USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 904 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 LYS NZ :NH3+ 170:sc= 0.0287 (180deg=0) USER MOD Set 1.2: A 47 ASN : amide:sc= -0.162 K(o=-0.13,f=-6.8!) USER MOD Set 2.1: A 31 THR OG1 : rot -93:sc= 0.939 USER MOD Set 2.2: A 32 HIS : no HD1:sc= -1.59 K(o=-0.65,f=-3.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -57:sc= 0.0876 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 30:sc= 1.17 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0183 USER MOD Single : A 11 SER OG : rot 67:sc= 0.249 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -130:sc= -4.83! (180deg=-6.71!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.018 USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.98! C(o=-5!,f=-13!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 70:sc= 0.976 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 90:sc= 0.175 USER MOD Single : A 57 THR OG1 : rot -72:sc= 0.761 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -94:sc= 0.906 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -158:sc= -0.736 (180deg=-1.41) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -36:sc= 0.0895 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00326 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 21:sc= 0.0771 USER MOD Single : A 80 TYR OH : rot 149:sc= -0.575 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -6.61! C(o=-6.6!,f=-11!) USER MOD Single : A 89 THR OG1 : rot 69:sc= -0.18 USER MOD Single : A 90 MET CE :methyl 153:sc= -0.385 (180deg=-1.32!) USER MOD Single : A 91 TYR OH : rot 65:sc= 0.608 USER MOD Single : A 94 SER OG : rot 75:sc= -1.44 USER MOD Single : A 96 MET CE :methyl -149:sc= -0.219 (180deg=-2.3) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.23 K(o=-0.23,f=-2.3!) USER MOD Single : A 103 SER OG : rot 180:sc= 0.00636 USER MOD Single : A 104 SER OG : rot -76:sc= 1.03 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0665 USER MOD Single : A 107 SER OG : rot 4:sc= -0.613 USER MOD Single : A 108 MET CE :methyl -158:sc= -0.151 (180deg=-0.739) USER MOD Single : A 109 THR OG1 : rot 140:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.41) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.823 USER MOD Single : A 114 THR OG1 : rot -174:sc= 1.53 USER MOD Single : A 115 TYR OH : rot 160:sc= 0.621 USER MOD Single : A 118 SER OG : rot 2:sc= 0.136 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 31:sc= 0.673! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.599 -19.495 20.200 1.00 0.00 N ATOM 2 CA GLY A 1 1.817 -18.785 19.857 1.00 0.00 C ATOM 3 C GLY A 1 1.546 -17.500 19.100 1.00 0.00 C ATOM 4 O GLY A 1 1.207 -17.528 17.917 1.00 0.00 O ATOM 0 H1 GLY A 1 0.838 -20.366 20.716 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.002 -18.890 20.799 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.083 -19.739 19.331 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.369 -18.556 20.768 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.453 -19.432 19.253 1.00 0.00 H new ATOM 8 N SER A 2 1.694 -16.369 19.783 1.00 0.00 N ATOM 9 CA SER A 2 1.458 -15.068 19.169 1.00 0.00 C ATOM 10 C SER A 2 2.702 -14.580 18.434 1.00 0.00 C ATOM 11 O SER A 2 2.632 -14.171 17.275 1.00 0.00 O ATOM 12 CB SER A 2 1.045 -14.047 20.231 1.00 0.00 C ATOM 13 OG SER A 2 -0.360 -14.046 20.419 1.00 0.00 O ATOM 0 H SER A 2 1.976 -16.328 20.762 1.00 0.00 H new ATOM 0 HA SER A 2 0.650 -15.176 18.446 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.541 -14.278 21.174 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.376 -13.052 19.932 1.00 0.00 H new ATOM 0 HG SER A 2 -0.598 -13.386 21.104 1.00 0.00 H new ATOM 19 N SER A 3 3.842 -14.627 19.117 1.00 0.00 N ATOM 20 CA SER A 3 5.102 -14.186 18.532 1.00 0.00 C ATOM 21 C SER A 3 5.094 -12.679 18.296 1.00 0.00 C ATOM 22 O SER A 3 5.549 -12.200 17.258 1.00 0.00 O ATOM 23 CB SER A 3 5.361 -14.919 17.214 1.00 0.00 C ATOM 24 OG SER A 3 6.720 -14.810 16.828 1.00 0.00 O ATOM 0 H SER A 3 3.918 -14.966 20.076 1.00 0.00 H new ATOM 0 HA SER A 3 5.902 -14.422 19.234 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.093 -15.970 17.320 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.724 -14.505 16.433 1.00 0.00 H new ATOM 0 HG SER A 3 6.965 -13.864 16.757 1.00 0.00 H new ATOM 30 N GLY A 4 4.573 -11.937 19.268 1.00 0.00 N ATOM 31 CA GLY A 4 4.514 -10.492 19.147 1.00 0.00 C ATOM 32 C GLY A 4 3.171 -10.006 18.640 1.00 0.00 C ATOM 33 O GLY A 4 2.449 -10.744 17.969 1.00 0.00 O ATOM 0 H GLY A 4 4.191 -12.310 20.137 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.717 -10.041 20.118 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.298 -10.155 18.469 1.00 0.00 H new ATOM 37 N SER A 5 2.832 -8.762 18.963 1.00 0.00 N ATOM 38 CA SER A 5 1.564 -8.180 18.540 1.00 0.00 C ATOM 39 C SER A 5 1.791 -7.037 17.556 1.00 0.00 C ATOM 40 O SER A 5 1.319 -7.078 16.420 1.00 0.00 O ATOM 41 CB SER A 5 0.780 -7.676 19.754 1.00 0.00 C ATOM 42 OG SER A 5 -0.557 -7.362 19.403 1.00 0.00 O ATOM 0 H SER A 5 3.418 -8.138 19.517 1.00 0.00 H new ATOM 0 HA SER A 5 0.985 -8.956 18.039 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.785 -8.436 20.535 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.268 -6.793 20.165 1.00 0.00 H new ATOM 0 HG SER A 5 -1.037 -7.044 20.196 1.00 0.00 H new ATOM 48 N SER A 6 2.518 -6.017 18.002 1.00 0.00 N ATOM 49 CA SER A 6 2.806 -4.860 17.163 1.00 0.00 C ATOM 50 C SER A 6 3.954 -4.040 17.743 1.00 0.00 C ATOM 51 O SER A 6 4.428 -4.309 18.846 1.00 0.00 O ATOM 52 CB SER A 6 1.560 -3.983 17.022 1.00 0.00 C ATOM 53 OG SER A 6 0.714 -4.462 15.990 1.00 0.00 O ATOM 0 H SER A 6 2.918 -5.969 18.939 1.00 0.00 H new ATOM 0 HA SER A 6 3.102 -5.222 16.178 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.014 -3.966 17.966 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.856 -2.956 16.807 1.00 0.00 H new ATOM 0 HG SER A 6 0.817 -5.433 15.907 1.00 0.00 H new ATOM 59 N GLY A 7 4.398 -3.038 16.991 1.00 0.00 N ATOM 60 CA GLY A 7 5.487 -2.194 17.446 1.00 0.00 C ATOM 61 C GLY A 7 6.658 -2.190 16.483 1.00 0.00 C ATOM 62 O GLY A 7 7.384 -3.178 16.374 1.00 0.00 O ATOM 0 H GLY A 7 4.023 -2.796 16.074 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.123 -1.175 17.575 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.825 -2.538 18.423 1.00 0.00 H new ATOM 66 N PHE A 8 6.842 -1.076 15.782 1.00 0.00 N ATOM 67 CA PHE A 8 7.931 -0.948 14.821 1.00 0.00 C ATOM 68 C PHE A 8 8.725 0.332 15.066 1.00 0.00 C ATOM 69 O PHE A 8 8.173 1.430 15.140 1.00 0.00 O ATOM 70 CB PHE A 8 7.384 -0.957 13.393 1.00 0.00 C ATOM 71 CG PHE A 8 8.455 -0.955 12.340 1.00 0.00 C ATOM 72 CD1 PHE A 8 9.128 -2.122 12.015 1.00 0.00 C ATOM 73 CD2 PHE A 8 8.790 0.214 11.675 1.00 0.00 C ATOM 74 CE1 PHE A 8 10.114 -2.124 11.047 1.00 0.00 C ATOM 75 CE2 PHE A 8 9.775 0.218 10.706 1.00 0.00 C ATOM 76 CZ PHE A 8 10.439 -0.952 10.392 1.00 0.00 C ATOM 0 H PHE A 8 6.251 -0.249 15.862 1.00 0.00 H new ATOM 0 HA PHE A 8 8.599 -1.800 14.951 1.00 0.00 H new ATOM 0 HB2 PHE A 8 6.756 -1.837 13.259 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.745 -0.085 13.252 1.00 0.00 H new ATOM 0 HD1 PHE A 8 8.879 -3.041 12.525 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.275 1.132 11.917 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.630 -3.041 10.803 1.00 0.00 H new ATOM 0 HE2 PHE A 8 10.026 1.135 10.194 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.210 -0.950 9.636 1.00 0.00 H new ATOM 86 N PRO A 9 10.052 0.189 15.195 1.00 0.00 N ATOM 87 CA PRO A 9 10.951 1.322 15.434 1.00 0.00 C ATOM 88 C PRO A 9 11.069 2.234 14.217 1.00 0.00 C ATOM 89 O PRO A 9 10.977 1.781 13.076 1.00 0.00 O ATOM 90 CB PRO A 9 12.295 0.653 15.732 1.00 0.00 C ATOM 91 CG PRO A 9 12.220 -0.669 15.048 1.00 0.00 C ATOM 92 CD PRO A 9 10.778 -1.090 15.118 1.00 0.00 C ATOM 0 HA PRO A 9 10.592 1.964 16.238 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.126 1.248 15.353 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.450 0.536 16.805 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.554 -0.593 14.013 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.864 -1.399 15.538 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.485 -1.666 14.241 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.584 -1.715 15.989 1.00 0.00 H new ATOM 100 N THR A 10 11.275 3.524 14.468 1.00 0.00 N ATOM 101 CA THR A 10 11.405 4.500 13.394 1.00 0.00 C ATOM 102 C THR A 10 10.088 4.672 12.645 1.00 0.00 C ATOM 103 O THR A 10 10.061 4.690 11.414 1.00 0.00 O ATOM 104 CB THR A 10 12.502 4.091 12.393 1.00 0.00 C ATOM 105 OG1 THR A 10 13.593 3.474 13.086 1.00 0.00 O ATOM 106 CG2 THR A 10 13.005 5.299 11.618 1.00 0.00 C ATOM 0 H THR A 10 11.355 3.916 15.406 1.00 0.00 H new ATOM 0 HA THR A 10 11.682 5.446 13.859 1.00 0.00 H new ATOM 0 HB THR A 10 12.072 3.380 11.688 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.285 3.215 12.442 1.00 0.00 H new ATOM 0 HG21 THR A 10 13.779 4.985 10.917 1.00 0.00 H new ATOM 0 HG22 THR A 10 12.178 5.748 11.068 1.00 0.00 H new ATOM 0 HG23 THR A 10 13.419 6.030 12.312 1.00 0.00 H new ATOM 114 N SER A 11 8.998 4.798 13.395 1.00 0.00 N ATOM 115 CA SER A 11 7.677 4.966 12.801 1.00 0.00 C ATOM 116 C SER A 11 7.561 6.319 12.106 1.00 0.00 C ATOM 117 O SER A 11 8.340 7.235 12.373 1.00 0.00 O ATOM 118 CB SER A 11 6.593 4.835 13.872 1.00 0.00 C ATOM 119 OG SER A 11 6.167 3.490 14.006 1.00 0.00 O ATOM 0 H SER A 11 9.004 4.787 14.415 1.00 0.00 H new ATOM 0 HA SER A 11 7.539 4.182 12.056 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.976 5.195 14.827 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.742 5.465 13.612 1.00 0.00 H new ATOM 0 HG SER A 11 6.898 2.950 14.373 1.00 0.00 H new ATOM 125 N VAL A 12 6.584 6.438 11.214 1.00 0.00 N ATOM 126 CA VAL A 12 6.364 7.679 10.481 1.00 0.00 C ATOM 127 C VAL A 12 6.446 8.886 11.408 1.00 0.00 C ATOM 128 O VAL A 12 6.026 8.842 12.564 1.00 0.00 O ATOM 129 CB VAL A 12 4.995 7.679 9.775 1.00 0.00 C ATOM 130 CG1 VAL A 12 4.892 6.509 8.808 1.00 0.00 C ATOM 131 CG2 VAL A 12 3.869 7.637 10.797 1.00 0.00 C ATOM 0 H VAL A 12 5.931 5.690 10.981 1.00 0.00 H new ATOM 0 HA VAL A 12 7.151 7.747 9.730 1.00 0.00 H new ATOM 0 HB VAL A 12 4.901 8.602 9.202 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.918 6.526 8.319 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.677 6.588 8.056 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.007 5.573 9.355 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.909 7.638 10.281 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.957 6.732 11.398 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.933 8.511 11.445 1.00 0.00 H new ATOM 141 N PRO A 13 6.999 9.993 10.890 1.00 0.00 N ATOM 142 CA PRO A 13 7.148 11.235 11.654 1.00 0.00 C ATOM 143 C PRO A 13 5.810 11.913 11.925 1.00 0.00 C ATOM 144 O PRO A 13 4.751 11.354 11.641 1.00 0.00 O ATOM 145 CB PRO A 13 8.015 12.109 10.745 1.00 0.00 C ATOM 146 CG PRO A 13 7.761 11.594 9.370 1.00 0.00 C ATOM 147 CD PRO A 13 7.521 10.117 9.519 1.00 0.00 C ATOM 0 HA PRO A 13 7.582 11.058 12.638 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.743 13.161 10.830 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.070 12.030 11.009 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.898 12.086 8.922 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.612 11.787 8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.807 9.750 8.782 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.439 9.545 9.385 1.00 0.00 H new ATOM 155 N ASP A 14 5.864 13.121 12.477 1.00 0.00 N ATOM 156 CA ASP A 14 4.656 13.876 12.785 1.00 0.00 C ATOM 157 C ASP A 14 4.189 14.674 11.572 1.00 0.00 C ATOM 158 O ASP A 14 3.801 15.837 11.692 1.00 0.00 O ATOM 159 CB ASP A 14 4.904 14.817 13.965 1.00 0.00 C ATOM 160 CG ASP A 14 3.615 15.300 14.601 1.00 0.00 C ATOM 161 OD1 ASP A 14 2.936 14.484 15.260 1.00 0.00 O ATOM 162 OD2 ASP A 14 3.286 16.494 14.441 1.00 0.00 O ATOM 0 H ASP A 14 6.732 13.598 12.720 1.00 0.00 H new ATOM 0 HA ASP A 14 3.873 13.167 13.054 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.506 14.304 14.715 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.483 15.676 13.626 1.00 0.00 H new ATOM 167 N LEU A 15 4.230 14.042 10.404 1.00 0.00 N ATOM 168 CA LEU A 15 3.812 14.693 9.167 1.00 0.00 C ATOM 169 C LEU A 15 4.257 16.152 9.142 1.00 0.00 C ATOM 170 O LEU A 15 3.524 17.027 8.682 1.00 0.00 O ATOM 171 CB LEU A 15 2.292 14.609 9.011 1.00 0.00 C ATOM 172 CG LEU A 15 1.730 13.235 8.645 1.00 0.00 C ATOM 173 CD1 LEU A 15 0.211 13.241 8.727 1.00 0.00 C ATOM 174 CD2 LEU A 15 2.189 12.825 7.253 1.00 0.00 C ATOM 0 H LEU A 15 4.548 13.080 10.288 1.00 0.00 H new ATOM 0 HA LEU A 15 4.286 14.173 8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.833 14.930 9.946 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.986 15.321 8.244 1.00 0.00 H new ATOM 0 HG LEU A 15 2.109 12.506 9.361 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.172 12.255 8.463 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.098 13.490 9.742 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.188 13.982 8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.780 11.845 7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.839 13.556 6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.278 12.780 7.227 1.00 0.00 H new ATOM 186 N SER A 16 5.464 16.405 9.638 1.00 0.00 N ATOM 187 CA SER A 16 6.007 17.758 9.674 1.00 0.00 C ATOM 188 C SER A 16 6.239 18.288 8.262 1.00 0.00 C ATOM 189 O SER A 16 5.938 19.444 7.962 1.00 0.00 O ATOM 190 CB SER A 16 7.318 17.784 10.462 1.00 0.00 C ATOM 191 OG SER A 16 7.760 19.113 10.673 1.00 0.00 O ATOM 0 H SER A 16 6.084 15.691 10.020 1.00 0.00 H new ATOM 0 HA SER A 16 5.280 18.401 10.170 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.179 17.287 11.422 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.082 17.225 9.922 1.00 0.00 H new ATOM 0 HG SER A 16 8.599 19.102 11.180 1.00 0.00 H new ATOM 197 N THR A 17 6.776 17.434 7.397 1.00 0.00 N ATOM 198 CA THR A 17 7.050 17.815 6.017 1.00 0.00 C ATOM 199 C THR A 17 5.912 18.648 5.440 1.00 0.00 C ATOM 200 O THR A 17 4.747 18.490 5.806 1.00 0.00 O ATOM 201 CB THR A 17 7.268 