USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 866 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 50 TYR OH : rot 180:sc= -0.16 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 158:sc= -0.0589 (180deg=-0.388) USER MOD Set 2.1: A 22 ASN : amide:sc= -0.418 K(o=0.26,f=-0.61) USER MOD Set 2.2: A 100 SER OG : rot -77:sc= 0.679 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.63 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.62) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 41 GLN : amide:sc= -2.52! K(o=-2.5!,f=-1.5) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.776 X(o=-0.78,f=-0.86) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.889 USER MOD Single : A 76 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.9) USER MOD Single : A 78 GLN : amide:sc= -3.78! C(o=-3.8!,f=-4.7!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.288 X(o=-0.29,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0.514 K(o=0.51,f=0) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -1.85 K(o=-1.9,f=-2.5!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 108 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.6!) USER MOD Single : A 110 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.1) USER MOD Single : A 111 ASN : amide:sc= -0.861! C(o=-0.86!,f=-4.4!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.122 23.431 22.224 1.00 0.00 N ATOM 2 CA GLY A 1 -2.380 23.078 21.028 1.00 0.00 C ATOM 3 C GLY A 1 -3.287 22.740 19.862 1.00 0.00 C ATOM 4 O GLY A 1 -3.993 21.732 19.887 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.457 23.653 22.992 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.718 24.261 22.031 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.724 22.632 22.508 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.729 23.907 20.750 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.736 22.225 21.242 1.00 0.00 H new ATOM 8 N SER A 2 -3.271 23.587 18.837 1.00 0.00 N ATOM 9 CA SER A 2 -4.103 23.376 17.658 1.00 0.00 C ATOM 10 C SER A 2 -3.325 22.645 16.568 1.00 0.00 C ATOM 11 O SER A 2 -2.106 22.495 16.654 1.00 0.00 O ATOM 12 CB SER A 2 -4.616 24.715 17.124 1.00 0.00 C ATOM 13 OG SER A 2 -5.751 24.532 16.296 1.00 0.00 O ATOM 0 H SER A 2 -2.691 24.425 18.799 1.00 0.00 H new ATOM 0 HA SER A 2 -4.953 22.759 17.949 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.872 25.369 17.958 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.827 25.212 16.560 1.00 0.00 H new ATOM 0 HG SER A 2 -6.061 25.402 15.969 1.00 0.00 H new ATOM 19 N SER A 3 -4.039 22.193 15.542 1.00 0.00 N ATOM 20 CA SER A 3 -3.418 21.474 14.436 1.00 0.00 C ATOM 21 C SER A 3 -4.318 21.488 13.205 1.00 0.00 C ATOM 22 O SER A 3 -5.543 21.436 13.316 1.00 0.00 O ATOM 23 CB SER A 3 -3.115 20.031 14.844 1.00 0.00 C ATOM 24 OG SER A 3 -4.291 19.363 15.267 1.00 0.00 O ATOM 0 H SER A 3 -5.048 22.312 15.454 1.00 0.00 H new ATOM 0 HA SER A 3 -2.484 21.977 14.187 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.672 19.497 14.003 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.380 20.024 15.649 1.00 0.00 H new ATOM 0 HG SER A 3 -4.071 18.442 15.521 1.00 0.00 H new ATOM 30 N GLY A 4 -3.702 21.559 12.029 1.00 0.00 N ATOM 31 CA GLY A 4 -4.462 21.579 10.793 1.00 0.00 C ATOM 32 C GLY A 4 -3.785 20.800 9.683 1.00 0.00 C ATOM 33 O GLY A 4 -2.630 20.395 9.815 1.00 0.00 O ATOM 0 H GLY A 4 -2.690 21.603 11.910 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.453 21.162 10.973 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.603 22.612 10.474 1.00 0.00 H new ATOM 37 N SER A 5 -4.505 20.589 8.586 1.00 0.00 N ATOM 38 CA SER A 5 -3.968 19.848 7.450 1.00 0.00 C ATOM 39 C SER A 5 -3.016 20.717 6.635 1.00 0.00 C ATOM 40 O SER A 5 -1.859 20.357 6.419 1.00 0.00 O ATOM 41 CB SER A 5 -5.105 19.343 6.560 1.00 0.00 C ATOM 42 OG SER A 5 -4.640 18.371 5.640 1.00 0.00 O ATOM 0 H SER A 5 -5.461 20.920 8.459 1.00 0.00 H new ATOM 0 HA SER A 5 -3.411 18.994 7.836 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.893 18.914 7.179 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.546 20.180 6.018 1.00 0.00 H new ATOM 0 HG SER A 5 -5.386 18.063 5.084 1.00 0.00 H new ATOM 48 N SER A 6 -3.513 21.865 6.184 1.00 0.00 N ATOM 49 CA SER A 6 -2.709 22.786 5.389 1.00 0.00 C ATOM 50 C SER A 6 -2.266 22.132 4.084 1.00 0.00 C ATOM 51 O SER A 6 -1.118 22.273 3.665 1.00 0.00 O ATOM 52 CB SER A 6 -1.485 23.245 6.184 1.00 0.00 C ATOM 53 OG SER A 6 -1.811 24.321 7.047 1.00 0.00 O ATOM 0 H SER A 6 -4.468 22.179 6.356 1.00 0.00 H new ATOM 0 HA SER A 6 -3.324 23.654 5.150 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.094 22.412 6.768 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.696 23.552 5.498 1.00 0.00 H new ATOM 0 HG SER A 6 -1.012 24.595 7.545 1.00 0.00 H new ATOM 59 N GLY A 7 -3.186 21.416 3.445 1.00 0.00 N ATOM 60 CA GLY A 7 -2.873 20.751 2.195 1.00 0.00 C ATOM 61 C GLY A 7 -3.798 21.167 1.068 1.00 0.00 C ATOM 62 O GLY A 7 -4.592 22.095 1.220 1.00 0.00 O ATOM 0 H GLY A 7 -4.143 21.285 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.843 20.974 1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.939 19.672 2.335 1.00 0.00 H new ATOM 66 N MET A 8 -3.694 20.481 -0.065 1.00 0.00 N ATOM 67 CA MET A 8 -4.529 20.785 -1.221 1.00 0.00 C ATOM 68 C MET A 8 -5.980 20.391 -0.964 1.00 0.00 C ATOM 69 O MET A 8 -6.253 19.402 -0.286 1.00 0.00 O ATOM 70 CB MET A 8 -4.004 20.059 -2.461 1.00 0.00 C ATOM 71 CG MET A 8 -4.219 18.555 -2.422 1.00 0.00 C ATOM 72 SD MET A 8 -2.911 17.689 -1.533 1.00 0.00 S ATOM 73 CE MET A 8 -2.106 16.821 -2.876 1.00 0.00 C ATOM 0 H MET A 8 -3.040 19.711 -0.207 1.00 0.00 H new ATOM 0 HA MET A 8 -4.489 21.861 -1.393 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.496 20.465 -3.345 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.938 20.263 -2.567 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.177 18.341 -1.949 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.274 18.173 -3.441 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.272 16.238 -2.485 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.821 16.154 -3.358 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.734 17.542 -3.604 1.00 0.00 H new ATOM 83 N ASN A 9 -6.906 21.172 -1.509 1.00 0.00 N ATOM 84 CA ASN A 9 -8.330 20.905 -1.337 1.00 0.00 C ATOM 85 C ASN A 9 -8.798 19.813 -2.293 1.00 0.00 C ATOM 86 O ASN A 9 -8.742 19.974 -3.512 1.00 0.00 O ATOM 87 CB ASN A 9 -9.141 22.181 -1.566 1.00 0.00 C ATOM 88 CG ASN A 9 -9.130 23.099 -0.359 1.00 0.00 C ATOM 89 OD1 ASN A 9 -9.644 22.749 0.705 1.00 0.00 O ATOM 90 ND2 ASN A 9 -8.544 24.279 -0.518 1.00 0.00 N ATOM 0 H ASN A 9 -6.697 21.995 -2.074 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.489 20.561 -0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.739 22.714 -2.428 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -10.170 21.915 -1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.506 24.939 0.259 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.131 24.526 -1.417 1.00 0.00 H new ATOM 97 