USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 669 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 5 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 6 ASN :FLIP amide:sc=-3.59e-06 F(o=-0.8,f=-3.6e-06) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.72 X(o=-0.72,f=-0.83) USER MOD Single : A 7 ASN :FLIP amide:sc=-0.00599 F(o=-1.3,f=-0.006) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.214 F(o=-3.2!,f=-0.21) USER MOD Single : A 14 LYS NZ :NH3+ 139:sc= -0.16 (180deg=-1.81!) USER MOD Single : A 16 ASN : amide:sc= -0.278 K(o=-0.28,f=-6.3!) USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 19 GLN : amide:sc=-0.00178 K(o=-0.0018,f=-3.2) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.41 K(o=-1.4,f=-5!) USER MOD Single : A 26 SER OG : rot 53:sc= -0.0295 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 36 THR OG1 : rot -13:sc= 0.664 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.82 X(o=-0.82,f=-0.85) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -103:sc= 1.81 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 185 THR OG1 : rot 180:sc= 0 USER MOD Single : B 196 HIS : no HD1:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : B 197 THR OG1 : rot 42:sc= 0.898 USER MOD Single : B 198 LYS NZ :NH3+ -139:sc= 0.0925 (180deg=-0.296) USER MOD Single : B 199 SER OG : rot -48:sc= 0.792 USER MOD Single : B 201 TYR OH : rot 180:sc= 0 USER MOD Single : B 202 THR OG1 : rot 180:sc= 0 USER MOD Single : B 204 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.850 -19.004 -1.738 1.00 0.00 N ATOM 2 CA MET A 1 -8.598 -18.836 -2.518 1.00 0.00 C ATOM 3 C MET A 1 -8.722 -17.673 -3.496 1.00 0.00 C ATOM 4 O MET A 1 -7.954 -16.713 -3.435 1.00 0.00 O ATOM 5 CB MET A 1 -8.272 -20.121 -3.282 1.00 0.00 C ATOM 6 CG MET A 1 -6.938 -20.076 -4.009 1.00 0.00 C ATOM 7 SD MET A 1 -6.555 -21.622 -4.852 1.00 0.00 S ATOM 8 CE MET A 1 -4.941 -21.245 -5.534 1.00 0.00 C ATOM 0 H1 MET A 1 -9.744 -19.801 -1.078 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.044 -18.134 -1.202 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.640 -19.194 -2.387 1.00 0.00 H new ATOM 0 HA MET A 1 -7.790 -18.620 -1.819 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.267 -20.958 -2.583 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.064 -20.314 -4.005 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.952 -19.264 -4.736 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.146 -19.850 -3.294 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.569 -22.108 -6.087 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.020 -20.390 -6.206 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.251 -21.007 -4.725 1.00 0.00 H new ATOM 20 N THR A 2 -9.696 -17.766 -4.394 1.00 0.00 N ATOM 21 CA THR A 2 -9.924 -16.722 -5.385 1.00 0.00 C ATOM 22 C THR A 2 -10.796 -15.609 -4.813 1.00 0.00 C ATOM 23 O THR A 2 -11.900 -15.860 -4.328 1.00 0.00 O ATOM 24 CB THR A 2 -10.590 -17.288 -6.654 1.00 0.00 C ATOM 25 OG1 THR A 2 -9.803 -18.365 -7.178 1.00 0.00 O ATOM 26 CG2 THR A 2 -10.744 -16.208 -7.715 1.00 0.00 C ATOM 0 H THR A 2 -10.341 -18.554 -4.456 1.00 0.00 H new ATOM 0 HA THR A 2 -8.949 -16.315 -5.651 1.00 0.00 H new ATOM 0 HB THR A 2 -11.581 -17.654 -6.385 1.00 0.00 H new ATOM 0 HG1 THR A 2 -10.232 -18.722 -7.984 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.217 -16.633 -8.601 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.364 -15.401 -7.325 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.762 -15.816 -7.980 1.00 0.00 H new ATOM 34 N ASP A 3 -10.292 -14.381 -4.873 1.00 0.00 N ATOM 35 CA ASP A 3 -11.020 -13.228 -4.356 1.00 0.00 C ATOM 36 C ASP A 3 -12.071 -12.751 -5.356 1.00 0.00 C ATOM 37 O ASP A 3 -11.738 -12.208 -6.409 1.00 0.00 O ATOM 38 CB ASP A 3 -10.049 -12.089 -4.039 1.00 0.00 C ATOM 39 CG ASP A 3 -8.954 -12.512 -3.079 1.00 0.00 C ATOM 40 OD1 ASP A 3 -9.204 -12.514 -1.856 1.00 0.00 O ATOM 41 OD2 ASP A 3 -7.845 -12.842 -3.552 1.00 0.00 O ATOM 0 H ASP A 3 -9.381 -14.158 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.528 -13.532 -3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.598 -11.731 -4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.602 -11.253 -3.610 1.00 0.00 H new ATOM 46 N ASN A 4 -13.341 -12.961 -5.019 1.00 0.00 N ATOM 47 CA ASN A 4 -14.441 -12.552 -5.885 1.00 0.00 C ATOM 48 C ASN A 4 -14.769 -11.073 -5.685 1.00 0.00 C ATOM 49 O ASN A 4 -14.012 -10.341 -5.049 1.00 0.00 O ATOM 50 CB ASN A 4 -15.679 -13.407 -5.605 1.00 0.00 C ATOM 51 CG ASN A 4 -16.158 -13.281 -4.172 1.00 0.00 C ATOM 52 OD1 ASN A 4 -16.987 -12.429 -3.855 1.00 0.00 O ATOM 53 ND2 ASN A 4 -15.638 -14.133 -3.297 1.00 0.00 N ATOM 0 H ASN A 4 -13.633 -13.412 -4.152 1.00 0.00 H new ATOM 0 HA ASN A 4 -14.134 -12.699 -6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -16.482 -13.111 -6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -15.451 -14.451 -5.818 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -15.923 -14.097 -2.318 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -14.953 -14.824 -3.603 1.00 0.00 H new ATOM 60 N SER A 5 -15.901 -10.643 -6.235 1.00 0.00 N ATOM 61 CA SER A 5 -16.332 -9.253 -6.120 1.00 0.00 C ATOM 62 C SER A 5 -17.059 -9.018 -4.798 1.00 0.00 C ATOM 63 O SER A 5 -16.887 -9.780 -3.848 1.00 0.00 O ATOM 64 CB SER A 5 -17.243 -8.887 -7.294 1.00 0.00 C ATOM 65 OG SER A 5 -18.401 -9.703 -7.314 1.00 0.00 O ATOM 0 H SER A 5 -16.537 -11.238 -6.766 1.00 0.00 H new ATOM 0 HA SER A 5 -15.448 -8.616 -6.143 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.534 -7.839 -7.220 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.698 -9.001 -8.231 1.00 0.00 H new ATOM 0 HG SER A 5 -18.968 -9.448 -8.072 1.00 0.00 H new ATOM 71 N ASN A 6 -17.867 -7.958 -4.749 1.00 0.00 N ATOM 72 CA ASN A 6 -18.633 -7.612 -3.550 1.00 0.00 C ATOM 73 C ASN A 6 -17.718 -7.186 -2.404 1.00 0.00 C ATOM 74 O ASN A 6 -17.597 -5.998 -2.106 1.00 0.00 O ATOM 75 CB ASN A 6 -19.509 -8.790 -3.113 1.00 0.00 C ATOM 76 CG ASN A 6 -20.385 -9.311 -4.237 1.00 0.00 C ATOM 77 OD1 ASN A 6 -20.809 -8.419 -5.124 1.00 0.00 O flip ATOM 78 ND2 ASN A 6 -20.678 -10.505 -4.305 1.00 0.00 N flip ATOM 0 H ASN A 6 -18.009 -7.320 -5.532 1.00 0.00 H new ATOM 0 HA ASN A 6 -19.273 -6.767 -3.802 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -18.872 -9.597 -2.749 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -20.139 -8.480 -2.279 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -20.330 -11.156 -3.601 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -21.269 -10.843 -5.065 1.00 0.00 H new ATOM 85 N ASN A 7 -17.076 -8.159 -1.763 1.00 0.00 N ATOM 86 CA ASN A 7 -16.178 -7.877 -0.649 1.00 0.00 C ATOM 87 C ASN A 7 -14.772 -7.561 -1.147 1.00 0.00 C ATOM 88 O ASN A 7 -13.964 -8.462 -1.376 1.00 0.00 O ATOM 89 CB ASN A 7 -16.137 -9.064 0.314 1.00 0.00 C ATOM 90 CG ASN A 7 -17.468 -9.304 1.002 1.00 0.00 C ATOM 91 OD1 ASN A 7 -18.211 -8.231 1.249 1.00 0.00 O flip ATOM 92 ND2 ASN A 7 -17.822 -10.441 1.311 1.00 0.00 N flip ATOM 0 H ASN A 7 -17.161 -9.148 -1.996 1.00 0.00 H new ATOM 0 HA ASN A 7 -16.560 -7.003 -0.121 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -15.848 -9.961 -0.233 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -15.369 -8.889 1.068 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -17.220 -11.237 1.102 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -18.718 -10.588 1.776 1.00 0.00 H new ATOM 99 N GLN A 8 -14.492 -6.274 -1.321 1.00 0.00 N ATOM 100 CA GLN A 8 -13.185 -5.827 -1.789 1.00 0.00 C ATOM 101 C GLN A 8 -12.913 -4.389 -1.359 1.00 0.00 C ATOM 102 O GLN A 8 -13.641 -3.469 -1.735 1.00 0.00 O ATOM 103 CB GLN A 8 -13.098 -5.946 -3.314 1.00 0.00 C ATOM 104 CG GLN A 8 -11.864 -5.285 -3.911 1.00 0.00 C ATOM 105 CD GLN A 8 -10.578 -5.733 -3.241 1.00 0.00 C ATOM 106 OE1 GLN A 8 -9.593 -4.841 -3.202 1.00 0.00 O flip ATOM 107 NE2 GLN A 8 -10.471 -6.862 -2.764 1.00 0.00 N flip ATOM 0 H GLN A 8 -15.155 -5.520 -1.144 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.427 -6.468 -1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.102 -7.001 -3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.988 -5.498 -3.756 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.813 -5.514 -4.975 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.957 -4.203 -3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.253 -7.514 -2.817 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.600 -7.146 -2.316 1.00 0.00 H new ATOM 116 N LEU A 9 -11.860 -4.202 -0.569 1.00 0.00 N ATOM 117 CA LEU A 9 -11.489 -2.876 -0.086 1.00 0.00 C ATOM 118 C LEU A 9 -10.666 -2.131 -1.131 1.00 0.00 C ATOM 119 O LEU A 9 -9.640 -2.626 -1.596 1.00 0.00 O ATOM 120 CB LEU A 9 -10.700 -2.994 1.224 1.00 0.00 C ATOM 121 CG LEU A 9 -10.546 -1.693 2.020 1.00 0.00 C ATOM 122 CD1 LEU A 9 -10.280 -1.996 3.487 1.00 0.00 C ATOM 123 CD2 LEU A 9 -9.423 -0.840 1.448 1.00 0.00 C ATOM 0 H LEU A 9 -11.248 -4.953 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.401 -2.309 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.191 -3.732 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.706 -3.380 0.996 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.478 -1.134 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.173 -1.062 4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.113 -2.566 3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.363 -2.578 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.332 0.078 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.485 -1.394 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.646 -0.593 0.410 1.00 0.00 H new ATOM 135 N VAL A 10 -11.121 -0.935 -1.493 1.00 0.00 N ATOM 136 CA VAL A 10 -10.423 -0.116 -2.478 1.00 0.00 C ATOM 137 C VAL A 10 -9.663 1.013 -1.794 1.00 0.00 C ATOM 138 O VAL A 10 -10.180 1.657 -0.881 1.00 0.00 O ATOM 139 CB VAL A 10 -11.397 0.487 -3.510 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.634 1.231 -4.596 1.00 0.00 C ATOM 141 CG2 VAL A 10 -12.274 -0.599 -4.116 1.00 0.00 C ATOM 0 H VAL A 10 -11.970 -0.512 -1.119 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.723 -0.770 -2.999 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.042 1.200 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.339 1.649 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.054 2.037 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.962 