1385 CB THR A 90 7.998 4.504 -3.617 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.125 5.226 -3.107 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.317 5.321 -4.706 1.00 0.00 C ATOM 0 H THR A 90 8.622 3.218 -1.539 1.00 0.00 H new ATOM 0 HA THR A 90 6.554 5.113 -2.133 1.00 0.00 H new ATOM 0 HB THR A 90 8.336 3.562 -4.048 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.746 5.423 -3.839 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.031 5.534 -5.502 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.478 4.757 -5.113 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.954 6.258 -4.284 1.00 0.00 H new ATOM 1395 N ILE A 91 4.678 3.586 -2.714 1.00 0.00 N ATOM 1396 CA ILE A 91 3.551 2.775 -3.158 1.00 0.00 C ATOM 1397 C ILE A 91 2.800 3.455 -4.298 1.00 0.00 C ATOM 1398 O ILE A 91 2.402 4.615 -4.190 1.00 0.00 O ATOM 1399 CB ILE A 91 2.568 2.497 -2.005 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.116 1.397 -1.093 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.204 2.107 -2.554 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.424 1.760 -0.426 1.00 0.00 C ATOM 0 H ILE A 91 4.417 4.414 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 91 3.962 1.829 -3.510 1.00 0.00 H new ATOM 0 HB ILE A 91 2.454 3.408 -1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.376 1.171 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.256 0.488 -1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.521 1.914 -1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.812 2.919 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.300 1.208 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.752 0.934 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.178 1.957 -1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.285 2.651 0.186 1.00 0.00 H new ATOM 1414 N THR A 92 2.607 2.724 -5.391 1.00 0.00 N ATOM 1415 CA THR A 92 1.904 3.255 -6.552 1.00 0.00 C ATOM 1416 C THR A 92 0.703 2.387 -6.911 1.00 0.00 C ATOM 1417 O THR A 92 0.846 1.348 -7.557 1.00 0.00 O ATOM 1418 CB THR A 92 2.834 3.356 -7.775 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.825 4.366 -7.554 1.00 0.00 O ATOM 1420 CG2 THR A 92 2.042 3.683 -9.032 1.00 0.00 C ATOM 0 H THR A 92 2.928 1.762 -5.497 1.00 0.00 H new ATOM 0 HA THR A 92 1.560 4.254 -6.284 1.00 0.00 H new ATOM 0 HB THR A 92 3.322 2.391 -7.913 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.414 4.423 -8.335 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.720 3.749 -9.883 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.308 2.898 -9.214 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.530 4.636 -8.902 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.481 2.820 -6.490 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.708 2.082 -6.769 1.00 0.00 C ATOM 1430 C LEU A 93 -2.250 2.430 -8.152 1.00 0.00 C ATOM 1431 O LEU A 93 -1.918 3.472 -8.718 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.763 2.387 -5.704 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.512 1.788 -4.320 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.368 2.485 -3.274 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.789 0.292 -4.328 1.00 0.00 C ATOM 0 H LEU A 93 -0.617 3.678 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.476 1.017 -6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.844 3.469 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.728 2.029 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.464 1.941 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.176 2.046 -2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.121 3.546 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.421 2.363 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.605 -0.117 -3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.828 0.116 -4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.133 -0.196 -5.049 1.00 0.00 H new ATOM 1447 N THR A 94 -3.088 1.550 -8.692 1.00 0.00 N ATOM 1448 CA THR A 94 -3.677 1.763 -10.007 1.00 0.00 C ATOM 1449 C THR A 94 -5.079 1.169 -10.085 1.00 0.00 C ATOM 1450 O THR A 94 -5.301 0.023 -9.696 1.00 0.00 O ATOM 1451 CB THR A 94 -2.808 1.146 -11.119 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.427 1.195 -10.745 1.00 0.00 O ATOM 1453 CG2 THR A 94 -3.009 1.883 -12.435 1.00 0.00 C ATOM 0 H THR A 94 -3.374 0.683 -8.238 1.00 0.00 H new ATOM 0 HA THR A 94 -3.733 2.841 -10.156 1.00 0.00 H new ATOM 0 HB THR A 94 -3.111 0.108 -11.253 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.881 0.800 -11.456 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.385 1.429 -13.205 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.056 1.819 -12.732 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.730 2.930 -12.312 1.00 0.00 H new ATOM 1461 N PHE A 95 -6.023 1.956 -10.591 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.404 1.508 -10.720 1.00 0.00 C ATOM 1463 C PHE A 95 -7.739 1.187 -12.174 1.00 0.00 C ATOM 1464 O PHE A 95 -7.605 2.038 -13.054 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.362 2.576 -10.187 1.00 0.00 C ATOM 1466 CG PHE A 95 -8.045 3.022 -8.789 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -6.916 3.782 -8.528 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.876 2.681 -7.734 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.622 4.192 -7.242 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.587 3.089 -6.445 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.459 3.847 -6.199 1.00 0.00 C ATOM 0 H PHE A 95 -5.856 2.908 -10.918 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.521 0.599 -10.130 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.335 3.440 -10.850 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.379 2.186 -10.213 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.258 4.057 -9.339 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.760 2.089 -7.921 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.738 4.782 -7.052 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.242 2.815 -5.631 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.232 4.169 -5.193 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.174 -0.044 -12.417 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.528 -0.477 -13.763 1.00 0.00 C ATOM 1483 C ILE A 96 -10.018 -0.785 -13.867 1.00 0.00 C ATOM 1484 O ILE A 96 -10.666 -1.112 -12.872 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.727 -1.723 -14.183 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.232 -1.496 -13.953 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -7.999 -2.061 -15.641 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.418 -2.771 -13.965 1.00 0.00 C ATOM 0 H ILE A 96 -8.290 -0.760 -11.699 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.282 0.346 -14.434 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.046 -2.566 -13.570 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.852 -0.825 -14.723 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.092 -0.994 -12.996 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.426 -2.944 -15.923 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.062 -2.260 -15.776 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.705 -1.221 -16.270 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.368 -2.534 -13.796 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.771 -3.436 -13.177 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.528 -3.264 -14.931 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.555 -0.681 -15.077 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.969 -0.951 -15.313 1.00 0.00 C ATOM 1502 C ASP A 97 -12.159 -2.316 -15.967 1.00 0.00 C ATOM 1503 O ASP A 97 -11.516 -2.632 -16.969 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.579 0.140 -16.194 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.853 -0.314 -16.879 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -14.794 -0.724 -16.169 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -13.908 -0.260 -18.126 1.00 0.00 O ATOM 0 H ASP A 97 -10.033 -0.412 -15.911 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.479 -0.955 -14.349 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.791 1.019 -15.585 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.852 0.443 -16.948 1.00 0.00 H new ATOM 1512 N LYS A 98 -13.046 -3.123 -15.394 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.322 -4.454 -15.921 1.00 0.00 C ATOM 1514 C LYS A 98 -14.808 -4.622 -16.224 1.00 0.00 C ATOM 1515 O LYS A 98 -15.287 -5.736 -16.429 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.870 -5.523 -14.924 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.445 -5.333 -14.432 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.447 -6.054 -15.323 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.219 -6.493 -14.541 1.00 0.00 C ATOM 1520 NZ LYS A 98 -8.122 -6.947 -15.441 1.00 0.00 N ATOM 0 H LYS A 98 -13.586 -2.878 -14.564 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.764 -4.573 -16.850 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.545 -5.518 -14.068 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.956 -6.504 -15.392 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.207 -4.270 -14.404 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.359 -5.706 -13.411 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.923 -6.925 -15.774 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.145 -5.397 -16.139 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.865 -5.666 -13.926 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.490 -7.302 -13.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.217 -6.914 -14.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.309 -7.922 -15.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.073 -6.323 -16.271 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.531 -3.507 -16.251 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.963 -3.532 -16.530 1.00 0.00 C ATOM 1536 C ASN A 99 -17.739 -4.083 -15.338 1.00 0.00 C ATOM 1537 O ASN A 99 -18.574 -4.975 -15.487 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.247 -4.376 -17.773 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.462 -3.889 -18.538 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.338 -3.195 -19.547 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.647 -4.252 -18.059 1.00 0.00 N ATOM 0 H ASN A 99 -15.150 -2.576 -16.083 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.291 -2.509 -16.712 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.376 -4.356 -18.429 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.400 -5.414 -17.477 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.501 -3.954 -18.531 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.703 -4.828 -17.219 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.459 -3.545 -14.155 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.140 -3.995 -12.955 1.00 0.00 C ATOM 1550 C GLY A 100 -17.206 -4.113 -11.768 1.00 0.00 C ATOM 1551 O GLY A 100 -17.615 -3.907 -10.626 1.00 0.00 O ATOM 0 H GLY A 100 -16.773 -2.805 -14.006 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.943 -3.298 -12.714 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.604 -4.963 -13.146 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.947 -4.447 -12.037 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.954 -4.594 -10.981 1.00 0.00 C ATOM 1557 C GLU A 101 -13.746 -3.698 -11.241 1.00 0.00 C ATOM 1558 O GLU A 101 -13.597 -3.137 -12.327 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.506 -6.053 -10.871 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.647 -7.050 -10.980 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.179 -8.488 -10.867 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.046 -8.778 -11.305 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.945 -9.323 -10.342 1.00 0.00 O ATOM 0 H GLU A 101 -15.592 -4.621 -12.977 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.414 -4.291 -10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.777 -6.261 -11.655 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.998 -6.197 -9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.378 -6.847 -10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.156 -6.911 -11.934 1.00 0.00 H new ATOM 1570 N THR A 102 -12.885 -3.568 -10.236 1.00 0.00 N ATOM 1571 CA THR A 102 -11.692 -2.740 -10.354 1.00 0.00 C ATOM 1572 C THR A 102 -10.455 -3.484 -9.864 1.00 0.00 C ATOM 1573 O THR A 102 -10.413 -3.954 -8.728 1.00 0.00 O ATOM 1574 CB THR A 102 -11.837 -1.429 -9.558 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.941 -0.670 -10.061 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.564 -0.600 -9.643 1.00 0.00 C ATOM 0 H THR A 102 -12.992 -4.026 -9.331 1.00 0.00 H new ATOM 0 HA THR A 102 -11.575 -2.504 -11.412 1.00 0.00 H new ATOM 0 HB THR A 102 -12.017 -1.683 -8.513 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.679 -0.701 -9.417 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.691 0.321 -9.073 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.731 -1.170 -9.232 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.357 -0.356 -10.685 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.451 -3.587 -10.729 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.213 -4.276 -10.383 1.00 0.00 C ATOM 1586 C GLU A 103 -7.192 -3.301 -9.804 1.00 0.00 C ATOM 1587 O GLU A 103 -6.576 -2.523 -10.534 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.629 -4.972 -11.614 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.284 -5.632 -11.359 1.00 0.00 C ATOM 1590 CD GLU A 103 -6.020 -6.797 -12.294 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -6.089 -6.596 -13.525 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -5.746 -7.908 -11.795 1.00 0.00 O ATOM 0 H GLU A 103 -9.470 -3.203 -11.674 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.444 -5.026 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.334 -5.726 -11.963 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.520 -4.242 -12.416 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.492 -4.892 -11.474 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.245 -5.982 -10.328 1.00 0.00 H new ATOM 1599 N LEU A 104 -7.019 -3.348 -8.488 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.073 -2.469 -7.809 1.00 0.00 C ATOM 1601 C LEU A 104 -4.667 -3.059 -7.832 1.00 0.00 C ATOM 1602 O LEU A 104 -4.361 -3.989 -7.084 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.514 -2.231 -6.364 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.671 -1.242 -5.558 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -5.974 0.187 -5.982 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -5.916 -1.422 -4.067 1.00 0.00 C ATOM 0 H LEU A 104 -7.521 -3.985 -7.870 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.056 -1.517 -8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.544 -1.875 -6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.512 -3.188 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.619 -1.443 -5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.365 0.877 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.745 0.309 -7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.029 0.401 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.308 -0.710 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.970 -1.249 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.647 -2.437 -3.774 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.816 -2.514 -8.694 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.441 -2.986 -8.814 1.00 0.00 C ATOM 1620 C CYS A 105 -1.508 -2.175 -7.921 1.00 0.00 C ATOM 1621 O CYS A 105 -1.040 -1.103 -8.306 1.00 0.00 O ATOM 1622 CB CYS A 105 -1.976 -2.902 -10.269 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.441 -3.796 -10.606 1.00 0.00 S ATOM 0 H CYS A 105 -4.054 -1.745 -9.320 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.410 -4.026 -8.490 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.762 -3.295 -10.914 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.840 -1.854 -10.536 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.131 -3.668 -11.862 1.00 0.00 H new ATOM 1629 N MET A 106 -1.242 -2.693 -6.726 1.00 0.00 N ATOM 1630 CA MET A 106 -0.364 -2.016 -5.779 1.00 0.00 C ATOM 1631 C MET A 106 1.093 -2.397 -6.019 1.00 0.00 C ATOM 1632 O MET A 106 1.411 -3.567 -6.227 1.00 0.00 O ATOM 1633 CB MET A 106 -0.764 -2.363 -4.343 1.00 0.00 C ATOM 1634 CG MET A 106 -0.109 -1.475 -3.298 1.00 0.00 C ATOM 1635 SD MET A 106 1.671 -1.740 -3.179 1.00 0.00 S ATOM 1636 CE MET A 106 1.808 -2.369 -1.508 1.00 0.00 C ATOM 0 H MET A 106 -1.622 -3.578 -6.391 1.00 0.00 H new ATOM 0 HA MET A 106 -0.469 -0.941 -5.929 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.847 -2.285 -4.247 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.501 -3.401 -4.142 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.301 -0.430 -3.542 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.566 -1.665 -2.327 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.552 -3.165 -1.479 1.00 0.00 H new ATOM 0 HE2 MET A 106 2.113 -1.563 -0.840 1.00 0.00 H new ATOM 0 HE3 MET A 106 0.843 -2.761 -1.187 1.00 0.00 H new ATOM 1646 N GLU A 107 1.973 -1.401 -5.989 1.00 0.00 N ATOM 1647 CA GLU A 107 3.396 -1.633 -6.206 1.00 0.00 C ATOM 1648 C GLU A 107 4.233 -0.877 -5.178 1.00 0.00 C ATOM 1649 O GLU A 107 4.497 0.315 -5.332 1.00 0.00 O ATOM 1650 CB GLU A 107 3.797 -1.207 -7.620 1.00 0.00 C ATOM 1651 CG GLU A 107 5.084 -1.849 -8.108 1.00 0.00 C ATOM 1652 CD GLU A 107 5.709 -1.097 -9.266 1.00 0.00 C ATOM 1653 OE1 GLU A 107 5.764 0.149 -9.204 1.00 0.00 O ATOM 1654 OE2 GLU A 107 6.143 -1.754 -10.235 1.00 0.00 O ATOM 0 H GLU A 107 1.726 -0.427 -5.817 1.00 0.00 H new ATOM 0 HA GLU A 107 3.585 -2.700 -6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.991 -1.460 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.909 -0.123 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.796 -1.897 -7.284 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.880 -2.875 -8.414 1.00 0.00 H new ATOM 1661 N GLY A 108 4.648 -1.580 -4.128 1.00 0.00 N ATOM 1662 CA GLY A 108 5.450 -0.959 -3.090 1.00 0.00 C ATOM 1663 C GLY A 108 6.903 -1.389 -3.145 1.00 0.00 C ATOM 1664 O GLY A 108 7.202 -2.582 -3.205 1.00 0.00 O ATOM 0 H GLY A 108 4.443 -2.568 -3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.391 0.125 -3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.036 -1.213 -2.114 1.00 0.00 H new ATOM 1668 N ARG A 109 7.807 -0.416 -3.125 1.00 0.00 N ATOM 1669 CA ARG A 109 9.236 -0.700 -3.176 1.00 0.00 C ATOM 1670 C ARG A 109 9.997 0.153 -2.165 1.00 0.00 C ATOM 1671 O ARG A 109 10.046 1.376 -2.281 1.00 0.00 O ATOM 1672 CB ARG A 109 9.779 -0.446 -4.583 1.00 0.00 C ATOM 1673 CG ARG A 109 9.790 1.022 -4.976 1.00 0.00 C ATOM 1674 CD ARG A 109 9.575 1.200 -6.471 1.00 0.00 C ATOM 1675 NE ARG A 109 10.250 2.390 -6.983 1.00 0.00 N ATOM 1676 CZ ARG A 109 9.872 3.034 -8.082 1.00 0.00 C ATOM 1677 NH1 ARG A 109 8.829 2.606 -8.779 1.00 0.00 N ATOM 1678 NH2 ARG A 109 10.537 4.110 -8.484 1.00 0.00 N ATOM 0 H ARG A 109 7.576 0.576 -3.074 1.00 0.00 H new ATOM 0 HA ARG A 109 9.380 -1.750 -2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.794 -0.838 -4.648 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.176 -1.001 -5.302 1.00 0.00 H new ATOM 0 HG2 ARG A 109 9.010 1.552 -4.429 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.741 1.470 -4.688 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.943 0.320 -6.998 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.507 1.272 -6.678 1.00 0.00 H new ATOM 0 HE ARG A 109 11.056 2.746 -6.469 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.315 1.780 -8.472 1.00 0.00 H new ATOM 0 HH12 ARG A 109 8.541 3.102 -9.622 1.00 0.00 H new ATOM 0 HH21 ARG A 109 11.339 4.443 -7.949 1.00 0.00 H new ATOM 0 HH22 ARG A 109 10.246 4.604 -9.328 1.00 0.00 H new ATOM 1692 N GLY A 110 10.588 -0.503 -1.171 1.00 0.00 N ATOM 1693 CA GLY A 110 11.337 0.211 -0.153 1.00 0.00 C ATOM 1694 C GLY A 110 10.947 -0.204 1.252 1.00 0.00 C ATOM 1695 O GLY A 110 11.330 0.444 2.226 1.00 0.00 O ATOM 0 H GLY A 110 10.562 -1.516 -1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.402 0.033 -0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.174 