N GLY A 10 -9.260 18.699 -1.732 1.00 0.00 N ATOM 98 CA GLY A 10 -9.731 17.597 -2.549 1.00 0.00 C ATOM 99 C GLY A 10 -9.975 16.338 -1.740 1.00 0.00 C ATOM 100 O GLY A 10 -9.451 16.190 -0.636 1.00 0.00 O ATOM 0 H GLY A 10 -9.316 18.541 -0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.655 17.888 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.999 17.388 -3.329 1.00 0.00 H new ATOM 104 N ARG A 11 -10.776 15.430 -2.288 1.00 0.00 N ATOM 105 CA ARG A 11 -11.091 14.180 -1.609 1.00 0.00 C ATOM 106 C ARG A 11 -10.039 13.116 -1.910 1.00 0.00 C ATOM 107 O ARG A 11 -9.691 12.883 -3.068 1.00 0.00 O ATOM 108 CB ARG A 11 -12.473 13.679 -2.032 1.00 0.00 C ATOM 109 CG ARG A 11 -13.614 14.297 -1.240 1.00 0.00 C ATOM 110 CD ARG A 11 -13.811 15.762 -1.598 1.00 0.00 C ATOM 111 NE ARG A 11 -15.177 16.209 -1.342 1.00 0.00 N ATOM 112 CZ ARG A 11 -16.215 15.872 -2.099 1.00 0.00 C ATOM 113 NH1 ARG A 11 -16.043 15.088 -3.154 1.00 0.00 N ATOM 114 NH2 ARG A 11 -17.429 16.319 -1.801 1.00 0.00 N ATOM 0 H ARG A 11 -11.219 15.537 -3.201 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.093 14.370 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.619 13.893 -3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.508 12.596 -1.918 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -14.534 13.747 -1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.409 14.206 -0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.116 16.373 -1.022 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.571 15.913 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.343 16.813 -0.537 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.112 14.742 -3.386 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.842 14.831 -3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -17.566 16.922 -0.990 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -18.225 16.059 -2.383 1.00 0.00 H new ATOM 128 N VAL A 12 -9.535 12.476 -0.860 1.00 0.00 N ATOM 129 CA VAL A 12 -8.523 11.437 -1.012 1.00 0.00 C ATOM 130 C VAL A 12 -8.879 10.199 -0.197 1.00 0.00 C ATOM 131 O VAL A 12 -8.100 9.752 0.645 1.00 0.00 O ATOM 132 CB VAL A 12 -7.133 11.941 -0.579 1.00 0.00 C ATOM 133 CG1 VAL A 12 -6.612 12.981 -1.559 1.00 0.00 C ATOM 134 CG2 VAL A 12 -7.187 12.505 0.833 1.00 0.00 C ATOM 0 H VAL A 12 -9.811 12.658 0.105 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.494 11.175 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.443 11.097 -0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.629 13.325 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.533 12.538 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.299 13.826 -1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.197 12.856 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.891 13.336 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.512 11.727 1.523 1.00 0.00 H new ATOM 144 N ASP A 13 -10.061 9.649 -0.453 1.00 0.00 N ATOM 145 CA ASP A 13 -10.521 8.461 0.255 1.00 0.00 C ATOM 146 C ASP A 13 -10.174 7.196 -0.523 1.00 0.00 C ATOM 147 O ASP A 13 -10.672 6.978 -1.628 1.00 0.00 O ATOM 148 CB ASP A 13 -12.031 8.533 0.489 1.00 0.00 C ATOM 149 CG ASP A 13 -12.405 9.556 1.543 1.00 0.00 C ATOM 150 OD1 ASP A 13 -12.338 9.221 2.744 1.00 0.00 O ATOM 151 OD2 ASP A 13 -12.767 10.691 1.168 1.00 0.00 O ATOM 0 H ASP A 13 -10.718 10.007 -1.146 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.013 8.424 1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -12.529 8.782 -0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.396 7.552 0.793 1.00 0.00 H new ATOM 156 N TYR A 14 -9.317 6.365 0.059 1.00 0.00 N ATOM 157 CA TYR A 14 -8.900 5.123 -0.581 1.00 0.00 C ATOM 158 C TYR A 14 -8.590 4.051 0.459 1.00 0.00 C ATOM 159 O TYR A 14 -7.897 4.307 1.445 1.00 0.00 O ATOM 160 CB TYR A 14 -7.673 5.366 -1.462 1.00 0.00 C ATOM 161 CG TYR A 14 -6.536 6.053 -0.740 1.00 0.00 C ATOM 162 CD1 TYR A 14 -6.661 7.364 -0.297 1.00 0.00 C ATOM 163 CD2 TYR A 14 -5.338 5.393 -0.502 1.00 0.00 C ATOM 164 CE1 TYR A 14 -5.625 7.997 0.362 1.00 0.00 C ATOM 165 CE2 TYR A 14 -4.297 6.017 0.158 1.00 0.00 C ATOM 166 CZ TYR A 14 -4.445 7.319 0.588 1.00 0.00 C ATOM 167 OH TYR A 14 -3.410 7.945 1.244 1.00 0.00 O ATOM 0 H TYR A 14 -8.897 6.529 0.974 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.722 4.771 -1.204 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.321 4.411 -1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.966 5.971 -2.320 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.584 7.897 -0.471 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.218 4.374 -0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.738 9.017 0.698 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.372 5.488 0.336 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.652 7.329 1.323 1.00 0.00 H new ATOM 177 N LEU A 15 -9.108 2.849 0.232 1.00 0.00 N ATOM 178 CA LEU A 15 -8.886 1.735 1.148 1.00 0.00 C ATOM 179 C LEU A 15 -7.541 1.068 0.880 1.00 0.00 C ATOM 180 O LEU A 15 -7.256 0.651 -0.243 1.00 0.00 O ATOM 181 CB LEU A 15 -10.013 0.709 1.016 1.00 0.00 C ATOM 182 CG LEU A 15 -10.216 -0.222 2.212 1.00 0.00 C ATOM 183 CD1 LEU A 15 -8.901 -0.874 2.610 1.00 0.00 C ATOM 184 CD2 LEU A 15 -10.813 0.540 3.386 1.00 0.00 C ATOM 0 H LEU A 15 -9.684 2.621 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.878 2.129 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.945 1.244 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.820 0.098 0.134 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.914 -1.007 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.065 -1.533 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.514 -1.454 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.180 -0.103 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.950 -0.138 4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.140 1.347 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.777 0.958 3.096 1.00 0.00 H new ATOM 196 N VAL A 16 -6.718 0.970 1.919 1.00 0.00 N ATOM 197 CA VAL A 16 -5.403 0.350 1.796 1.00 0.00 C ATOM 198 C VAL A 16 -5.362 -0.996 2.511 1.00 0.00 C ATOM 199 O VAL A 16 -5.736 -1.104 3.679 1.00 0.00 O ATOM 200 CB VAL A 16 -4.299 1.258 2.370 1.00 0.00 C ATOM 201 CG1 VAL A 16 -4.487 2.691 1.896 1.00 0.00 C ATOM 202 CG2 VAL A 16 -4.288 1.187 3.889 1.00 0.00 C ATOM 0 H VAL A 16 -6.938 1.311 2.855 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.222 0.199 0.732 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.335 0.904 2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.698 3.318 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.441 2.723 0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.457 3.060 2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.502 1.834 4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.253 1.515 4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.101 0.160 4.204 1.00 0.00 H new ATOM 212 N THR A 17 -4.903 -2.023 1.801 1.00 0.00 N ATOM 213 CA THR A 17 -4.813 -3.363 2.367 1.00 0.00 C ATOM 214 C THR A 17 -3.390 -3.902 2.279 1.00 