16.578 5.126 1.00 0.00 C ATOM 202 OG1 THR A 17 6.115 15.730 5.173 1.00 0.00 O ATOM 203 CG2 THR A 17 8.496 15.798 5.573 1.00 0.00 C ATOM 0 H THR A 17 7.030 16.473 7.628 1.00 0.00 H new ATOM 0 HA THR A 17 7.963 18.411 6.029 1.00 0.00 H new ATOM 0 HB THR A 17 7.426 16.919 4.103 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.261 14.947 4.602 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.629 14.929 4.929 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.377 16.437 5.507 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.363 15.469 6.603 1.00 0.00 H new ATOM 211 N PRO A 18 6.253 19.559 4.516 1.00 0.00 N ATOM 212 CA PRO A 18 5.273 20.435 3.868 1.00 0.00 C ATOM 213 C PRO A 18 4.353 19.673 2.920 1.00 0.00 C ATOM 214 O PRO A 18 3.534 20.271 2.221 1.00 0.00 O ATOM 215 CB PRO A 18 6.142 21.425 3.088 1.00 0.00 C ATOM 216 CG PRO A 18 7.417 20.695 2.840 1.00 0.00 C ATOM 217 CD PRO A 18 7.623 19.802 4.032 1.00 0.00 C ATOM 0 HA PRO A 18 4.609 20.908 4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.665 21.719 2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.313 22.338 3.659 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.360 20.112 1.921 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.249 21.390 2.725 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.123 18.873 3.757 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.239 20.282 4.792 1.00 0.00 H new ATOM 225 N MET A 19 4.492 18.352 2.901 1.00 0.00 N ATOM 226 CA MET A 19 3.671 17.509 2.040 1.00 0.00 C ATOM 227 C MET A 19 2.719 16.651 2.867 1.00 0.00 C ATOM 228 O MET A 19 2.734 16.698 4.097 1.00 0.00 O ATOM 229 CB MET A 19 4.557 16.615 1.170 1.00 0.00 C ATOM 230 CG MET A 19 5.513 17.391 0.278 1.00 0.00 C ATOM 231 SD MET A 19 4.734 17.961 -1.245 1.00 0.00 S ATOM 232 CE MET A 19 4.255 16.401 -1.984 1.00 0.00 C ATOM 0 H MET A 19 5.166 17.842 3.472 1.00 0.00 H new ATOM 0 HA MET A 19 3.079 18.159 1.395 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.133 15.950 1.814 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.923 15.984 0.547 1.00 0.00 H new ATOM 0 HG2 MET A 19 5.900 18.250 0.827 1.00 0.00 H new ATOM 0 HG3 MET A 19 6.366 16.760 0.031 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.595 16.369 -3.019 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.708 15.580 -1.428 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.170 16.303 -1.956 1.00 0.00 H new ATOM 242 N LEU A 20 1.891 15.868 2.183 1.00 0.00 N ATOM 243 CA LEU A 20 0.931 14.999 2.855 1.00 0.00 C ATOM 244 C LEU A 20 0.497 13.857 1.941 1.00 0.00 C ATOM 245 O LEU A 20 -0.126 14.066 0.899 1.00 0.00 O ATOM 246 CB LEU A 20 -0.292 15.804 3.300 1.00 0.00 C ATOM 247 CG LEU A 20 -0.997 15.310 4.563 1.00 0.00 C ATOM 248 CD1 LEU A 20 -1.695 13.985 4.302 1.00 0.00 C ATOM 249 CD2 LEU A 20 -0.005 15.176 5.710 1.00 0.00 C ATOM 0 H LEU A 20 1.865 15.817 1.165 1.00 0.00 H new ATOM 0 HA LEU A 20 1.417 14.573 3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.017 16.837 3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.014 15.811 2.484 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.751 16.044 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.191 13.649 5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.435 14.113 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.960 13.241 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.524 14.823 6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.773 14.463 5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.448 16.146 5.914 1.00 0.00 H new ATOM 261 N PRO A 21 0.831 12.621 2.339 1.00 0.00 N ATOM 262 CA PRO A 21 0.484 11.421 1.571 1.00 0.00 C ATOM 263 C PRO A 21 -1.013 11.130 1.595 1.00 0.00 C ATOM 264 O PRO A 21 -1.779 11.753 2.331 1.00 0.00 O ATOM 265 CB PRO A 21 1.257 10.308 2.283 1.00 0.00 C ATOM 266 CG PRO A 21 1.438 10.805 3.676 1.00 0.00 C ATOM 267 CD PRO A 21 1.573 12.298 3.569 1.00 0.00 C ATOM 0 HA PRO A 21 0.736 11.526 0.516 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.704 9.369 2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.217 10.122 1.801 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.587 10.534 4.301 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.323 10.365 4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.150 12.803 4.438 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.617 12.603 3.500 1.00 0.00 H new ATOM 275 N PRO A 22 -1.442 10.162 0.772 1.00 0.00 N ATOM 276 CA PRO A 22 -2.850 9.766 0.682 1.00 0.00 C ATOM 277 C PRO A 22 -3.332 9.048 1.938 1.00 0.00 C ATOM 278 O PRO A 22 -2.569 8.851 2.884 1.00 0.00 O ATOM 279 CB PRO A 22 -2.876 8.818 -0.519 1.00 0.00 C ATOM 280 CG PRO A 22 -1.491 8.275 -0.603 1.00 0.00 C ATOM 281 CD PRO A 22 -0.584 9.378 -0.133 1.00 0.00 C ATOM 0 HA PRO A 22 -3.509 10.627 0.577 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.606 8.021 -0.378 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.151 9.344 -1.433 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.381 7.388 0.020 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.249 7.979 -1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.292 8.985 0.383 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.220 9.981 -0.965 1.00 0.00 H new ATOM 289 N VAL A 23 -4.603 8.657 1.940 1.00 0.00 N ATOM 290 CA VAL A 23 -5.186 7.959 3.079 1.00 0.00 C ATOM 291 C VAL A 23 -6.132 6.854 2.621 1.00 0.00 C ATOM 292 O VAL A 23 -6.283 6.609 1.425 1.00 0.00 O ATOM 293 CB VAL A 23 -5.952 8.928 3.999 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.008 9.963 4.590 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.085 9.600 3.238 1.00 0.00 C ATOM 0 H VAL A 23 -5.248 8.812 1.165 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.360 7.518 3.637 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.385 8.357 4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.568 10.638 5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.235 9.460 5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.543 10.533 3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.616 10.281 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.677 10.159 2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.775 8.842 2.869 1.00 0.00 H new ATOM 305 N GLY A 24 -6.768 6.191 3.582 1.00 0.00 N ATOM 306 CA GLY A 24 -7.692 5.120 3.258 1.00 0.00 C ATOM 307 C GLY A 24 -7.159 4.202 2.176 1.00 0.00 C ATOM 308 O GLY A 24 -7.843 3.929 1.190 1.00 0.00 O ATOM 0 H GLY A 24 -6.660 6.377 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.897 4.537 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.640 5.548 2.932 1.00 0.00 H new ATOM 312 N VAL A 25 -5.932 3.724 2.359 1.00 0.00 N ATOM 313 CA VAL A 25 -5.306 2.831 1.391 1.00 0.00 C ATOM 314 C VAL A 25 -5.956 1.453 1.415 1.00 0.00 C ATOM 315 O VAL A 25 -5.971 0.781 2.446 1.00 0.00 O ATOM 316 CB VAL A 25 -3.797 2.680 1.660 1.00 0.00 C ATOM 317 CG1 VAL A 25 -3.135 1.878 0.550 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.143 4.046 1.804 1.00 0.00 C ATOM 0 H VAL A 25 -5.352 3.941 3.169 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.449 3.280 0.408 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.664 2.138 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.069 1.781 0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.586 0.887 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.275 2.390 -0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.077 3.921 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.284 4.615 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.599 4.582 2.636 1.00 0.00 H new ATOM 328 N GLN A 26 -6.492 1.037 0.272 1.00 0.00 N ATOM 329 CA GLN A 26 -7.144 -0.263 0.162 1.00 0.00 C ATOM 330 C GLN A 26 -6.507 -1.100 -0.942 1.00 0.00 C ATOM 331 O GLN A 26 -6.412 -0.664 -2.089 1.00 0.00 O ATOM 332 CB GLN A 26 -8.638 -0.086 -0.113 1.00 0.00 C ATOM 333 CG GLN A 26 -9.369 -1.395 -0.365 1.00 0.00 C ATOM 334 CD GLN A 26 -10.876 -1.243 -0.302 1.00 0.00 C ATOM 335 OE1 GLN A 26 -11.506 -1.593 0.696 1.00 0.00 O ATOM 336 NE2 GLN A 26 -11.463 -0.717 -1.371 1.00 0.00 N ATOM 0 H GLN A 26 -6.488 1.581 -0.591 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.016 -0.787 1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.098 0.420 0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.765 0.564 -0.979 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.087 -1.781 -1.344 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.051 -2.132 0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.902 -0.441 -2.177 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.475 -0.589 -1.386 1.00 0.00 H new ATOM 345 N ALA A 27 -6.070 -2.304 -0.588 1.00 0.00 N ATOM 346 CA ALA A 27 -5.444 -3.203 -1.549 1.00 0.00 C ATOM 347 C ALA A 27 -6.409 -4.300 -1.986 1.00 0.00 C ATOM 348 O ALA A 27 -6.615 -5.280 -1.271 1.00 0.00 O ATOM 349 CB ALA A 27 -4.182 -3.813 -0.956 1.00 0.00 C ATOM 0 H ALA A 27 -6.138 -2.679 0.358 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.174 -2.621 -2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.725 -4.482 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.479 -3.020 -0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.437 -4.375 -0.057 1.00 0.00 H new ATOM 355 N VAL A 28 -6.999 -4.127 -3.164 1.00 0.00 N ATOM 356 CA VAL A 28 -7.943 -5.102 -3.697 1.00 0.00 C ATOM 357 C VAL A 28 -7.225 -6.179 -4.502 1.00 0.00 C ATOM 358 O VAL A 28 -6.348 -5.881 -5.312 1.00 0.00 O ATOM 359 CB VAL A 28 -9.002 -4.429 -4.590 1.00 0.00 C ATOM 360 CG1 VAL A 28 -10.044 -5.442 -5.040 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.658 -3.269 -3.856 1.00 0.00 C ATOM 0 H VAL A 28 -6.840 -3.320 -3.768 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.439 -5.562 -2.842 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.506 -4.035 -5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.784 -4.948 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.558 -6.237 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.538 -5.868 -4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.404 -2.805 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.141 -3.638 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.900 -2.532 -3.589 1.00 0.00 H new ATOM 371 N ALA A 29 -7.604 -7.432 -4.274 1.00 0.00 N ATOM 372 CA ALA A 29 -6.998 -8.554 -4.981 1.00 0.00 C ATOM 373 C ALA A 29 -7.867 -8.999 -6.152 1.00 0.00 C ATOM 374 O ALA A 29 -8.948 -9.557 -5.960 1.00 0.00 O ATOM 375 CB ALA A 29 -6.762 -9.714 -4.025 1.00 0.00 C ATOM 0 H ALA A 29 -8.328 -7.696 -3.605 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.038 -8.225 -5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.309 -10.545 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.095 -9.396 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.713 -10.034 -3.599 1.00 0.00 H new ATOM 381 N LEU A 30 -7.389 -8.749 -7.366 1.00 0.00 N ATOM 382 CA LEU A 30 -8.123 -9.124 -8.570 1.00 0.00 C ATOM 383 C LEU A 30 -7.915 -10.599 -8.897 1.00 0.00 C ATOM 384 O LEU A 30 -8.876 -11.352 -9.061 1.00 0.00 O ATOM 385 CB LEU A 30 -7.679 -8.259 -9.751 1.00 0.00 C ATOM 386 CG LEU A 30 -7.700 -6.748 -9.523 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.857 -6.037 -10.570 1.00 0.00 C ATOM 388 CD2 LEU A 30 -9.129 -6.225 -9.542 1.00 0.00 C ATOM 0 H LEU A 30 -6.496 -8.288 -7.543 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.185 -8.959 -8.386 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.666 -8.550 -10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.320 -8.486 -10.603 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.272 -6.543 -8.542 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.885 -4.962 -10.391 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.827 -6.389 -10.508 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.254 -6.250 -11.563 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.124 -5.147 -9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.583 -6.443 -10.508 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.704 -6.710 -8.753 1.00 0.00 H new ATOM 400 N THR A 31 -6.653 -11.007 -8.990 1.00 0.00 N ATOM 401 CA THR A 31 -6.319 -12.392 -9.297 1.00 0.00 C ATOM 402 C THR A 31 -5.014 -12.804 -8.625 1.00 0.00 C ATOM 403 O THR A 31 -4.348 -11.988 -7.986 1.00 0.00 O ATOM 404 CB THR A 31 -6.194 -12.616 -10.816 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.403 -13.999 -11.125 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.826 -12.180 -11.317 1.00 0.00 C ATOM 0 H THR A 31 -5.846 -10.398 -8.857 1.00 0.00 H new ATOM 0 HA THR A 31 -7.133 -13.007 -8.912 1.00 0.00 H new ATOM 0 HB THR A 31 -6.954 -12.014 -11.314 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.540 -14.463 -11.147 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.762 -12.348 -12.392 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.682 -11.120 -11.106 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.052 -12.759 -10.813 1.00 0.00 H new ATOM 414 N HIS A 32 -4.653 -14.075 -8.774 1.00 0.00 N ATOM 415 CA HIS A 32 -3.425 -14.595 -8.182 1.00 0.00 C ATOM 416 C HIS A 32 -2.248 -13.669 -8.472 1.00 0.00 C ATOM 417 O HIS A 32 -1.438 -13.384 -7.589 1.00 0.00 O ATOM 418 CB HIS A 32 -3.131 -15.997 -8.716 1.00 0.00 C ATOM 419 CG HIS A 32 -3.096 -16.073 -10.211 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.228 -15.995 -10.995 1.00 0.00 N ATOM 421 CD2 HIS A 32 -2.058 -16.220 -11.067 1.00 0.00 C ATOM 422 CE1 HIS A 32 -3.888 -16.092 -12.267 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.576 -16.229 -12.338 1.00 0.00 N ATOM 0 H HIS A 32 -5.193 -14.763 -9.299 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.565 -14.648 -7.102 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.173 -16.334 -8.321 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.889 -16.685 -8.343 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.016 -16.313 -10.800 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.567 -16.064 -13.107 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.036 -16.326 -13.198 1.00 0.00 H new ATOM 432 N ASP A 33 -2.159 -13.204 -9.713 1.00 0.00 N ATOM 433 CA ASP A 33 -1.080 -12.311 -10.119 1.00 0.00 C ATOM 434 C ASP A 33 -1.624 -10.932 -10.480 1.00 0.00 C ATOM 435 O ASP