1.282 -0.271 1.00 0.00 H new ATOM 1699 N ILE A 111 10.182 -1.285 1.357 1.00 0.00 N ATOM 1700 CA ILE A 111 9.739 -1.784 2.653 1.00 0.00 C ATOM 1701 C ILE A 111 10.856 -2.547 3.359 1.00 0.00 C ATOM 1702 O ILE A 111 11.411 -3.511 2.833 1.00 0.00 O ATOM 1703 CB ILE A 111 8.513 -2.705 2.513 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.278 -1.890 2.123 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.268 -3.462 3.809 1.00 0.00 C ATOM 1706 CD1 ILE A 111 7.082 -1.766 0.629 1.00 0.00 C ATOM 0 H ILE A 111 9.856 -1.832 0.560 1.00 0.00 H new ATOM 0 HA ILE A 111 9.463 -0.914 3.249 1.00 0.00 H new ATOM 0 HB ILE A 111 8.710 -3.431 1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.394 -2.354 2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.360 -0.892 2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.398 -4.109 3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.142 -4.068 4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.088 -2.752 4.616 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.188 -1.176 0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.949 -1.274 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 111 6.967 -2.759 0.193 1.00 0.00 H new ATOM 1718 N PRO A 112 11.192 -2.106 4.580 1.00 0.00 N ATOM 1719 CA PRO A 112 12.244 -2.735 5.386 1.00 0.00 C ATOM 1720 C PRO A 112 12.102 -4.252 5.443 1.00 0.00 C ATOM 1721 O PRO A 112 11.082 -4.773 5.893 1.00 0.00 O ATOM 1722 CB PRO A 112 12.037 -2.126 6.775 1.00 0.00 C ATOM 1723 CG PRO A 112 11.383 -0.812 6.519 1.00 0.00 C ATOM 1724 CD PRO A 112 10.572 -0.962 5.269 1.00 0.00 C ATOM 0 HA PRO A 112 13.236 -2.558 4.971 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.411 -2.765 7.398 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.985 -2.001 7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.749 -0.527 7.358 1.00 0.00 H new ATOM 0 HG3 PRO A 112 12.129 -0.026 6.402 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.523 -1.152 5.494 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.609 -0.060 4.658 1.00 0.00 H new ATOM 1732 N ALA A 113 13.132 -4.955 4.984 1.00 0.00 N ATOM 1733 CA ALA A 113 13.122 -6.413 4.986 1.00 0.00 C ATOM 1734 C ALA A 113 12.656 -6.958 6.332 1.00 0.00 C ATOM 1735 O ALA A 113 11.808 -7.846 6.409 1.00 0.00 O ATOM 1736 CB ALA A 113 14.505 -6.950 4.647 1.00 0.00 C ATOM 0 H ALA A 113 13.983 -4.539 4.606 1.00 0.00 H new ATOM 0 HA ALA A 113 12.417 -6.748 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.483 -8.040 4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.800 -6.597 3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.224 -6.598 5.387 1.00 0.00 H new ATOM 1742 N PRO A 114 13.224 -6.414 7.419 1.00 0.00 N ATOM 1743 CA PRO A 114 12.881 -6.831 8.782 1.00 0.00 C ATOM 1744 C PRO A 114 11.386 -6.725 9.063 1.00 0.00 C ATOM 1745 O PRO A 114 10.827 -7.529 9.808 1.00 0.00 O ATOM 1746 CB PRO A 114 13.661 -5.849 9.660 1.00 0.00 C ATOM 1747 CG PRO A 114 14.798 -5.400 8.808 1.00 0.00 C ATOM 1748 CD PRO A 114 14.242 -5.351 7.401 1.00 0.00 C ATOM 0 HA PRO A 114 13.130 -7.877 8.963 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.038 -5.008 9.964 1.00 0.00 H new ATOM 0 HB3 PRO A 114 14.015 -6.329 10.572 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.163 -4.422 9.122 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.638 -6.091 8.876 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.808 -4.378 7.171 1.00 0.00 H new ATOM 0 HD3 PRO A 114 15.013 -5.541 6.654 1.00 0.00 H new ATOM 1756 N GLU A 115 10.745 -5.728 8.461 1.00 0.00 N ATOM 1757 CA GLU A 115 9.314 -5.517 8.648 1.00 0.00 C ATOM 1758 C GLU A 115 8.540 -5.894 7.388 1.00 0.00 C ATOM 1759 O GLU A 115 7.322 -5.734 7.326 1.00 0.00 O ATOM 1760 CB GLU A 115 9.034 -4.059 9.015 1.00 0.00 C ATOM 1761 CG GLU A 115 9.832 -3.568 10.212 1.00 0.00 C ATOM 1762 CD GLU A 115 9.193 -3.948 11.534 1.00 0.00 C ATOM 1763 OE1 GLU A 115 8.304 -3.204 11.997 1.00 0.00 O ATOM 1764 OE2 GLU A 115 9.583 -4.988 12.104 1.00 0.00 O ATOM 0 H GLU A 115 11.193 -5.054 7.840 1.00 0.00 H new ATOM 0 HA GLU A 115 8.982 -6.159 9.464 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.259 -3.427 8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.971 -3.944 9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.839 -3.982 10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.930 -2.484 10.158 1.00 0.00 H new ATOM 1771 N GLU A 116 9.258 -6.394 6.387 1.00 0.00 N ATOM 1772 CA GLU A 116 8.638 -6.792 5.128 1.00 0.00 C ATOM 1773 C GLU A 116 7.403 -7.653 5.378 1.00 0.00 C ATOM 1774 O GLU A 116 6.281 -7.246 5.080 1.00 0.00 O ATOM 1775 CB GLU A 116 9.640 -7.557 4.260 1.00 0.00 C ATOM 1776 CG GLU A 116 9.031 -8.135 2.994 1.00 0.00 C ATOM 1777 CD GLU A 116 10.033 -8.920 2.171 1.00 0.00 C ATOM 1778 OE1 GLU A 116 11.249 -8.774 2.419 1.00 0.00 O ATOM 1779 OE2 GLU A 116 9.603 -9.680 1.278 1.00 0.00 O ATOM 0 H GLU A 116 10.268 -6.533 6.423 1.00 0.00 H new ATOM 0 HA GLU A 116 8.329 -5.888 4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.457 -6.889 3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.073 -8.367 4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.197 -8.784 3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.624 -7.325 2.388 1.00 0.00 H new ATOM 1786 N GLU A 117 7.621 -8.845 5.926 1.00 0.00 N ATOM 1787 CA GLU A 117 6.526 -9.763 6.214 1.00 0.00 C ATOM 1788 C GLU A 117 5.403 -9.053 6.965 1.00 0.00 C ATOM 1789 O GLU A 117 4.264 -9.008 6.501 1.00 0.00 O ATOM 1790 CB GLU A 117 7.031 -10.952 7.034 1.00 0.00 C ATOM 1791 CG GLU A 117 5.923 -11.871 7.520 1.00 0.00 C ATOM 1792 CD GLU A 117 6.437 -13.233 7.943 1.00 0.00 C ATOM 1793 OE1 GLU A 117 7.304 -13.286 8.841 1.00 0.00 O ATOM 1794 OE2 GLU A 117 5.975 -14.245 7.377 1.00 0.00 O ATOM 0 H GLU A 117 8.545 -9.196 6.179 1.00 0.00 H new ATOM 0 HA GLU A 117 6.131 -10.126 5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.731 -11.529 6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.586 -10.579 7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.411 -11.403 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.186 -11.996 6.727 1.00 0.00 H new ATOM 1801 N ARG A 118 5.734 -8.501 8.128 1.00 0.00 N ATOM 1802 CA ARG A 118 4.754 -7.795 8.944 1.00 0.00 C ATOM 1803 C ARG A 118 3.927 -6.836 8.093 1.00 0.00 C ATOM 1804 O ARG A 118 2.702 -6.784 8.208 1.00 0.00 O ATOM 1805 CB ARG A 118 5.453 -7.026 10.066 1.00 0.00 C ATOM 1806 CG ARG A 118 4.507 -6.194 10.916 1.00 0.00 C ATOM 1807 CD ARG A 118 5.213 -4.992 11.523 1.00 0.00 C ATOM 1808 NE ARG A 118 4.280 -4.086 12.187 1.00 0.00 N ATOM 1809 CZ ARG A 118 3.750 -4.322 13.382 1.00 0.00 C ATOM 1810 NH1 ARG A 118 4.061 -5.430 14.041 1.00 0.00 N ATOM 1811 NH2 ARG A 118 2.909 -3.449 13.920 1.00 0.00 N ATOM 0 H ARG A 118 6.673 -8.529 8.526 1.00 