0.00 C ATOM 215 O THR A 17 -2.716 -3.735 1.263 1.00 0.00 O ATOM 216 CB THR A 17 -5.765 -4.340 1.652 1.00 0.00 C ATOM 217 OG1 THR A 17 -5.525 -4.313 0.240 1.00 0.00 O ATOM 218 CG2 THR A 17 -7.217 -3.983 1.931 1.00 0.00 C ATOM 0 H THR A 17 -4.588 -1.952 0.833 1.00 0.00 H new ATOM 0 HA THR A 17 -5.105 -3.284 3.414 1.00 0.00 H new ATOM 0 HB THR A 17 -5.574 -5.343 2.034 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.133 -4.938 -0.207 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.870 -4.687 1.415 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.404 -4.033 3.004 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.418 -2.973 1.574 1.00 0.00 H new ATOM 226 N GLU A 18 -2.939 -4.549 3.349 1.00 0.00 N ATOM 227 CA GLU A 18 -1.595 -5.112 3.391 1.00 0.00 C ATOM 228 C GLU A 18 -1.607 -6.580 2.974 1.00 0.00 C ATOM 229 O GLU A 18 -2.283 -7.404 3.589 1.00 0.00 O ATOM 230 CB GLU A 18 -1.004 -4.974 4.795 1.00 0.00 C ATOM 231 CG GLU A 18 -0.383 -3.613 5.063 1.00 0.00 C ATOM 232 CD GLU A 18 -0.298 -3.292 6.543 1.00 0.00 C ATOM 233 OE1 GLU A 18 -1.332 -3.403 7.235 1.00 0.00 O ATOM 234 OE2 GLU A 18 0.802 -2.929 7.009 1.00 0.00 O ATOM 0 H GLU A 18 -3.485 -4.696 4.198 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.974 -4.557 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.788 -5.157 5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.246 -5.744 4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.617 -3.582 4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.971 -2.844 4.561 1.00 0.00 H new ATOM 241 N GLU A 19 -0.854 -6.898 1.926 1.00 0.00 N ATOM 242 CA GLU A 19 -0.780 -8.266 1.426 1.00 0.00 C ATOM 243 C GLU A 19 0.667 -8.666 1.151 1.00 0.00 C ATOM 244 O GLU A 19 1.502 -7.825 0.822 1.00 0.00 O ATOM 245 CB GLU A 19 -1.612 -8.413 0.151 1.00 0.00 C ATOM 246 CG GLU A 19 -1.893 -9.857 -0.230 1.00 0.00 C ATOM 247 CD GLU A 19 -3.007 -10.471 0.595 1.00 0.00 C ATOM 248 OE1 GLU A 19 -4.172 -10.054 0.425 1.00 0.00 O ATOM 249 OE2 GLU A 19 -2.714 -11.369 1.412 1.00 0.00 O ATOM 0 H GLU A 19 -0.287 -6.228 1.407 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.184 -8.928 2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.559 -7.890 0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.090 -7.924 -0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.159 -9.905 -1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.985 -10.446 -0.103 1.00 0.00 H new ATOM 256 N GLU A 20 0.954 -9.957 1.291 1.00 0.00 N ATOM 257 CA GLU A 20 2.300 -10.469 1.059 1.00 0.00 C ATOM 258 C GLU A 20 2.360 -11.274 -0.236 1.00 0.00 C ATOM 259 O GLU A 20 1.759 -12.343 -0.342 1.00 0.00 O ATOM 260 CB GLU A 20 2.748 -11.339 2.235 1.00 0.00 C ATOM 261 CG GLU A 20 4.257 -11.420 2.393 1.00 0.00 C ATOM 262 CD GLU A 20 4.678 -12.343 3.519 1.00 0.00 C ATOM 263 OE1 GLU A 20 4.771 -13.565 3.282 1.00 0.00 O ATOM 264 OE2 GLU A 20 4.913 -11.842 4.639 1.00 0.00 O ATOM 0 H GLU A 20 0.274 -10.666 1.563 1.00 0.00 H new ATOM 0 HA GLU A 20 2.975 -9.618 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.316 -10.943 3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.351 -12.345 2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.698 -11.768 1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.653 -10.422 2.580 1.00 0.00 H new ATOM 271 N ILE A 21 3.089 -10.753 -1.216 1.00 0.00 N ATOM 272 CA ILE A 21 3.229 -11.423 -2.503 1.00 0.00 C ATOM 273 C ILE A 21 4.507 -12.253 -2.555 1.00 0.00 C ATOM 274 O ILE A 21 5.610 -11.711 -2.597 1.00 0.00 O ATOM 275 CB ILE A 21 3.239 -10.413 -3.666 1.00 0.00 C ATOM 276 CG1 ILE A 21 2.071 -9.434 -3.530 1.00 0.00 C ATOM 277 CG2 ILE A 21 3.175 -11.140 -5.000 1.00 0.00 C ATOM 278 CD1 ILE A 21 0.737 -10.024 -3.931 1.00 0.00 C ATOM 0 H ILE A 21 3.592 -9.869 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 21 2.367 -12.081 -2.611 1.00 0.00 H new ATOM 0 HB ILE A 21 4.170 -9.847 -3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.012 -9.093 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.270 -8.556 -4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.183 -10.412 -5.812 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.037 -11.800 -5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.259 -11.729 -5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.044 -9.274 -3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.777 -10.340 -4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.515 -10.885 -3.300 1.00 0.00 H new ATOM 290 N ASN A 22 4.349 -13.573 -2.553 1.00 0.00 N ATOM 291 CA ASN A 22 5.490 -14.479 -2.602 1.00 0.00 C ATOM 292 C ASN A 22 5.715 -14.996 -4.019 1.00 0.00 C ATOM 293 O ASN A 22 4.945 -15.817 -4.522 1.00 0.00 O ATOM 294 CB ASN A 22 5.275 -15.655 -1.646 1.00 0.00 C ATOM 295 CG ASN A 22 5.417 -15.251 -0.191 1.00 0.00 C ATOM 296 OD1 ASN A 22 6.229 -15.813 0.544 1.00 0.00 O ATOM 297 ND2 ASN A 22 4.625 -14.273 0.231 1.00 0.00 N ATOM 0 H ASN A 22 3.442 -14.038 -2.518 1.00 0.00 H new ATOM 0 HA ASN A 22 6.376 -13.924 -2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.282 -16.075 -1.808 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.995 -16.441 -1.874 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.675 -13.959 1.200 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.967 -13.836 -0.414 1.00 0.00 H new ATOM 304 N LEU A 23 6.773 -14.512 -4.659 1.00 0.00 N ATOM 305 CA LEU A 23 7.101 -14.925 -6.019 1.00 0.00 C ATOM 306 C LEU A 23 8.373 -15.767 -6.041 1.00 0.00 C ATOM 307 O LEU A 23 9.153 -15.759 -5.088 1.00 0.00 O ATOM 308 CB LEU A 23 7.271 -13.699 -6.918 1.00 0.00 C ATOM 309 CG LEU A 23 6.064 -12.766 -7.015 1.00 0.00 C ATOM 310 CD1 LEU A 23 6.463 -11.442 -7.650 1.00 0.00 C ATOM 311 CD2 LEU A 23 4.943 -13.423 -7.807 1.00 0.00 C ATOM 0 H LEU A 23 7.419 -13.832 -4.258 1.00 0.00 H new ATOM 0 HA LEU A 23 6.279 -15.533 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.122 -13.123 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.522 -14.041 -7.922 1.00 0.00 H new ATOM 0 HG LEU A 23 5.701 -12.568 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.591 -10.790 -7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.232 -10.964 -7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.852 -11.622 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.092 -12.744 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.294 -13.652 -8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.638 -14.344 -7.311 1.00 0.00 H new ATOM 323 N THR A 24 8.578 -16.491 -7.137 1.00 0.00 N ATOM 324 CA THR A 24 9.756 -17.337 -7.285 1.00 0.00 C ATOM 325 C THR A 24 10.825 -16.649 -8.126 1.00 0.00 C ATOM 326 O THR A 24 10.515 -15.950 -9.091 1.00 0.00 O ATOM 327 CB THR A 24 9.399 -18.688 -7.933 1.00 0.00 C ATOM 328 OG1 THR A 24 8.181 -19.192 -7.375 1.00 0.00 O ATOM 329 CG2 THR A 24 10.516 -19.700 -7.724 1.00 0.00 C ATOM 0 H THR A 24 7.943 -16.508 -7.935 1.00 0.00 H new ATOM 0 HA THR A 24 10.146 -17.515 -6.283 1.00 0.00 H new ATOM 0 HB THR A 24 9.269 -18.530 -9.004 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.960 -20.050 -7.793 