0.541 -5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.955 -0.154 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.646 -1.338 -4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.850 -1.083 -3.328 1.00 0.00 H new ATOM 151 N VAL A 11 -8.432 1.247 -2.236 1.00 0.00 N ATOM 152 CA VAL A 11 -7.602 2.292 -1.652 1.00 0.00 C ATOM 153 C VAL A 11 -6.990 3.188 -2.730 1.00 0.00 C ATOM 154 O VAL A 11 -6.745 2.745 -3.853 1.00 0.00 O ATOM 155 CB VAL A 11 -6.476 1.683 -0.792 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.456 0.964 -1.662 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.809 2.753 0.055 1.00 0.00 C ATOM 0 H VAL A 11 -7.989 0.728 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.249 2.900 -1.019 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.921 0.948 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.672 0.543 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.948 0.162 -2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.016 1.670 -2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.018 2.302 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.382 3.517 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.548 3.209 0.714 1.00 0.00 H new ATOM 167 N ARG A 12 -6.752 4.451 -2.380 1.00 0.00 N ATOM 168 CA ARG A 12 -6.165 5.409 -3.312 1.00 0.00 C ATOM 169 C ARG A 12 -4.889 6.014 -2.735 1.00 0.00 C ATOM 170 O ARG A 12 -4.868 6.470 -1.591 1.00 0.00 O ATOM 171 CB ARG A 12 -7.163 6.521 -3.641 1.00 0.00 C ATOM 172 CG ARG A 12 -6.641 7.526 -4.656 1.00 0.00 C ATOM 173 CD ARG A 12 -7.668 8.610 -4.945 1.00 0.00 C ATOM 174 NE ARG A 12 -7.972 9.407 -3.760 1.00 0.00 N ATOM 175 CZ ARG A 12 -8.562 10.598 -3.803 1.00 0.00 C ATOM 176 NH1 ARG A 12 -8.912 11.126 -4.968 1.00 0.00 N ATOM 177 NH2 ARG A 12 -8.804 11.262 -2.681 1.00 0.00 N ATOM 0 H ARG A 12 -6.957 4.834 -1.457 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.916 4.875 -4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.080 6.073 -4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.424 7.047 -2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.725 7.982 -4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.384 7.010 -5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.294 9.262 -5.734 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.584 8.151 -5.318 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.717 9.029 -2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.729 10.618 -5.834 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.364 12.040 -4.998 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.537 10.859 -1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.257 12.175 -2.716 1.00 0.00 H new ATOM 191 N ALA A 13 -3.829 6.011 -3.536 1.00 0.00 N ATOM 192 CA ALA A 13 -2.542 6.556 -3.114 1.00 0.00 C ATOM 193 C ALA A 13 -2.648 8.036 -2.766 1.00 0.00 C ATOM 194 O ALA A 13 -3.324 8.801 -3.453 1.00 0.00 O ATOM 195 CB ALA A 13 -1.505 6.345 -4.204 1.00 0.00 C ATOM 0 H ALA A 13 -3.835 5.636 -4.485 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.231 6.025 -2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.548 6.755 -3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.395 5.278 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.826 6.850 -5.115 1.00 0.00 H new ATOM 201 N LYS A 14 -1.970 8.433 -1.692 1.00 0.00 N ATOM 202 CA LYS A 14 -1.981 9.822 -1.248 1.00 0.00 C ATOM 203 C LYS A 14 -0.735 10.561 -1.728 1.00 0.00 C ATOM 204 O LYS A 14 -0.826 11.505 -2.514 1.00 0.00 O ATOM 205 CB LYS A 14 -2.070 9.890 0.276 1.00 0.00 C ATOM 206 CG LYS A 14 -3.312 9.218 0.840 1.00 0.00 C ATOM 207 CD LYS A 14 -3.385 9.355 2.353 1.00 0.00 C ATOM 208 CE LYS A 14 -3.573 10.803 2.775 1.00 0.00 C ATOM 209 NZ LYS A 14 -4.804 11.397 2.188 1.00 0.00 N ATOM 0 H LYS A 14 -1.406 7.811 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.856 10.306 -1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.185 9.420 0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.059 10.935 0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.201 9.660 0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.310 8.162 0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.211 8.754 2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.472 8.961 2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.625 10.860 3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.706 11.387 2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.281 11.983 2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.549 11.987 1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.444 10.637 1.881 1.00 0.00 H new ATOM 223 N PHE A 15 0.427 10.126 -1.248 1.00 0.00 N ATOM 224 CA PHE A 15 1.693 10.749 -1.621 1.00 0.00 C ATOM 225 C PHE A 15 2.422 9.921 -2.675 1.00 0.00 C ATOM 226 O PHE A 15 2.148 8.732 -2.842 1.00 0.00 O ATOM 227 CB PHE A 15 2.580 10.919 -0.386 1.00 0.00 C ATOM 228 CG PHE A 15 1.877 11.557 0.779 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.518 12.896 0.741 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.574 10.818 1.912 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.870 13.484 1.810 1.00 0.00 C ATOM 232 CE2 PHE A 15 0.925 11.402 2.984 1.00 0.00 C ATOM 233 CZ PHE A 15 0.574 12.737 2.933 1.00 0.00 C ATOM 0 H PHE A 15 0.518 9.344 -0.599 1.00 0.00 H new ATOM 0 HA PHE A 15 1.476 11.729 -2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.955 9.942 -0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.446 11.525 -0.652 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.748 13.486 -0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.848 9.774 1.958 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.595 14.528 1.767 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.693 10.815 3.860 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.069 13.196 3.770 1.00 0.00 H new ATOM 243 N ASN A 16 3.352 10.557 -3.382 1.00 0.00 N ATOM 244 CA ASN A 16 4.125 9.880 -4.419 1.00 0.00 C ATOM 245 C ASN A 16 5.192 8.978 -3.803 1.00 0.00 C ATOM 246 O ASN A 16 6.195 9.454 -3.271 1.00 0.00 O ATOM 247 CB ASN A 16 4.774 10.903 -5.356 1.00 0.00 C ATOM 248 CG ASN A 16 5.680 11.877 -4.625 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.451 12.204 -3.461 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.717 12.345 -5.308 1.00 0.00 N ATOM 0 H ASN A 16 3.589 11.541 -3.256 1.00 0.00 H new ATOM 0 HA ASN A 16 3.442 9.257 -4.997 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.351 10.377 -6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.994 11.459 -5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.362 13.003 -4.869 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.869 12.047 -6.272 1.00 0.00 H new ATOM 257 N PHE A 17 4.964 7.670 -3.877 1.00 0.00 N ATOM 258 CA PHE A 17 5.896 6.693 -3.325 1.00 0.00 C ATOM 259 C PHE A 17 6.844 6.170 -4.403 1.00 0.00 C ATOM 260 O PHE A 17 6.514 6.176 -5.589 1.00 0.00 O ATOM 261 CB PHE A 17 5.117 5.530 -2.705 1.00 0.00 C ATOM 262 CG PHE A 17 5.870 4.797 -1.631 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.763 3.789 -1.953 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.676 5.116 -0.297 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.451 3.112 -0.964 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.360 4.443 0.697 1.00 0.00 C ATOM 267 CZ PHE A 17 7.249 3.439 0.364 1.00 0.00 C ATOM 0 H PHE A 17 4.139 7.261 -4.316 1.00 0.00 H new ATOM 0 HA PHE A 17 6.493 7.183 -2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.186 5.912 -2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.848 4.825 -3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.924 3.529 -2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.982 5.900 -0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.146 2.328 -1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.200 4.701 1.733 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.785 2.911 1.139 1.00 0.00 H new ATOM 277 N GLN A 18 8.022 5.716 -3.982 1.00 0.00 N ATOM 278 CA GLN A 18 9.016 5.184 -4.910 1.00 0.00 C ATOM 279 C GLN A 18 9.452 3.780 -4.496 1.00 0.00 C ATOM 280 O GLN A 18 9.560 3.480 -3.308 1.00 0.00 O ATOM 281 CB GLN A 18 10.235 6.109 -4.976 1.00 0.00 C ATOM 282 CG GLN A 18 10.958 6.262 -3.646 1.00 0.00 C ATOM 283 CD GLN A 18 12.225 7.091 -3.758 1.00 0.00 C ATOM 284 OE1 GLN A 18 12.232 8.045 -4.682 1.00 0.00 O flip ATOM 285 NE2 GLN A 18 13.185 6.878 -3.018 1.00 0.00 N flip ATOM 0 H GLN A 18 8.311 5.706 -3.004 1.00 0.00 H new ATOM 0 HA GLN A 18 8.558 5.128 -5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.934 5.722 -5.717 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.916 7.092 -5.321 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.287 6.728 -2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.208 5.275 -3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.137 6.134 -2.321 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.029 7.445 -3.101 1.00 0.00 H new ATOM 294 N GLN A 19 9.700 2.924 -5.485 1.00 0.00 N ATOM 295 CA GLN A 19 10.124 1.552 -5.220 1.00 0.00 C ATOM 296 C GLN A 19 11.591 1.355 -5.587 1.00 0.00 C ATOM 297 O GLN A 19 12.196 2.200 -6.246 1.00 0.00 O ATOM 298 CB GLN A 19 9.255 0.562 -6.003 1.00 0.00 C ATOM 299 CG GLN A 19 9.411 0.674 -7.512 1.00 0.00 C ATOM 300 CD GLN A 19 8.510 -0.287 -8.266 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.426 -0.635 -7.799 1.00 0.00 O ATOM 302 NE2 GLN A 19 8.957 -0.721 -9.439 1.00 0.00 N ATOM 0 H GLN A 19 9.615 3.156 -6.475 1.00 0.00 H new ATOM 0 HA GLN A 19 10.004 1.364 -4.153 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.507 -0.453 -5.695 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.209 0.724 -5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.187 1.695 -7.822 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.449 0.480 -7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.862 -0.406 -9.788 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.395 -1.369 -9.991 1.00 0.00 H new ATOM 311 N THR A 20 12.157 0.233 -5.154 1.00 0.00 N ATOM 312 CA THR A 20 13.552 -0.081 -5.439 1.00 0.00 C ATOM 313 C THR A 20 13.656 -1.228 -6.435 1.00 0.00 C ATOM 314 O THR A 20 14.604 -1.304 -7.216 1.00 0.00 O ATOM 315 CB THR A 20 14.315 -0.457 -4.156 1.00 0.00 C ATOM 316 OG1 THR A 20 13.741 -1.630 -3.568 1.00 0.00 O ATOM 317 CG2 THR A 20 14.282 0.684 -3.151 