0.00 H new ATOM 0 HA ARG A 118 4.083 -8.534 9.382 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.977 -7.734 10.708 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.208 -6.371 9.631 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.670 -5.855 10.305 1.00 0.00 H new ATOM 0 HG3 ARG A 118 4.091 -6.813 11.711 1.00 0.00 H new ATOM 0 HD2 ARG A 118 5.959 -5.334 12.241 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.747 -4.453 10.741 1.00 0.00 H new ATOM 0 HE ARG A 118 4.021 -3.224 11.707 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.708 -6.103 13.630 1.00 0.00 H new ATOM 0 HH12 ARG A 118 3.653 -5.609 14.958 1.00 0.00 H new ATOM 0 HH21 ARG A 118 2.669 -2.595 13.416 1.00 0.00 H new ATOM 0 HH22 ARG A 118 2.503 -3.631 14.838 1.00 0.00 H new ATOM 1825 N THR A 119 4.606 -6.076 7.239 1.00 0.00 N ATOM 1826 CA THR A 119 3.936 -5.117 6.370 1.00 0.00 C ATOM 1827 C THR A 119 2.833 -5.787 5.559 1.00 0.00 C ATOM 1828 O THR A 119 1.647 -5.553 5.793 1.00 0.00 O ATOM 1829 CB THR A 119 4.930 -4.442 5.406 1.00 0.00 C ATOM 1830 OG1 THR A 119 5.985 -3.820 6.146 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.227 -3.404 4.544 1.00 0.00 C ATOM 0 H THR A 119 5.620 -6.106 7.131 1.00 0.00 H new ATOM 0 HA THR A 119 3.497 -4.357 7.017 1.00 0.00 H new ATOM 0 HB THR A 119 5.348 -5.209 4.754 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.629 -4.501 6.433 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.949 -2.941 3.871 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.444 -3.887 3.959 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.784 -2.640 5.183 1.00 0.00 H new ATOM 1839 N ARG A 120 3.231 -6.622 4.604 1.00 0.00 N ATOM 1840 CA ARG A 120 2.275 -7.326 3.758 1.00 0.00 C ATOM 1841 C ARG A 120 1.211 -8.022 4.602 1.00 0.00 C ATOM 1842 O ARG A 120 0.036 -8.045 4.239 1.00 0.00 O ATOM 1843 CB ARG A 120 2.997 -8.350 2.881 1.00 0.00 C ATOM 1844 CG ARG A 120 2.294 -8.626 1.562 1.00 0.00 C ATOM 1845 CD ARG A 120 3.153 -9.477 0.640 1.00 0.00 C ATOM 1846 NE ARG A 120 2.527 -9.672 -0.666 1.00 0.00 N ATOM 1847 CZ ARG A 120 1.562 -10.555 -0.894 1.00 0.00 C ATOM 1848 NH1 ARG A 120 1.114 -11.321 0.091 1.00 0.00 N ATOM 1849 NH2 ARG A 120 1.043 -10.674 -2.109 1.00 0.00 N ATOM 0 H ARG A 120 4.209 -6.827 4.397 1.00 0.00 H new ATOM 0 HA ARG A 120 1.784 -6.592 3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.007 -7.993 2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 120 3.094 -9.285 3.434 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.349 -9.134 1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 120 2.056 -7.682 1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 120 4.125 -9.001 0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.333 -10.447 1.104 1.00 0.00 H new ATOM 0 HE ARG A 120 2.849 -9.098 -1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 120 1.511 -11.233 1.027 1.00 0.00 H new ATOM 0 HH12 ARG A 120 0.373 -11.999 -0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 120 1.385 -10.087 -2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 120 0.302 -11.353 -2.283 1.00 0.00 H new ATOM 1863 N GLN A 121 1.633 -8.588 5.728 1.00 0.00 N ATOM 1864 CA GLN A 121 0.717 -9.285 6.621 1.00 0.00 C ATOM 1865 C GLN A 121 -0.393 -8.354 7.098 1.00 0.00 C ATOM 1866 O GLN A 121 -1.566 -8.726 7.112 1.00 0.00 O ATOM 1867 CB GLN A 121 1.475 -9.852 7.823 1.00 0.00 C ATOM 1868 CG GLN A 121 2.391 -11.013 7.472 1.00 0.00 C ATOM 1869 CD GLN A 121 1.678 -12.350 7.507 1.00 0.00 C ATOM 1870 OE1 GLN A 121 0.456 -12.412 7.646 1.00 0.00 O ATOM 1871 NE2 GLN A 121 2.439 -13.431 7.379 1.00 0.00 N ATOM 0 H GLN A 121 2.603 -8.577 6.043 1.00 0.00 H new ATOM 0 HA GLN A 121 0.264 -10.106 6.066 1.00 0.00 H new ATOM 0 HB2 GLN A 121 2.067 -9.057 8.276 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.756 -10.181 8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 121 2.808 -10.854 6.478 1.00 0.00 H new ATOM 0 HG3 GLN A 121 3.228 -11.034 8.169 1.00 0.00 H new ATOM 0 HE21 GLN A 121 3.448 -13.334 7.266 1.00 0.00 H new ATOM 0 HE22 GLN A 121 2.014 -14.358 7.394 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.014 -7.141 7.489 1.00 0.00 N ATOM 1881 CA GLY A 122 -0.989 -6.176 7.962 1.00 0.00 C ATOM 1882 C GLY A 122 -1.232 -5.061 6.964 1.00 0.00 C ATOM 1883 O GLY A 122 -1.579 -3.943 7.345 1.00 0.00 O ATOM 0 H GLY A 122 0.951 -6.810 7.487 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.930 -6.686 8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.645 -5.748 8.904 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.048 -5.365 5.684 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.248 -4.379 4.628 1.00 0.00 C ATOM 1889 C TRP A 123 -2.667 -4.455 4.074 1.00 0.00 C ATOM 1890 O TRP A 123 -3.463 -3.535 4.255 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.235 -4.594 3.503 1.00 0.00 C ATOM 1892 CG TRP A 123 0.181 -3.322 2.827 1.00 0.00 C ATOM 1893 CD1 TRP A 123 1.283 -2.567 3.110 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.500 -2.657 1.758 1.00 0.00 C ATOM 1895 NE1 TRP A 123 1.328 -1.472 2.281 1.00 0.00 N ATOM 1896 CE2 TRP A 123 0.246 -1.505 1.441 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.666 -2.924 1.035 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.139 -0.623 0.435 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -2.046 -2.047 0.037 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.284 -0.908 -0.256 1.00 0.00 C ATOM 0 H TRP A 123 -0.761 -6.286 5.352 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.098 -3.388 5.057 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.648 -5.087 3.909 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.664 -5.268 2.761 1.00 0.00 H new ATOM 0 HD1 TRP A 123 2.012 -2.797 3.873 1.00 0.00 H new ATOM 0 HE1 TRP A 123 2.050 -0.751 2.290 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.259 -3.800 1.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.446 0.256 0.