A 33 -1.196 -10.322 -11.460 1.00 0.00 O ATOM 436 CB ASP A 33 -0.321 -12.901 -11.309 1.00 0.00 C ATOM 437 CG ASP A 33 0.255 -14.270 -11.007 1.00 0.00 C ATOM 438 OD1 ASP A 33 0.485 -14.567 -9.816 1.00 0.00 O ATOM 439 OD2 ASP A 33 0.476 -15.045 -11.961 1.00 0.00 O ATOM 0 H ASP A 33 -2.821 -13.431 -10.455 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.394 -12.203 -9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.992 -12.973 -12.165 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.486 -12.225 -11.593 1.00 0.00 H new ATOM 444 N ALA A 34 -2.569 -10.447 -9.682 1.00 0.00 N ATOM 445 CA ALA A 34 -3.170 -9.140 -9.916 1.00 0.00 C ATOM 446 C ALA A 34 -3.713 -8.545 -8.621 1.00 0.00 C ATOM 447 O ALA A 34 -4.272 -9.255 -7.786 1.00 0.00 O ATOM 448 CB ALA A 34 -4.277 -9.247 -10.954 1.00 0.00 C ATOM 0 H ALA A 34 -2.935 -10.940 -8.867 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.395 -8.474 -10.294 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.717 -8.264 -11.119 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.863 -9.621 -11.890 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.045 -9.933 -10.597 1.00 0.00 H new ATOM 454 N VAL A 35 -3.542 -7.236 -8.460 1.00 0.00 N ATOM 455 CA VAL A 35 -4.015 -6.545 -7.266 1.00 0.00 C ATOM 456 C VAL A 35 -4.304 -5.077 -7.559 1.00 0.00 C ATOM 457 O VAL A 35 -3.414 -4.327 -7.961 1.00 0.00 O ATOM 458 CB VAL A 35 -2.989 -6.637 -6.121 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.228 -5.535 -5.100 1.00 0.00 C ATOM 460 CG2 VAL A 35 -3.046 -8.007 -5.463 1.00 0.00 C ATOM 0 H VAL A 35 -3.080 -6.633 -9.141 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.937 -7.039 -6.958 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.991 -6.502 -6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.494 -5.616 -4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.131 -4.563 -5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.231 -5.635 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.314 -8.054 -4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.044 -8.175 -5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.821 -8.775 -6.202 1.00 0.00 H new ATOM 470 N ARG A 36 -5.553 -4.673 -7.353 1.00 0.00 N ATOM 471 CA ARG A 36 -5.960 -3.294 -7.596 1.00 0.00 C ATOM 472 C ARG A 36 -5.881 -2.471 -6.314 1.00 0.00 C ATOM 473 O ARG A 36 -6.818 -2.454 -5.516 1.00 0.00 O ATOM 474 CB ARG A 36 -7.383 -3.251 -8.156 1.00 0.00 C ATOM 475 CG ARG A 36 -8.005 -1.864 -8.132 1.00 0.00 C ATOM 476 CD ARG A 36 -7.455 -0.988 -9.247 1.00 0.00 C ATOM 477 NE ARG A 36 -8.463 -0.067 -9.766 1.00 0.00 N ATOM 478 CZ ARG A 36 -9.332 -0.388 -10.717 1.00 0.00 C ATOM 479 NH1 ARG A 36 -9.318 -1.601 -11.251 1.00 0.00 N ATOM 480 NH2 ARG A 36 -10.219 0.506 -11.137 1.00 0.00 N ATOM 0 H ARG A 36 -6.301 -5.281 -7.018 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.276 -2.863 -8.327 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.372 -3.617 -9.183 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.011 -3.932 -7.582 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.087 -1.947 -8.233 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.810 -1.393 -7.168 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.602 -0.420 -8.875 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.089 -1.619 -10.057 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.501 0.875 -9.376 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.638 -2.291 -10.931 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.987 -1.844 -11.981 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.233 1.441 -10.729 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.886 0.258 -11.868 1.00 0.00 H new ATOM 494 N VAL A 37 -4.756 -1.788 -6.123 1.00 0.00 N ATOM 495 CA VAL A 37 -4.555 -0.962 -4.939 1.00 0.00 C ATOM 496 C VAL A 37 -5.134 0.434 -5.138 1.00 0.00 C ATOM 497 O VAL A 37 -4.568 1.255 -5.860 1.00 0.00 O ATOM 498 CB VAL A 37 -3.060 -0.841 -4.587 1.00 0.00 C ATOM 499 CG1 VAL A 37 -2.868 0.063 -3.378 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.459 -2.215 -4.337 1.00 0.00 C ATOM 0 H VAL A 37 -3.970 -1.791 -6.773 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.076 -1.454 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.540 -0.391 -5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.806 0.137 -3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.261 1.055 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.400 -0.355 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.403 -2.111 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.980 -2.695 -3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.563 -2.826 -5.233 1.00 0.00 H new ATOM 510 N SER A 38 -6.266 0.697 -4.493 1.00 0.00 N ATOM 511 CA SER A 38 -6.924 1.993 -4.601 1.00 0.00 C ATOM 512 C SER A 38 -6.887 2.735 -3.268 1.00 0.00 C ATOM 513 O SER A 38 -6.796 2.120 -2.206 1.00 0.00 O ATOM 514 CB SER A 38 -8.374 1.816 -5.059 1.00 0.00 C ATOM 515 OG SER A 38 -9.206 2.828 -4.519 1.00 0.00 O ATOM 0 H SER A 38 -6.746 0.029 -3.890 1.00 0.00 H new ATOM 0 HA SER A 38 -6.386 2.585 -5.341 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.421 1.845 -6.148 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.739 0.837 -4.750 1.00 0.00 H new ATOM 0 HG SER A 38 -10.126 2.694 -4.828 1.00 0.00 H new ATOM 521 N TRP A 39 -6.958 4.059 -3.334 1.00 0.00 N ATOM 522 CA TRP A 39 -6.932 4.886 -2.132 1.00 0.00 C ATOM 523 C TRP A 39 -7.745 6.161 -2.331 1.00 0.00 C ATOM 524 O TRP A 39 -8.389 6.342 -3.364 1.00 0.00 O ATOM 525 CB TRP A 39 -5.491 5.238 -1.762 1.00 0.00 C ATOM 526 CG TRP A 39 -4.756 5.957 -2.852 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.656 7.309 -3.020 1.00 0.00 C ATOM 528 CD2 TRP A 39 -4.019 5.362 -3.926 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.902 7.590 -4.134 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.499 6.412 -4.707 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.747 4.044 -4.303 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.725 6.183 -5.841 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -2.979 3.818 -5.429 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.474 4.883 -6.187 1.00 0.00 C ATOM 0 H TRP A 39 -7.034 4.583 -4.206 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.380 4.315 -1.318 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.495 5.859 -0.866 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.953 4.323 -1.514 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -5.104 8.048 -2.372 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.679 8.524 -4.478 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.130 3.217 -3.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.336 7.002 -6.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.764 2.803 -5.730 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -1.875 4.674 -7.061 1.00 0.00 H new ATOM 545 N ALA A 40 -7.711 7.041 -1.336 1.00 0.00 N ATOM 546 CA ALA A 40 -8.442 8.299 -1.403 1.00 0.00 C ATOM 547 C ALA A 40 -7.526 9.483 -1.112 1.00 0.00 C ATOM 548 O ALA A 40 -6.491 9.334 -0.464 1.00 0.00 O ATOM 549 CB ALA A 40 -9.612 8.283 -0.430 1.00 0.00 C ATOM 0 H ALA A 40 -7.184 6.905 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.828 8.412 -2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.149 9.230 -0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.287 7.466 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.240 8.142 0.585 1.00 0.00 H new ATOM 555 N ASP A 41 -7.914 10.658 -1.596 1.00 0.00 N ATOM 556 CA ASP A 41 -7.128 11.868 -1.387 1.00 0.00 C ATOM 557 C ASP A 41 -7.876 12.856 -0.498 1.00 0.00 C ATOM 558 O ASP A 41 -9.023 13.207 -0.772 1.00 0.00 O ATOM 559 CB ASP A 41 -6.794 12.522 -2.729 1.00 0.00 C ATOM 560 CG ASP A 41 -5.779 13.640 -2.591 1.00 0.00 C ATOM 561 OD1 ASP A 41 -5.383 13.944 -1.446 1.00 0.00 O ATOM 562 OD2 ASP A 41 -5.381 14.212 -3.628 1.00 0.00 O ATOM 0 H ASP A 41 -8.768 10.798 -2.136 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.201 11.588 -0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.407 11.766 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.707 12.917 -3.175 1.00 0.00 H new ATOM 567 N ASN A 42 -7.219 13.299 0.569 1.00 0.00 N ATOM 568 CA ASN A 42 -7.823 14.246 1.500 1.00 0.00 C ATOM 569 C ASN A 42 -7.092 15.584 1.466 1.00 0.00 C ATOM 570 O ASN A 42 -7.715 16.641 1.366 1.00 0.00 O ATOM 571 CB ASN A 42 -7.805 13.678 2.921 1.00 0.00 C ATOM 572 CG ASN A 42 -9.037 12.849 3.228 1.00 0.00 C ATOM 573 OD1 ASN A 42 -9.330 11.882 2.366 1.00 0.00 O flip ATOM 574 ND2 ASN A 42 -9.717 13.076 4.229 1.00 0.00 N flip ATOM 0 H ASN A 42 -6.269 13.018 0.811 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.856 14.409 1.194 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.915 13.063 3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.735 14.498 3.636 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.454 13.830 4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.543 12.510 4.423 1.00 0.00 H new ATOM 581 N SER A 43 -5.766 15.531 1.549 1.00 0.00 N ATOM 582 CA SER A 43 -4.950 16.739 1.531 1.00 0.00 C ATOM 583 C SER A 43 -5.549 17.785 0.597 1.00 0.00 C ATOM 584 O SER A 43 -5.413 18.988 0.824 1.00 0.00 O ATOM 585 CB SER A 43 -3.521 16.408 1.095 1.00 0.00 C ATOM 586 OG SER A 43 -2.726 17.578 1.021 1.00 0.00 O ATOM 0 H SER A 43 -5.234 14.664 1.629 1.00 0.00 H new ATOM 0 HA SER A 43 -4.929 17.149 2.541 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.076 15.706 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.539 15.915 0.123 1.00 0.00 H new ATOM 0 HG SER A 43 -1.817 17.339 0.742 1.00 0.00 H new ATOM 592 N VAL A 44 -6.213 17.319 -0.456 1.00 0.00 N ATOM 593 CA VAL A 44 -6.835 18.213 -1.425 1.00 0.00 C ATOM 594 C VAL A 44 -7.754 19.216 -0.737 1.00 0.00 C ATOM 595 O VAL A 44 -8.721 18.852 -0.068 1.00 0.00 O ATOM 596 CB VAL A 44 -7.644 17.428 -2.475 1.00 0.00 C ATOM 597 CG1 VAL A 44 -8.723 16.593 -1.802 1.00 0.00 C ATOM 598 CG2 VAL A 44 -8.252 18.377 -3.497 1.00 0.00 C ATOM 0 H VAL A 44 -6.334 16.327 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.028 18.748 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.968 16.752 -2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.284 16.045 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.260 15.887 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.399 17.247 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.820 17.806 -4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.915 19.079 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.457 18.927 -4.001 1.00 0.00 H new ATOM 608 N PRO A 45 -7.447 20.511 -0.905 1.00 0.00 N ATOM 609 CA PRO A 45 -8.234 21.595 -0.308 1.00 0.00 C ATOM 610 C PRO A 45 -9.608 21.736 -0.953 1.00 0.00 C ATOM 611 O PRO A 45 -9.749 21.622 -2.171 1.00 0.00 O ATOM 612 CB PRO A 45 -7.385 22.840 -0.579 1.00 0.00 C ATOM 613 CG PRO A 45 -6.578 22.494 -1.783 1.00 0.00 C ATOM 614 CD PRO A 45 -6.308 21.017 -1.690 1.00 0.00 C ATOM 0 HA PRO A 45 -8.433 21.420 0.749 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.011 23.714 -0.760 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.746 23.076 0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.119 22.735 -2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.647 23.060 -1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.262 20.554 -2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.358 20.812 -1.197 1.00 0.00 H new ATOM 622 N LYS A 46 -10.620 21.986 -0.130 1.00 0.00 N ATOM 623 CA LYS A 46 -11.984 22.145 -0.619 1.00 0.00 C ATOM 624 C LYS A 46 -12.089 23.342 -1.559 1.00 0.00 C ATOM 625 O LYS A 46 -12.691 23.253 -2.628 1.00 0.00 O ATOM 626 CB LYS A 46 -12.952 22.317 0.554 1.00 0.00 C ATOM 627 CG LYS A 46 -12.647 23.525 1.422 1.00 0.00 C ATOM 628 CD LYS A 46 -13.674 23.690 2.530 1.00 0.00 C ATOM 629 CE LYS A 46 -13.120 24.508 3.686 1.00 0.00 C ATOM 630 NZ LYS A 46 -13.284 25.971 3.458 1.00 0.00 N ATOM 0 H LYS A 46 -10.521 22.083 0.881 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.252 21.246 -1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -13.967 22.405 0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -12.924 21.420 1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.654 23.419 1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.630 24.423 0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.565 24.177 2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -13.981 22.709 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.628 24.225 4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.063 24.277 3.