1.00 0.00 C ATOM 0 H THR A 20 11.670 -0.475 -4.604 1.00 0.00 H new ATOM 0 HA THR A 20 14.002 0.814 -5.868 1.00 0.00 H new ATOM 0 HB THR A 20 15.353 -0.655 -4.425 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.234 -1.862 -2.754 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.828 0.394 -2.253 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.747 1.568 -3.588 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.248 0.909 -2.890 1.00 0.00 H new ATOM 325 N ASN A 21 12.670 -2.119 -6.398 1.00 0.00 N ATOM 326 CA ASN A 21 12.637 -3.266 -7.295 1.00 0.00 C ATOM 327 C ASN A 21 11.197 -3.715 -7.532 1.00 0.00 C ATOM 328 O ASN A 21 10.274 -3.232 -6.878 1.00 0.00 O ATOM 329 CB ASN A 21 13.460 -4.417 -6.711 1.00 0.00 C ATOM 330 CG ASN A 21 13.670 -5.546 -7.700 1.00 0.00 C ATOM 331 OD1 ASN A 21 12.887 -6.496 -7.754 1.00 0.00 O ATOM 332 ND2 ASN A 21 14.731 -5.448 -8.493 1.00 0.00 N ATOM 0 H ASN A 21 11.881 -2.067 -5.753 1.00 0.00 H new ATOM 0 HA ASN A 21 13.071 -2.973 -8.251 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.429 -4.038 -6.388 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.958 -4.804 -5.825 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.923 -6.177 -9.180 1.00 0.00 H new ATOM 0 HD22 ASN A 21 15.354 -4.644 -8.415 1.00 0.00 H new ATOM 339 N GLU A 22 11.014 -4.639 -8.470 1.00 0.00 N ATOM 340 CA GLU A 22 9.685 -5.149 -8.793 1.00 0.00 C ATOM 341 C GLU A 22 9.034 -5.807 -7.580 1.00 0.00 C ATOM 342 O GLU A 22 7.810 -5.913 -7.507 1.00 0.00 O ATOM 343 CB GLU A 22 9.767 -6.148 -9.948 1.00 0.00 C ATOM 344 CG GLU A 22 10.235 -5.531 -11.255 1.00 0.00 C ATOM 345 CD GLU A 22 9.283 -4.469 -11.771 1.00 0.00 C ATOM 346 OE1 GLU A 22 8.346 -4.824 -12.517 1.00 0.00 O ATOM 347 OE2 GLU A 22 9.473 -3.283 -11.427 1.00 0.00 O ATOM 0 H GLU A 22 11.768 -5.050 -9.020 1.00 0.00 H new ATOM 0 HA GLU A 22 9.067 -4.303 -9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.447 -6.954 -9.672 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.785 -6.597 -10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.222 -5.091 -11.112 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.341 -6.315 -12.005 1.00 0.00 H new ATOM 354 N ASP A 23 9.858 -6.247 -6.632 1.00 0.00 N ATOM 355 CA ASP A 23 9.355 -6.894 -5.424 1.00 0.00 C ATOM 356 C ASP A 23 8.388 -5.977 -4.681 1.00 0.00 C ATOM 357 O ASP A 23 7.381 -6.431 -4.137 1.00 0.00 O ATOM 358 CB ASP A 23 10.514 -7.282 -4.503 1.00 0.00 C ATOM 359 CG ASP A 23 10.054 -8.085 -3.301 1.00 0.00 C ATOM 360 OD1 ASP A 23 9.844 -9.307 -3.449 1.00 0.00 O ATOM 361 OD2 ASP A 23 9.905 -7.491 -2.213 1.00 0.00 O ATOM 0 H ASP A 23 10.874 -6.167 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 23 8.821 -7.796 -5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.244 -7.863 -5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.021 -6.379 -4.161 1.00 0.00 H new ATOM 366 N GLU A 24 8.704 -4.686 -4.664 1.00 0.00 N ATOM 367 CA GLU A 24 7.864 -3.700 -3.993 1.00 0.00 C ATOM 368 C GLU A 24 6.942 -3.009 -4.994 1.00 0.00 C ATOM 369 O GLU A 24 7.300 -2.831 -6.158 1.00 0.00 O ATOM 370 CB GLU A 24 8.734 -2.665 -3.276 1.00 0.00 C ATOM 371 CG GLU A 24 7.941 -1.663 -2.452 1.00 0.00 C ATOM 372 CD GLU A 24 8.829 -0.658 -1.743 1.00 0.00 C ATOM 373 OE1 GLU A 24 9.281 -0.955 -0.618 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.072 0.426 -2.314 1.00 0.00 O ATOM 0 H GLU A 24 9.536 -4.298 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 24 7.249 -4.216 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.436 -3.184 -2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.325 -2.126 -4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.246 -1.133 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.343 -2.198 -1.714 1.00 0.00 H new ATOM 381 N LEU A 25 5.758 -2.620 -4.534 1.00 0.00 N ATOM 382 CA LEU A 25 4.786 -1.956 -5.396 1.00 0.00 C ATOM 383 C LEU A 25 4.840 -0.442 -5.221 1.00 0.00 C ATOM 384 O LEU A 25 4.647 0.074 -4.120 1.00 0.00 O ATOM 385 CB LEU A 25 3.373 -2.473 -5.094 1.00 0.00 C ATOM 386 CG LEU A 25 2.279 -2.013 -6.065 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.138 -3.017 -6.093 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.756 -0.636 -5.677 1.00 0.00 C ATOM 0 H LEU A 25 5.448 -2.752 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 25 5.037 -2.186 -6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.397 -3.563 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.097 -2.158 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 25 2.715 -1.948 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.370 -2.676 -6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.515 -3.987 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.710 -3.109 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.981 -0.330 -6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.339 -0.676 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.574 0.084 -5.703 1.00 0.00 H new ATOM 400 N SER A 26 5.106 0.263 -6.317 1.00 0.00 N ATOM 401 CA SER A 26 5.169 1.719 -6.295 1.00 0.00 C ATOM 402 C SER A 26 3.820 2.310 -6.686 1.00 0.00 C ATOM 403 O SER A 26 2.998 1.637 -7.309 1.00 0.00 O ATOM 404 CB SER A 26 6.255 2.223 -7.246 1.00 0.00 C ATOM 405 OG SER A 26 6.281 3.639 -7.288 1.00 0.00 O ATOM 0 H SER A 26 5.281 -0.152 -7.232 1.00 0.00 H new ATOM 0 HA SER A 26 5.416 2.038 -5.282 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.227 1.848 -6.924 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.077 1.830 -8.247 1.00 0.00 H new ATOM 0 HG SER A 26 6.350 3.992 -6.376 1.00 0.00 H new ATOM 411 N PHE A 27 3.595 3.567 -6.325 1.00 0.00 N ATOM 412 CA PHE A 27 2.336 4.227 -6.641 1.00 0.00 C ATOM 413 C PHE A 27 2.448 5.739 -6.489 1.00 0.00 C ATOM 414 O PHE A 27 3.244 6.237 -5.695 1.00 0.00 O ATOM 415 CB PHE A 27 1.222 3.695 -5.735 1.00 0.00 C ATOM 416 CG PHE A 27 1.583 3.695 -4.275 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.397 4.828 -3.500 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.111 2.561 -3.680 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.728 4.830 -2.159 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.445 2.557 -2.339 1.00 0.00 C ATOM 421 CZ PHE A 27 2.253 3.692 -1.577 1.00 0.00 C ATOM 0 H PHE A 27 4.263 4.146 -5.817 1.00 0.00 H new ATOM 0 HA PHE A 27 2.095 4.008 -7.681 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.327 4.300 -5.880 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.972 2.679 -6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.988 5.721 -3.950 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.263 1.670 -4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.577 5.720 -1.566 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.856 1.666 -1.887 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.512 3.691 -0.529 1.00 0.00 H new ATOM 431 N SER A 28 1.644 6.458 -7.262 1.00 0.00 N ATOM 432 CA SER A 28 1.633 7.914 -7.216 1.00 0.00 C ATOM 433 C SER A 28 0.219 8.420 -6.960 1.00 0.00 C ATOM 434 O SER A 28 -0.755 7.755 -7.308 1.00 0.00 O ATOM 435 CB SER A 28 2.170 8.495 -8.526 1.00 0.00 C ATOM 436 OG SER A 28 2.146 9.912 -8.503 1.00 0.00 O ATOM 0 H SER A 28 0.988 6.054 -7.931 1.00 0.00 H new ATOM 0 HA SER A 28 2.279 8.240 -6.401 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.190 8.148 -8.690 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.571 8.131 -9.361 1.00 0.00 H new ATOM 0 HG SER A 28 2.496 10.259 -9.350 1.00 0.00 H new ATOM 442 N LYS A 29 0.116 9.592 -6.336 1.00 0.00 N ATOM 443 CA LYS A 29 -1.181 10.194 -6.030 1.00 0.00 C ATOM 444 C LYS A 29 -2.140 10.080 -7.212 1.00 0.00 C ATOM 445 O LYS A 29 -2.055 10.851 -8.168 1.00 0.00 O ATOM 446 CB LYS A 29 -1.002 11.663 -5.641 1.00 0.00 C ATOM 447 CG LYS A 29 -2.297 12.351 -5.241 1.00 0.00 C ATOM 448 CD LYS A 29 -2.057 13.795 -4.832 1.00 0.00 C ATOM 449 CE LYS A 29 -3.358 14.500 -4.482 1.00 0.00 C ATOM 450 NZ LYS A 29 -3.132 15.915 -4.076 1.00 0.00 N ATOM 0 H LYS A 29 0.917 10.145 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.613 9.649 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.296 11.727 -4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.559 12.200 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.999 12.320 -6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.758 11.809 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.384 13.824 -3.975 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.561 14.327 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.029 14.472 -5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.854 13.965 -3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.043 16.360 -3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.513 15.942 -3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.682 16.433 -4.858 1.00 0.00 H new ATOM 464 N GLY A 30 -3.047 9.108 -7.142 1.00 0.00 N ATOM 465 CA GLY A 30 -4.010 8.913 -8.213 1.00 0.00 C ATOM 466 C GLY A 30 -4.245 7.448 -8.532 1.00 0.00 C ATOM 467 O GLY A 30 -5.389 7.012 -8.660 1.00 0.00 O ATOM 0 H GLY A 30 -3.132 8.453 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.956 9.376 -7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.658 9.424 -9.109 1.00 0.00 H new ATOM 471 N ASP A 31 -3.161 6.688 -8.664 1.00 0.00 N ATOM 472 CA ASP A 31 -3.254 5.265 -8.974 1.00 0.00 C ATOM 473 C ASP A 31 -4.063 4.521 -7.916 1.00 0.00 C ATOM 474 O ASP A 31 -3.758 4.587 -6.725 1.00 0.00 O ATOM 475 CB ASP A 31 -1.856 4.654 -9.085 1.00 0.00 C ATOM 476 CG ASP A 31 -1.049 5.257 -10.219 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.356 6.268 -9.982 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.111 4.718 -11.343 1.00 0.00 O ATOM 0 H ASP A 31 -2.207 7.035 -8.561 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.767 5.164 -9.930 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.323 4.801 -8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.944 3.578 -9.237 1.00 0.00 H new ATOM 483 N VAL A 32 -5.096 3.814 -8.363 1.00 0.00 N ATOM 484 CA VAL A 32 -5.953 3.050 -7.463 1.00 0.00 C ATOM 485 C VAL A 32 -5.443 1.622 -7.311 1.00 0.00 C ATOM 486 O VAL A 32 -5.136 0.955 -8.299 1.00 0.00 O ATOM 487 CB VAL A 32 -7.408 3.016 -7.969 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.315 2.339 -6.952 1.00 0.00 C ATOM 489 CG2 VAL A 32 -7.899 4.421 -8.280 1.00 0.00 C ATOM 0 H VAL A 32 -5.361 3.754 -9.346 