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.242 -20.646 -8.190 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.435 -19.326 -8.176 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.673 -19.853 -6.656 1.00 0.00 H new ATOM 337 N ARG A 25 12.085 -16.852 -7.754 1.00 0.00 N ATOM 338 CA ARG A 25 13.200 -16.250 -8.475 1.00 0.00 C ATOM 339 C ARG A 25 13.397 -16.921 -9.831 1.00 0.00 C ATOM 340 O ARG A 25 13.634 -18.126 -9.910 1.00 0.00 O ATOM 341 CB ARG A 25 14.485 -16.357 -7.650 1.00 0.00 C ATOM 342 CG ARG A 25 15.691 -15.716 -8.317 1.00 0.00 C ATOM 343 CD ARG A 25 16.993 -16.315 -7.808 1.00 0.00 C ATOM 344 NE ARG A 25 18.067 -16.208 -8.791 1.00 0.00 N ATOM 345 CZ ARG A 25 19.353 -16.350 -8.493 1.00 0.00 C ATOM 346 NH1 ARG A 25 19.724 -16.605 -7.246 1.00 0.00 N ATOM 347 NH2 ARG A 25 20.272 -16.238 -9.444 1.00 0.00 N ATOM 0 H ARG A 25 12.359 -17.428 -6.958 1.00 0.00 H new ATOM 0 HA ARG A 25 12.968 -15.198 -8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.324 -15.887 -6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.700 -17.409 -7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.625 -15.850 -9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.685 -14.642 -8.128 1.00 0.00 H new ATOM 0 HD2 ARG A 25 17.290 -15.808 -6.890 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.835 -17.364 -7.556 1.00 0.00 H new ATOM 0 HE ARG A 25 17.816 -16.013 -9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 25 19.021 -16.693 -6.512 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.713 -16.714 -7.020 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.991 -16.043 -10.405 1.00 0.00 H new ATOM 0 HH22 ARG A 25 21.260 -16.347 -9.214 1.00 0.00 H new ATOM 361 N GLY A 26 13.296 -16.132 -10.896 1.00 0.00 N ATOM 362 CA GLY A 26 13.464 -16.668 -12.235 1.00 0.00 C ATOM 363 C GLY A 26 14.886 -17.119 -12.504 1.00 0.00 C ATOM 364 O GLY A 26 15.654 -17.404 -11.585 1.00 0.00 O ATOM 0 H GLY A 26 13.101 -15.132 -10.856 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.786 -17.510 -12.374 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.182 -15.909 -12.965 1.00 0.00 H new ATOM 368 N PRO A 27 15.254 -17.192 -13.792 1.00 0.00 N ATOM 369 CA PRO A 27 16.595 -17.612 -14.209 1.00 0.00 C ATOM 370 C PRO A 27 17.661 -16.580 -13.861 1.00 0.00 C ATOM 371 O PRO A 27 18.856 -16.876 -13.882 1.00 0.00 O ATOM 372 CB PRO A 27 16.465 -17.755 -15.728 1.00 0.00 C ATOM 373 CG PRO A 27 15.346 -16.844 -16.100 1.00 0.00 C ATOM 374 CD PRO A 27 14.390 -16.867 -14.939 1.00 0.00 C ATOM 0 HA PRO A 27 16.910 -18.526 -13.706 1.00 0.00 H new ATOM 0 HB2 PRO A 27 17.389 -17.473 -16.233 1.00 0.00 H new ATOM 0 HB3 PRO A 27 16.248 -18.785 -16.012 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.711 -15.834 -16.285 1.00 0.00 H new ATOM 0 HG3 PRO A 27 14.857 -17.179 -17.015 1.00 0.00 H new ATOM 0 HD2 PRO A 27 13.893 -15.906 -14.808 1.00 0.00 H new ATOM 0 HD3 PRO A 27 13.608 -17.614 -15.077 1.00 0.00 H new ATOM 382 N SER A 28 17.222 -15.368 -13.539 1.00 0.00 N ATOM 383 CA SER A 28 18.140 -14.290 -13.188 1.00 0.00 C ATOM 384 C SER A 28 17.722 -13.624 -11.881 1.00 0.00 C ATOM 385 O SER A 28 18.553 -13.357 -11.014 1.00 0.00 O ATOM 386 CB SER A 28 18.191 -13.250 -14.310 1.00 0.00 C ATOM 387 OG SER A 28 18.655 -13.826 -15.518 1.00 0.00 O ATOM 0 H SER A 28 16.236 -15.107 -13.514 1.00 0.00 H new ATOM 0 HA SER A 28 19.133 -14.720 -13.055 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.198 -12.827 -14.463 1.00 0.00 H new ATOM 0 HB3 SER A 28 18.846 -12.429 -14.020 1.00 0.00 H new ATOM 0 HG SER A 28 18.677 -13.142 -16.219 1.00 0.00 H new ATOM 393 N GLY A 29 16.426 -13.359 -11.746 1.00 0.00 N ATOM 394 CA GLY A 29 15.920 -12.726 -10.543 1.00 0.00 C ATOM 395 C GLY A 29 14.410 -12.592 -10.550 1.00 0.00 C ATOM 396 O GLY A 29 13.703 -13.408 -9.956 1.00 0.00 O ATOM 0 H GLY A 29 15.718 -13.572 -12.449 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.226 -13.308 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.369 -11.738 -10.439 1.00 0.00 H new ATOM 400 N LEU A 30 13.913 -11.559 -11.221 1.00 0.00 N ATOM 401 CA LEU A 30 12.476 -11.319 -11.302 1.00 0.00 C ATOM 402 C LEU A 30 12.093 -10.763 -12.670 1.00 0.00 C ATOM 403 O LEU A 30 12.935 -10.635 -13.557 1.00 0.00 O ATOM 404 CB LEU A 30 12.038 -10.348 -10.204 1.00 0.00 C ATOM 405 CG LEU A 30 12.475 -10.703 -8.782 1.00 0.00 C ATOM 406 CD1 LEU A 30 12.650 -9.444 -7.948 1.00 0.00 C ATOM 407 CD2 LEU A 30 11.466 -11.639 -8.132 1.00 0.00 C ATOM 0 H LEU A 30 14.483 -10.874 -11.717 1.00 0.00 H new ATOM 0 HA LEU A 30 11.965 -12.272 -11.161 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.426 -9.358 -10.446 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.950 -10.277 -10.222 1.00 0.00 H new ATOM 0 HG LEU A 30 13.435 -11.216 -8.835 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.961 -9.716 -6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.410 -8.809 -8.403 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.705 -8.903 -7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.793 -11.881 -7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.492 -11.152 -8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.390 -12.555 -8.718 1.00 0.00 H new ATOM 419 N GLY A 31 10.815 -10.433 -12.832 1.00 0.00 N ATOM 420 CA GLY A 31 10.343 -9.893 -14.094 1.00 0.00 C ATOM 421 C GLY A 31 9.486 -8.656 -13.910 1.00 0.00 C ATOM 422 O GLY A 31 8.308 -8.650 -14.269 1.00 0.00 O ATOM 0 H GLY A 31 10.099 -10.530 -12.112 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.198 -9.648 -14.724 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.768 -10.655 -14.620 1.00 0.00 H new ATOM 426 N PHE A 32 10.076 -7.607 -13.349 1.00 0.00 N ATOM 427 CA PHE A 32 9.358 -6.359 -13.116 1.00 0.00 C ATOM 428 C PHE A 32 10.306 -5.269 -12.626 1.00 0.00 C ATOM 429 O PHE A 32 11.253 -5.541 -11.888 1.00 0.00 O ATOM 430 CB PHE A 32 8.238 -6.574 -12.095 1.00 0.00 C ATOM 431 CG PHE A 32 8.737 -6.922 -10.722 1.00 0.00 C ATOM 432 CD1 PHE A 32 9.248 -5.941 -9.888 1.00 0.00 C ATOM 433 CD2 PHE A 32 8.695 -8.229 -10.266 1.00 0.00 C ATOM 434 CE1 PHE A 32 9.709 -6.259 -8.624 1.00 0.00 C ATOM 435 CE2 PHE A 32 9.153 -8.553 -9.003 1.00 0.00 C ATOM 436 CZ PHE A 32 9.660 -7.566 -8.180 1.00 0.00 C ATOM 0 H PHE A 32 11.050 -7.596 -13.047 1.00 0.00 H new ATOM 0 HA PHE A 32 8.922 -6.038 -14.062 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.634 -5.669 -12.035 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.584 -7.371 -12.448 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.287 -4.917 -10.229 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.300 -9.005 -10.905 1.00 0.00 H new ATOM 0 HE1 PHE A 32 10.107 -5.486 -7.984 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.115 -9.576 -8.660 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.017 -7.816 -7.192 1.00 0.00 H new ATOM 446 N ASN A 33 10.044 -4.034 -13.041 1.00 0.00 N ATOM 447 CA ASN A 33 10.874 -2.902 -12.646 1.00 0.00 C ATOM 448 C ASN A 33 10.326 -2.240 -11.386 1.00 0.00 C ATOM 449 O ASN A 33 9.131 -2.319 -11.101 1.00 0.00 O ATOM 450 CB ASN