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.053 26.486 4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.646 26.277 2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -14.268 26.172 3.188 1.00 0.00 H new ATOM 644 N ASN A 47 -11.499 24.461 -1.152 1.00 0.00 N ATOM 645 CA ASN A 47 -11.525 25.676 -1.958 1.00 0.00 C ATOM 646 C ASN A 47 -10.243 25.817 -2.773 1.00 0.00 C ATOM 647 O ASN A 47 -9.656 26.896 -2.842 1.00 0.00 O ATOM 648 CB ASN A 47 -11.712 26.903 -1.064 1.00 0.00 C ATOM 649 CG ASN A 47 -10.795 26.882 0.144 1.00 0.00 C ATOM 650 OD1 ASN A 47 -11.004 26.114 1.083 1.00 0.00 O ATOM 651 ND2 ASN A 47 -9.772 27.729 0.125 1.00 0.00 N ATOM 0 H ASN A 47 -10.997 24.552 -0.269 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.366 25.606 -2.647 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.522 27.805 -1.645 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.748 26.951 -0.730 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.121 27.761 0.910 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -9.637 28.348 -0.675 1.00 0.00 H new ATOM 658 N GLN A 48 -9.815 24.718 -3.387 1.00 0.00 N ATOM 659 CA GLN A 48 -8.603 24.720 -4.197 1.00 0.00 C ATOM 660 C GLN A 48 -8.495 26.003 -5.013 1.00 0.00 C ATOM 661 O GLN A 48 -9.388 26.333 -5.793 1.00 0.00 O ATOM 662 CB GLN A 48 -8.584 23.506 -5.128 1.00 0.00 C ATOM 663 CG GLN A 48 -7.231 23.254 -5.772 1.00 0.00 C ATOM 664 CD GLN A 48 -7.059 24.000 -7.080 1.00 0.00 C ATOM 665 OE1 GLN A 48 -7.379 25.185 -7.179 1.00 0.00 O ATOM 666 NE2 GLN A 48 -6.551 23.309 -8.094 1.00 0.00 N ATOM 0 H GLN A 48 -10.289 23.816 -3.339 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.747 24.666 -3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.879 22.621 -4.564 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.329 23.647 -5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.443 23.553 -5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.111 22.185 -5.949 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.299 22.329 -7.968 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.412 23.759 -8.999 1.00 0.00 H new ATOM 675 N LYS A 49 -7.394 26.725 -4.829 1.00 0.00 N ATOM 676 CA LYS A 49 -7.167 27.973 -5.548 1.00 0.00 C ATOM 677 C LYS A 49 -6.133 27.783 -6.653 1.00 0.00 C ATOM 678 O LYS A 49 -6.408 28.041 -7.826 1.00 0.00 O ATOM 679 CB LYS A 49 -6.703 29.065 -4.582 1.00 0.00 C ATOM 680 CG LYS A 49 -7.821 29.636 -3.726 1.00 0.00 C ATOM 681 CD LYS A 49 -8.731 30.546 -4.533 1.00 0.00 C ATOM 682 CE LYS A 49 -8.166 31.955 -4.630 1.00 0.00 C ATOM 683 NZ LYS A 49 -8.535 32.783 -3.448 1.00 0.00 N ATOM 0 H LYS A 49 -6.645 26.466 -4.187 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.109 28.277 -6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.930 28.657 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.245 29.873 -5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.406 28.821 -3.299 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.394 30.193 -2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.862 30.136 -5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.717 30.579 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.080 31.906 -4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.535 32.433 -5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.131 33.736 -3.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.571 32.851 -3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.161 32.341 -2.584 1.00 0.00 H new ATOM 697 N THR A 50 -4.943 27.330 -6.272 1.00 0.00 N ATOM 698 CA THR A 50 -3.868 27.106 -7.231 1.00 0.00 C ATOM 699 C THR A 50 -3.836 25.653 -7.691 1.00 0.00 C ATOM 700 O THR A 50 -3.840 24.733 -6.873 1.00 0.00 O ATOM 701 CB THR A 50 -2.497 27.474 -6.633 1.00 0.00 C ATOM 702 OG1 THR A 50 -2.339 26.856 -5.351 1.00 0.00 O ATOM 703 CG2 THR A 50 -2.354 28.982 -6.496 1.00 0.00 C ATOM 0 H THR A 50 -4.699 27.111 -5.306 1.00 0.00 H new ATOM 0 HA THR A 50 -4.068 27.751 -8.087 1.00 0.00 H new ATOM 0 HB THR A 50 -1.722 27.111 -7.308 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.246 25.887 -5.464 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.378 29.218 -6.072 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.445 29.447 -7.478 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.137 29.364 -5.840 1.00 0.00 H new ATOM 711 N SER A 51 -3.802 25.453 -9.004 1.00 0.00 N ATOM 712 CA SER A 51 -3.772 24.111 -9.573 1.00 0.00 C ATOM 713 C SER A 51 -2.368 23.520 -9.497 1.00 0.00 C ATOM 714 O SER A 51 -1.627 23.527 -10.480 1.00 0.00 O ATOM 715 CB SER A 51 -4.249 24.139 -11.026 1.00 0.00 C ATOM 716 OG SER A 51 -4.599 22.840 -11.473 1.00 0.00 O ATOM 0 H SER A 51 -3.795 26.204 -9.694 1.00 0.00 H new ATOM 0 HA SER A 51 -4.444 23.481 -8.990 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.109 24.802 -11.117 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.463 24.547 -11.662 1.00 0.00 H new ATOM 0 HG SER A 51 -4.902 22.885 -12.404 1.00 0.00 H new ATOM 722 N GLU A 52 -2.009 23.010 -8.323 1.00 0.00 N ATOM 723 CA GLU A 52 -0.693 22.416 -8.119 1.00 0.00 C ATOM 724 C GLU A 52 -0.667 20.970 -8.605 1.00 0.00 C ATOM 725 O GLU A 52 -1.585 20.195 -8.334 1.00 0.00 O ATOM 726 CB GLU A 52 -0.306 22.475 -6.640 1.00 0.00 C ATOM 727 CG GLU A 52 -1.355 21.885 -5.713 1.00 0.00 C ATOM 728 CD GLU A 52 -2.366 22.914 -5.245 1.00 0.00 C ATOM 729 OE1 GLU A 52 -1.984 24.092 -5.086 1.00 0.00 O ATOM 730 OE2 GLU A 52 -3.540 22.541 -5.040 1.00 0.00 O ATOM 0 H GLU A 52 -2.611 22.996 -7.499 1.00 0.00 H new ATOM 0 HA GLU A 52 0.030 22.989 -8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.634 21.942 -6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.129 23.514 -6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.876 21.077 -6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.862 21.445 -4.846 1.00 0.00 H new ATOM 737 N VAL A 53 0.391 20.613 -9.327 1.00 0.00 N ATOM 738 CA VAL A 53 0.538 19.261 -9.851 1.00 0.00 C ATOM 739 C VAL A 53 1.258 18.360 -8.854 1.00 0.00 C ATOM 740 O VAL A 53 1.818 18.834 -7.866 1.00 0.00 O ATOM 741 CB VAL A 53 1.312 19.256 -11.183 1.00 0.00 C ATOM 742 CG1 VAL A 53 2.790 19.520 -10.942 1.00 0.00 C ATOM 743 CG2 VAL A 53 1.109 17.936 -11.912 1.00 0.00 C ATOM 0 H VAL A 53 1.159 21.242 -9.562 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.468 18.877 -10.022 1.00 0.00 H new ATOM 0 HB VAL A 53 0.923 20.056 -11.813 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.321 19.513 -11.894 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.913 20.493 -10.465 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.197 18.744 -10.294 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.663 17.950 -12.851 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.470 17.117 -11.290 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.048 17.794 -12.119 1.00 0.00 H new ATOM 753 N ARG A 54 1.241 17.058 -9.121 1.00 0.00 N ATOM 754 CA ARG A 54 1.892 16.090 -8.247 1.00 0.00 C ATOM 755 C ARG A 54 1.825 14.687 -8.843 1.00 0.00 C ATOM 756 O ARG A 54 1.150 14.460 -9.849 1.00 0.00 O ATOM 757 CB ARG A 54 1.238 16.100 -6.864 1.00 0.00 C ATOM 758 CG ARG A 54 -0.264 15.871 -6.898 1.00 0.00 C ATOM 759 CD ARG A 54 -1.025 17.182 -7.010 1.00 0.00 C ATOM 760 NE ARG A 54 -2.437 17.026 -6.673 1.00 0.00 N ATOM 761 CZ ARG A 54 -3.356 16.606 -7.535 1.00 0.00 C ATOM 762 NH1 ARG A 54 -3.013 16.302 -8.779 1.00 0.00 N ATOM 763 NH2 ARG A 54 -4.622 16.490 -7.154 1.00 0.00 N ATOM 0 H ARG A 54 0.783 16.649 -9.936 1.00 0.00 H new ATOM 0 HA ARG A 54 2.940 16.374 -8.149 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.700 15.329 -6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.440 17.057 -6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.516 15.229 -7.742 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.574 15.345 -5.995 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.574 17.921 -6.348 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.935 17.568 -8.026 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.734 17.252 -5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.041 16.390 -9.076 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.721 15.980 -9.439 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.890 16.724 -6.198 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.327 16.167 -7.817 1.00 0.00 H new ATOM 777 N LEU A 55 2.528 13.750 -8.218 1.00 0.00 N ATOM 778 CA LEU A 55 2.549 12.369 -8.687 1.00 0.00 C ATOM 779 C LEU A 55 2.410 11.395 -7.521 1.00 0.00 C ATOM 780 O LEU A 55 2.874 11.668 -6.413 1.00 0.00 O ATOM 781 CB LEU A 55 3.846 12.088 -9.449 1.00 0.00 C ATOM 782 CG LEU A 55 4.202 10.614 -9.646 1.00 0.00 C ATOM 783 CD1 LEU A 55 3.682 10.113 -10.984 1.00 0.00 C ATOM 784 CD2 LEU A 55 5.707 10.411 -9.547 1.00 0.00 C ATOM 0 H LEU A 55 3.091 13.921 -7.385 1.00 0.00 H new ATOM 0 HA LEU A 55 1.702 12.227 -9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.777 12.559 -10.430 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.667 12.572 -8.920 1.00 0.00 H new ATOM 0 HG LEU A 55 3.724 10.036 -8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.945 9.062 -11.106 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.598 10.222 -11.017 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.130 10.695 -11.789 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.942 9.356 -9.690 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.205 11.001 -10.316 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.053 10.730 -8.564 1.00 0.00 H new ATOM 796 N TYR A 56 1.771 10.260 -7.778 1.00 0.00 N ATOM 797 CA TYR A 56 1.571 9.246 -6.749 1.00 0.00 C ATOM 798 C TYR A 56 2.376 7.988 -7.060 1.00 0.00 C ATOM 799 O TYR A 56 2.257 7.410 -8.142 1.00 0.00 O ATOM 800 CB TYR A 56 0.086 8.898 -6.629 1.00 0.00 C ATOM 801 CG TYR A 56 -0.709 9.903 -5.826 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.515 11.268 -6.000 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.652 9.488 -4.894 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.239 12.190 -5.268 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.380 10.403 -4.160 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.170 11.753 -4.350 1.00 0.00 C ATOM 807 OH TYR A 56 -2.893 12.668 -3.619 1.00 0.00 O ATOM 0 H TYR A 56 1.382 10.018 -8.690 1.00 0.00 H new ATOM 0 HA TYR A 56 1.920 9.653 -5.800 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.343 8.823 -7.628 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.012 7.916 -6.166 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.213 11.614 -6.719 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.818 8.432 -4.741 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.076 13.248 -5.414 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.110 10.063 -3.441 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.715 12.896 -4.102 1.00 0.00 H new ATOM 817 N THR A 57 3.197 7.567 -6.103 1.00 0.00 N ATOM 818 CA THR A 57 4.024 6.379 -6.273 1.00 0.00 C ATOM 819 C THR A 57 3.486 5.213 -5.450 1.00 0.00 C ATOM 820 O THR A 57 2.903 5.410 -4.384 1.00 0.00 O ATOM 821 CB THR A 57 5.485 6.648 -5.868 1.00 0.00 C ATOM 822 OG1 THR A 57 5.953 7.850 -6.489 1.00 0.00 O ATOM 823 CG2 THR A 57 6.380 5.484 -6.266 1.00 0.00 C ATOM 0 H THR A 57 3.307 8.032 -5.202 1.00 0.00 H new ATOM 0 HA THR A 57 3.991 6.120 -7.331 1.00 0.00 H new ATOM 0 HB THR A 57 5.523 6.761 -4.785 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.091 7.691 -7.446 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.407 5.697 -5.970 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.039 4.576 -5.768 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.336 5.344 -7.346 1.00 0.00 H new ATOM 831 N VAL A 58 3.687 3.999 -5.952 1.00 0.00 N ATOM 832 CA VAL A 58 3.224 2.801 -5.261 1.00 0.00 C ATOM 833 C VAL A 58 4.327 1.753 -5.179 1.00 0.00 C ATOM 834 O VAL A 58 4.800 1.253 -6.200 1.00 0.00 O ATOM 835 CB VAL A 58 1.998 2.186 -5.964 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.411 1.061 -5.127 1.00 0.00 C ATOM 837 CG2 VAL A 58 0.953 3.256 -6.244 1.00 0.00 C ATOM 0 H VAL A 58 4.167 3.819 -6.834 1.00 0.00 H new ATOM 0 HA VAL A 58 2.941 3.106 -4.254 1.00 0.00 H new ATOM 0 HB VAL A 58 2.319 1.766 -6.917 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.546 0.639 -5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.162 0.284 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.103 1.452 -4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.094 2.805 -6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.633 3.707 -5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.382 4.024 -6.888 1.00 0.00 H new ATOM 847 N ARG A 59 4.733 1.423 -3.958 1.00 0.00 N ATOM 848 CA ARG A 59 5.783 0.434 -3.742 1.00 0.00 C ATOM 849 C ARG A 59 5.232 -0.795 -3.024 1.00 0.00 C ATOM 850 O ARG A 59 4.356 -0.684 -2.167 1.00 0.00 O ATOM 851 CB ARG A 59 6.927 1.043 -2.929 1.00 0.00 C ATOM 852 CG ARG A 59 6.601 1.219 -1.455 1.00 0.00 C ATOM 853 CD ARG A 59 7.853 1.149 -0.595 1.00 0.00 C ATOM 854 NE ARG A 59 8.598 2.405 -0.610 1.00 0.00 N ATOM 855 CZ ARG A 59 9.599 2.656 -1.446 1.00 0.00 C ATOM 856 NH1 ARG A 59 9.972 1.742 -2.332 1.00 0.00 N ATOM 857 NH2 ARG A 59 10.228 3.823 -1.399 1.00 0.00 N ATOM 0 H ARG A 59 4.351 1.826 -3.102 1.00 0.00 H new ATOM 0 HA ARG A 59 6.163 0.125 -4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.807 0.407 -3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.187 2.013 -3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.107 2.179 -1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.899 0.446 -1.142 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.575 0.904 0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.494 0.343 -0.953 1.00 0.00 H new ATOM 0 HE ARG A 59 8.335 3.129 0.058 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.490 0.844 -2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.741 1.937 -2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.943 4.529 -0.720 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.997 4.014 -2.042 1.00 0.00 H new ATOM 871 N TRP A 60 5.751 -1.964 -3.381 1.00 0.00 N ATOM 872 CA TRP A 60 5.311 -3.214 -2.772 1.00 0.00 C ATOM 873 C TRP A 60 6.416 -4.263 -2.824 1.00 0.00 C ATOM 874 O TRP A 60 7.314 -4.191 -3.663 1.00 0.00 O ATOM 875 CB TRP A 60 4.060 -3.737 -3.479 1.00 0.00 C ATOM 876 CG TRP A 60 4.288 -4.066 -4.924 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.623 -5.283 -5.444 1.00 0.00 C ATOM 878 CD2 TRP A 60 4.200 -3.164 -6.032 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.748 -5.192 -6.809 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.492 -3.903 -7.195 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.900 -1.805 -6.156 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.495 -3.326 -8.462 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.903 -1.234 -7.414 1.00 0.00 C ATOM 884 CH2 TRP A 60 4.198 -1.994 -8.554 1.00 0.00 C ATOM 0 H TRP A 60 6.477 -2.073 -4.089 1.00 0.00 H new ATOM 0 HA TRP A 60 5.073 -3.016 -1.727 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.705 -4.629 -2.962 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.270 -2.990 -3.404 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.768 -6.184 -4.867 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.992 -5.960 -7.434 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.670 -1.211 -5.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.724 -3.910 -9.