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.928 3.549 -6.494 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.437 2.433 -8.890 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.338 2.325 -7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.976 1.316 -6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.282 2.889 -6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.928 4.376 -8.636 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.853 5.030 -7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.268 4.865 -9.050 1.00 0.00 H new ATOM 499 N ILE A 33 -5.359 1.155 -6.069 1.00 0.00 N ATOM 500 CA ILE A 33 -4.877 -0.194 -5.793 1.00 0.00 C ATOM 501 C ILE A 33 -5.958 -1.044 -5.131 1.00 0.00 C ATOM 502 O ILE A 33 -6.691 -0.571 -4.262 1.00 0.00 O ATOM 503 CB ILE A 33 -3.630 -0.168 -4.888 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.555 0.740 -5.491 1.00 0.00 C ATOM 505 CG2 ILE A 33 -3.090 -1.577 -4.686 1.00 0.00 C ATOM 506 CD1 ILE A 33 -1.387 0.995 -4.563 1.00 0.00 C ATOM 0 H ILE A 33 -5.618 1.689 -5.240 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.612 -0.638 -6.753 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.914 0.233 -3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.185 0.289 -6.412 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.007 1.694 -5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.209 -1.541 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.855 -2.196 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.818 -2.004 -5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.665 1.646 -5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.744 1.475 -3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.909 0.048 -4.311 1.00 0.00 H new ATOM 518 N HIS A 34 -6.049 -2.302 -5.553 1.00 0.00 N ATOM 519 CA HIS A 34 -7.033 -3.230 -5.005 1.00 0.00 C ATOM 520 C HIS A 34 -6.429 -4.051 -3.869 1.00 0.00 C ATOM 521 O HIS A 34 -5.459 -4.783 -4.066 1.00 0.00 O ATOM 522 CB HIS A 34 -7.551 -4.160 -6.103 1.00 0.00 C ATOM 523 CG HIS A 34 -8.345 -3.454 -7.160 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.831 -3.129 -8.398 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.626 -3.016 -7.160 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.760 -2.519 -9.111 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.859 -2.439 -8.384 1.00 0.00 N ATOM 0 H HIS A 34 -5.451 -2.703 -6.275 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.865 -2.649 -4.608 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.705 -4.663 -6.571 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.171 -4.934 -5.650 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.333 -3.104 -6.348 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.641 -2.148 -10.118 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.738 -2.017 -8.683 1.00 0.00 H new ATOM 536 N VAL A 35 -7.011 -3.924 -2.680 1.00 0.00 N ATOM 537 CA VAL A 35 -6.530 -4.650 -1.509 1.00 0.00 C ATOM 538 C VAL A 35 -6.923 -6.124 -1.561 1.00 0.00 C ATOM 539 O VAL A 35 -8.105 -6.465 -1.512 1.00 0.00 O ATOM 540 CB VAL A 35 -7.069 -4.029 -0.205 1.00 0.00 C ATOM 541 CG1 VAL A 35 -6.617 -4.834 1.005 1.00 0.00 C ATOM 542 CG2 VAL A 35 -6.626 -2.580 -0.083 1.00 0.00 C ATOM 0 H VAL A 35 -7.817 -3.325 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.443 -4.574 -1.520 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.158 -4.054 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.009 -4.377 1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.990 -5.855 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.528 -4.847 1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.015 -2.157 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.537 -2.532 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.007 -2.010 -0.930 1.00 0.00 H new ATOM 552 N THR A 36 -5.922 -6.993 -1.650 1.00 0.00 N ATOM 553 CA THR A 36 -6.154 -8.431 -1.700 1.00 0.00 C ATOM 554 C THR A 36 -5.676 -9.097 -0.415 1.00 0.00 C ATOM 555 O THR A 36 -5.981 -10.260 -0.152 1.00 0.00 O ATOM 556 CB THR A 36 -5.438 -9.077 -2.901 1.00 0.00 C ATOM 557 OG1 THR A 36 -4.030 -8.829 -2.826 1.00 0.00 O ATOM 558 CG2 THR A 36 -5.983 -8.533 -4.214 1.00 0.00 C ATOM 0 H THR A 36 -4.939 -6.725 -1.689 1.00 0.00 H new ATOM 0 HA THR A 36 -7.228 -8.580 -1.812 1.00 0.00 H new ATOM 0 HB THR A 36 -5.620 -10.151 -2.867 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.855 -8.136 -2.155 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.462 -9.004 -5.047 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.049 -8.750 -4.283 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.829 -7.455 -4.253 1.00 0.00 H new ATOM 566 N ARG A 37 -4.924 -8.344 0.381 1.00 0.00 N ATOM 567 CA ARG A 37 -4.399 -8.843 1.647 1.00 0.00 C ATOM 568 C ARG A 37 -4.214 -7.689 2.629 1.00 0.00 C ATOM 569 O ARG A 37 -3.233 -6.949 2.551 1.00 0.00 O ATOM 570 CB ARG A 37 -3.069 -9.566 1.422 1.00 0.00 C ATOM 571 CG ARG A 37 -2.603 -10.380 2.618 1.00 0.00 C ATOM 572 CD ARG A 37 -1.306 -11.115 2.316 1.00 0.00 C ATOM 573 NE ARG A 37 -0.940 -12.047 3.381 1.00 0.00 N ATOM 574 CZ ARG A 37 0.042 -12.938 3.274 1.00 0.00 C ATOM 575 NH1 ARG A 37 0.756 -13.015 2.160 1.00 0.00 N ATOM 576 NH2 ARG A 37 0.311 -13.754 4.285 1.00 0.00 N ATOM 0 H ARG A 37 -4.663 -7.381 0.170 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.113 -9.551 2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.167 -10.227 0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.304 -8.830 1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.459 -9.722 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.375 -11.099 2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.409 -11.660 1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.503 -10.391 2.177 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.466 -12.012 4.254 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.553 -12.389 1.380 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.508 -13.700 2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.235 -13.698 5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.064 -14.437 4.203 1.00 0.00 H new ATOM 590 N VAL A 38 -5.163 -7.542 3.548 1.00 0.00 N ATOM 591 CA VAL A 38 -5.112 -6.467 4.534 1.00 0.00 C ATOM 592 C VAL A 38 -4.804 -6.997 5.933 1.00 0.00 C ATOM 593 O VAL A 38 -5.666 -7.570 6.601 1.00 0.00 O ATOM 594 CB VAL A 38 -6.437 -5.670 4.555 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.632 -6.606 4.470 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.529 -4.793 5.797 1.00 0.00 C ATOM 0 H VAL A 38 -5.976 -8.153 3.631 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.302 -5.801 4.236 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.449 -5.019 3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.553 -6.023 4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.581 -7.178 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.620 -7.289 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.471 -4.244 5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.484 -5.419 6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.698 -4.088 5.807 1.00 0.00 H new ATOM 606 N GLU A 39 -3.559 -6.809 6.360 1.00 0.00 N ATOM 607 CA GLU A 39 -3.119 -7.250 7.678 1.00 0.00 C ATOM 608 C GLU A 39 -2.886 -6.052 8.593 1.00 0.00 C ATOM 609 O GLU A 39 -2.698 -4.930 8.122 1.00 0.00 O ATOM 610 CB GLU A 39 -1.834 -8.073 7.563 1.00 0.00 C ATOM 611 CG GLU A 39 -1.921 -9.202 6.550 1.00 0.00 C ATOM 612 CD GLU A 39 -3.028 -10.188 6.866 1.00 0.00 C ATOM 613 OE1 GLU A 39 -4.172 -9.959 6.420 1.00 0.00 O ATOM 614 OE2 GLU A 39 -2.751 -11.191 7.559 1.00 0.00 O ATOM 0 H GLU A 39 -2.834 -6.351 5.808 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.902 -7.874 8.108 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.013 -7.412 7.287 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.592 -8.491 8.540 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.086 -8.782 5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.968 -9.730 6.518 1.00 0.00 H new ATOM 621 N GLU A 40 -2.899 -6.293 9.900 1.00 0.00 N ATOM 622 CA GLU A 40 -2.681 -5.228 10.873 1.00 0.00 C ATOM 623 C GLU A 40 -1.190 -4.986 11.080 1.00 0.00 C ATOM 624 O GLU A 40 -0.552 -5.651 11.897 1.00 0.00 O ATOM 625 CB GLU A 40 -3.343 -5.577 12.209 1.00 0.00 C ATOM 626 CG GLU A 40 -4.863 -5.559 12.166 1.00 0.00 C ATOM 627 CD GLU A 40 -5.438 -6.652 11.284 1.00 0.00 C ATOM 628 OE1 GLU A 40 -5.601 -7.789 11.776 1.00 0.00 O ATOM 629 OE2 GLU A 40 -5.724 -6.371 10.101 1.00 0.00 O ATOM 0 H GLU A 40 -3.058 -7.214 10.309 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.133 -4.316 10.483 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.010 -6.567 12.521 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.002 -4.872 12.967 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.252 -5.672 13.178 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.200 -4.589 11.801 1.00 0.00 H new ATOM 636 N GLY A 41 -0.634 -4.036 10.332 1.00 0.00 N ATOM 637 CA GLY A 41 0.780 -3.735 10.456 1.00 0.00 C ATOM 638 C GLY A 41 1.234 -2.622 9.530 1.00 0.00 C ATOM 639 O GLY A 41 2.433 -2.449 9.306 1.00 0.00 O ATOM 0 H GLY A 41 -1.136 -3.472 9.646 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.997 -3.453 11.486 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.357 -4.635 10.243 1.00 0.00 H new ATOM 643 N GLY A 42 0.282 -1.866 8.990 1.00 0.00 N ATOM 644 CA GLY A 42 0.621 -0.776 8.098 1.00 0.00 C ATOM 645 C GLY A 42 1.131 -1.254 6.751 1.00 0.00 C ATOM 646 O GLY A 42 1.503 -0.443 5.905 1.00 0.00 O ATOM 0 H GLY A 42 -0.717 -1.990 9.155 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.258 -0.150 7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.381 -0.151 8.568 1.00 0.00 H new ATOM 650 N TRP A 43 1.140 -2.567 6.542 1.00 0.00 N ATOM 651 CA TRP A 43 1.626 -3.123 5.285 1.00 0.00 C ATOM 652 C TRP A 43 0.648 -4.116 4.674 1.00 0.00 C ATOM 653 O TRP A 43 0.333 -5.146 5.270 1.00 0.00 O ATOM 654 CB TRP A 43 2.981 -3.794 5.490 1.00 0.00 C ATOM 655 CG TRP A 43 4.127 -2.856 5.294 1.00 0.00 C ATOM 656 CD1 TRP A 43 4.919 -2.312 6.262 1.00 0.00 C ATOM 657 CD2 TRP A 43 4.602 -2.342 4.046 1.00 0.00 C ATOM 658 NE1 TRP A 43 5.865 -1.495 5.692 1.00 0.00 N ATOM 659 CE2 TRP A 43 5.691 -1.497 4.332 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.212 -2.519 2.713 1.00 0.00 C ATOM 661 CZ2 TRP A 43 6.395 -0.828 3.335 1.00 0.00 C ATOM 662 CZ3 TRP A 43 4.916 -1.854 1.725 1.00 0.00 C ATOM 663 CH2 TRP A 43 5.996 -1.019 2.040 1.00 0.00 C ATOM 0 H TRP A 43 0.820 -3.259 7.219 1.00 0.00 H new ATOM 0 HA TRP A 43 1.729 -2.291 4.588 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.026 -4.211 6.496 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.077 -4.628 4.795 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.817 -2.496 7.321 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.580 -0.972 6.198 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.380 -3.160 2.