A 33 10.952 -1.879 -13.781 1.00 0.00 C ATOM 451 CG ASN A 33 12.006 -0.818 -13.532 1.00 0.00 C ATOM 452 OD1 ASN A 33 11.696 0.368 -13.424 1.00 0.00 O ATOM 453 ND2 ASN A 33 13.261 -1.242 -13.439 1.00 0.00 N ATOM 0 H ASN A 33 9.263 -3.792 -13.651 1.00 0.00 H new ATOM 0 HA ASN A 33 11.876 -3.275 -12.433 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.173 -2.394 -14.716 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.980 -1.400 -13.902 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.014 -0.574 -13.272 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.472 -2.235 -13.535 1.00 0.00 H new ATOM 460 N ILE A 34 11.207 -1.587 -10.636 1.00 0.00 N ATOM 461 CA ILE A 34 10.812 -0.909 -9.408 1.00 0.00 C ATOM 462 C ILE A 34 11.392 0.500 -9.345 1.00 0.00 C ATOM 463 O ILE A 34 12.375 0.808 -10.019 1.00 0.00 O ATOM 464 CB ILE A 34 11.262 -1.694 -8.162 1.00 0.00 C ATOM 465 CG1 ILE A 34 12.728 -2.112 -8.298 1.00 0.00 C ATOM 466 CG2 ILE A 34 10.376 -2.912 -7.953 1.00 0.00 C ATOM 467 CD1 ILE A 34 13.437 -2.270 -6.971 1.00 0.00 C ATOM 0 H ILE A 34 12.200 -1.513 -10.858 1.00 0.00 H new ATOM 0 HA ILE A 34 9.724 -0.850 -9.417 1.00 0.00 H new ATOM 0 HB ILE A 34 11.167 -1.047 -7.290 1.00 0.00 H new ATOM 0 HG12 ILE A 34 12.780 -3.055 -8.843 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.255 -1.369 -8.896 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.708 -3.456 -7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.343 -2.591 -7.816 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.441 -3.563 -8.825 1.00 0.00 H new ATOM 0 HD11 ILE A 34 14.471 -2.567 -7.144 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.417 -1.322 -6.433 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.934 -3.034 -6.379 1.00 0.00 H new ATOM 479 N VAL A 35 10.779 1.351 -8.530 1.00 0.00 N ATOM 480 CA VAL A 35 11.236 2.727 -8.376 1.00 0.00 C ATOM 481 C VAL A 35 11.347 3.108 -6.904 1.00 0.00 C ATOM 482 O VAL A 35 10.364 3.063 -6.165 1.00 0.00 O ATOM 483 CB VAL A 35 10.289 3.715 -9.081 1.00 0.00 C ATOM 484 CG1 VAL A 35 10.342 3.523 -10.589 1.00 0.00 C ATOM 485 CG2 VAL A 35 8.867 3.551 -8.564 1.00 0.00 C ATOM 0 H VAL A 35 9.964 1.112 -7.965 1.00 0.00 H new ATOM 0 HA VAL A 35 12.221 2.787 -8.839 1.00 0.00 H new ATOM 0 HB VAL A 35 10.618 4.730 -8.857 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.666 4.230 -11.070 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.359 3.695 -10.942 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.039 2.506 -10.837 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.211 4.257 -9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.525 2.534 -8.757 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.845 3.744 -7.491 1.00 0.00 H new ATOM 495 N GLY A 36 12.551 3.485 -6.485 1.00 0.00 N ATOM 496 CA GLY A 36 12.768 3.869 -5.102 1.00 0.00 C ATOM 497 C GLY A 36 14.142 4.470 -4.876 1.00 0.00 C ATOM 498 O GLY A 36 14.952 4.548 -5.799 1.00 0.00 O ATOM 0 H GLY A 36 13.380 3.531 -7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.006 4.589 -4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.647 2.995 -4.462 1.00 0.00 H new ATOM 502 N GLY A 37 14.404 4.898 -3.645 1.00 0.00 N ATOM 503 CA GLY A 37 15.689 5.491 -3.324 1.00 0.00 C ATOM 504 C GLY A 37 15.567 6.939 -2.893 1.00 0.00 C ATOM 505 O GLY A 37 15.038 7.772 -3.630 1.00 0.00 O ATOM 0 H GLY A 37 13.750 4.845 -2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.162 4.917 -2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.343 5.428 -4.194 1.00 0.00 H new ATOM 509 N THR A 38 16.058 7.243 -1.696 1.00 0.00 N ATOM 510 CA THR A 38 16.000 8.599 -1.167 1.00 0.00 C ATOM 511 C THR A 38 16.412 9.619 -2.222 1.00 0.00 C ATOM 512 O THR A 38 16.027 10.787 -2.155 1.00 0.00 O ATOM 513 CB THR A 38 16.906 8.761 0.068 1.00 0.00 C ATOM 514 OG1 THR A 38 18.255 8.415 -0.266 1.00 0.00 O ATOM 515 CG2 THR A 38 16.422 7.884 1.213 1.00 0.00 C ATOM 0 H THR A 38 16.501 6.567 -1.074 1.00 0.00 H new ATOM 0 HA THR A 38 14.965 8.779 -0.875 1.00 0.00 H new ATOM 0 HB THR A 38 16.866 9.803 0.387 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.825 8.522 0.524 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.077 8.015 2.074 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.405 8.168 1.484 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.436 6.839 0.902 1.00 0.00 H new ATOM 523 N ASP A 39 17.195 9.171 -3.197 1.00 0.00 N ATOM 524 CA ASP A 39 17.658 10.045 -4.269 1.00 0.00 C ATOM 525 C ASP A 39 16.720 9.975 -5.470 1.00 0.00 C ATOM 526 O ASP A 39 16.557 10.953 -6.199 1.00 0.00 O ATOM 527 CB ASP A 39 19.077 9.662 -4.691 1.00 0.00 C ATOM 528 CG ASP A 39 19.101 8.462 -5.618 1.00 0.00 C ATOM 529 OD1 ASP A 39 18.932 7.327 -5.124 1.00 0.00 O ATOM 530 OD2 ASP A 39 19.289 8.658 -6.836 1.00 0.00 O ATOM 0 H ASP A 39 17.523 8.208 -3.267 1.00 0.00 H new ATOM 0 HA ASP A 39 17.663 11.068 -3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.547 10.511 -5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 39 19.671 9.444 -3.803 1.00 0.00 H new ATOM 535 N GLN A 40 16.108 8.813 -5.669 1.00 0.00 N ATOM 536 CA GLN A 40 15.188 8.616 -6.783 1.00 0.00 C ATOM 537 C GLN A 40 13.748 8.525 -6.291 1.00 0.00 C ATOM 538 O GLN A 40 12.877 7.999 -6.983 1.00 0.00 O ATOM 539 CB GLN A 40 15.555 7.349 -7.558 1.00 0.00 C ATOM 540 CG GLN A 40 16.996 7.328 -8.042 1.00 0.00 C ATOM 541 CD GLN A 40 17.182 6.477 -9.283 1.00 0.00 C ATOM 542 OE1 GLN A 40 16.498 5.470 -9.468 1.00 0.00 O ATOM 543 NE2 GLN A 40 18.111 6.879 -10.142 1.00 0.00 N ATOM 0 H GLN A 40 16.232 7.994 -5.074 1.00 0.00 H new ATOM 0 HA GLN A 40 15.272 9.477 -7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.381 6.481 -6.922 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.891 7.253 -8.417 1.00 0.00 H new ATOM 0 HG2 GLN A 40 17.319 8.347 -8.253 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.637 6.949 -7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 40 18.655 7.720 -9.949 1.00 0.00 H new ATOM 0 HE22 GLN A 40 18.281 6.347 -10.995 1.00 0.00 H new ATOM 552 N GLN A 41 13.504 9.041 -5.090 1.00 0.00 N ATOM 553 CA GLN A 41 12.169 9.017 -4.505 1.00 0.00 C ATOM 554 C GLN A 41 11.103 9.248 -5.571 1.00 0.00 C ATOM 555 O GLN A 41 10.860 10.382 -5.985 1.00 0.00 O ATOM 556 CB GLN A 41 12.050 10.078 -3.410 1.00 0.00 C ATOM 557 CG GLN A 41 12.906 9.789 -2.187 1.00 0.00 C ATOM 558 CD GLN A 41 12.610 10.727 -1.033 1.00 0.00 C ATOM 559 OE1 GLN A 41 13.522 11.292 -0.428 1.00 0.00 O ATOM 560 NE2 GLN A 41 11.331 10.897 -0.721 1.00 0.00 N ATOM 0 H GLN A 41 14.214 9.481 -4.504 1.00 0.00 H new ATOM 0 HA GLN A 41 12.010 8.032 -4.066 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.334 11.046 -3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.007 10.156 -3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.739 8.761 -1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.959 9.872 -2.457 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.608 10.409 -1.249 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.071 11.516 0.047 1.00 0.00 H new ATOM 569 N TYR A 42 10.471 