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.674 -0.184 -7.521 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.191 -1.519 -9.524 1.00 0.00 H new ATOM 895 N ARG A 61 6.344 -5.237 -1.922 1.00 0.00 N ATOM 896 CA ARG A 61 7.339 -6.301 -1.865 1.00 0.00 C ATOM 897 C ARG A 61 6.922 -7.383 -0.874 1.00 0.00 C ATOM 898 O ARG A 61 6.207 -7.114 0.092 1.00 0.00 O ATOM 899 CB ARG A 61 8.703 -5.731 -1.471 1.00 0.00 C ATOM 900 CG ARG A 61 8.808 -5.363 0.000 1.00 0.00 C ATOM 901 CD ARG A 61 9.414 -6.494 0.816 1.00 0.00 C ATOM 902 NE ARG A 61 8.963 -6.469 2.205 1.00 0.00 N ATOM 903 CZ ARG A 61 9.632 -7.034 3.204 1.00 0.00 C ATOM 904 NH1 ARG A 61 10.775 -7.664 2.970 1.00 0.00 N ATOM 905 NH2 ARG A 61 9.157 -6.969 4.442 1.00 0.00 N ATOM 0 H ARG A 61 5.607 -5.311 -1.221 1.00 0.00 H new ATOM 0 HA ARG A 61 7.412 -6.750 -2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.475 -6.462 -1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.905 -4.845 -2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.419 -4.467 0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.818 -5.123 0.388 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.147 -7.450 0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.501 -6.420 0.786 1.00 0.00 H new ATOM 0 HE ARG A 61 8.087 -5.992 2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.144 -7.716 2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.286 -8.097 3.740 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.278 -6.485 4.626 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.671 -7.403 5.209 1.00 0.00 H new ATOM 919 N THR A 62 7.374 -8.609 -1.120 1.00 0.00 N ATOM 920 CA THR A 62 7.047 -9.732 -0.251 1.00 0.00 C ATOM 921 C THR A 62 6.951 -9.292 1.205 1.00 0.00 C ATOM 922 O THR A 62 7.798 -8.545 1.695 1.00 0.00 O ATOM 923 CB THR A 62 8.094 -10.856 -0.367 1.00 0.00 C ATOM 924 OG1 THR A 62 9.409 -10.294 -0.445 1.00 0.00 O ATOM 925 CG2 THR A 62 7.831 -11.717 -1.593 1.00 0.00 C ATOM 0 H THR A 62 7.968 -8.849 -1.914 1.00 0.00 H new ATOM 0 HA THR A 62 6.079 -10.112 -0.578 1.00 0.00 H new ATOM 0 HB THR A 62 8.020 -11.484 0.521 1.00 0.00 H new ATOM 0 HG1 THR A 62 10.069 -11.015 -0.517 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.583 -12.504 -1.653 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.841 -12.167 -1.516 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.880 -11.099 -2.489 1.00 0.00 H new ATOM 933 N SER A 63 5.913 -9.758 1.893 1.00 0.00 N ATOM 934 CA SER A 63 5.704 -9.409 3.293 1.00 0.00 C ATOM 935 C SER A 63 6.281 -10.481 4.212 1.00 0.00 C ATOM 936 O SER A 63 5.901 -11.650 4.136 1.00 0.00 O ATOM 937 CB SER A 63 4.213 -9.224 3.578 1.00 0.00 C ATOM 938 OG SER A 63 3.956 -9.220 4.972 1.00 0.00 O ATOM 0 H SER A 63 5.204 -10.378 1.503 1.00 0.00 H new ATOM 0 HA SER A 63 6.222 -8.470 3.489 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.869 -8.287 3.139 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.647 -10.025 3.103 1.00 0.00 H new ATOM 0 HG SER A 63 3.713 -10.124 5.262 1.00 0.00 H new ATOM 944 N PHE A 64 7.200 -10.075 5.081 1.00 0.00 N ATOM 945 CA PHE A 64 7.831 -11.001 6.015 1.00 0.00 C ATOM 946 C PHE A 64 8.782 -11.945 5.286 1.00 0.00 C ATOM 947 O PHE A 64 8.767 -13.155 5.512 1.00 0.00 O ATOM 948 CB PHE A 64 6.768 -11.807 6.763 1.00 0.00 C ATOM 949 CG PHE A 64 5.641 -10.967 7.293 1.00 0.00 C ATOM 950 CD1 PHE A 64 5.891 -9.912 8.155 1.00 0.00 C ATOM 951 CD2 PHE A 64 4.330 -11.233 6.928 1.00 0.00 C ATOM 952 CE1 PHE A 64 4.856 -9.138 8.645 1.00 0.00 C ATOM 953 CE2 PHE A 64 3.291 -10.462 7.414 1.00 0.00 C ATOM 954 CZ PHE A 64 3.554 -9.413 8.272 1.00 0.00 C ATOM 0 H PHE A 64 7.525 -9.111 5.158 1.00 0.00 H new ATOM 0 HA PHE A 64 8.407 -10.417 6.733 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.362 -12.566 6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.240 -12.333 7.593 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.907 -9.692 8.448 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.118 -12.052 6.256 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.064 -8.320 9.318 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.274 -10.680 7.123 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.744 -8.808 8.651 1.00 0.00 H new ATOM 964 N SER A 65 9.609 -11.383 4.411 1.00 0.00 N ATOM 965 CA SER A 65 10.565 -12.174 3.645 1.00 0.00 C ATOM 966 C SER A 65 11.926 -11.487 3.599 1.00 0.00 C ATOM 967 O SER A 65 12.014 -10.260 3.570 1.00 0.00 O ATOM 968 CB SER A 65 10.048 -12.401 2.223 1.00 0.00 C ATOM 969 OG SER A 65 9.279 -13.589 2.144 1.00 0.00 O ATOM 0 H SER A 65 9.636 -10.382 4.215 1.00 0.00 H new ATOM 0 HA SER A 65 10.681 -13.138 4.141 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.441 -11.550 1.913 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.889 -12.462 1.532 1.00 0.00 H new ATOM 0 HG SER A 65 8.959 -13.711 1.226 1.00 0.00 H new ATOM 975 N ALA A 66 12.987 -12.288 3.594 1.00 0.00 N ATOM 976 CA ALA A 66 14.344 -11.758 3.550 1.00 0.00 C ATOM 977 C ALA A 66 14.918 -11.836 2.139 1.00 0.00 C ATOM 978 O ALA A 66 14.465 -12.633 1.317 1.00 0.00 O ATOM 979 CB ALA A 66 15.236 -12.510 4.527 1.00 0.00 C ATOM 0 H ALA A 66 12.932 -13.306 3.620 1.00 0.00 H new ATOM 0 HA ALA A 66 14.308 -10.708 3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 66 16.247 -12.104 4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.843 -12.399 5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.258 -13.567 4.260 1.00 0.00 H new ATOM 985 N SER A 67 15.917 -11.003 1.865 1.00 0.00 N ATOM 986 CA SER A 67 16.550 -10.975 0.552 1.00 0.00 C ATOM 987 C SER A 67 15.536 -10.625 -0.533 1.00 0.00 C ATOM 988 O SER A 67 15.403 -11.338 -1.527 1.00 0.00 O ATOM 989 CB SER A 67 17.196 -12.327 0.244 1.00 0.00 C ATOM 990 OG SER A 67 18.208 -12.197 -0.740 1.00 0.00 O ATOM 0 H SER A 67 16.305 -10.339 2.535 1.00 0.00 H new ATOM 0 HA SER A 67 17.322 -10.206 0.566 1.00 0.00 H new ATOM 0 HB2 SER A 67 17.622 -12.746 1.156 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.435 -13.026 -0.103 1.00 0.00 H new ATOM 0 HG SER A 67 18.606 -13.075 -0.918 1.00 0.00 H new ATOM 996 N ALA A 68 14.822 -9.521 -0.333 1.00 0.00 N ATOM 997 CA ALA A 68 13.821 -9.075 -1.294 1.00 0.00 C ATOM 998 C ALA A 68 14.016 -7.604 -1.645 1.00 0.00 C ATOM 999 O ALA A 68 14.609 -6.844 -0.879 1.00 0.00 O ATOM 1000 CB ALA A 68 12.422 -9.307 -0.744 1.00 0.00 C ATOM 0 H ALA A 68 14.919 -8.920 0.485 1.00 0.00 H new ATOM 0 HA ALA A 68 13.942 -9.659 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.684 -8.969 -1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.279 -10.370 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.298 -8.748 0.184 1.00 0.00 H new ATOM 1006 N LYS A 69 13.513 -7.207 -2.810 1.00 0.00 N ATOM 1007 CA LYS A 69 13.631 -5.826 -3.264 1.00 0.00 C ATOM 1008 C LYS A 69 12.282 -5.117 -3.202 1.00 0.00 C ATOM 1009 O LYS A 69 11.233 -5.742 -3.354 1.00 0.00 O ATOM 1010 CB LYS A 69 14.177 -5.783 -4.693 1.00 0.00 C ATOM 1011 CG LYS A 69 13.234 -6.379 -5.723 1.00 0.00 C ATOM 1012 CD LYS A 69 12.278 -5.334 -6.275 1.00 0.00 C ATOM 1013 CE LYS A 69 12.864 -4.629 -7.488 1.00 0.00 C ATOM 1014 NZ LYS A 69 13.949 -3.682 -7.109 1.00 0.00 N ATOM 0 H LYS A 69 13.020 -7.823 -3.457 1.00 0.00 H new ATOM 0 HA LYS A 69 14.325 -5.309 -2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.387 -4.748 -4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 69 15.125 -6.320 -4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.812 -6.812 -6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.665 -7.191 -5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.336 -5.809 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.052 -4.601 -5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.256 -5.370 -8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.075 -4.087 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.066 -2.970 -7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.700 -3.208 -6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.839 -4.205 -6.987 1.00 0.00 H new ATOM 1028 N TYR A 70 12.318 -3.807 -2.980 1.00 0.00 N ATOM 1029 CA TYR A 70 11.098 -3.013 -2.897 1.00 0.00 C ATOM 1030 C TYR A 70 10.773 -2.372 -4.243 1.00 0.00 C ATOM 1031 O TYR A 70 11.478 -1.474 -4.703 1.00 0.00 O ATOM 1032 CB TYR A 70 11.241 -1.931 -1.825 1.00 0.00 C ATOM 1033 CG TYR A 70 10.681 -2.332 -0.480 1.00 0.00 C ATOM 1034 CD1 TYR A 70 9.354 -2.078 -0.154 1.00 0.00 C ATOM 1035 CD2 TYR A 70 11.478 -2.966 0.466 1.00 0.00 C ATOM 1036 CE1 TYR A 70 8.838 -2.442 1.074 1.00 0.00 C ATOM 1037 CE2 TYR A 70 10.969 -3.335 1.696 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.649 -3.071 1.996 1.00 0.00 C ATOM 1039 OH TYR A 70 9.139 -3.437 3.220 1.00 0.00 O ATOM 0 H TYR A 70 13.178 -3.273 -2.854 1.00 0.00 H new ATOM 0 HA TYR A 70 10.279 -3.679 -2.625 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.296 -1.683 -1.710 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.736 -1.027 -2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 70 8.715 -1.587 -0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 70 12.512 -3.174 0.236 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.805 -2.235 1.311 1.00 0.00 H new ATOM 0 HE2 TYR A 70 11.602 -3.828 2.419 1.00 0.00 H new ATOM 0 HH TYR A 70 9.840 -3.870 3.750 1.00 0.00 H new ATOM 1049 N LYS A 71 9.699 -2.841 -4.869 1.00 0.00 N ATOM 1050 CA LYS A 71 9.276 -2.314 -6.162 1.00 0.00 C ATOM 1051 C LYS A 71 8.600 -0.957 -6.002 1.00 0.00 C ATOM 1052 O LYS A 71 8.225 -0.566 -4.896 1.00 0.00 O ATOM 1053 CB LYS A 71 8.321 -3.294 -6.847 1.00 0.00 C ATOM 1054 CG LYS A 71 8.370 -3.231 -8.364 1.00 0.00 C ATOM 1055 CD LYS A 71 7.650 -4.411 -8.994 1.00 0.00 C ATOM 1056 CE LYS A 71 7.509 -4.239 -10.499 1.00 0.00 C ATOM 1057 NZ LYS A 71 7.086 -5.502 -11.165 1.00 0.00 N ATOM 0 H LYS A 71 9.105 -3.585 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 71 10.163 -2.187 -6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.562 -4.307 -6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.303 -3.088 -6.516 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.915 -2.301 -8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.408 -3.218 -8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.198 -5.329 -8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.663 -4.518 -8.545 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.780 -3.456 -10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.460 -3.909 -10.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.001 -5.343 -12.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.794 -6.242 -10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.166 -5.804 -10.784 1.00 0.00 H new ATOM 1071 N SER A 72 8.446 -0.243 -7.112 1.00 0.00 N ATOM 1072 CA SER A 72 7.816 1.072 -7.094 1.00 0.00 C ATOM 1073 C SER A 72 7.310 1.451 -8.482 1.00 0.00 C ATOM 1074 O SER A 72 7.982 1.215 -9.485 1.00 0.00 O ATOM 1075 CB SER A 72 8.804 2.127 -6.593 1.00 0.00 C ATOM 1076 OG SER A 72 9.573 1.633 -5.510 1.00 0.00 O ATOM 0 H SER A 72 8.749 -0.553 -8.035 1.00 0.00 H new ATOM 0 HA SER A 72 6.964 1.030 -6.415 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.465 2.425 -7.406 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.261 3.019 -6.280 1.00 0.00 H new ATOM 0 HG SER A 72 9.017 1.048 -4.954 1.00 0.00 H new ATOM 1082 N GLU A 73 6.119 2.042 -8.531 1.00 0.00 N ATOM 1083 CA GLU A 73 5.522 2.453 -9.796 1.00 0.00 C ATOM 1084 C GLU A 73 4.877 3.830 -9.671 1.00 0.00 C ATOM 1085 O GLU A 73 4.389 4.204 -8.604 1.00 0.00 O ATOM 1086 CB GLU A 73 4.480 1.429 -10.250 1.00 0.00 C ATOM 1087 CG GLU A 73 5.056 0.311 -11.102 1.00 0.00 C ATOM 1088 CD GLU A 73 6.056 0.813 -12.126 1.00 0.00 C ATOM 1089 OE1 GLU A 73 5.739 1.794 -12.831 1.00 0.00 O ATOM 1090 OE2 GLU A 73 7.154 0.227 -12.221 1.00 0.00 O ATOM 0 H GLU A 73 5.550 2.246 -7.710 1.00 0.00 H new ATOM 0 HA GLU A 73 6.315 2.509 -10.542 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.002 0.995 -9.371 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.702 1.941 -10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.540 -0.421 -10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.244 -0.205 -11.615 1.00 0.00 H new ATOM 1097 N ASP A 74 4.881 4.580 -10.767 1.00 0.00 N ATOM 1098 CA ASP A 74 4.296 5.916 -10.782 1.00 0.00 C ATOM 1099 C ASP A 74 2.974 5.922 -11.543 1.00 0.00 C ATOM 1100 O ASP A 74 2.903 5.479 -12.690 1.00 0.00 O ATOM 1101 CB ASP A 74 5.267 6.914 -11.414 1.00 0.00 C ATOM 1102 CG ASP A 74 6.455 7.211 -10.519 1.00 0.00 C ATOM 1103 OD1 ASP A 74 6.290 7.176 -9.282 1.00 0.00 O ATOM 1104 OD2 ASP A 74 7.550 7.479 -11.057 1.00 0.00 O ATOM 0 H ASP A 74 5.283 4.286 -11.657 1.00 0.00 H new ATOM 0 HA ASP A 74 4.102 6.212 -9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.622 6.518 -12.365 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.739 7.842 -11.632 1.00 0.00 H new ATOM 1109 N THR A 75 1.927 6.427 -10.897 1.00 0.00 N ATOM 1110 CA THR A 75 0.607 6.490 -11.512 1.00 0.00 C ATOM 1111 C THR A 75 -0.066 7.829 -11.234 1.00 0.00 C ATOM 1112 O THR A 75 0.115 8.418 -10.168 1.00 0.00 O ATOM 1113 CB THR A 75 -0.303 5.355 -11.004 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.565 5.401 -11.678 1.00 0.00 O ATOM 1115 CG2 THR A 75 -0.519 5.466 -9.503 1.00 0.00 C ATOM 0 H THR A 75 1.968 6.798 -9.948 1.00 0.00 H new ATOM 0 HA THR A 75 0.753 6.376 -12.586 1.00 0.00 H new ATOM 0 HB THR A 75 0.186 4.404 -11.215 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.137 4.676 -11.351 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.164 4.654 -9.167 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.441 5.401 -8.991 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.989 6.422 -9.273 1.00 0.00 H new ATOM 1123 N THR A 76 -0.845 8.306 -12.200 1.00 0.00 N ATOM 1124 CA THR A 76 -1.546 9.576 -12.059 1.00 0.00 C ATOM 1125 C THR A 76 -2.987 9.362 -11.611 1.00 0.00 C ATOM 1126 O THR A 76 -3.810 10.275 -11.678 1.00 0.00 O ATOM 1127 CB THR A 76 -1.543 10.368 -13.380 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.927 9.515 -14.464 1.00 0.00 O ATOM 1129 CG2 THR A 76 -0.168 10.958 -13.655 1.00 0.00 C ATOM 0 H THR A 76 -1.006 7.832 -13.088 1.00 0.00 H new ATOM 0 HA THR A 76 -1.014 10.148 -11.299 1.00 0.00 H new ATOM 0 HB THR A 76 -2.259 11.184 -13.289 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.924 10.027 -15.300 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.191 11.513 -14.593 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.109 11.630 -12.843 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.565 10.154 -13.727 1.00 0.00 H new ATOM 1137 N SER A 77 -3.286 8.151 -11.152 1.00 0.00 N ATOM 1138 CA SER A 77 -4.630 7.817 -10.695 1.00 0.00 C