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.946 -2.243 -0.527 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.607 -0.242 -1.043 1.00 0.00 H new ATOM 1911 N GLN A 124 -2.975 -5.558 3.399 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.298 -5.752 2.819 1.00 0.00 C ATOM 1913 C GLN A 124 -5.341 -5.984 3.907 1.00 0.00 C ATOM 1914 O GLN A 124 -6.504 -5.608 3.756 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.284 -6.935 1.849 1.00 0.00 C ATOM 1916 CG GLN A 124 -3.398 -6.715 0.634 1.00 0.00 C ATOM 1917 CD GLN A 124 -2.684 -7.978 0.195 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -2.795 -8.401 -0.956 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.943 -8.589 1.113 1.00 0.00 N ATOM 0 H GLN A 124 -2.327 -6.330 3.241 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.564 -4.847 2.273 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.945 -7.825 2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.303 -7.132 1.515 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -4.005 -6.340 -0.190 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.660 -5.946 0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -1.879 -8.204 2.055 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -1.438 -9.443 0.875 1.00 0.00 H new ATOM 1928 N ARG A 125 -4.918 -6.605 5.003 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.816 -6.889 6.115 1.00 0.00 C ATOM 1930 C ARG A 125 -6.675 -5.671 6.445 1.00 0.00 C ATOM 1931 O ARG A 125 -7.789 -5.803 6.952 1.00 0.00 O ATOM 1932 CB ARG A 125 -5.017 -7.311 7.349 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.741 -8.804 7.415 1.00 0.00 C ATOM 1934 CD ARG A 125 -4.612 -9.285 8.852 1.00 0.00 C ATOM 1935 NE ARG A 125 -5.897 -9.704 9.406 1.00 0.00 N ATOM 1936 CZ ARG A 125 -6.454 -10.884 9.159 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -5.842 -11.758 8.371 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -7.625 -11.193 9.701 1.00 0.00 N ATOM 0 H ARG A 125 -3.959 -6.921 5.144 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.473 -7.707 5.819 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.068 -6.774 7.358 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.562 -7.011 8.244 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.547 -9.346 6.920 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.824 -9.030 6.871 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.910 -10.118 8.894 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -4.196 -8.486 9.466 1.00 0.00 H new ATOM 0 HE ARG A 125 -6.394 -9.055 10.016 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.941 -11.525 7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -6.272 -12.664 8.183 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -8.098 -10.524 10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -8.052 -12.100 9.511 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.148 -4.486 6.154 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.865 -3.245 6.422 1.00 0.00 C ATOM 1954 C TYR A 126 -7.169 -2.501 5.125 1.00 0.00 C ATOM 1955 O TYR A 126 -8.221 -1.876 4.986 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.047 -2.351 7.356 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.161 -3.121 8.309 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.640 -4.233 8.990 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -3.843 -2.737 8.527 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -4.834 -4.939 9.862 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.030 -3.438 9.396 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.530 -4.538 10.061 1.00 0.00 C ATOM 1963 OH TYR A 126 -2.724 -5.240 10.928 1.00 0.00 O ATOM 0 H TYR A 126 -5.228 -4.359 5.733 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.809 -3.497 6.905 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.428 -1.684 6.756 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.727 -1.723 7.932 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.660 -4.551 8.835 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.448 -1.876 8.008 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.223 -5.800 10.385 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.008 -3.126 9.554 1.00 0.00 H new ATOM 0 HH TYR A 126 -1.835 -4.829 10.954 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.241 -2.573 4.178 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.407 -1.906 2.892 1.00 0.00 C ATOM 1975 C TYR A 127 -7.601 -2.476 2.133 1.00 0.00 C ATOM 1976 O TYR A 127 -8.602 -1.790 1.920 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.138 -2.050 2.051 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.274 -0.809 2.041 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -3.870 -0.210 3.228 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.860 -0.236 0.845 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.081 0.924 3.224 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -3.070 0.897 0.831 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.684 1.474 2.023 1.00 0.00 C ATOM 1984 OH TYR A 127 -1.897 2.603 2.014 1.00 0.00 O ATOM 0 H TYR A 127 -5.365 -3.087 4.276 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.591 -0.848 3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.553 -2.887 2.432 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.417 -2.296 1.027 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.178 -0.639 4.170 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.161 -0.684 -0.090 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.777 1.377 4.156 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.756 1.329 -0.108 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.226 2.540 2.726 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.489 -3.736 1.727 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.558 -4.400 0.991 1.00 0.00 C ATOM 1996 C PHE A 128 -9.479 -5.163 1.939 1.00 0.00 C ATOM 1997 O PHE A 128 -10.643 -4.806 2.111 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.972 -5.357 -0.049 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.766 -4.808 -0.757 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.522 -3.445 -0.781 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.877 -5.656 -1.398 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.413 -2.936 -1.431 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.766 -5.154 -2.049 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.534 -3.792 -2.066 1.00 0.00 C ATOM 0 H PHE A 128 -6.668 -4.318 1.895 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.144 -3.635 0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.701 -6.292 0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.739 -5.594 -0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.206 -2.772 -0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -6.054 -6.721 -1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.234 -1.871 -1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -4.080 -5.826 -2.544 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.667 -3.397 -2.575 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.946 -6.217 2.551 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.720 -7.031 3.480 1.00 0.00 C ATOM 2016 C GLU A 129 -10.704 -6.171 4.269 1.00 0.00 C ATOM 2017 O GLU A 129 -11.795 -6.618 4.618 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.789 -7.772 4.442 1.00 0.00 C ATOM 2019 CG GLU A 129 -7.859 -8.756 3.752 1.00 0.00 C ATOM 2020 CD GLU A 129 -8.602 -9.922 3.129 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -9.194 -10.721 3.885 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -8.592 -10.035 