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.226 -0.181 3.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.628 -1.981 0.692 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.525 -0.516 1.244 1.00 0.00 H new ATOM 674 N TRP A 44 0.178 -3.790 3.475 1.00 0.00 N ATOM 675 CA TRP A 44 -0.750 -4.647 2.751 1.00 0.00 C ATOM 676 C TRP A 44 -0.149 -5.051 1.407 1.00 0.00 C ATOM 677 O TRP A 44 0.952 -4.630 1.057 1.00 0.00 O ATOM 678 CB TRP A 44 -2.084 -3.929 2.519 1.00 0.00 C ATOM 679 CG TRP A 44 -2.749 -3.434 3.772 1.00 0.00 C ATOM 680 CD1 TRP A 44 -2.531 -3.860 5.051 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.758 -2.421 3.855 1.00 0.00 C ATOM 682 NE1 TRP A 44 -3.335 -3.166 5.923 1.00 0.00 N ATOM 683 CE2 TRP A 44 -4.099 -2.279 5.213 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.404 -1.618 2.910 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -5.056 -1.366 5.648 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.355 -0.714 3.344 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.673 -0.594 4.702 1.00 0.00 C ATOM 0 H TRP A 44 0.427 -2.932 2.982 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.931 -5.538 3.352 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.916 -3.083 1.853 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.764 -4.609 2.006 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.829 -4.630 5.336 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.359 -3.291 6.935 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.164 -1.703 1.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.303 -1.271 6.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.862 -0.089 2.623 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.421 0.122 5.009 1.00 0.00 H new ATOM 698 N GLU A 45 -0.876 -5.873 0.665 1.00 0.00 N ATOM 699 CA GLU A 45 -0.427 -6.328 -0.648 1.00 0.00 C ATOM 700 C GLU A 45 -1.557 -6.206 -1.668 1.00 0.00 C ATOM 701 O GLU A 45 -2.577 -6.886 -1.560 1.00 0.00 O ATOM 702 CB GLU A 45 0.064 -7.776 -0.573 1.00 0.00 C ATOM 703 CG GLU A 45 0.515 -8.341 -1.911 1.00 0.00 C ATOM 704 CD GLU A 45 1.092 -9.737 -1.788 1.00 0.00 C ATOM 705 OE1 GLU A 45 0.308 -10.686 -1.575 1.00 0.00 O ATOM 706 OE2 GLU A 45 2.326 -9.883 -1.907 1.00 0.00 O ATOM 0 H GLU A 45 -1.784 -6.241 0.949 1.00 0.00 H new ATOM 0 HA GLU A 45 0.402 -5.696 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.893 -7.833 0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.736 -8.401 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.332 -8.361 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.263 -7.679 -2.347 1.00 0.00 H new ATOM 713 N GLY A 46 -1.367 -5.338 -2.657 1.00 0.00 N ATOM 714 CA GLY A 46 -2.385 -5.139 -3.674 1.00 0.00 C ATOM 715 C GLY A 46 -1.852 -5.326 -5.081 1.00 0.00 C ATOM 716 O GLY A 46 -0.712 -5.750 -5.270 1.00 0.00 O ATOM 0 H GLY A 46 -0.528 -4.770 -2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.204 -5.838 -3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.798 -4.135 -3.577 1.00 0.00 H new ATOM 720 N THR A 47 -2.683 -5.009 -6.071 1.00 0.00 N ATOM 721 CA THR A 47 -2.296 -5.146 -7.469 1.00 0.00 C ATOM 722 C THR A 47 -2.531 -3.849 -8.239 1.00 0.00 C ATOM 723 O THR A 47 -3.465 -3.101 -7.948 1.00 0.00 O ATOM 724 CB THR A 47 -3.071 -6.288 -8.154 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.823 -7.524 -7.474 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.670 -6.423 -9.617 1.00 0.00 C ATOM 0 H THR A 47 -3.629 -4.655 -5.929 1.00 0.00 H new ATOM 0 HA THR A 47 -1.231 -5.380 -7.481 1.00 0.00 H new ATOM 0 HB THR A 47 -4.134 -6.050 -8.107 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.320 -8.245 -7.914 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.233 -7.236 -10.075 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.886 -5.492 -10.141 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.603 -6.637 -9.684 1.00 0.00 H new ATOM 734 N LEU A 48 -1.672 -3.593 -9.220 1.00 0.00 N ATOM 735 CA LEU A 48 -1.773 -2.394 -10.042 1.00 0.00 C ATOM 736 C LEU A 48 -1.226 -2.662 -11.443 1.00 0.00 C ATOM 737 O LEU A 48 -0.511 -3.640 -11.660 1.00 0.00 O ATOM 738 CB LEU A 48 -1.017 -1.234 -9.388 1.00 0.00 C ATOM 739 CG LEU A 48 -1.188 0.127 -10.069 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.653 0.536 -10.097 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.356 1.184 -9.358 1.00 0.00 C ATOM 0 H LEU A 48 -0.894 -4.205 -9.466 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.824 -2.119 -10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.345 -1.147 -8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.045 -1.480 -9.367 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.837 0.041 -11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.751 1.506 -10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.228 -0.208 -10.649 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.031 0.603 -9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.488 2.146 -9.854 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.679 1.264 -8.320 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.696 0.901 -9.390 1.00 0.00 H new ATOM 753 N ASN A 49 -1.573 -1.795 -12.388 1.00 0.00 N ATOM 754 CA ASN A 49 -1.120 -1.945 -13.768 1.00 0.00 C ATOM 755 C ASN A 49 0.404 -1.998 -13.852 1.00 0.00 C ATOM 756 O ASN A 49 1.088 -0.999 -13.627 1.00 0.00 O ATOM 757 CB ASN A 49 -1.656 -0.800 -14.630 1.00 0.00 C ATOM 758 CG ASN A 49 -1.376 0.563 -14.028 1.00 0.00 C ATOM 759 OD1 ASN A 49 -2.152 1.067 -13.216 1.00 0.00 O ATOM 760 ND2 ASN A 49 -0.266 1.173 -14.430 1.00 0.00 N ATOM 0 H ASN A 49 -2.166 -0.981 -12.225 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.510 -2.890 -14.146 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.206 -0.855 -15.621 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.731 -0.921 -14.761 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.029 2.095 -14.064 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.350 0.719 -15.105 1.00 0.00 H new ATOM 767 N GLY A 50 0.928 -3.179 -14.173 1.00 0.00 N ATOM 768 CA GLY A 50 2.365 -3.354 -14.291 1.00 0.00 C ATOM 769 C GLY A 50 3.095 -3.159 -12.975 1.00 0.00 C ATOM 770 O GLY A 50 4.324 -3.093 -12.947 1.00 0.00 O ATOM 0 H GLY A 50 0.380 -4.020 -14.354 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.574 -4.354 -14.672 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.753 -2.647 -15.024 1.00 0.00 H new ATOM 774 N ARG A 51 2.340 -3.064 -11.887 1.00 0.00 N ATOM 775 CA ARG A 51 2.924 -2.879 -10.563 1.00 0.00 C ATOM 776 C ARG A 51 2.282 -3.818 -9.546 1.00 0.00 C ATOM 777 O ARG A 51 1.090 -3.712 -9.256 1.00 0.00 O ATOM 778 CB ARG A 51 2.763 -1.425 -10.112 1.00 0.00 C ATOM 779 CG ARG A 51 3.595 -0.442 -10.919 1.00 0.00 C ATOM 780 CD ARG A 51 3.284 0.997 -10.540 1.00 0.00 C ATOM 781 NE ARG A 51 4.143 1.947 -11.242 1.00 0.00 N ATOM 782 CZ ARG A 51 4.218 3.240 -10.937 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.483 3.736 -9.950 1.00 0.00 N ATOM 784 NH2 ARG A 51 5.028 4.037 -11.619 1.00 0.00 N ATOM 0 H ARG A 51 1.321 -3.112 -11.895 1.00 0.00 H new ATOM 0 HA ARG A 51 3.986 -3.117 -10.624 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.712 -1.145 -10.186 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.041 -1.346 -9.061 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.654 -0.641 -10.756 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.403 -0.589 -11.982 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.241 1.214 -10.769 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.408 1.123 -9.464 1.00 0.00 H new ATOM 0 HE ARG A 51 4.718 1.600 -12.010 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.858 3.126 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.543 4.728 -9.718 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.595 3.659 -12.378 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.085 5.028 -11.384 1.00 0.00 H new ATOM 798 N THR A 52 3.079 -4.736 -9.007 1.00 0.00 N ATOM 799 CA THR A 52 2.589 -5.693 -8.021 1.00 0.00 C ATOM 800 C THR A 52 3.544 -5.793 -6.836 1.00 0.00 C ATOM 801 O THR A 52 4.762 -5.725 -7.000 1.00 0.00 O ATOM 802 CB THR A 52 2.408 -7.096 -8.636 1.00 0.00 C ATOM 803 OG1 THR A 52 1.584 -7.018 -9.804 1.00 0.00 O ATOM 804 CG2 THR A 52 1.779 -8.051 -7.630 1.00 0.00 C ATOM 0 H THR A 52 4.068 -4.837 -9.237 1.00 0.00 H new ATOM 0 HA THR A 52 1.621 -5.327 -7.680 1.00 0.00 H new ATOM 0 HB THR A 52 3.392 -7.477 -8.911 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.476 -7.913 -10.188 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.661 -9.034 -8.086 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.422 -8.132 -6.754 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.803 -7.671 -7.329 1.00 0.00 H new ATOM 812 N GLY A 53 2.979 -5.954 -5.644 1.00 0.00 N ATOM 813 CA GLY A 53 3.792 -6.059 -4.447 1.00 0.00 C ATOM 814 C GLY A 53 3.117 -5.446 -3.237 1.00 0.00 C ATOM 815 O GLY A 53 1.927 -5.133 -3.274 1.00 0.00 O ATOM 0 H GLY A 53 1.973 -6.014 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.007 -7.109 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.749 -5.565 -4.616 1.00 0.00 H new ATOM 819 N TRP A 54 3.879 -5.276 -2.164 1.00 0.00 N ATOM 820 CA TRP A 54 3.350 -4.697 -0.936 1.00 0.00 C ATOM 821 C TRP A 54 3.300 -3.176 -1.028 1.00 0.00 C ATOM 822 O TRP A 54 4.041 -2.565 -1.797 1.00 0.00 O ATOM 823 CB TRP A 54 4.206 -5.118 0.261 1.00 0.00 C ATOM 824 CG TRP A 54 4.319 -6.604 0.416 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.215 -7.428 -0.203 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.509 -7.443 1.248 1.00 0.00 C ATOM 827 NE1 TRP A 54 5.009 -8.729 0.190 1.00 0.00 N ATOM 828 CE2 TRP A 54 3.967 -8.764 1.081 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.441 -7.206 2.118 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.393 -9.842 1.751 1.00 0.00 C ATOM 831 CZ3 TRP A 54 1.872 -8.276 2.782 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.349 -9.579 2.596 1.00 0.00 C ATOM 0 H TRP A 54 4.866 -5.531 -2.119 1.00 0.00 H new ATOM 0 HA TRP A 54 2.335 -5.068 -0.798 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.204 -4.694 0.152 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.778 -4.696 1.171 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.974 -7.105 -0.900 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.544 -9.537 -0.129 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.067 -6.204 2.