ATOM 1139 C SER A 77 -4.613 7.383 -9.232 1.00 0.00 C ATOM 1140 O SER A 77 -3.554 7.115 -8.664 1.00 0.00 O ATOM 1141 CB SER A 77 -5.225 6.706 -11.562 1.00 0.00 C ATOM 1142 OG SER A 77 -5.399 7.141 -12.900 1.00 0.00 O ATOM 0 H SER A 77 -2.616 7.385 -11.087 1.00 0.00 H new ATOM 0 HA SER A 77 -5.250 8.709 -10.785 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.570 5.835 -11.542 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.185 6.393 -11.150 1.00 0.00 H new ATOM 0 HG SER A 77 -5.779 6.412 -13.434 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.795 7.315 -8.629 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.919 6.913 -7.232 1.00 0.00 C ATOM 1150 C LEU A 78 -6.101 5.403 -7.114 1.00 0.00 C ATOM 1151 O LEU A 78 -6.747 4.916 -6.187 1.00 0.00 O ATOM 1152 CB LEU A 78 -7.098 7.633 -6.577 1.00 0.00 C ATOM 1153 CG LEU A 78 -7.039 9.161 -6.582 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -8.429 9.749 -6.394 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -6.095 9.662 -5.499 1.00 0.00 C ATOM 0 H LEU A 78 -6.681 7.533 -9.085 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.000 7.191 -6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -8.013 7.323 -7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.175 7.296 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.656 9.488 -7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.368 10.837 -6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.077 9.418 -7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.840 9.414 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.066 10.751 -5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.448 9.325 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.094 9.269 -5.678 1.00 0.00 H new ATOM 1167 N SER A 79 -5.524 4.667 -8.059 1.00 0.00 N ATOM 1168 CA SER A 79 -5.623 3.212 -8.062 1.00 0.00 C ATOM 1169 C SER A 79 -4.591 2.599 -9.003 1.00 0.00 C ATOM 1170 O SER A 79 -4.472 3.002 -10.160 1.00 0.00 O ATOM 1171 CB SER A 79 -7.030 2.777 -8.476 1.00 0.00 C ATOM 1172 OG SER A 79 -7.340 3.231 -9.782 1.00 0.00 O ATOM 0 H SER A 79 -4.983 5.054 -8.832 1.00 0.00 H new ATOM 0 HA SER A 79 -5.423 2.857 -7.051 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.104 1.690 -8.438 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.759 3.171 -7.768 1.00 0.00 H new ATOM 0 HG SER A 79 -6.510 3.422 -10.267 1.00 0.00 H new ATOM 1178 N TYR A 80 -3.846 1.621 -8.498 1.00 0.00 N ATOM 1179 CA TYR A 80 -2.822 0.953 -9.291 1.00 0.00 C ATOM 1180 C TYR A 80 -3.070 -0.551 -9.346 1.00 0.00 C ATOM 1181 O TYR A 80 -3.523 -1.155 -8.372 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.435 1.231 -8.710 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.331 0.435 -9.370 1.00 0.00 C ATOM 1184 CD1 TYR A 80 0.326 0.921 -10.493 1.00 0.00 C ATOM 1185 CD2 TYR A 80 0.054 -0.803 -8.870 1.00 0.00 C ATOM 1186 CE1 TYR A 80 1.334 0.197 -11.100 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.062 -1.533 -9.469 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.699 -1.029 -10.584 1.00 0.00 C ATOM 1189 OH TYR A 80 2.703 -1.754 -11.184 1.00 0.00 O ATOM 0 H TYR A 80 -3.933 1.274 -7.543 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.870 1.348 -10.306 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.215 2.294 -8.810 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.445 1.007 -7.643 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.044 1.881 -10.899 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.443 -1.201 -7.998 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.833 0.589 -11.974 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.350 -2.493 -9.067 1.00 0.00 H new ATOM 0 HH TYR A 80 3.173 -2.285 -10.507 1.00 0.00 H new ATOM 1199 N THR A 81 -2.771 -1.153 -10.494 1.00 0.00 N ATOM 1200 CA THR A 81 -2.961 -2.586 -10.678 1.00 0.00 C ATOM 1201 C THR A 81 -1.624 -3.316 -10.726 1.00 0.00 C ATOM 1202 O THR A 81 -0.912 -3.261 -11.728 1.00 0.00 O ATOM 1203 CB THR A 81 -3.745 -2.887 -11.969 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.829 -1.962 -12.111 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.283 -4.310 -11.957 1.00 0.00 C ATOM 0 H THR A 81 -2.396 -0.669 -11.310 1.00 0.00 H new ATOM 0 HA THR A 81 -3.535 -2.942 -9.822 1.00 0.00 H new ATOM 0 HB THR A 81 -3.065 -2.781 -12.814 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.321 -2.159 -12.935 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.833 -4.499 -12.879 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.453 -5.012 -11.879 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.949 -4.440 -11.104 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.290 -4.002 -9.638 1.00 0.00 N ATOM 1214 CA ALA A 82 -0.040 -4.746 -9.557 1.00 0.00 C ATOM 1215 C ALA A 82 -0.133 -6.061 -10.323 1.00 0.00 C ATOM 1216 O ALA A 82 -0.664 -7.051 -9.817 1.00 0.00 O ATOM 1217 CB ALA A 82 0.328 -5.004 -8.104 1.00 0.00 C ATOM 0 H ALA A 82 -1.869 -4.058 -8.800 1.00 0.00 H new ATOM 0 HA ALA A 82 0.743 -4.143 -10.017 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.264 -5.561 -8.059 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.446 -4.053 -7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.462 -5.583 -7.626 1.00 0.00 H new ATOM 1223 N THR A 83 0.385 -6.066 -11.548 1.00 0.00 N ATOM 1224 CA THR A 83 0.358 -7.259 -12.385 1.00 0.00 C ATOM 1225 C THR A 83 1.690 -7.997 -12.333 1.00 0.00 C ATOM 1226 O THR A 83 2.753 -7.378 -12.298 1.00 0.00 O ATOM 1227 CB THR A 83 0.034 -6.910 -13.850 1.00 0.00 C ATOM 1228 OG1 THR A 83 1.040 -6.041 -14.381 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.329 -6.243 -13.958 1.00 0.00 C ATOM 0 H THR A 83 0.828 -5.256 -11.982 1.00 0.00 H new ATOM 0 HA THR A 83 -0.427 -7.904 -11.991 1.00 0.00 H new ATOM 0 HB THR A 83 0.015 -7.836 -14.425 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.827 -5.825 -15.313 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.536 -6.006 -15.001 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.096 -6.919 -13.580 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.333 -5.325 -13.370 1.00 0.00 H new ATOM 1237 N GLY A 84 1.626 -9.325 -12.329 1.00 0.00 N ATOM 1238 CA GLY A 84 2.836 -10.126 -12.282 1.00 0.00 C ATOM 1239 C GLY A 84 3.322 -10.359 -10.865 1.00 0.00 C ATOM 1240 O GLY A 84 4.500 -10.158 -10.564 1.00 0.00 O ATOM 0 H GLY A 84 0.758 -9.861 -12.357 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.651 -11.087 -12.762 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.619 -9.629 -12.855 1.00 0.00 H new ATOM 1244 N LEU A 85 2.415 -10.781 -9.992 1.00 0.00 N ATOM 1245 CA LEU A 85 2.757 -11.040 -8.598 1.00 0.00 C ATOM 1246 C LEU A 85 2.791 -12.538 -8.314 1.00 0.00 C ATOM 1247 O LEU A 85 2.530 -13.355 -9.198 1.00 0.00 O ATOM 1248 CB LEU A 85 1.752 -10.356 -7.670 1.00 0.00 C ATOM 1249 CG LEU A 85 1.241 -8.988 -8.124 1.00 0.00 C ATOM 1250 CD1 LEU A 85 -0.065 -8.646 -7.425 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.287 -7.914 -7.861 1.00 0.00 C ATOM 0 H LEU A 85 1.437 -10.951 -10.225 1.00 0.00 H new ATOM 0 HA LEU A 85 3.750 -10.632 -8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.895 -11.018 -7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.213 -10.242 -6.689 1.00 0.00 H new ATOM 0 HG LEU A 85 1.054 -9.030 -9.197 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.413 -7.669 -7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.814 -9.400 -7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.094 -8.623 -6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.906 -6.947 -8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.507 -7.873 -6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.198 -8.151 -8.410 1.00 0.00 H new ATOM 1263 N LYS A 86 3.111 -12.894 -7.075 1.00 0.00 N ATOM 1264 CA LYS A 86 3.175 -14.294 -6.672 1.00 0.00 C ATOM 1265 C LYS A 86 1.849 -14.749 -6.072 1.00 0.00 C ATOM 1266 O LYS A 86 1.232 -14.051 -5.266 1.00 0.00 O ATOM 1267 CB LYS A 86 4.303 -14.503 -5.660 1.00 0.00 C ATOM 1268 CG LYS A 86 4.505 -15.956 -5.265 1.00 0.00 C ATOM 1269 CD LYS A 86 5.455 -16.088 -4.087 1.00 0.00 C ATOM 1270 CE LYS A 86 6.875 -15.701 -4.471 1.00 0.00 C ATOM 1271 NZ LYS A 86 7.555 -16.780 -5.240 1.00 0.00 N ATOM 0 H LYS A 86 3.330 -12.231 -6.331 1.00 0.00 H new ATOM 0 HA LYS A 86 3.376 -14.893 -7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.232 -14.117 -6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.090 -13.918 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.543 -16.401 -5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.899 -16.513 -6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.112 -15.454 -3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.443 -17.115 -3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.854 -14.788 -5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.448 -15.481 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.520 -16.478 -5.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.598 -17.644 -4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.023 -16.973 -6.112 1.00 0.00 H new ATOM 1285 N PRO A 87 1.397 -15.947 -6.471 1.00 0.00 N ATOM 1286 CA PRO A 87 0.140 -16.522 -5.983 1.00 0.00 C ATOM 1287 C PRO A 87 0.221 -16.932 -4.517 1.00 0.00 C ATOM 1288 O PRO A 87 1.299 -17.232 -4.005 1.00 0.00 O ATOM 1289 CB PRO A 87 -0.055 -17.753 -6.872 1.00 0.00 C ATOM 1290 CG PRO A 87 1.319 -18.125 -7.312 1.00 0.00 C ATOM 1291 CD PRO A 87 2.080 -16.833 -7.429 1.00 0.00 C ATOM 0 HA PRO A 87 -0.682 -15.808 -6.033 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.529 -18.567 -6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.696 -17.528 -7.724 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.792 -18.793 -6.592 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.294 -18.651 -8.266 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.133 -16.962 -7.177 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.042 -16.434 -8.443 1.00 0.00 H new ATOM 1299 N ASN A 88 -0.926 -16.942 -3.846 1.00 0.00 N ATOM 1300 CA ASN A 88 -0.985 -17.316 -2.437 1.00 0.00 C ATOM 1301 C ASN A 88 0.100 -16.598 -1.639 1.00 0.00 C ATOM 1302 O ASN A 88 0.656 -17.151 -0.690 1.00 0.00 O ATOM 1303 CB ASN A 88 -0.830 -18.830 -2.282 1.00 0.00 C ATOM 1304 CG ASN A 88 0.251 -19.396 -3.183 1.00 0.00 C ATOM 1305 OD1 ASN A 88 0.081 -19.477 -4.399 1.00 0.00 O ATOM 1306 ND2 ASN A 88 1.370 -19.791 -2.587 1.00 0.00 N ATOM 0 H ASN A 88 -1.827 -16.695 -4.255 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.958 -17.016 -2.047 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.593 -19.064 -1.244 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.779 -19.315 -2.509 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.133 -20.181 -3.141 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.467 -19.705 -1.575 1.00 0.00 H new ATOM 1313 N THR A 89 0.395 -15.362 -2.030 1.00 0.00 N ATOM 1314 CA THR A 89 1.412 -14.569 -1.352 1.00 0.00 C ATOM 1315 C THR A 89 0.964 -13.121 -1.191 1.00 0.00 C ATOM 1316 O THR A 89 0.618 -12.457 -2.168 1.00 0.00 O ATOM 1317 CB THR A 89 2.749 -14.598 -2.117 1.00 0.00 C ATOM 1318 OG1 THR A 89 3.009 -15.921 -2.598 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.894 -14.144 -1.224 1.00 0.00 C ATOM 0 H THR A 89 -0.056 -14.889 -2.813 1.00 0.00 H new ATOM 0 HA THR A 89 1.555 -15.014 -0.367 1.00 0.00 H new ATOM 0 HB THR A 89 2.674 -13.913 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.368 -16.144 -3.305 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.827 -14.173 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.707 -13.126 -0.883 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.969 -14.808 -0.362 1.00 0.00 H new ATOM 1327 N MET A 90 0.973 -12.638 0.047 1.00 0.00 N ATOM 1328 CA MET A 90 0.568 -11.266 0.334 1.00 0.00 C ATOM 1329 C MET A 90 1.786 -10.365 0.506 1.00 0.00 C ATOM 1330 O MET A 90 2.862 -10.825 0.888 1.00 0.00 O ATOM 1331 CB MET A 90 -0.296 -11.221 1.596 1.00 0.00 C ATOM 1332 CG MET A 90 -0.707 -9.815 2.000 1.00 0.00 C ATOM 1333 SD MET A 90 -1.463 -9.756 3.637 1.00 0.00 S ATOM 1334 CE MET A 90 -0.142 -10.427 4.643 1.00 0.00 C ATOM 0 H MET A 90 1.256 -13.175 0.867 1.00 0.00 H new ATOM 0 HA MET A 90 -0.016 -10.901 -0.511 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.192 -11.821 1.435 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.252 -11.681 2.418 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.169 -9.166 1.985 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.409 -9.420 1.265 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.224 -10.037 5.658 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.217 -11.514 4.665 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.820 -10.138 4.220 1.00 0.00 H new ATOM 1344 N TYR A 91 1.610 -9.079 0.220 1.00 0.00 N ATOM 1345 CA TYR A 91 2.696 -8.114 0.340 1.00 0.00 C ATOM 1346 C TYR A 91 2.202 -6.813 0.966 1.00 0.00 C ATOM 1347 O TYR A 91 1.031 -6.689 1.321 1.00 0.00 O ATOM 1348 CB TYR A 91 3.310 -7.832 -1.032 1.00 0.00 C ATOM 1349 CG TYR A 91 3.063 -8.929 -2.043 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.576 -10.206 -1.850 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.319 -8.689 -3.191 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.354 -11.212 -2.771 1.00 0.00 C ATOM 1353 CE2 TYR A 91 2.091 -9.689 -4.116 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.610 -10.948 -3.902 1.00 0.00 C ATOM 1355 OH TYR A 91 2.386 -11.946 -4.822 1.00 0.00 O ATOM 0 H TYR A 91 0.726 -8.681 -0.096 1.00 0.00 H new ATOM 0 HA TYR A 91 3.458 -8.543 0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.904 -6.897 -1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.385 -7.690 -0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.158 -10.416 -0.965 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.912 -7.704 -3.363 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.761 -12.199 -2.606 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.509 -9.486 -5.003 1.00 0.00 H new ATOM 0 HH TYR A 91 1.841 -12.651 -4.414 1.00 0.00 H new ATOM 1365 N GLU A 92 3.105 -5.846 1.096 1.00 0.00 N ATOM 1366 CA GLU A 92 2.762 -4.555 1.679 1.00 0.00 C ATOM 1367 C GLU A 92 2.610 -3.492 0.595 1.00 0.00 C ATOM 1368 O