8.167 -6.012 1.00 0.00 N ATOM 570 CA TYR A 42 9.433 8.251 -7.032 1.00 0.00 C ATOM 571 C TYR A 42 8.546 9.472 -6.808 1.00 0.00 C ATOM 572 O TYR A 42 7.940 9.995 -7.743 1.00 0.00 O ATOM 573 CB TYR A 42 8.581 6.981 -7.029 1.00 0.00 C ATOM 574 CG TYR A 42 7.556 6.936 -8.141 1.00 0.00 C ATOM 575 CD1 TYR A 42 7.939 6.706 -9.456 1.00 0.00 C ATOM 576 CD2 TYR A 42 6.205 7.122 -7.874 1.00 0.00 C ATOM 577 CE1 TYR A 42 7.007 6.666 -10.475 1.00 0.00 C ATOM 578 CE2 TYR A 42 5.266 7.081 -8.886 1.00 0.00 C ATOM 579 CZ TYR A 42 5.671 6.853 -10.185 1.00 0.00 C ATOM 580 OH TYR A 42 4.739 6.812 -11.196 1.00 0.00 O ATOM 0 H TYR A 42 10.659 7.221 -5.679 1.00 0.00 H new ATOM 0 HA TYR A 42 9.920 8.351 -8.002 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.236 6.114 -7.115 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.069 6.900 -6.070 1.00 0.00 H new ATOM 0 HD1 TYR A 42 8.983 6.556 -9.686 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.884 7.302 -6.859 1.00 0.00 H new ATOM 0 HE1 TYR A 42 7.322 6.489 -11.493 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.220 7.227 -8.662 1.00 0.00 H new ATOM 0 HH TYR A 42 3.845 6.961 -10.823 1.00 0.00 H new ATOM 590 N VAL A 43 8.476 9.922 -5.559 1.00 0.00 N ATOM 591 CA VAL A 43 7.665 11.083 -5.210 1.00 0.00 C ATOM 592 C VAL A 43 8.355 11.936 -4.151 1.00 0.00 C ATOM 593 O VAL A 43 9.314 11.499 -3.515 1.00 0.00 O ATOM 594 CB VAL A 43 6.277 10.662 -4.690 1.00 0.00 C ATOM 595 CG1 VAL A 43 5.240 11.727 -5.016 1.00 0.00 C ATOM 596 CG2 VAL A 43 5.875 9.317 -5.276 1.00 0.00 C ATOM 0 H VAL A 43 8.971 9.501 -4.773 1.00 0.00 H new ATOM 0 HA VAL A 43 7.541 11.669 -6.121 1.00 0.00 H new ATOM 0 HB VAL A 43 6.329 10.559 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.266 11.413 -4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.524 12.668 -4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.186 11.864 -6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.892 9.035 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.839 9.390 -6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.606 8.561 -4.987 1.00 0.00 H new ATOM 606 N SER A 44 7.859 13.155 -3.966 1.00 0.00 N ATOM 607 CA SER A 44 8.429 14.072 -2.986 1.00 0.00 C ATOM 608 C SER A 44 7.938 13.740 -1.581 1.00 0.00 C ATOM 609 O SER A 44 8.607 14.034 -0.591 1.00 0.00 O ATOM 610 CB SER A 44 8.068 15.517 -3.337 1.00 0.00 C ATOM 611 OG SER A 44 6.670 15.729 -3.245 1.00 0.00 O ATOM 0 H SER A 44 7.063 13.531 -4.482 1.00 0.00 H new ATOM 0 HA SER A 44 9.513 13.960 -3.009 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.588 16.199 -2.664 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.408 15.745 -4.347 1.00 0.00 H new ATOM 0 HG SER A 44 6.465 16.660 -3.472 1.00 0.00 H new ATOM 617 N ASN A 45 6.762 13.124 -1.502 1.00 0.00 N ATOM 618 CA ASN A 45 6.179 12.752 -0.218 1.00 0.00 C ATOM 619 C ASN A 45 6.345 11.258 0.042 1.00 0.00 C ATOM 620 O ASN A 45 5.852 10.732 1.040 1.00 0.00 O ATOM 621 CB ASN A 45 4.696 13.126 -0.181 1.00 0.00 C ATOM 622 CG ASN A 45 4.025 12.702 1.112 1.00 0.00 C ATOM 623 OD1 ASN A 45 3.282 11.721 1.146 1.00 0.00 O ATOM 624 ND2 ASN A 45 4.285 13.442 2.183 1.00 0.00 N ATOM 0 H ASN A 45 6.195 12.872 -2.312 1.00 0.00 H new ATOM 0 HA ASN A 45 6.705 13.299 0.564 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.593 14.204 -0.304 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.185 12.659 -1.023 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.862 13.206 3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.907 14.247 2.108 1.00 0.00 H new ATOM 631 N ASP A 46 7.042 10.579 -0.863 1.00 0.00 N ATOM 632 CA ASP A 46 7.274 9.146 -0.732 1.00 0.00 C ATOM 633 C ASP A 46 8.704 8.789 -1.125 1.00 0.00 C ATOM 634 O ASP A 46 9.240 9.315 -2.101 1.00 0.00 O ATOM 635 CB ASP A 46 6.284 8.365 -1.598 1.00 0.00 C ATOM 636 CG ASP A 46 4.946 8.168 -0.913 1.00 0.00 C ATOM 637 OD1 ASP A 46 4.902 7.449 0.107 1.00 0.00 O ATOM 638 OD2 ASP A 46 3.944 8.733 -1.397 1.00 0.00 O ATOM 0 H ASP A 46 7.456 10.999 -1.695 1.00 0.00 H new ATOM 0 HA ASP A 46 7.124 8.873 0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.133 8.894 -2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.710 7.392 -1.844 1.00 0.00 H new ATOM 643 N SER A 47 9.318 7.893 -0.358 1.00 0.00 N ATOM 644 CA SER A 47 10.688 7.470 -0.624 1.00 0.00 C ATOM 645 C SER A 47 10.793 5.948 -0.638 1.00 0.00 C ATOM 646 O SER A 47 11.881 5.391 -0.775 1.00 0.00 O ATOM 647 CB SER A 47 11.636 8.048 0.429 1.00 0.00 C ATOM 648 OG SER A 47 11.537 7.335 1.650 1.00 0.00 O ATOM 0 H SER A 47 8.888 7.446 0.452 1.00 0.00 H new ATOM 0 HA SER A 47 10.974 7.846 -1.606 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.661 8.006 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.400 9.099 0.598 1.00 0.00 H new ATOM 0 HG SER A 47 12.154 7.722 2.306 1.00 0.00 H new ATOM 654 N GLY A 48 9.652 5.281 -0.496 1.00 0.00 N ATOM 655 CA GLY A 48 9.636 3.830 -0.496 1.00 0.00 C ATOM 656 C GLY A 48 9.898 3.246 -1.870 1.00 0.00 C ATOM 657 O GLY A 48 10.368 3.945 -2.768 1.00 0.00 O ATOM 0 H GLY A 48 8.738 5.720 -0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.389 3.462 0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.669 3.481 -0.135 1.00 0.00 H new ATOM 661 N ILE A 49 9.595 1.963 -2.034 1.00 0.00 N ATOM 662 CA ILE A 49 9.801 1.287 -3.308 1.00 0.00 C ATOM 663 C ILE A 49 8.471 0.915 -3.955 1.00 0.00 C ATOM 664 O ILE A 49 7.616 0.292 -3.326 1.00 0.00 O ATOM 665 CB ILE A 49 10.651 0.013 -3.139 1.00 0.00 C ATOM 666 CG1 ILE A 49 11.791 0.262 -2.149 1.00 0.00 C ATOM 667 CG2 ILE A 49 11.199 -0.441 -4.483 1.00 0.00 C ATOM 668 CD1 ILE A 49 12.776 1.312 -2.615 1.00 0.00 C ATOM 0 H ILE A 49 9.206 1.371 -1.300 1.00 0.00 H new ATOM 0 HA ILE A 49 10.333 1.986 -3.953 1.00 0.00 H new ATOM 0 HB ILE A 49 10.016 -0.779 -2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.370 0.570 -1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 49 12.323 -0.674 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.797 -1.342 -4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.372 -0.654 -5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.821 0.347 -4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 49 13.557 1.437 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 49 13.225 0.997 -3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 49 12.257 2.259 -2.759 1.00 0.00 H new ATOM 680 N TYR A 50 8.305 1.299 -5.216 1.00 0.00 N ATOM 681 CA TYR A 50 7.079 1.007 -5.948 1.00 0.00 C ATOM 682 C TYR A 50 7.386 0.292 -7.261 1.00 0.00 C ATOM 683 O TYR A 50 8.547 0.056 -7.596 1.00 0.00 O ATOM 684 CB TYR A 50 6.306 2.298 -6.227 1.00 0.00 C ATOM 685 CG TYR A 50 5.976 3.087 -4.980 1.00 0.00 C ATOM 686 CD1 TYR A 50 6.957 3.806 -4.309 1.00 0.00 C ATOM 687 CD2 TYR A 50 4.683 3.113 -4.473 1.00 0.00 C ATOM 688 CE1 TYR A 50 6.660 4.528 -3.169 1.00 0.00 C ATOM 689 CE2 TYR A 50 4.376 3.833 -3.335 1.00 0.00 C ATOM 690 CZ TYR A 50 5.368 4.538 -2.686 1.00 0.00 C ATOM 691 OH TYR A 50 5.068 5.257 -1.552 1.00 0.00 O ATOM 0 H TYR A 50 9.004 1.813 -5.752 1.00 0.00 H new ATOM 0 HA TYR