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.758 -10.848 1.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.046 -8.104 3.456 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.883 -10.394 3.131 1.00 0.00 H new ATOM 843 N PHE A 55 2.421 -2.570 -0.235 1.00 0.00 N ATOM 844 CA PHE A 55 2.276 -1.120 -0.217 1.00 0.00 C ATOM 845 C PHE A 55 1.845 -0.645 1.172 1.00 0.00 C ATOM 846 O PHE A 55 1.003 -1.274 1.812 1.00 0.00 O ATOM 847 CB PHE A 55 1.262 -0.664 -1.273 1.00 0.00 C ATOM 848 CG PHE A 55 -0.153 -1.088 -0.988 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.583 -2.369 -1.293 1.00 0.00 C ATOM 850 CD2 PHE A 55 -1.052 -0.201 -0.418 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.884 -2.757 -1.034 1.00 0.00 C ATOM 852 CE2 PHE A 55 -2.354 -0.582 -0.158 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.771 -1.863 -0.466 1.00 0.00 C ATOM 0 H PHE A 55 1.798 -3.063 0.404 1.00 0.00 H new ATOM 0 HA PHE A 55 3.243 -0.676 -0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.296 0.423 -1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.561 -1.061 -2.243 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.106 -3.072 -1.738 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.731 0.801 -0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.207 -3.759 -1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.045 0.120 0.285 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.788 -2.165 -0.263 1.00 0.00 H new ATOM 863 N PRO A 56 2.425 0.468 1.662 1.00 0.00 N ATOM 864 CA PRO A 56 2.093 1.014 2.984 1.00 0.00 C ATOM 865 C PRO A 56 0.593 1.206 3.174 1.00 0.00 C ATOM 866 O PRO A 56 -0.167 1.217 2.207 1.00 0.00 O ATOM 867 CB PRO A 56 2.813 2.364 3.005 1.00 0.00 C ATOM 868 CG PRO A 56 3.941 2.206 2.046 1.00 0.00 C ATOM 869 CD PRO A 56 3.444 1.283 0.970 1.00 0.00 C ATOM 0 HA PRO A 56 2.396 0.343 3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.147 3.173 2.703 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.174 2.605 4.005 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.236 3.169 1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.819 1.791 2.541 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.016 1.835 0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.247 0.666 0.568 1.00 0.00 H new ATOM 877 N SER A 57 0.175 1.357 4.427 1.00 0.00 N ATOM 878 CA SER A 57 -1.235 1.552 4.747 1.00 0.00 C ATOM 879 C SER A 57 -1.469 2.950 5.304 1.00 0.00 C ATOM 880 O SER A 57 -2.562 3.502 5.184 1.00 0.00 O ATOM 881 CB SER A 57 -1.702 0.502 5.756 1.00 0.00 C ATOM 882 OG SER A 57 -1.433 -0.809 5.291 1.00 0.00 O ATOM 0 H SER A 57 0.793 1.348 5.238 1.00 0.00 H new ATOM 0 HA SER A 57 -1.813 1.441 3.829 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.201 0.662 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.771 0.615 5.935 1.00 0.00 H new ATOM 0 HG SER A 57 -2.262 -1.217 4.964 1.00 0.00 H new ATOM 888 N ASN A 58 -0.433 3.514 5.915 1.00 0.00 N ATOM 889 CA ASN A 58 -0.520 4.853 6.489 1.00 0.00 C ATOM 890 C ASN A 58 -0.303 5.923 5.421 1.00 0.00 C ATOM 891 O ASN A 58 -0.627 7.092 5.627 1.00 0.00 O ATOM 892 CB ASN A 58 0.509 5.019 7.609 1.00 0.00 C ATOM 893 CG ASN A 58 0.265 4.070 8.766 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.770 2.948 8.779 1.00 0.00 O ATOM 895 ND2 ASN A 58 -0.513 4.517 9.745 1.00 0.00 N ATOM 0 H ASN A 58 0.476 3.066 6.026 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.521 4.977 6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.508 4.849 7.208 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.482 6.046 7.974 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.713 3.923 10.549 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.911 5.455 9.693 1.00 0.00 H new ATOM 902 N TYR A 59 0.248 5.515 4.280 1.00 0.00 N ATOM 903 CA TYR A 59 0.500 6.440 3.178 1.00 0.00 C ATOM 904 C TYR A 59 -0.667 6.434 2.194 1.00 0.00 C ATOM 905 O TYR A 59 -0.738 7.267 1.292 1.00 0.00 O ATOM 906 CB TYR A 59 1.799 6.070 2.457 1.00 0.00 C ATOM 907 CG TYR A 59 2.888 7.110 2.597 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.303 7.546 3.849 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.499 7.657 1.476 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.296 8.497 3.980 1.00 0.00 C ATOM 911 CE2 TYR A 59 4.495 8.607 1.599 1.00 0.00 C ATOM 912 CZ TYR A 59 4.889 9.024 2.854 1.00 0.00 C ATOM 913 OH TYR A 59 5.880 9.971 2.982 1.00 0.00 O ATOM 0 H TYR A 59 0.528 4.552 4.095 1.00 0.00 H new ATOM 0 HA TYR A 59 0.601 7.444 3.590 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.163 5.120 2.848 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.587 5.919 1.399 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.842 7.135 4.735 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.191 7.335 0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.606 8.826 4.961 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.962 9.021 0.718 1.00 0.00 H new ATOM 0 HH TYR A 59 6.194 10.238 2.093 1.00 0.00 H new ATOM 923 N VAL A 60 -1.577 5.483 2.381 1.00 0.00 N ATOM 924 CA VAL A 60 -2.749 5.357 1.524 1.00 0.00 C ATOM 925 C VAL A 60 -4.028 5.350 2.359 1.00 0.00 C ATOM 926 O VAL A 60 -3.995 5.044 3.551 1.00 0.00 O ATOM 927 CB VAL A 60 -2.684 4.073 0.675 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.518 4.134 -0.298 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.575 2.846 1.568 1.00 0.00 C ATOM 0 H VAL A 60 -1.524 4.785 3.123 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.759 6.218 0.855 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.606 3.995 0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.489 3.218 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.642 4.990 -0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.586 4.238 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.530 1.949 0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.671 2.915 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.446 2.793 2.222 1.00 0.00 H new ATOM 939 N ARG A 61 -5.152 5.690 1.734 1.00 0.00 N ATOM 940 CA ARG A 61 -6.434 5.721 2.434 1.00 0.00 C ATOM 941 C ARG A 61 -7.549 5.134 1.576 1.00 0.00 C ATOM 942 O ARG A 61 -7.581 5.330 0.362 1.00 0.00 O ATOM 943 CB ARG A 61 -6.788 7.153 2.840 1.00 0.00 C ATOM 944 CG ARG A 61 -6.074 7.620 4.096 1.00 0.00 C ATOM 945 CD ARG A 61 -6.482 9.035 4.478 1.00 0.00 C ATOM 946 NE ARG A 61 -5.891 9.451 5.747 1.00 0.00 N ATOM 947 CZ ARG A 61 -6.309 10.503 6.445 1.00 0.00 C ATOM 948 NH1 ARG A 61 -7.313 11.245 5.997 1.00 0.00 N ATOM 949 NH2 ARG A 61 -5.724 10.812 7.594 1.00 0.00 N ATOM 0 H ARG A 61 -5.202 5.947 0.748 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.335 5.109 3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.541 7.827 2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.864 7.222 2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.300 6.941 4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.996 7.581 3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.176 9.725 3.692 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.568 9.093 4.548 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.114 8.904 6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.767 11.009 5.115 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.631 12.051 6.535 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.953 10.243 7.943 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.045 11.619 8.129 1.00 0.00 H new ATOM 963 N GLU A 62 -8.460 4.410 2.223 1.00 0.00 N ATOM 964 CA GLU A 62 -9.584 3.787 1.533 1.00 0.00 C ATOM 965 C GLU A 62 -10.367 4.817 0.724 1.00 0.00 C ATOM 966 O GLU A 62 -10.856 5.807 1.269 1.00 0.00 O ATOM 967 CB GLU A 62 -10.509 3.103 2.541 1.00 0.00 C ATOM 968 CG GLU A 62 -11.716 2.432 1.907 1.00 0.00 C ATOM 969 CD GLU A 62 -12.614 1.764 2.930 1.00 0.00 C ATOM 970 OE1 GLU A 62 -13.501 2.452 3.478 1.00 0.00 O ATOM 971 OE2 GLU A 62 -12.431 0.555 3.184 1.00 0.00 O ATOM 0 H GLU A 62 -8.440 4.241 3.229 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.188 3.039 0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.939 2.357 3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.854 3.842 3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.291 3.174 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.377 1.689 1.186 1.00 0.00 H new ATOM 978 N VAL A 63 -10.480 4.576 -0.577 1.00 0.00 N ATOM 979 CA VAL A 63 -11.203 5.481 -1.461 1.00 0.00 C ATOM 980 C VAL A 63 -12.560 4.907 -1.860 1.00 0.00 C ATOM 981 O VAL A 63 -12.657 3.762 -2.304 1.00 0.00 O ATOM 982 CB VAL A 63 -10.385 5.789 -2.731 1.00 0.00 C ATOM 983 CG1 VAL A 63 -10.022 4.506 -3.465 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.146 6.737 -3.646 1.00 0.00 C ATOM 0 H VAL A 63 -10.080 3.761 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.363 6.406 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.460 6.279 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.445 4.748 -4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.428 3.868 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.933 3.981 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.550 6.941 -4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.091 6.280 -3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.343 7.671 -3.120 1.00 0.00 H new ATOM 994 N LYS A 64 -13.606 5.711 -1.692 1.00 0.00 N ATOM 995 CA LYS A 64 -14.960 5.290 -2.037 1.00 0.00 C ATOM 996 C LYS A 64 -15.822 6.490 -2.410 1.00 0.00 C ATOM 997 O LYS A 64 -15.436 7.637 -2.184 1.00 0.00 O ATOM 998 CB LYS A 64 -15.596 4.528 -0.873 1.00 0.00 C ATOM 999 CG LYS A 64 -15.661 5.325 0.419 1.00 0.00 C ATOM 1000 CD LYS A 64 -16.207 4.484 1.561 1.00 0.00 C ATOM 1001 CE LYS A 64 -16.244 5.267 2.864 1.00 0.00 C ATOM 1002 NZ LYS A 64 -16.721 4.431 4.000 1.00 0.00 N ATOM 0 H LYS A 64 -13.542 6.658 -1.319 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.899 4.627 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -16.605 4.228 -1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.030 3.614 -0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.666 5.687 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.293 6.202 0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.212 4.141 1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.589 3.595 1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.247 5.648 3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.898 6.132 2.