1.885 1.00 0.00 O ATOM 0 H GLU A 129 -7.983 -6.526 2.420 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.286 -7.760 2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.192 -7.043 4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.391 -8.307 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -7.294 -8.235 2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -7.136 -9.135 4.475 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.307 -4.932 4.546 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.164 -4.029 5.292 1.00 0.00 C ATOM 2031 C GLY A 130 -12.281 -3.456 4.442 1.00 0.00 C ATOM 2032 O GLY A 130 -13.443 -3.459 4.850 1.00 0.00 O ATOM 0 H GLY A 130 -9.408 -4.538 4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.594 -4.560 6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.564 -3.214 5.696 1.00 0.00 H new ATOM 2036 N ILE A 131 -11.930 -2.962 3.260 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.912 -2.383 2.352 1.00 0.00 C ATOM 2038 C ILE A 131 -13.810 -3.460 1.754 1.00 0.00 C ATOM 2039 O ILE A 131 -15.035 -3.397 1.868 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.233 -1.605 1.210 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.356 -0.486 1.777 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.278 -1.037 0.261 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.438 0.140 0.751 1.00 0.00 C ATOM 0 H ILE A 131 -10.973 -2.951 2.908 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.518 -1.694 2.941 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.597 -2.291 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -11.997 0.288 2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.756 -0.885 2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.782 -0.490 -0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.864 -1.852 -0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -13.937 -0.362 0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.847 0.925 1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.772 -0.622 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -11.033 0.569 -0.056 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.194 -4.451 1.118 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.936 -5.545 0.504 1.00 0.00 C ATOM 2057 C LYS A 132 -15.157 -5.912 1.342 1.00 0.00 C ATOM 2058 O LYS A 132 -16.232 -6.178 0.805 1.00 0.00 O ATOM 2059 CB LYS A 132 -13.034 -6.770 0.336 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.145 -6.705 -0.895 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.108 -7.816 -0.892 1.00 0.00 C ATOM 2062 CE LYS A 132 -10.598 -8.105 -2.295 1.00 0.00 C ATOM 2063 NZ LYS A 132 -10.152 -9.518 -2.444 1.00 0.00 N ATOM 0 H LYS A 132 -12.182 -4.519 1.015 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.276 -5.214 -0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.407 -6.874 1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.655 -7.664 0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.759 -6.781 -1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.644 -5.738 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.273 -7.534 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.544 -8.721 -0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -11.386 -7.895 -3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -9.768 -7.436 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -9.796 -9.670 -3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -9.394 -9.717 -1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -10.954 -10.156 -2.267 1.00 0.00 H new ATOM 2077 N GLN A 133 -14.983 -5.924 2.660 1.00 0.00 N ATOM 2078 CA GLN A 133 -16.072 -6.257 3.571 1.00 0.00 C ATOM 2079 C GLN A 133 -16.829 -5.004 3.996 1.00 0.00 C ATOM 2080 O GLN A 133 -18.057 -4.949 3.913 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.529 -6.982 4.804 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.743 -8.240 4.473 1.00 0.00 C ATOM 2083 CD GLN A 133 -14.819 -9.282 5.571 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -14.049 -9.247 6.531 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -15.751 -10.218 5.436 1.00 0.00 N ATOM 0 H GLN A 133 -14.099 -5.707 3.120 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.763 -6.916 3.045 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.889 -6.300 5.363 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.362 -7.245 5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -15.123 -8.667 3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.700 -7.977 4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -16.368 -10.210 4.624 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.850 -10.945 6.144 1.00 0.00 H new ATOM 2094 N THR A 134 -16.090 -3.997 4.452 1.00 0.00 N ATOM 2095 CA THR A 134 -16.692 -2.745 4.891 1.00 0.00 C ATOM 2096 C THR A 134 -17.643 -2.192 3.836 1.00 0.00 C ATOM 2097 O THR A 134 -18.845 -2.070 4.073 1.00 0.00 O ATOM 2098 CB THR A 134 -15.619 -1.685 5.204 1.00 0.00 C ATOM 2099 OG1 THR A 134 -14.848 -2.089 6.342 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.257 -0.331 5.473 1.00 0.00 C ATOM 0 H THR A 134 -15.073 -4.025 4.527 1.00 0.00 H new ATOM 0 HA THR A 134 -17.251 -2.965 5.800 1.00 0.00 H new ATOM 0 HB THR A 134 -14.966 -1.595 4.336 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.024 -2.526 6.041 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.479 0.401 5.692 1.00 0.00 H new ATOM 0 HG22 THR A 134 -16.819 -0.012 4.595 1.00 0.00 H new ATOM 0 HG23 THR A 134 -16.931 -0.409 6.326 1.00 0.00 H new ATOM 2108 N PHE A 135 -17.098 -1.859 2.671 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.899 -1.318 1.579 1.00 0.00 C ATOM 2110 C PHE A 135 -18.559 -2.439 0.782 1.00 0.00 C ATOM 2111 O PHE A 135 -19.505 -2.208 0.030 1.00 0.00 O ATOM 2112 CB PHE A 135 -17.029 -0.464 0.655 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.514 0.789 1.304 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.668 0.720 2.399 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.877 2.035 0.820 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.194 1.871 2.999 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.405 3.190 1.416 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.562 3.108 2.506 1.00 0.00 C ATOM 0 H PHE A 135 -16.105 -1.954 2.459 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.681 -0.693 2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -16.183 -1.060 0.313 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.608 -0.194 -0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.376 -0.244 2.788 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.536 2.105 -0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.536 1.804 3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.696 4.155 1.029 1.00 