A 50 6.466 0.350 -5.331 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.892 2.925 -6.899 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.380 2.052 -6.747 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.969 3.801 -4.685 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.904 2.561 -4.977 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.435 5.081 -2.659 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.365 3.844 -2.956 1.00 0.00 H new ATOM 0 HH TYR A 50 4.115 5.160 -1.346 1.00 0.00 H new ATOM 701 N VAL A 51 6.336 -0.051 -8.000 1.00 0.00 N ATOM 702 CA VAL A 51 6.491 -0.738 -9.277 1.00 0.00 C ATOM 703 C VAL A 51 6.121 0.175 -10.440 1.00 0.00 C ATOM 704 O VAL A 51 5.000 0.679 -10.516 1.00 0.00 O ATOM 705 CB VAL A 51 5.623 -2.008 -9.339 1.00 0.00 C ATOM 706 CG1 VAL A 51 5.847 -2.744 -10.652 1.00 0.00 C ATOM 707 CG2 VAL A 51 5.919 -2.914 -8.154 1.00 0.00 C ATOM 0 H VAL A 51 5.368 0.136 -7.736 1.00 0.00 H new ATOM 0 HA VAL A 51 7.541 -1.020 -9.360 1.00 0.00 H new ATOM 0 HB VAL A 51 4.575 -1.713 -9.289 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.225 -3.639 -10.678 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.580 -2.093 -11.484 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.896 -3.028 -10.735 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.296 -3.807 -8.214 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.970 -3.203 -8.170 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.703 -2.383 -7.227 1.00 0.00 H new ATOM 717 N SER A 52 7.070 0.384 -11.347 1.00 0.00 N ATOM 718 CA SER A 52 6.846 1.239 -12.506 1.00 0.00 C ATOM 719 C SER A 52 6.245 0.443 -13.661 1.00 0.00 C ATOM 720 O SER A 52 5.267 0.865 -14.278 1.00 0.00 O ATOM 721 CB SER A 52 8.158 1.890 -12.949 1.00 0.00 C ATOM 722 OG SER A 52 8.053 2.407 -14.264 1.00 0.00 O ATOM 0 H SER A 52 8.002 -0.028 -11.301 1.00 0.00 H new ATOM 0 HA SER A 52 6.141 2.019 -12.219 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.420 2.692 -12.259 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.964 1.157 -12.906 1.00 0.00 H new ATOM 0 HG SER A 52 8.904 2.819 -14.522 1.00 0.00 H new ATOM 728 N ARG A 53 6.838 -0.712 -13.946 1.00 0.00 N ATOM 729 CA ARG A 53 6.363 -1.568 -15.026 1.00 0.00 C ATOM 730 C ARG A 53 6.598 -3.039 -14.698 1.00 0.00 C ATOM 731 O ARG A 53 7.455 -3.373 -13.879 1.00 0.00 O ATOM 732 CB ARG A 53 7.066 -1.208 -16.337 1.00 0.00 C ATOM 733 CG ARG A 53 6.330 -1.692 -17.575 1.00 0.00 C ATOM 734 CD ARG A 53 5.001 -0.973 -17.749 1.00 0.00 C ATOM 735 NE ARG A 53 4.341 -1.339 -18.999 1.00 0.00 N ATOM 736 CZ ARG A 53 4.698 -0.862 -20.186 1.00 0.00 C ATOM 737 NH1 ARG A 53 5.705 -0.005 -20.284 1.00 0.00 N ATOM 738 NH2 ARG A 53 4.048 -1.242 -21.279 1.00 0.00 N ATOM 0 H ARG A 53 7.648 -1.076 -13.444 1.00 0.00 H new ATOM 0 HA ARG A 53 5.291 -1.406 -15.139 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.181 -0.125 -16.393 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.069 -1.635 -16.331 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.951 -1.529 -18.456 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.157 -2.766 -17.501 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.347 -1.212 -16.910 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.166 0.104 -17.728 1.00 0.00 H new ATOM 0 HE ARG A 53 3.563 -1.997 -18.958 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.207 0.289 -19.447 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.977 0.360 -21.197 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.273 -1.901 -21.208 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.323 -0.875 -22.190 1.00 0.00 H new ATOM 752 N ILE A 54 5.831 -3.913 -15.340 1.00 0.00 N ATOM 753 CA ILE A 54 5.957 -5.348 -15.116 1.00 0.00 C ATOM 754 C ILE A 54 6.064 -6.103 -16.437 1.00 0.00 C ATOM 755 O ILE A 54 5.291 -5.866 -17.365 1.00 0.00 O ATOM 756 CB ILE A 54 4.761 -5.900 -14.318 1.00 0.00 C ATOM 757 CG1 ILE A 54 4.768 -5.339 -12.895 1.00 0.00 C ATOM 758 CG2 ILE A 54 4.796 -7.421 -14.294 1.00 0.00 C ATOM 759 CD1 ILE A 54 3.537 -5.705 -12.095 1.00 0.00 C ATOM 0 H ILE A 54 5.116 -3.653 -16.019 1.00 0.00 H new ATOM 0 HA ILE A 54 6.869 -5.499 -14.539 1.00 0.00 H new ATOM 0 HB ILE A 54 3.840 -5.586 -14.808 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.652 -5.705 -12.373 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.852 -4.253 -12.942 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.944 -7.796 -13.726 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.748 -7.802 -15.314 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.721 -7.756 -13.824 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.610 -5.274 -11.097 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.650 -5.316 -12.594 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.463 -6.790 -12.017 1.00 0.00 H new ATOM 771 N LYS A 55 7.026 -7.016 -16.514 1.00 0.00 N ATOM 772 CA LYS A 55 7.234 -7.810 -17.719 1.00 0.00 C ATOM 773 C LYS A 55 5.959 -8.550 -18.110 1.00 0.00 C ATOM 774 O LYS A 55 5.104 -8.819 -17.267 1.00 0.00 O ATOM 775 CB LYS A 55 8.372 -8.811 -17.505 1.00 0.00 C ATOM 776 CG LYS A 55 9.739 -8.267 -17.883 1.00 0.00 C ATOM 777 CD LYS A 55 10.390 -7.537 -16.720 1.00 0.00 C ATOM 778 CE LYS A 55 11.322 -6.437 -17.204 1.00 0.00 C ATOM 779 NZ LYS A 55 11.592 -5.430 -16.140 1.00 0.00 N ATOM 0 H LYS A 55 7.675 -7.225 -15.755 1.00 0.00 H new ATOM 0 HA LYS A 55 7.502 -7.132 -18.529 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.387 -9.113 -16.458 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.172 -9.707 -18.092 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.381 -9.087 -18.205 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.640 -7.588 -18.730 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.618 -7.107 -16.081 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.949 -8.247 -16.110 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.263 -6.877 -17.534 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.881 -5.942 -18.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.231 -4.697 -16.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.697 -4.991 -15.