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.732 5.001 4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.682 4.088 3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.083 3.620 4.126 1.00 0.00 H new ATOM 1016 N ALA A 65 -16.994 6.217 -2.982 1.00 0.00 N ATOM 1017 CA ALA A 65 -17.917 7.270 -3.391 1.00 0.00 C ATOM 1018 C ALA A 65 -17.241 8.259 -4.335 1.00 0.00 C ATOM 1019 O ALA A 65 -17.219 7.990 -5.554 1.00 0.00 O ATOM 1020 CB ALA A 65 -18.469 7.993 -2.170 1.00 0.00 C ATOM 1021 OXT ALA A 65 -16.739 9.296 -3.848 1.00 0.00 O ATOM 0 H ALA A 65 -17.326 5.271 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.744 6.805 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.156 8.776 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.999 7.283 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.648 8.439 -1.609 1.00 0.00 H new TER 1027 ALA A 65 ATOM 1028 N ASP B 183 -7.833 18.277 10.195 1.00 0.00 N ATOM 1029 CA ASP B 183 -6.358 18.114 10.106 1.00 0.00 C ATOM 1030 C ASP B 183 -5.990 17.014 9.116 1.00 0.00 C ATOM 1031 O ASP B 183 -6.706 16.022 8.980 1.00 0.00 O ATOM 1032 CB ASP B 183 -5.781 17.782 11.484 1.00 0.00 C ATOM 1033 CG ASP B 183 -6.082 18.855 12.512 1.00 0.00 C ATOM 1034 OD1 ASP B 183 -5.311 19.835 12.588 1.00 0.00 O ATOM 1035 OD2 ASP B 183 -7.087 18.715 13.239 1.00 0.00 O ATOM 0 HA ASP B 183 -5.934 19.054 9.753 1.00 0.00 H new ATOM 0 HB2 ASP B 183 -6.189 16.831 11.826 1.00 0.00 H new ATOM 0 HB3 ASP B 183 -4.702 17.655 11.402 1.00 0.00 H new ATOM 1042 N ALA B 184 -4.869 17.200 8.426 1.00 0.00 N ATOM 1043 CA ALA B 184 -4.401 16.224 7.449 1.00 0.00 C ATOM 1044 C ALA B 184 -2.928 15.898 7.670 1.00 0.00 C ATOM 1045 O ALA B 184 -2.273 16.499 8.522 1.00 0.00 O ATOM 1046 CB ALA B 184 -4.625 16.740 6.035 1.00 0.00 C ATOM 0 H ALA B 184 -4.268 18.018 8.526 1.00 0.00 H new ATOM 0 HA ALA B 184 -4.976 15.307 7.581 1.00 0.00 H new ATOM 0 HB1 ALA B 184 -4.271 16.000 5.317 1.00 0.00 H new ATOM 0 HB2 ALA B 184 -5.689 16.918 5.877 1.00 0.00 H new ATOM 0 HB3 ALA B 184 -4.076 17.672 5.897 1.00 0.00 H new ATOM 1052 N THR B 185 -2.414 14.944 6.898 1.00 0.00 N ATOM 1053 CA THR B 185 -1.019 14.534 7.006 1.00 0.00 C ATOM 1054 C THR B 185 -0.690 14.063 8.424 1.00 0.00 C ATOM 1055 O THR B 185 -0.300 14.863 9.274 1.00 0.00 O ATOM 1056 CB THR B 185 -0.062 15.681 6.623 1.00 0.00 C ATOM 1057 OG1 THR B 185 -0.380 16.166 5.313 1.00 0.00 O ATOM 1058 CG2 THR B 185 1.386 15.213 6.654 1.00 0.00 C ATOM 0 H THR B 185 -2.946 14.440 6.189 1.00 0.00 H new ATOM 0 HA THR B 185 -0.879 13.707 6.309 1.00 0.00 H new ATOM 0 HB THR B 185 -0.185 16.484 7.350 1.00 0.00 H new ATOM 0 HG1 THR B 185 0.231 16.895 5.077 1.00 0.00 H new ATOM 0 HG21 THR B 185 2.042 16.040 6.380 1.00 0.00 H new ATOM 0 HG22 THR B 185 1.636 14.869 7.658 1.00 0.00 H new ATOM 0 HG23 THR B 185 1.519 14.395 5.946 1.00 0.00 H new ATOM 1066 N PRO B 186 -0.851 12.754 8.701 1.00 0.00 N ATOM 1067 CA PRO B 186 -0.566 12.189 10.025 1.00 0.00 C ATOM 1068 C PRO B 186 0.924 12.242 10.367 1.00 0.00 C ATOM 1069 O PRO B 186 1.769 12.114 9.482 1.00 0.00 O ATOM 1070 CB PRO B 186 -1.034 10.736 9.902 1.00 0.00 C ATOM 1071 CG PRO B 186 -0.969 10.440 8.445 1.00 0.00 C ATOM 1072 CD PRO B 186 -1.323 11.726 7.754 1.00 0.00 C ATOM 0 HA PRO B 186 -1.063 12.744 10.821 1.00 0.00 H new ATOM 0 HB2 PRO B 186 -0.392 10.064 10.472 1.00 0.00 H new ATOM 0 HB3 PRO B 186 -2.046 10.612 10.286 1.00 0.00 H new ATOM 0 HG2 PRO B 186 0.027 10.102 8.158 1.00 0.00 H new ATOM 0 HG3 PRO B 186 -1.665 9.646 8.175 1.00 0.00 H new ATOM 0 HD2 PRO B 186 -0.830 11.813 6.786 1.00 0.00 H new ATOM 0 HD3 PRO B 186 -2.395 11.805 7.574 1.00 0.00 H new ATOM 1080 N PRO B 187 1.265 12.436 11.658 1.00 0.00 N ATOM 1081 CA PRO B 187 2.663 12.502 12.103 1.00 0.00 C ATOM 1082 C PRO B 187 3.518 11.329 11.602 1.00 0.00 C ATOM 1083 O PRO B 187 4.616 11.548 11.089 1.00 0.00 O ATOM 1084 CB PRO B 187 2.556 12.484 13.630 1.00 0.00 C ATOM 1085 CG PRO B 187 1.208 13.047 13.921 1.00 0.00 C ATOM 1086 CD PRO B 187 0.322 12.623 12.780 1.00 0.00 C ATOM 0 HA PRO B 187 3.164 13.385 11.707 1.00 0.00 H new ATOM 0 HB2 PRO B 187 2.656 11.472 14.022 1.00 0.00 H new ATOM 0 HB3 PRO B 187 3.343 13.083 14.089 1.00 0.00 H new ATOM 0 HG2 PRO B 187 0.826 12.672 14.871 1.00 0.00 H new ATOM 0 HG3 PRO B 187 1.248 14.133 14.000 1.00 0.00 H new ATOM 0 HD2 PRO B 187 -0.215 11.703 13.010 1.00 0.00 H new ATOM 0 HD3 PRO B 187 -0.428 13.381 12.552 1.00 0.00 H new ATOM 1094 N PRO B 188 3.044 10.067 11.733 1.00 0.00 N ATOM 1095 CA PRO B 188 3.810 8.900 11.282 1.00 0.00 C ATOM 1096 C PRO B 188 3.814 8.759 9.763 1.00 0.00 C ATOM 1097 O PRO B 188 2.760 8.639 9.138 1.00 0.00 O ATOM 1098 CB PRO B 188 3.074 7.724 11.924 1.00 0.00 C ATOM 1099 CG PRO B 188 1.668 8.192 12.057 1.00 0.00 C ATOM 1100 CD PRO B 188 1.745 9.671 12.320 1.00 0.00 C ATOM 0 HA PRO B 188 4.861 8.970 11.564 1.00 0.00 H new ATOM 0 HB2 PRO B 188 3.138 6.830 11.304 1.00 0.00 H new ATOM 0 HB3 PRO B 188 3.501 7.470 12.894 1.00 0.00 H new ATOM 0 HG2 PRO B 188 1.101 7.986 11.149 1.00 0.00 H new ATOM 0 HG3 PRO B 188 1.161 7.677 12.873 1.00 0.00 H new ATOM 0 HD2 PRO B 188 0.916 10.204 11.854 1.00 0.00 H new ATOM 0 HD3 PRO B 188 1.705 9.890 13.387 1.00 0.00 H new ATOM 1108 N VAL B 189 5.007 8.774 9.175 1.00 0.00 N ATOM 1109 CA VAL B 189 5.151 8.642 7.731 1.00 0.00 C ATOM 1110 C VAL B 189 5.690 7.263 7.363 1.00 0.00 C ATOM 1111 O VAL B 189 6.696 6.813 7.914 1.00 0.00 O ATOM 1112 CB VAL B 189 6.084 9.725 7.153 1.00 0.00 C ATOM 1113 CG1 VAL B 189 5.455 11.103 7.290 1.00 0.00 C ATOM 1114 CG2 VAL B 189 7.443 9.684 7.836 1.00 0.00 C ATOM 0 H VAL B 189 5.888 8.876 9.678 1.00 0.00 H new ATOM 0 HA VAL B 189 4.159 8.770 7.298 1.00 0.00 H new ATOM 0 HB VAL B 189 6.230 9.520 6.092 1.00 0.00 H new ATOM 0 HG11 VAL B 189 6.129 11.853 6.876 1.00 0.00 H new ATOM 0 HG12 VAL B 189 4.509 11.127 6.749 1.00 0.00 H new ATOM 0 HG13 VAL B 189 5.275 11.318 8.343 1.00 0.00 H new ATOM 0 HG21 VAL B 189 8.086 10.456 7.413 1.00 0.00 H new ATOM 0 HG22 VAL B 189 7.319 9.860 8.904 1.00 0.00 H new ATOM 0 HG23 VAL B 189 7.899 8.706 7.680 1.00 0.00 H new ATOM 1124 N ILE B 190 5.009 6.598 6.432 1.00 0.00 N ATOM 1125 CA ILE B 190 5.406 5.266 5.982 1.00 0.00 C ATOM 1126 C ILE B 190 5.292 4.245 7.110 1.00 0.00 C ATOM 1127 O ILE B 190 5.713 4.499 8.239 1.00 0.00 O ATOM 1128 CB ILE B 190 6.846 5.252 5.430 1.00 0.00 C ATOM 1129 CG1 ILE B 190 7.004 6.310 4.335 1.00 0.00 C ATOM 1130 CG2 ILE B 190 7.196 3.869 4.893 1.00 0.00 C ATOM 1131 CD1 ILE B 190 8.428 6.467 3.844 1.00 0.00 C ATOM 0 H ILE B 190 4.175 6.963 5.972 1.00 0.00 H new ATOM 0 HA ILE B 190 4.722 4.994 5.178 1.00 0.00 H new ATOM 0 HB ILE B 190 7.534 5.489 6.242 1.00 0.00 H new ATOM 0 HG12 ILE B 190 6.365 6.047 3.492 1.00 0.00 H new ATOM 0 HG13 ILE B 190 6.652 7.269 4.715 1.00 0.00 H new ATOM 0 HG21 ILE B 190 8.215 3.876 4.507 1.00 0.00 H new ATOM 0 HG22 ILE B 190 7.117 3.136 5.696 1.00 0.00 H new ATOM 0 HG23 ILE B 190 6.506 3.605 4.091 1.00 0.00 H new ATOM 0 HD11 ILE B 190 8.463 7.233 3.070 1.00 0.00 H new ATOM 0 HD12 ILE B 190 9.069 6.761 4.675 1.00 0.00 H new ATOM 0 HD13 ILE B 190 8.778 5.520 3.434 1.00 0.00 H new ATOM 1143 N ALA B 191 4.719 3.089 6.795 1.00 0.00 N ATOM 1144 CA ALA B 191 4.545 2.027 7.778 1.00 0.00 C ATOM 1145 C ALA B 191 5.882 1.611 8.387 1.00 0.00 C ATOM 1146 O ALA B 191 6.934 1.792 7.772 1.00 0.00 O ATOM 1147 CB ALA B 191 3.858 0.832 7.140 1.00 0.00 C ATOM 0 H ALA B 191 4.367 2.863 5.865 1.00 0.00 H new ATOM 0 HA ALA B 191 3.917 2.409 8.583 1.00 0.00 H new ATOM 0 HB1 ALA B 191 3.733 0.045 7.883 1.00 0.00 H new ATOM 0 HB2 ALA B 191 2.881 1.133 6.762 1.00 0.00 H new ATOM 0 HB3 ALA B 191 4.466 0.460 6.316 1.00 0.00 H new ATOM 1153 N PRO B 192 5.859 1.043 9.610 1.00 0.00 N ATOM 1154 CA PRO B 192 7.075 0.600 10.300 1.00 0.00 C ATOM 1155 C PRO B 192 7.944 -0.305 9.432 1.00 0.00 C ATOM 1156 O PRO B 192 7.451 -1.241 8.803 1.00 0.00 O ATOM 1157 CB PRO B 192 6.538 -0.173 11.506 1.00 0.00 C ATOM 1158 CG PRO B 192 5.193 0.409 11.762 1.00 0.00 C ATOM 1159 CD PRO B 192 4.646 0.795 10.416 1.00 0.00 C ATOM 0 HA PRO B 192 7.718 1.439 10.565 1.00 0.00 H new ATOM 0 HB2 PRO B 192 6.473 -1.240 11.295 1.00 0.00 H new ATOM 0 HB3 PRO B 192 7.190 -0.058 12.372 1.00 0.00 H new ATOM 0 HG2 PRO B 192 4.543 -0.313 12.255 1.00 0.00 H new ATOM 0 HG3 PRO B 192 5.262 1.276 12.419 1.00 0.00 H new ATOM 0 HD2 PRO B 192 4.035 0.000 9.988 1.00 0.00 H new ATOM 0 HD3 PRO B 192 4.017 1.683 10.478 1.00 0.00 H new ATOM 1167 N ARG B 193 9.241 -0.017 9.405 1.00 0.00 N ATOM 1168 CA ARG B 193 10.188 -0.801 8.620 1.00 0.00 C ATOM 1169 C ARG B 193 11.377 -1.233 9.479 1.00 0.00 C ATOM 1170 O ARG B 193 12.455 -0.639 9.408 1.00 0.00 O ATOM 1171 CB ARG B 193 10.667 0.008 7.409 1.00 0.00 C ATOM 1172 CG ARG B 193 11.102 1.423 7.757 1.00 0.00 C ATOM 1173 CD ARG B 193 11.358 2.252 6.509 1.00 0.00 C ATOM 1174 NE ARG B 193 12.382 1.660 5.652 1.00 0.00 N ATOM 1175 CZ ARG B 193 12.848 2.242 4.551 1.00 0.00 C ATOM 1176 NH1 ARG B 193 12.386 3.429 4.180 1.00 0.00 N ATOM 1177 NH2 ARG B 193 13.776 1.640 3.820 1.00 0.00 N ATOM 0 H ARG B 193 9.662 0.757 9.920 1.00 0.00 H new ATOM 0 HA ARG B 193 9.682 -1.699 8.264 1.00 0.00 H new ATOM 0 HB2 ARG B 193 11.501 -0.515 6.940 1.00 0.00 H new ATOM 0 HB3 ARG B 193 9.865 0.054 6.673 1.00 0.00 H new ATOM 0 HG2 ARG B 193 10.332 1.903 8.362 1.00 0.00 H new ATOM 0 HG3 ARG B 193 12.007 1.387 8.363 1.00 0.00 H new ATOM 0 HD2 ARG B 193 10.430 2.354 5.946 1.00 0.00 H new ATOM 0 HD3 ARG B 193 11.666 3.256 6.799 1.00 0.00 H new ATOM 0 HE ARG B 193 12.761 0.749 5.913 1.00 0.00 H new ATOM 0 HH11 ARG B 193 11.673 3.896 4.740 1.00 0.00 H new ATOM 0 HH12 ARG B 193 12.744 3.874 3.335 