GLU A 92 3.515 -3.279 -0.213 1.00 0.00 O ATOM 1369 CB GLU A 92 3.831 -4.124 2.685 1.00 0.00 C ATOM 1370 CG GLU A 92 4.008 -2.617 2.777 1.00 0.00 C ATOM 1371 CD GLU A 92 4.625 -2.181 4.092 1.00 0.00 C ATOM 1372 OE1 GLU A 92 4.376 -2.853 5.115 1.00 0.00 O ATOM 1373 OE2 GLU A 92 5.357 -1.170 4.098 1.00 0.00 O ATOM 0 H GLU A 92 4.079 -5.933 0.805 1.00 0.00 H new ATOM 0 HA GLU A 92 1.809 -4.661 2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.569 -4.511 3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.783 -4.577 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.638 -2.278 1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.039 -2.133 2.657 1.00 0.00 H new ATOM 1380 N PHE A 93 1.459 -2.827 0.583 1.00 0.00 N ATOM 1381 CA PHE A 93 1.187 -1.787 -0.403 1.00 0.00 C ATOM 1382 C PHE A 93 1.036 -0.426 0.271 1.00 0.00 C ATOM 1383 O PHE A 93 0.457 -0.317 1.351 1.00 0.00 O ATOM 1384 CB PHE A 93 -0.081 -2.122 -1.192 1.00 0.00 C ATOM 1385 CG PHE A 93 0.062 -3.331 -2.071 1.00 0.00 C ATOM 1386 CD1 PHE A 93 0.013 -4.606 -1.531 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.246 -3.193 -3.437 1.00 0.00 C ATOM 1388 CE1 PHE A 93 0.145 -5.720 -2.338 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.378 -4.303 -4.249 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.327 -5.569 -3.699 1.00 0.00 C ATOM 0 H PHE A 93 0.700 -2.990 1.245 1.00 0.00 H new ATOM 0 HA PHE A 93 2.032 -1.741 -1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.901 -2.286 -0.493 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.353 -1.265 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.130 -4.731 -0.468 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.287 -2.206 -3.873 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.106 -6.709 -1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.521 -4.181 -5.313 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.429 -6.439 -4.331 1.00 0.00 H new ATOM 1400 N SER A 94 1.563 0.609 -0.376 1.00 0.00 N ATOM 1401 CA SER A 94 1.491 1.963 0.161 1.00 0.00 C ATOM 1402 C SER A 94 1.556 2.996 -0.960 1.00 0.00 C ATOM 1403 O SER A 94 2.040 2.711 -2.055 1.00 0.00 O ATOM 1404 CB SER A 94 2.629 2.200 1.155 1.00 0.00 C ATOM 1405 OG SER A 94 2.237 3.107 2.171 1.00 0.00 O ATOM 0 H SER A 94 2.044 0.536 -1.272 1.00 0.00 H new ATOM 0 HA SER A 94 0.538 2.073 0.678 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.927 1.253 1.604 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.500 2.592 0.629 1.00 0.00 H new ATOM 0 HG SER A 94 1.637 2.654 2.800 1.00 0.00 H new ATOM 1411 N VAL A 95 1.064 4.198 -0.677 1.00 0.00 N ATOM 1412 CA VAL A 95 1.067 5.275 -1.659 1.00 0.00 C ATOM 1413 C VAL A 95 1.683 6.544 -1.082 1.00 0.00 C ATOM 1414 O VAL A 95 1.688 6.748 0.132 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.358 5.589 -2.152 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.320 6.587 -3.299 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.070 4.311 -2.570 1.00 0.00 C ATOM 0 H VAL A 95 0.658 4.450 0.224 1.00 0.00 H new ATOM 0 HA VAL A 95 1.669 4.933 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.917 6.038 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.336 6.796 -3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.148 7.512 -2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.255 6.170 -4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.075 4.551 -2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.514 3.832 -3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.131 3.633 -1.718 1.00 0.00 H new ATOM 1427 N MET A 96 2.203 7.396 -1.960 1.00 0.00 N ATOM 1428 CA MET A 96 2.821 8.647 -1.537 1.00 0.00 C ATOM 1429 C MET A 96 2.648 9.726 -2.601 1.00 0.00 C ATOM 1430 O MET A 96 2.010 9.501 -3.630 1.00 0.00 O ATOM 1431 CB MET A 96 4.308 8.434 -1.247 1.00 0.00 C ATOM 1432 CG MET A 96 5.022 7.613 -2.308 1.00 0.00 C ATOM 1433 SD MET A 96 6.815 7.644 -2.121 1.00 0.00 S ATOM 1434 CE MET A 96 7.160 9.371 -2.447 1.00 0.00 C ATOM 0 H MET A 96 2.209 7.243 -2.968 1.00 0.00 H new ATOM 0 HA MET A 96 2.324 8.978 -0.625 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.796 9.405 -1.161 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.414 7.938 -0.282 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.673 6.581 -2.259 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.757 7.993 -3.295 1.00 0.00 H new ATOM 0 HE1 MET A 96 8.145 9.465 -2.904 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.406 9.771 -3.124 1.00 0.00 H new ATOM 0 HE3 MET A 96 7.140 9.929 -1.511 1.00 0.00 H new ATOM 1444 N VAL A 97 3.221 10.899 -2.348 1.00 0.00 N ATOM 1445 CA VAL A 97 3.130 12.012 -3.284 1.00 0.00 C ATOM 1446 C VAL A 97 4.479 12.705 -3.447 1.00 0.00 C ATOM 1447 O VAL A 97 5.260 12.798 -2.499 1.00 0.00 O ATOM 1448 CB VAL A 97 2.086 13.047 -2.827 1.00 0.00 C ATOM 1449 CG1 VAL A 97 2.470 13.633 -1.477 1.00 0.00 C ATOM 1450 CG2 VAL A 97 1.932 14.145 -3.869 1.00 0.00 C ATOM 0 H VAL A 97 3.753 11.102 -1.502 1.00 0.00 H new ATOM 0 HA VAL A 97 2.821 11.594 -4.242 1.00 0.00 H new ATOM 0 HB VAL A 97 1.125 12.544 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.720 14.362 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.524 12.835 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.441 14.122 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.190 14.868 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.889 14.647 -4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.607 13.708 -4.813 1.00 0.00 H new ATOM 1460 N THR A 98 4.747 13.191 -4.655 1.00 0.00 N ATOM 1461 CA THR A 98 6.001 13.875 -4.942 1.00 0.00 C ATOM 1462 C THR A 98 5.754 15.208 -5.639 1.00 0.00 C ATOM 1463 O THR A 98 5.252 15.249 -6.762 1.00 0.00 O ATOM 1464 CB THR A 98 6.923 13.011 -5.824 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.281 11.811 -5.129 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.181 13.777 -6.204 1.00 0.00 C ATOM 0 H THR A 98 4.112 13.123 -5.450 1.00 0.00 H new ATOM 0 HA THR A 98 6.489 14.054 -3.984 1.00 0.00 H new ATOM 0 HB THR A 98 6.383 12.756 -6.736 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.866 11.266 -5.696 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.816 13.147 -6.826 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.907 14.675 -6.757 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.722 14.058 -5.301 1.00 0.00 H new ATOM 1474 N LYS A 99 6.109 16.297 -4.966 1.00 0.00 N ATOM 1475 CA LYS A 99 5.928 17.633 -5.521 1.00 0.00 C ATOM 1476 C LYS A 99 7.237 18.416 -5.494 1.00 0.00 C ATOM 1477 O LYS A 99 8.184 18.035 -4.808 1.00 0.00 O ATOM 1478 CB LYS A 99 4.852 18.390 -4.740 1.00 0.00 C ATOM 1479 CG LYS A 99 4.102 19.414 -5.574 1.00 0.00 C ATOM 1480 CD LYS A 99 2.796 19.823 -4.913 1.00 0.00 C ATOM 1481 CE LYS A 99 3.034 20.753 -3.734 1.00 0.00 C ATOM 1482 NZ LYS A 99 1.887 20.751 -2.785 1.00 0.00 N ATOM 0 H LYS A 99 6.524 16.281 -4.034 1.00 0.00 H new ATOM 0 HA LYS A 99 5.610 17.528 -6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.139 17.673 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.317 18.894 -3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.728 20.294 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.897 19.001 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.156 20.317 -5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.265 18.934 -4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.940 20.449 -3.209 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.201 21.766 -4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.088 21.397 -1.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.027 21.065 -3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.743 19.789 -2.417 1.00 0.00 H new ATOM 1496 N ASN A 100 7.281 19.512 -6.244 1.00 0.00 N ATOM 1497 CA ASN A 100 8.474 20.349 -6.305 1.00 0.00 C ATOM 1498 C ASN A 100 9.731 19.495 -6.436 1.00 0.00 C ATOM 1499 O ASN A 100 10.794 19.855 -5.929 1.00 0.00 O ATOM 1500 CB ASN A 100 8.569 21.228 -5.057 1.00 0.00 C ATOM 1501 CG ASN A 100 7.867 22.561 -5.234 1.00 0.00 C ATOM 1502 OD1 ASN A 100 7.620 23.001 -6.357 1.00 0.00 O ATOM 1503 ND2 ASN A 100 7.542 23.211 -4.122 1.00 0.00 N ATOM 0 H ASN A 100 6.505 19.841 -6.818 1.00 0.00 H new ATOM 0 HA ASN A 100 8.396 20.987 -7.186 1.00 0.00 H new ATOM 0 HB2 ASN A 100 8.132 20.700 -4.210 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.618 21.402 -4.817 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.068 24.113 -4.178 1.00 0.00 H new ATOM 0 HD22 ASN A 100 7.766 22.809 -3.212 1.00 0.00 H new ATOM 1510 N ARG A 101 9.603 18.363 -7.121 1.00 0.00 N ATOM 1511 CA ARG A 101 10.728 17.458 -7.318 1.00 0.00 C ATOM 1512 C ARG A 101 11.226 16.910 -5.984 1.00 0.00 C ATOM 1513 O ARG A 101 12.431 16.826 -5.747 1.00 0.00 O ATOM 1514 CB ARG A 101 11.867 18.176 -8.044 1.00 0.00 C ATOM 1515 CG ARG A 101 13.134 17.345 -8.162 1.00 0.00 C ATOM 1516 CD ARG A 101 13.900 17.675 -9.434 1.00 0.00 C ATOM 1517 NE ARG A 101 14.931 16.683 -9.725 1.00 0.00 N ATOM 1518 CZ ARG A 101 15.896 16.866 -10.619 1.00 0.00 C ATOM 1519 NH1 ARG A 101 15.962 17.998 -11.306 1.00 0.00 N ATOM 1520 NH2 ARG A 101 16.798 15.915 -10.828 1.00 0.00 N ATOM 0 H ARG A 101 8.731 18.051 -7.549 1.00 0.00 H new ATOM 0 HA ARG A 101 10.386 16.623 -7.929 1.00 0.00 H new ATOM 0 HB2 ARG A 101 11.531 18.455 -9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 101 12.097 19.101 -7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 101 13.770 17.525 -7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 101 12.878 16.286 -8.155 1.00 0.00 H new ATOM 0 HD2 ARG A 101 13.205 17.731 -10.272 1.00 0.00 H new ATOM 0 HD3 ARG A 101 14.360 18.658 -9.335 1.00 0.00 H new ATOM 0 HE ARG A 101 14.909 15.801 -9.214 1.00 0.00 H new ATOM 0 HH11 ARG A 101 15.271 18.731 -11.149 1.00 0.00 H new ATOM 0 HH12 ARG A 101 16.704 18.136 -11.992 1.00 0.00 H new ATOM 0 HH21 ARG A 101 16.750 15.043 -10.302 1.00 0.00 H new ATOM 0 HH22 ARG A 101 17.539 16.057 -11.515 1.00 0.00 H new ATOM 1534 N ARG A 102 10.290 16.539 -5.116 1.00 0.00 N ATOM 1535 CA ARG A 102 10.634 16.002 -3.805 1.00 0.00 C ATOM 1536 C ARG A 102 9.601 14.975 -3.351 1.00 0.00 C ATOM 1537 O ARG A 102 8.438 15.031 -3.750 1.00 0.00 O ATOM 1538 CB ARG A 102 10.733 17.131 -2.778 1.00 0.00 C ATOM 1539 CG ARG A 102 9.441 17.377 -2.017 1.00 0.00 C ATOM 1540 CD ARG A 102 9.635 18.397 -0.905 1.00 0.00 C ATOM 1541 NE ARG A 102 10.259 17.807 0.276 1.00 0.00 N ATOM 1542 CZ ARG A 102 10.800 18.522 1.256 1.00 0.00 C ATOM 1543 NH1 ARG A 102 10.793 19.847 1.196 1.00 0.00 N ATOM 1544 NH2 ARG A 102 11.350 17.913 2.298 1.00 0.00 N ATOM 0 H ARG A 102 9.288 16.601 -5.297 1.00 0.00 H new ATOM 0 HA ARG A 102 11.602 15.507 -3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 102 11.524 16.895 -2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.025 18.049 -3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.673 17.730 -2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 102 9.083 16.439 -1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 102 10.253 19.218 -1.270 1.00 0.00 H new ATOM 0 HD3 ARG A 102 8.670 18.822 -0.631 1.00 0.00 H new ATOM 0 HE ARG A 102 10.281 16.790 0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.372 20.319 0.396 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.209 20.394 1.950 1.00 0.00 H new ATOM 0 HH21 ARG A 102 11.358 16.894 2.348 1.00 0.00 H new ATOM 0 HH22 ARG A 102 11.765 18.463 3.050 1.00 0.00 H new ATOM 1558 N SER A 103 10.034 14.038 -2.514 1.00 0.00 N ATOM 1559 CA SER A 103 9.148 12.996 -2.008 1.00 0.00 C ATOM 1560 C SER A 103 8.728 13.290 -0.571 1.00 0.00 C ATOM 1561 O SER A 103 9.523 13.779 0.232 1.00 0.00 O ATOM 1562 CB SER A 103 9.836 11.632 -2.081 1.00 0.00 C ATOM 1563 OG SER A 103 11.180 11.714 -1.639 1.00 0.00 O ATOM 0 H SER A 103 10.993 13.979 -2.172 1.00 0.00 H new ATOM 0 HA SER A 103 8.255 12.978 -2.633 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.292 10.913 -1.468 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.809 11.262 -3.106 1.00 0.00 H new ATOM 0 HG SER A 103 11.597 10.829 -1.694 1.00 0.00 H new ATOM 1569 N SER A 104 7.473 12.987 -0.254 1.00 0.00 N ATOM 1570 CA SER A 104 6.945 13.222 1.085 1.00 0.00 C ATOM 1571 C SER A 104 7.092 11.976 1.953 1.00 0.00 C ATOM 1572 O SER A 104 8.034 11.859 2.738 1.00 0.00 O ATOM 1573 CB SER A 104 5.474 13.634 1.010 1.00 0.00 C ATOM 1574 OG SER A 104 4.691 12.623 0.400 1.00 0.00 O ATOM 0 H SER A 104 6.803 12.578 -0.906 1.00 0.00 H new ATOM 0 HA SER A 104 7.519 14.030 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.098 13.834 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.381 14.561 0.444 1.00 0.00 H new ATOM 0 HG SER A 104 4.839 12.635 -0.569 1.00 0.00 H new ATOM 1580 N THR A 105 6.154 11.046 1.807 1.00 0.00 N ATOM 1581 CA THR A 105 6.177 9.809 2.577 1.00 0.00 C ATOM 1582 C THR A 105 5.039 8.882 2.164 1.00 0.00 C ATOM 1583 O THR A 105 4.151 9.274 1.407 1.00 0.00 O ATOM 1584 CB THR A 105 6.074 10.087 4.089 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.425 8.911 4.828 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.667 10.526 4.463 1.00 0.00 C ATOM 0 H THR A 105 5.368 11.126 1.162 1.00 0.00 H new ATOM 0 HA THR A 105 7.131 9.324 2.368 1.00 0.00 H new ATOM 0 HB THR A 105 6.766 10.891 4.337 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.359 9.096 5.788 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.618 10.717 5.535 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.414 11.437 3.921 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.959 9.740 4.202 1.00 0.00 H new ATOM 1594 N TRP A 106 5.072 7.653 2.665 1.00 0.00 N ATOM 1595 CA TRP A 106 4.042 6.670 2.347 1.00 0.00 C ATOM 1596 C TRP A 106 2.944 6.672 3.404 1.00 0.00 C ATOM 1597 O TRP A 106 3.204 6.916 4.582 1.00 0.00 O ATOM 1598 CB TRP A 106 4.657 5.274 2.235 1.00 0.00 C ATOM 1599 CG TRP A 106 5.801 5.205 1.269 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.114 5.473 1.533 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.734 4.846 -0.115 1.00 0.00 C ATOM 1602 NE1 TRP A 106 7.867 5.303 0.397 1.00 0.00 N ATOM 1603 CE2 TRP A 106 7.044 4.917 -0.628 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.695 4.470 -0.970 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.339 4.627 -1.958 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 4.989 4.182 -2.290 1.00 0.00 C ATOM 1607 CH2 TRP A 106 6.302 4.261 -2.773 1.00 0.00 C ATOM 0 H TRP A 106 5.800 7.313 3.293 1.00 0.00 H new ATOM 0 HA TRP A 106 3.599 6.942 1.389 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.002 4.957 3.219 1.00 0.00 H new ATOM 0 HB3 TRP A 106 3.886 4.569 1.925 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.503 5.774 2.494 1.00 0.00 H new ATOM 0 HE1 TRP A 106 8.875 5.442 0.328 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.680 4.405 -0.