0.00 H new ATOM 0 HZ PHE A 135 -15.191 4.009 2.972 1.00 0.00 H new ATOM 2128 N GLY A 136 -18.051 -3.657 0.952 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.603 -4.796 0.242 1.00 0.00 C ATOM 2130 C GLY A 136 -18.026 -4.944 -1.153 1.00 0.00 C ATOM 2131 O GLY A 136 -18.713 -5.392 -2.071 1.00 0.00 O ATOM 0 H GLY A 136 -17.268 -3.874 1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.408 -5.705 0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.686 -4.689 0.175 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.763 -4.567 -1.312 1.00 0.00 N ATOM 2136 CA TYR A 137 -16.096 -4.657 -2.605 1.00 0.00 C ATOM 2137 C TYR A 137 -15.292 -5.948 -2.715 1.00 0.00 C ATOM 2138 O TYR A 137 -14.289 -6.010 -3.425 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.177 -3.451 -2.813 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.893 -2.122 -2.727 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.276 -2.047 -2.841 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.187 -0.942 -2.533 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -17.934 -0.835 -2.763 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.836 0.275 -2.453 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.210 0.323 -2.569 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.861 1.532 -2.491 1.00 0.00 O ATOM 0 H TYR A 137 -16.180 -4.196 -0.562 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.862 -4.661 -3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.384 -3.476 -2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.698 -3.534 -3.789 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.846 -2.952 -2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.111 -0.976 -2.443 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -19.009 -0.794 -2.853 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.271 1.183 -2.301 1.00 0.00 H new ATOM 0 HH TYR A 137 -17.241 2.217 -2.164 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.741 -6.980 -2.006 1.00 0.00 N ATOM 2157 CA GLY A 138 -15.053 -8.257 -2.037 1.00 0.00 C ATOM 2158 C GLY A 138 -15.827 -9.314 -2.799 1.00 0.00 C ATOM 2159 O GLY A 138 -17.046 -9.219 -2.940 1.00 0.00 O ATOM 0 H GLY A 138 -16.569 -6.954 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -14.073 -8.127 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.884 -8.600 -1.016 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.118 -10.324 -3.292 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.747 -11.404 -4.043 1.00 0.00 C ATOM 2165 C ALA A 139 -15.800 -12.687 -3.220 1.00 0.00 C ATOM 2166 O ALA A 139 -15.429 -12.698 -2.046 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.003 -11.642 -5.348 1.00 0.00 C ATOM 0 H ALA A 139 -14.108 -10.417 -3.185 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.771 -11.107 -4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.483 -12.451 -5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.022 -10.733 -5.949 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -13.969 -11.913 -5.133 1.00 0.00 H new ATOM 2173 N SER A 140 -16.263 -13.766 -3.844 1.00 0.00 N ATOM 2174 CA SER A 140 -16.368 -15.053 -3.167 1.00 0.00 C ATOM 2175 C SER A 140 -15.855 -16.179 -4.059 1.00 0.00 C ATOM 2176 O SER A 140 -15.712 -16.011 -5.270 1.00 0.00 O ATOM 2177 CB SER A 140 -17.819 -15.325 -2.766 1.00 0.00 C ATOM 2178 OG SER A 140 -18.564 -15.832 -3.860 1.00 0.00 O ATOM 0 H SER A 140 -16.571 -13.774 -4.816 1.00 0.00 H new ATOM 0 HA SER A 140 -15.752 -15.015 -2.269 1.00 0.00 H new ATOM 0 HB2 SER A 140 -17.844 -16.039 -1.943 1.00 0.00 H new ATOM 0 HB3 SER A 140 -18.278 -14.405 -2.404 1.00 0.00 H new ATOM 0 HG SER A 140 -19.487 -15.999 -3.578 1.00 0.00 H new ATOM 2184 N GLY A 141 -15.580 -17.329 -3.451 1.00 0.00 N ATOM 2185 CA GLY A 141 -15.086 -18.467 -4.205 1.00 0.00 C ATOM 2186 C GLY A 141 -13.631 -18.312 -4.602 1.00 0.00 C ATOM 2187 O GLY A 141 -13.097 -17.204 -4.663 1.00 0.00 O ATOM 0 H GLY A 141 -15.690 -17.493 -2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -15.202 -19.372 -3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -15.692 -18.596 -5.102 1.00 0.00 H new ATOM 2191 N PRO A 142 -12.965 -19.443 -4.878 1.00 0.00 N ATOM 2192 CA PRO A 142 -11.554 -19.454 -5.275 1.00 0.00 C ATOM 2193 C PRO A 142 -11.356 -19.019 -6.723 1.00 0.00 C ATOM 2194 O PRO A 142 -12.102 -19.430 -7.612 1.00 0.00 O ATOM 2195 CB PRO A 142 -11.147 -20.919 -5.096 1.00 0.00 C ATOM 2196 CG PRO A 142 -12.408 -21.689 -5.288 1.00 0.00 C ATOM 2197 CD PRO A 142 -13.539 -20.798 -4.826 1.00 0.00 C ATOM 0 HA PRO A 142 -10.959 -18.757 -4.685 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -10.390 -21.211 -5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -10.723 -21.094 -4.107 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -12.537 -21.965 -6.334 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -12.386 -22.615 -4.714 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -14.410 -20.888 -5.475 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -13.865 -21.056 -3.818 1.00 0.00 H new ATOM 2205 N SER A 143 -10.345 -18.187 -6.953 1.00 0.00 N ATOM 2206 CA SER A 143 -10.051 -17.694 -8.293 1.00 0.00 C ATOM 2207 C SER A 143 -8.602 -17.985 -8.673 1.00 0.00 C ATOM 2208 O SER A 143 -7.780 -18.321 -7.820 1.00 0.00 O ATOM 2209 CB SER A 143 -10.319 -16.190 -8.377 1.00 0.00 C ATOM 2210 OG SER A 143 -11.710 -15.923 -8.430 1.00 0.00 O ATOM 0 H SER A 143 -9.716 -17.840 -6.229 1.00 0.00 H new ATOM 0 HA SER A 143 -10.704 -18.212 -8.995 1.00 0.00 H new ATOM 0 HB2 SER A 143 -9.882 -15.691 -7.512 1.00 0.00 H new ATOM 0 HB3 SER A 143 -9.832 -15.779 -9.262 1.00 0.00 H new ATOM 0 HG SER A 143 -11.856 -14.955 -8.482 1.00 0.00 H new ATOM 2216 N SER A 144 -8.297 -17.855 -9.960 1.00 0.00 N ATOM 2217 CA SER A 144 -6.949 -18.107 -10.455 1.00 0.00 C ATOM 2218 C SER A 144 -6.188 -16.800 -10.651 1.00 0.00 C ATOM 2219 O SER A 144 -5.494 -16.615 -11.650 1.00 0.00 O ATOM 2220 CB SER A 144 -7.004 -18.881 -11.774 1.00 0.00 C ATOM 2221 OG SER A 144 -5.711 -19.304 -12.171 1.00 0.00 O ATOM 0 H SER A 144 -8.965 -17.577 -10.679 1.00 0.00 H new ATOM 0 HA SER A 144 -6.422 -18.705 -9.712 1.00 0.00 H new ATOM 0 HB2 SER A 144 -7.656 -19.748 -11.664 1.00 0.00 H new ATOM 0 HB3 SER A 144 -7.439 -18.252 -12.551 1.00 0.00 H new ATOM 0 HG SER A 144 -5.101 -18.537 -12.171 1.00 0.00 H new ATOM 2227 N GLY A 145 -6.324 -15.893 -9.688 1.00 0.00 N ATOM 2228 CA GLY A 145 -5.644 -14.614 -9.772 1.00 0.00 C ATOM 2229 C GLY A 145 -4.159 -14.762 -10.035 1.00 0.00 C ATOM 2230 O GLY A 145 -3.621 -15.869 -9.990 1.00 0.00 O ATOM 0 H GLY A 145 -6.893 -16.022 -8.851 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -6.093 -14.019 -10.567 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -5.792 -14.066 -8.842 1.00 0.00 H new TER 2234 GLY A 145