1.00 0.00 H new ATOM 0 HH21 ARG B 193 14.135 0.728 4.102 1.00 0.00 H new ATOM 0 HH22 ARG B 193 14.131 2.089 2.976 1.00 0.00 H new ATOM 1191 N PRO B 194 11.193 -2.274 10.313 1.00 0.00 N ATOM 1192 CA PRO B 194 12.251 -2.783 11.190 1.00 0.00 C ATOM 1193 C PRO B 194 13.241 -3.677 10.452 1.00 0.00 C ATOM 1194 O PRO B 194 13.217 -3.769 9.225 1.00 0.00 O ATOM 1195 CB PRO B 194 11.473 -3.588 12.227 1.00 0.00 C ATOM 1196 CG PRO B 194 10.281 -4.093 11.489 1.00 0.00 C ATOM 1197 CD PRO B 194 9.937 -3.037 10.469 1.00 0.00 C ATOM 0 HA PRO B 194 12.859 -1.982 11.611 1.00 0.00 H new ATOM 0 HB2 PRO B 194 12.071 -4.408 12.623 1.00 0.00 H new ATOM 0 HB3 PRO B 194 11.182 -2.967 13.074 1.00 0.00 H new ATOM 0 HG2 PRO B 194 10.498 -5.045 11.005 1.00 0.00 H new ATOM 0 HG3 PRO B 194 9.446 -4.264 12.169 1.00 0.00 H new ATOM 0 HD2 PRO B 194 9.619 -3.481 9.526 1.00 0.00 H new ATOM 0 HD3 PRO B 194 9.122 -2.400 10.812 1.00 0.00 H new ATOM 1205 N GLU B 195 14.113 -4.333 11.212 1.00 0.00 N ATOM 1206 CA GLU B 195 15.114 -5.223 10.636 1.00 0.00 C ATOM 1207 C GLU B 195 14.458 -6.445 10.000 1.00 0.00 C ATOM 1208 O GLU B 195 15.081 -7.157 9.213 1.00 0.00 O ATOM 1209 CB GLU B 195 16.112 -5.664 11.708 1.00 0.00 C ATOM 1210 CG GLU B 195 15.462 -6.341 12.906 1.00 0.00 C ATOM 1211 CD GLU B 195 16.470 -6.752 13.961 1.00 0.00 C ATOM 1212 OE1 GLU B 195 16.801 -5.912 14.825 1.00 0.00 O ATOM 1213 OE2 GLU B 195 16.929 -7.913 13.926 1.00 0.00 O ATOM 0 H GLU B 195 14.146 -4.264 12.229 1.00 0.00 H new ATOM 0 HA GLU B 195 15.645 -4.675 9.858 1.00 0.00 H new ATOM 0 HB2 GLU B 195 16.833 -6.349 11.261 1.00 0.00 H new ATOM 0 HB3 GLU B 195 16.671 -4.794 12.052 1.00 0.00 H new ATOM 0 HG2 GLU B 195 14.733 -5.664 13.350 1.00 0.00 H new ATOM 0 HG3 GLU B 195 14.915 -7.221 12.569 1.00 0.00 H new ATOM 1220 N HIS B 196 13.196 -6.682 10.350 1.00 0.00 N ATOM 1221 CA HIS B 196 12.454 -7.819 9.813 1.00 0.00 C ATOM 1222 C HIS B 196 12.195 -7.642 8.320 1.00 0.00 C ATOM 1223 O HIS B 196 12.318 -6.540 7.785 1.00 0.00 O ATOM 1224 CB HIS B 196 11.128 -7.988 10.554 1.00 0.00 C ATOM 1225 CG HIS B 196 11.288 -8.239 12.022 1.00 0.00 C ATOM 1226 ND1 HIS B 196 11.300 -9.504 12.573 1.00 0.00 N ATOM 1227 CD2 HIS B 196 11.448 -7.380 13.056 1.00 0.00 C ATOM 1228 CE1 HIS B 196 11.458 -9.411 13.881 1.00 0.00 C ATOM 1229 NE2 HIS B 196 11.550 -8.134 14.199 1.00 0.00 N ATOM 0 H HIS B 196 12.667 -6.103 11.002 1.00 0.00 H new ATOM 0 HA HIS B 196 13.058 -8.715 9.957 1.00 0.00 H new ATOM 0 HB2 HIS B 196 10.525 -7.091 10.411 1.00 0.00 H new ATOM 0 HB3 HIS B 196 10.577 -8.817 10.110 1.00 0.00 H new ATOM 0 HD2 HIS B 196 11.488 -6.303 12.994 1.00 0.00 H new ATOM 0 HE1 HIS B 196 11.504 -10.239 14.572 1.00 0.00 H new ATOM 0 HE2 HIS B 196 11.677 -7.766 15.142 1.00 0.00 H new ATOM 1238 N THR B 197 11.832 -8.735 7.655 1.00 0.00 N ATOM 1239 CA THR B 197 11.554 -8.703 6.224 1.00 0.00 C ATOM 1240 C THR B 197 10.273 -7.929 5.928 1.00 0.00 C ATOM 1241 O THR B 197 9.170 -8.456 6.069 1.00 0.00 O ATOM 1242 CB THR B 197 11.429 -10.125 5.643 1.00 0.00 C ATOM 1243 OG1 THR B 197 10.376 -10.836 6.305 1.00 0.00 O ATOM 1244 CG2 THR B 197 12.735 -10.890 5.798 1.00 0.00 C ATOM 0 H THR B 197 11.724 -9.654 8.085 1.00 0.00 H new ATOM 0 HA THR B 197 12.396 -8.199 5.751 1.00 0.00 H new ATOM 0 HB THR B 197 11.198 -10.039 4.581 1.00 0.00 H new ATOM 0 HG1 THR B 197 9.606 -10.242 6.426 1.00 0.00 H new ATOM 0 HG21 THR B 197 12.622 -11.891 5.381 1.00 0.00 H new ATOM 0 HG22 THR B 197 13.530 -10.364 5.269 1.00 0.00 H new ATOM 0 HG23 THR B 197 12.990 -10.964 6.855 1.00 0.00 H new ATOM 1252 N LYS B 198 10.429 -6.674 5.519 1.00 0.00 N ATOM 1253 CA LYS B 198 9.288 -5.822 5.201 1.00 0.00 C ATOM 1254 C LYS B 198 9.576 -4.966 3.973 1.00 0.00 C ATOM 1255 O LYS B 198 8.756 -4.875 3.059 1.00 0.00 O ATOM 1256 CB LYS B 198 8.948 -4.925 6.393 1.00 0.00 C ATOM 1257 CG LYS B 198 8.570 -5.692 7.651 1.00 0.00 C ATOM 1258 CD LYS B 198 7.249 -6.428 7.484 1.00 0.00 C ATOM 1259 CE LYS B 198 6.901 -7.236 8.723 1.00 0.00 C ATOM 1260 NZ LYS B 198 7.922 -8.282 9.009 1.00 0.00 N ATOM 0 H LYS B 198 11.336 -6.223 5.400 1.00 0.00 H new ATOM 0 HA LYS B 198 8.435 -6.464 4.983 1.00 0.00 H new ATOM 0 HB2 LYS B 198 9.804 -4.287 6.611 1.00 0.00 H new ATOM 0 HB3 LYS B 198 8.123 -4.268 6.118 1.00 0.00 H new ATOM 0 HG2 LYS B 198 9.357 -6.407 7.892 1.00 0.00 H new ATOM 0 HG3 LYS B 198 8.498 -5.001 8.491 1.00 0.00 H new ATOM 0 HD2 LYS B 198 6.454 -5.710 7.282 1.00 0.00 H new ATOM 0 HD3 LYS B 198 7.307 -7.091 6.621 1.00 0.00 H new ATOM 0 HE2 LYS B 198 6.816 -6.568 9.580 1.00 0.00 H new ATOM 0 HE3 LYS B 198 5.927 -7.707 8.588 1.00 0.00 H new ATOM 0 HZ1 LYS B 198 7.447 -9.159 9.304 1.00 0.00 H new ATOM 0 HZ2 LYS B 198 8.482 -8.464 8.152 1.00 0.00 H new ATOM 0 HZ3 LYS B 198 8.550 -7.955 9.771 1.00 0.00 H new ATOM 1274 N SER B 199 10.748 -4.340 3.960 1.00 0.00 N ATOM 1275 CA SER B 199 11.155 -3.489 2.849 1.00 0.00 C ATOM 1276 C SER B 199 12.667 -3.283 2.857 1.00 0.00 C ATOM 1277 O SER B 199 13.164 -2.225 2.472 1.00 0.00 O ATOM 1278 CB SER B 199 10.441 -2.139 2.925 1.00 0.00 C ATOM 1279 OG SER B 199 10.747 -1.334 1.799 1.00 0.00 O ATOM 0 H SER B 199 11.435 -4.407 4.711 1.00 0.00 H new ATOM 0 HA SER B 199 10.876 -3.983 1.918 1.00 0.00 H new ATOM 0 HB2 SER B 199 9.364 -2.297 2.981 1.00 0.00 H new ATOM 0 HB3 SER B 199 10.735 -1.620 3.837 1.00 0.00 H new ATOM 0 HG SER B 199 11.716 -1.333 1.651 1.00 0.00 H new ATOM 1285 N VAL B 200 13.392 -4.310 3.292 1.00 0.00 N ATOM 1286 CA VAL B 200 14.841 -4.256 3.362 1.00 0.00 C ATOM 1287 C VAL B 200 15.440 -5.576 2.900 1.00 0.00 C ATOM 1288 O VAL B 200 14.934 -6.649 3.228 1.00 0.00 O ATOM 1289 CB VAL B 200 15.334 -3.950 4.790 1.00 0.00 C ATOM 1290 CG1 VAL B 200 16.829 -3.677 4.791 1.00 0.00 C ATOM 1291 CG2 VAL B 200 14.574 -2.774 5.384 1.00 0.00 C ATOM 0 H VAL B 200 12.991 -5.195 3.603 1.00 0.00 H new ATOM 0 HA VAL B 200 15.166 -3.449 2.705 1.00 0.00 H new ATOM 0 HB VAL B 200 15.143 -4.825 5.411 1.00 0.00 H new ATOM 0 HG11 VAL B 200 17.159 -3.463 5.808 1.00 0.00 H new ATOM 0 HG12 VAL B 200 17.359 -4.552 4.414 1.00 0.00 H new ATOM 0 HG13 VAL B 200 17.043 -2.820 4.152 1.00 0.00 H new ATOM 0 HG21 VAL B 200 14.939 -2.577 6.392 1.00 0.00 H new ATOM 0 HG22 VAL B 200 14.727 -1.891 4.763 1.00 0.00 H new ATOM 0 HG23 VAL B 200 13.511 -3.010 5.423 1.00 0.00 H new ATOM 1301 N TYR B 201 16.512 -5.480 2.127 1.00 0.00 N ATOM 1302 CA TYR B 201 17.204 -6.655 1.598 1.00 0.00 C ATOM 1303 C TYR B 201 16.313 -7.418 0.623 1.00 0.00 C ATOM 1304 O TYR B 201 16.546 -8.595 0.345 1.00 0.00 O ATOM 1305 CB TYR B 201 17.653 -7.586 2.731 1.00 0.00 C ATOM 1306 CG TYR B 201 18.750 -7.013 3.601 1.00 0.00 C ATOM 1307 CD1 TYR B 201 20.008 -6.737 3.078 1.00 0.00 C ATOM 1308 CD2 TYR B 201 18.529 -6.751 4.948 1.00 0.00 C ATOM 1309 CE1 TYR B 201 21.012 -6.216 3.871 1.00 0.00 C ATOM 1310 CE2 TYR B 201 19.529 -6.231 5.748 1.00 0.00 C ATOM 1311 CZ TYR B 201 20.769 -5.966 5.205 1.00 0.00 C ATOM 1312 OH TYR B 201 21.767 -5.448 5.997 1.00 0.00 O ATOM 0 H TYR B 201 16.928 -4.592 1.848 1.00 0.00 H new ATOM 0 HA TYR B 201 18.088 -6.304 1.065 1.00 0.00 H new ATOM 0 HB2 TYR B 201 16.792 -7.821 3.357 1.00 0.00 H new ATOM 0 HB3 TYR B 201 17.999 -8.525 2.300 1.00 0.00 H new ATOM 0 HD1 TYR B 201 20.204 -6.933 2.034 1.00 0.00 H new ATOM 0 HD2 TYR B 201 17.559 -6.957 5.377 1.00 0.00 H new ATOM 0 HE1 TYR B 201 21.983 -6.005 3.448 1.00 0.00 H new ATOM 0 HE2 TYR B 201 19.340 -6.033 6.793 1.00 0.00 H new ATOM 0 HH TYR B 201 21.432 -5.330 6.910 1.00 0.00 H new ATOM 1322 N THR B 202 15.293 -6.740 0.106 1.00 0.00 N ATOM 1323 CA THR B 202 14.370 -7.354 -0.841 1.00 0.00 C ATOM 1324 C THR B 202 14.558 -6.784 -2.243 1.00 0.00 C ATOM 1325 O THR B 202 13.773 -7.064 -3.147 1.00 0.00 O ATOM 1326 CB THR B 202 12.904 -7.152 -0.413 1.00 0.00 C ATOM 1327 OG1 THR B 202 12.619 -5.755 -0.280 1.00 0.00 O ATOM 1328 CG2 THR B 202 12.624 -7.859 0.905 1.00 0.00 C ATOM 0 H THR B 202 15.085 -5.766 0.327 1.00 0.00 H new ATOM 0 HA THR B 202 14.595 -8.420 -0.850 1.00 0.00 H new ATOM 0 HB THR B 202 12.262 -7.581 -1.182 1.00 0.00 H new ATOM 0 HG1 THR B 202 11.685 -5.636 -0.009 1.00 0.00 H new ATOM 0 HG21 THR B 202 11.583 -7.703 1.188 1.00 0.00 H new ATOM 0 HG22 THR B 202 12.813 -8.927 0.793 1.00 0.00 H new ATOM 0 HG23 THR B 202 13.275 -7.455 1.680 1.00 0.00 H new ATOM 1336 N ARG B 203 15.606 -5.983 -2.414 1.00 0.00 N ATOM 1337 CA ARG B 203 15.898 -5.372 -3.707 1.00 0.00 C ATOM 1338 C ARG B 203 16.727 -6.309 -4.579 1.00 0.00 C ATOM 1339 O ARG B 203 17.143 -7.379 -4.134 1.00 0.00 O ATOM 1340 CB ARG B 203 16.641 -4.049 -3.515 1.00 0.00 C ATOM 1341 CG ARG B 203 17.965 -4.197 -2.783 1.00 0.00 C ATOM 1342 CD ARG B 203 18.656 -2.856 -2.607 1.00 0.00 C ATOM 1343 NE ARG B 203 17.848 -1.922 -1.827 1.00 0.00 N ATOM 1344 CZ ARG B 203 18.316 -0.779 -1.335 1.00 0.00 C ATOM 1345 NH1 ARG B 203 19.577 -0.428 -1.544 1.00 0.00 N ATOM 1346 NH2 ARG B 203 17.520 0.015 -0.631 1.00 0.00 N ATOM 0 H ARG B 203 16.266 -5.742 -1.675 1.00 0.00 H new ATOM 0 HA ARG B 203 14.950 -5.180 -4.209 1.00 0.00 H new ATOM 0 HB2 ARG B 203 16.823 -3.599 -4.491 1.00 0.00 H new ATOM 0 HB3 ARG B 203 16.003 -3.361 -2.960 1.00 0.00 H new ATOM 0 HG2 ARG B 203 17.794 -4.650 -1.807 1.00 0.00 H new ATOM 0 HG3 ARG B 203 18.616 -4.873 -3.338 1.00 0.00 H new ATOM 0 HD2 ARG B 203 19.616 -3.005 -2.113 1.00 0.00 H new ATOM 0 HD3 ARG B 203 18.865 -2.425 -3.586 1.00 0.00 H new ATOM 0 HE ARG B 203 16.872 -2.160 -1.650 1.00 0.00 H new ATOM 0 HH11 ARG B 203 20.193 -1.036 -2.084 1.00 0.00 H new ATOM 0 HH12 ARG B 203 19.932 0.450 -1.165 1.00 0.00 H new ATOM 0 HH21 ARG B 203 16.549 -0.251 -0.467 1.00 0.00 H new ATOM 0 HH22 ARG B 203 17.879 0.892 -0.253 1.00 0.00 H new ATOM 1360 N SER B 204 16.967 -5.893 -5.819 1.00 0.00 N ATOM 1361 CA SER B 204 17.749 -6.687 -6.764 1.00 0.00 C ATOM 1362 C SER B 204 17.155 -8.084 -6.929 1.00 0.00 C ATOM 1363 O SER B 204 16.282 -8.255 -7.806 1.00 0.00 O ATOM 1364 CB SER B 204 19.204 -6.786 -6.302 1.00 0.00 C ATOM 1365 OG SER B 204 19.974 -7.562 -7.205 1.00 0.00 O ATOM 1366 OXT SER B 204 17.567 -8.994 -6.181 1.00 0.00 O ATOM 0 H SER B 204 16.630 -5.007 -6.195 1.00 0.00 H new ATOM 0 HA SER B 204 17.718 -6.185 -7.731 1.00 0.00 H new ATOM 0 HB2 SER B 204 19.632 -5.787 -6.220 1.00 0.00 H new ATOM 0 HB3 SER B 204 19.244 -7.232 -5.308 1.00 0.00 H new ATOM 0 HG SER B 204 20.900 -7.609 -6.888 1.00 0.00 H new TER 1372 SER B 204