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.350 4.689 -2.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 4.193 3.891 -2.960 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.500 4.028 -3.809 1.00 0.00 H new ATOM 1618 N SER A 107 1.716 6.398 2.976 1.00 0.00 N ATOM 1619 CA SER A 107 0.577 6.372 3.887 1.00 0.00 C ATOM 1620 C SER A 107 0.363 4.969 4.449 1.00 0.00 C ATOM 1621 O SER A 107 1.146 4.057 4.184 1.00 0.00 O ATOM 1622 CB SER A 107 -0.689 6.843 3.168 1.00 0.00 C ATOM 1623 OG SER A 107 -0.959 6.041 2.032 1.00 0.00 O ATOM 0 H SER A 107 1.484 6.191 2.005 1.00 0.00 H new ATOM 0 HA SER A 107 0.790 7.048 4.715 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.536 6.805 3.853 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.572 7.883 2.863 1.00 0.00 H new ATOM 0 HG SER A 107 -0.306 5.311 1.984 1.00 0.00 H new ATOM 1629 N MET A 108 -0.702 4.807 5.227 1.00 0.00 N ATOM 1630 CA MET A 108 -1.020 3.516 5.827 1.00 0.00 C ATOM 1631 C MET A 108 -0.871 2.391 4.807 1.00 0.00 C ATOM 1632 O MET A 108 -1.322 2.509 3.667 1.00 0.00 O ATOM 1633 CB MET A 108 -2.443 3.527 6.388 1.00 0.00 C ATOM 1634 CG MET A 108 -3.491 3.963 5.377 1.00 0.00 C ATOM 1635 SD MET A 108 -5.175 3.748 5.985 1.00 0.00 S ATOM 1636 CE MET A 108 -5.268 1.963 6.099 1.00 0.00 C ATOM 0 H MET A 108 -1.359 5.553 5.457 1.00 0.00 H new ATOM 0 HA MET A 108 -0.318 3.339 6.642 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.691 2.528 6.748 1.00 0.00 H new ATOM 0 HB3 MET A 108 -2.480 4.195 7.249 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.332 5.011 5.123 1.00 0.00 H new ATOM 0 HG3 MET A 108 -3.365 3.390 4.458 1.00 0.00 H new ATOM 0 HE1 MET A 108 -6.312 1.651 6.075 1.00 0.00 H new ATOM 0 HE2 MET A 108 -4.736 1.517 5.259 1.00 0.00 H new ATOM 0 HE3 MET A 108 -4.812 1.634 7.033 1.00 0.00 H new ATOM 1646 N THR A 109 -0.235 1.301 5.224 1.00 0.00 N ATOM 1647 CA THR A 109 -0.026 0.156 4.346 1.00 0.00 C ATOM 1648 C THR A 109 -1.282 -0.704 4.255 1.00 0.00 C ATOM 1649 O THR A 109 -1.989 -0.892 5.243 1.00 0.00 O ATOM 1650 CB THR A 109 1.146 -0.718 4.833 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.391 -0.069 4.550 1.00 0.00 O ATOM 1652 CG2 THR A 109 1.117 -2.084 4.164 1.00 0.00 C ATOM 0 H THR A 109 0.144 1.187 6.164 1.00 0.00 H new ATOM 0 HA THR A 109 0.211 0.553 3.359 1.00 0.00 H new ATOM 0 HB THR A 109 1.045 -0.856 5.909 1.00 0.00 H new ATOM 0 HG1 THR A 109 3.004 -0.195 5.304 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.954 -2.683 4.523 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.181 -2.587 4.405 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.196 -1.962 3.084 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.552 -1.223 3.062 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.721 -2.065 2.842 1.00 0.00 C ATOM 1662 C ALA A 110 -2.315 -3.510 2.575 1.00 0.00 C ATOM 1663 O ALA A 110 -1.548 -3.790 1.653 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.550 -1.525 1.685 1.00 0.00 C ATOM 0 H ALA A 110 -0.977 -1.075 2.233 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.326 -2.047 3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.420 -2.163 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.879 -0.512 1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.945 -1.513 0.779 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.832 -4.425 3.388 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.523 -5.843 3.240 1.00 0.00 C ATOM 1672 C HIS A 111 -3.577 -6.543 2.388 1.00 0.00 C ATOM 1673 O HIS A 111 -4.777 -6.366 2.599 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.431 -6.513 4.611 1.00 0.00 C ATOM 1675 CG HIS A 111 -1.113 -6.305 5.292 1.00 0.00 C ATOM 1676 ND1 HIS A 111 0.075 -6.165 4.605 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -0.800 -6.213 6.605 1.00 0.00 C ATOM 1678 CE1 HIS A 111 1.062 -5.997 5.467 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.558 -6.022 6.688 1.00 0.00 N ATOM 0 H HIS A 111 -3.467 -4.210 4.157 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.560 -5.929 2.737 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.225 -6.126 5.249 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.607 -7.583 4.496 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.489 -6.278 7.434 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.104 -5.862 5.216 1.00 0.00 H new ATOM 0 HE2 HIS A 111 1.090 -5.917 7.552 1.00 0.00 H new ATOM 1688 N ALA A 112 -3.121 -7.337 1.425 1.00 0.00 N ATOM 1689 CA ALA A 112 -4.026 -8.065 0.543 1.00 0.00 C ATOM 1690 C ALA A 112 -3.341 -9.287 -0.058 1.00 0.00 C ATOM 1691 O ALA A 112 -2.415 -9.162 -0.861 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.537 -7.149 -0.559 1.00 0.00 C ATOM 0 H ALA A 112 -2.131 -7.493 1.236 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.873 -8.411 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.211 -7.705 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.071 -6.309 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.695 -6.776 -1.142 1.00 0.00 H new ATOM 1698 N THR A 113 -3.800 -10.471 0.336 1.00 0.00 N ATOM 1699 CA THR A 113 -3.231 -11.717 -0.162 1.00 0.00 C ATOM 1700 C THR A 113 -3.848 -12.107 -1.500 1.00 0.00 C ATOM 1701 O THR A 113 -5.028 -11.856 -1.748 1.00 0.00 O ATOM 1702 CB THR A 113 -3.434 -12.868 0.841 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.223 -12.398 2.176 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.483 -14.017 0.545 1.00 0.00 C ATOM 0 H THR A 113 -4.565 -10.593 0.999 1.00 0.00 H new ATOM 0 HA THR A 113 -2.163 -11.546 -0.295 1.00 0.00 H new ATOM 0 HB THR A 113 -4.457 -13.230 0.743 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.356 -13.136 2.807 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.645 -14.818 1.266 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.668 -14.392 -0.462 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.454 -13.665 0.618 1.00 0.00 H new ATOM 1712 N THR A 114 -3.044 -12.725 -2.360 1.00 0.00 N ATOM 1713 CA THR A 114 -3.512 -13.150 -3.673 1.00 0.00 C ATOM 1714 C THR A 114 -4.130 -14.543 -3.612 1.00 0.00 C ATOM 1715 O THR A 114 -3.753 -15.363 -2.775 1.00 0.00 O ATOM 1716 CB THR A 114 -2.367 -13.154 -4.703 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.225 -13.829 -4.165 1.00 0.00 O ATOM 1718 CG2 THR A 114 -1.986 -11.733 -5.093 1.00 0.00 C ATOM 0 H THR A 114 -2.066 -12.942 -2.170 1.00 0.00 H new ATOM 0 HA THR A 114 -4.270 -12.432 -3.986 1.00 0.00 H new ATOM 0 HB THR A 114 -2.711 -13.679 -5.594 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.472 -13.744 -4.786 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.175 -11.760 -5.821 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.850 -11.232 -5.530 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.660 -11.188 -4.207 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.079 -14.803 -4.504 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.750 -16.097 -4.550 1.00 0.00 C ATOM 1728 C TYR A 115 -4.771 -17.205 -4.926 1.00 0.00 C ATOM 1729 O TYR A 115 -4.016 -17.081 -5.889 1.00 0.00 O ATOM 1730 CB TYR A 115 -6.905 -16.060 -5.552 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.858 -14.906 -5.336 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -8.855 -14.974 -4.372 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -7.760 -13.747 -6.097 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -9.728 -13.923 -4.171 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -8.628 -12.690 -5.902 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.610 -12.783 -4.939 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.477 -11.733 -4.742 1.00 0.00 O ATOM 0 H TYR A 115 -5.401 -14.135 -5.205 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.146 -16.308 -3.557 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.498 -16.000 -6.561 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.460 -16.996 -5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -8.949 -15.865 -3.769 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.993 -13.671 -6.853 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -10.498 -13.993 -3.417 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.538 -11.796 -6.501 1.00 0.00 H new ATOM 0 HH TYR A 115 -10.086 -10.913 -5.109 1.00 0.00 H new ATOM 1747 N GLU A 116 -4.792 -18.290 -4.157 1.00 0.00 N ATOM 1748 CA GLU A 116 -3.906 -19.421 -4.408 1.00 0.00 C ATOM 1749 C GLU A 116 -3.987 -19.861 -5.867 1.00 0.00 C ATOM 1750 O GLU A 116 -5.071 -20.123 -6.388 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.264 -20.591 -3.490 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.085 -21.494 -3.167 1.00 0.00 C ATOM 1753 CD GLU A 116 -3.500 -22.933 -2.932 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -3.555 -23.703 -3.913 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.769 -23.289 -1.765 1.00 0.00 O ATOM 0 H GLU A 116 -5.412 -18.409 -3.356 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.884 -19.104 -4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.676 -20.199 -2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.047 -21.185 -3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.368 -21.456 -3.987 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.576 -21.117 -2.280 1.00 0.00 H new ATOM 1762 N ALA A 117 -2.833 -19.940 -6.520 1.00 0.00 N ATOM 1763 CA ALA A 117 -2.772 -20.351 -7.918 1.00 0.00 C ATOM 1764 C ALA A 117 -3.334 -21.756 -8.102 1.00 0.00 C ATOM 1765 O ALA A 117 -3.172 -22.618 -7.238 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.340 -20.281 -8.426 1.00 0.00 C ATOM 0 H ALA A 117 -1.927 -19.725 -6.104 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.386 -19.664 -8.501 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.309 -20.590 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.973 -19.258 -8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.711 -20.944 -7.832 1.00 0.00 H new ATOM 1772 N SER A 118 -3.995 -21.980 -9.233 1.00 0.00 N ATOM 1773 CA SER A 118 -4.585 -23.281 -9.529 1.00 0.00 C ATOM 1774 C SER A 118 -3.628 -24.137 -10.353 1.00 0.00 C ATOM 1775 O SER A 118 -3.400 -23.872 -11.533 1.00 0.00 O ATOM 1776 CB SER A 118 -5.907 -23.106 -10.279 1.00 0.00 C ATOM 1777 OG SER A 118 -6.621 -24.328 -10.345 1.00 0.00 O ATOM 0 H SER A 118 -4.136 -21.278 -9.959 1.00 0.00 H new ATOM 0 HA SER A 118 -4.776 -23.789 -8.584 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.515 -22.352 -9.779 1.00 0.00 H new ATOM 0 HB3 SER A 118 -5.711 -22.741 -11.287 1.00 0.00 H new ATOM 0 HG SER A 118 -6.124 -25.024 -9.866 1.00 0.00 H new ATOM 1783 N GLY A 119 -3.070 -25.165 -9.722 1.00 0.00 N ATOM 1784 CA GLY A 119 -2.144 -26.045 -10.412 1.00 0.00 C ATOM 1785 C GLY A 119 -2.674 -27.460 -10.538 1.00 0.00 C ATOM 1786 O GLY A 119 -3.414 -27.788 -11.466 1.00 0.00 O ATOM 0 H GLY A 119 -3.242 -25.405 -8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -1.941 -25.646 -11.406 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -1.195 -26.062 -9.875 1.00 0.00 H new ATOM 1790 N PRO A 120 -2.290 -28.326 -9.589 1.00 0.00 N ATOM 1791 CA PRO A 120 -2.719 -29.728 -9.577 1.00 0.00 C ATOM 1792 C PRO A 120 -4.202 -29.878 -9.253 1.00 0.00 C ATOM 1793 O PRO A 120 -4.844 -30.839 -9.675 1.00 0.00 O ATOM 1794 CB PRO A 120 -1.864 -30.351 -8.470 1.00 0.00 C ATOM 1795 CG PRO A 120 -1.525 -29.214 -7.568 1.00 0.00 C ATOM 1796 CD PRO A 120 -1.410 -28.004 -8.453 1.00 0.00 C ATOM 0 HA PRO A 120 -2.592 -30.202 -10.550 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -2.411 -31.129 -7.938 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -0.966 -30.815 -8.877 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -2.297 -29.072 -6.812 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -0.591 -29.401 -7.039 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -1.733 -27.098 -7.939 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -0.382 -27.839 -8.776 1.00 0.00 H new ATOM 1804 N SER A 121 -4.739 -28.922 -8.502 1.00 0.00 N ATOM 1805 CA SER A 121 -6.145 -28.950 -8.120 1.00 0.00 C ATOM 1806 C SER A 121 -6.996 -28.173 -9.120 1.00 0.00 C ATOM 1807 O SER A 121 -6.554 -27.171 -9.681 1.00 0.00 O ATOM 1808 CB SER A 121 -6.326 -28.366 -6.717 1.00 0.00 C ATOM 1809 OG SER A 121 -7.695 -28.139 -6.432 1.00 0.00 O ATOM 0 H SER A 121 -4.221 -28.118 -8.146 1.00 0.00 H new ATOM 0 HA SER A 121 -6.475 -29.989 -8.119 1.00 0.00 H new ATOM 0 HB2 SER A 121 -5.906 -29.049 -5.978 1.00 0.00 H new ATOM 0 HB3 SER A 121 -5.774 -27.430 -6.635 1.00 0.00 H new ATOM 0 HG SER A 121 -7.784 -27.767 -5.530 1.00 0.00 H new ATOM 1815 N SER A 122 -8.220 -28.643 -9.337 1.00 0.00 N ATOM 1816 CA SER A 122 -9.133 -27.996 -10.272 1.00 0.00 C ATOM 1817 C SER A 122 -10.571 -28.441 -10.023 1.00 0.00 C ATOM 1818 O SER A 122 -10.887 -29.628 -10.099 1.00 0.00 O ATOM 1819 CB SER A 122 -8.730 -28.314 -11.713 1.00 0.00 C ATOM 1820 OG SER A 122 -9.024 -29.661 -12.039 1.00 0.00 O ATOM 0 H SER A 122 -8.603 -29.470 -8.878 1.00 0.00 H new ATOM 0 HA SER A 122 -9.073 -26.919 -10.115 1.00 0.00 H new ATOM 0 HB2 SER A 122 -9.256 -27.648 -12.397 1.00 0.00 H new ATOM 0 HB3 SER A 122 -7.664 -28.129 -11.845 1.00 0.00 H new ATOM 0 HG SER A 122 -9.810 -29.956 -11.533 1.00 0.00 H new ATOM 1826 N GLY A 123 -11.439 -27.479 -9.726 1.00 0.00 N ATOM 1827 CA GLY A 123 -12.833 -27.790 -9.471 1.00 0.00 C ATOM 1828 C GLY A 123 -13.726 -26.568 -9.556 1.00 0.00 C ATOM 1829 O GLY A 123 -14.950 -26.678 -9.484 1.00 0.00 O ATOM 0 H GLY A 123 -11.201 -26.489 -9.657 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -13.173 -28.535 -10.190 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.927 -28.236 -8.481 1.00 0.00 H new TER 1833 GLY A 123