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.036 -5.898 -15.324 1.00 0.00 H new ATOM 793 N GLU A 56 5.840 -8.877 -19.393 1.00 0.00 N ATOM 794 CA GLU A 56 4.668 -9.587 -19.893 1.00 0.00 C ATOM 795 C GLU A 56 4.820 -11.093 -19.699 1.00 0.00 C ATOM 796 O GLU A 56 3.841 -11.801 -19.469 1.00 0.00 O ATOM 797 CB GLU A 56 4.449 -9.273 -21.375 1.00 0.00 C ATOM 798 CG GLU A 56 5.670 -9.534 -22.240 1.00 0.00 C ATOM 799 CD GLU A 56 6.618 -8.352 -22.284 1.00 0.00 C ATOM 800 OE1 GLU A 56 6.157 -7.213 -22.064 1.00 0.00 O ATOM 801 OE2 GLU A 56 7.822 -8.567 -22.537 1.00 0.00 O ATOM 0 H GLU A 56 6.539 -8.662 -20.104 1.00 0.00 H new ATOM 0 HA GLU A 56 3.801 -9.250 -19.325 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.617 -9.872 -21.745 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.159 -8.227 -21.477 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.201 -10.406 -21.859 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.348 -9.774 -23.253 1.00 0.00 H new ATOM 808 N ASN A 57 6.056 -11.574 -19.793 1.00 0.00 N ATOM 809 CA ASN A 57 6.337 -12.996 -19.628 1.00 0.00 C ATOM 810 C ASN A 57 7.253 -13.234 -18.432 1.00 0.00 C ATOM 811 O ASN A 57 8.123 -14.104 -18.467 1.00 0.00 O ATOM 812 CB ASN A 57 6.979 -13.560 -20.897 1.00 0.00 C ATOM 813 CG ASN A 57 6.025 -13.560 -22.077 1.00 0.00 C ATOM 814 OD1 ASN A 57 4.939 -14.135 -22.011 1.00 0.00 O ATOM 815 ND2 ASN A 57 6.429 -12.913 -23.164 1.00 0.00 N ATOM 0 H ASN A 57 6.878 -11.001 -19.982 1.00 0.00 H new ATOM 0 HA ASN A 57 5.393 -13.510 -19.447 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.862 -12.971 -21.147 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.318 -14.578 -20.708 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.830 -12.879 -23.989 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.338 -12.450 -23.174 1.00 0.00 H new ATOM 822 N GLY A 58 7.051 -12.455 -17.374 1.00 0.00 N ATOM 823 CA GLY A 58 7.866 -12.597 -16.181 1.00 0.00 C ATOM 824 C GLY A 58 7.094 -13.190 -15.019 1.00 0.00 C ATOM 825 O GLY A 58 5.872 -13.319 -15.078 1.00 0.00 O ATOM 0 H GLY A 58 6.338 -11.728 -17.321 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.724 -13.231 -16.404 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.257 -11.621 -15.893 1.00 0.00 H new ATOM 829 N ALA A 59 7.809 -13.552 -13.959 1.00 0.00 N ATOM 830 CA ALA A 59 7.184 -14.134 -12.778 1.00 0.00 C ATOM 831 C ALA A 59 6.062 -13.243 -12.256 1.00 0.00 C ATOM 832 O ALA A 59 5.005 -13.730 -11.855 1.00 0.00 O ATOM 833 CB ALA A 59 8.223 -14.368 -11.692 1.00 0.00 C ATOM 0 H ALA A 59 8.822 -13.452 -13.894 1.00 0.00 H new ATOM 0 HA ALA A 59 6.750 -15.092 -13.062 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.742 -14.803 -10.816 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.989 -15.050 -12.062 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.684 -13.419 -11.419 1.00 0.00 H new ATOM 839 N ALA A 60 6.298 -11.936 -12.264 1.00 0.00 N ATOM 840 CA ALA A 60 5.307 -10.977 -11.792 1.00 0.00 C ATOM 841 C ALA A 60 4.066 -10.989 -12.679 1.00 0.00 C ATOM 842 O ALA A 60 3.001 -10.521 -12.278 1.00 0.00 O ATOM 843 CB ALA A 60 5.907 -9.580 -11.740 1.00 0.00 C ATOM 0 H ALA A 60 7.168 -11.516 -12.592 1.00 0.00 H new ATOM 0 HA ALA A 60 5.006 -11.269 -10.786 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.156 -8.874 -11.386 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.759 -9.575 -11.060 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.237 -9.288 -12.737 1.00 0.00 H new ATOM 849 N ALA A 61 4.212 -11.527 -13.885 1.00 0.00 N ATOM 850 CA ALA A 61 3.103 -11.601 -14.828 1.00 0.00 C ATOM 851 C ALA A 61 2.325 -12.902 -14.659 1.00 0.00 C ATOM 852 O ALA A 61 1.103 -12.892 -14.510 1.00 0.00 O ATOM 853 CB ALA A 61 3.614 -11.470 -16.255 1.00 0.00 C ATOM 0 H ALA A 61 5.088 -11.918 -14.232 1.00 0.00 H new ATOM 0 HA ALA A 61 2.425 -10.773 -14.620 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.775 -11.527 -16.949 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.119 -10.511 -16.374 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.315 -12.278 -16.466 1.00 0.00 H new ATOM 859 N LEU A 62 3.041 -14.021 -14.685 1.00 0.00 N ATOM 860 CA LEU A 62 2.417 -15.331 -14.535 1.00 0.00 C ATOM 861 C LEU A 62 1.638 -15.418 -13.227 1.00 0.00 C ATOM 862 O LEU A 62 0.457 -15.766 -13.218 1.00 0.00 O ATOM 863 CB LEU A 62 3.479 -16.432 -14.584 1.00 0.00 C ATOM 864 CG LEU A 62 4.331 -16.487 -15.852 1.00 0.00 C ATOM 865 CD1 LEU A 62 5.651 -17.190 -15.578 1.00 0.00 C ATOM 866 CD2 LEU A 62 3.575 -17.186 -16.973 1.00 0.00 C ATOM 0 H LEU A 62 4.053 -14.047 -14.808 1.00 0.00 H new ATOM 0 HA LEU A 62 1.719 -15.470 -15.361 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.143 -16.306 -13.729 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.982 -17.394 -14.462 1.00 0.00 H new ATOM 0 HG LEU A 62 4.545 -15.466 -16.167 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.244 -17.220 -16.492 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.199 -16.648 -14.807 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.458 -18.207 -15.238 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.197 -17.216 -17.868 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.330 -18.203 -16.667 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.656 -16.640 -17.188 1.00 0.00 H new ATOM 878 N ASP A 63 2.306 -15.097 -12.124 1.00 0.00 N ATOM 879 CA ASP A 63 1.676 -15.135 -10.810 1.00 0.00 C ATOM 880 C ASP A 63 0.396 -14.305 -10.797 1.00 0.00 C ATOM 881 O ASP A 63 -0.602 -14.694 -10.191 1.00 0.00 O ATOM 882 CB ASP A 63 2.643 -14.621 -9.742 1.00 0.00 C ATOM 883 CG ASP A 63 3.589 -15.699 -9.251 1.00 0.00 C ATOM 884 OD1 ASP A 63 3.233 -16.404 -8.284 1.00 0.00 O ATOM 885 OD2 ASP A 63 4.686 -15.836 -9.832 1.00 0.00 O ATOM 0 H ASP A 63 3.284 -14.808 -12.114 1.00 0.00 H new ATOM 0 HA ASP A 63 1.418 -16.171 -10.587 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.222 -13.792 -10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.074 -14.229 -8.899 1.00 0.00 H new ATOM 890 N GLY A 64 0.433 -13.158 -11.469 1.00 0.00 N ATOM 891 CA GLY A 64 -0.729 -12.291 -11.521 1.00 0.00 C ATOM 892 C GLY A 64 -0.868 -11.433 -10.279 1.00 0.00 C ATOM 893 O GLY A 64 -1.163 -10.241 -10.370 1.00 0.00 O ATOM 0 H GLY A 64 1.247 -12.814 -11.978 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.659 -11.647 -12.398 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.626 -12.898 -11.642 1.00 0.00 H new ATOM 897 N ARG A 65 -0.656 -12.039 -9.116 1.00 0.00 N ATOM 898 CA ARG A 65 -0.762 -11.323 -7.850 1.00 0.00 C ATOM 899 C ARG A 65 -0.175 -9.920 -7.969 1.00 0.00 C ATOM 900 O ARG A 65 -0.907 -8.930 -8.006 1.00 0.00 O ATOM 901 CB ARG A 65 -0.045 -12.096 -6.741 1.00 0.00 C ATOM 902 CG ARG A 65 -0.870 -13.233 -6.160 1.00 0.00 C ATOM 903 CD ARG A 65 -0.127 -13.943 -5.039 1.00 0.00 C ATOM 904 NE ARG A 65 0.970 -14.764 -5.544 1.00 0.00 N ATOM 905 CZ ARG A 65 1.476 -15.800 -4.885 1.00 0.00 C ATOM 906 NH1 ARG A 65 0.986 -16.140 -3.701 1.00 0.00 N ATOM 907 NH2 ARG A 65 2.475 -16.499 -5.410 1.00 0.00 N ATOM 0 H ARG A 65 -0.410 -13.024 -9.024 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.819 -11.236 -7.597 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.887 -12.500 -7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.220 -11.405 -5.941 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.815 -12.842 -5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.113 -13.947 -6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.265 -13.205 -4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.823 -14.571 -4.483 1.00 0.00 H new ATOM 0 HE ARG A 65 1.369 -14.529 -6.453 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.218 -15.605 -3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.376 -16.936 -3.197 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.855 -16.241 -6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.863 -17.294 -4.903 1.00 0.00 H new ATOM 921 N LEU A 66 1.150 -9.841 -8.026 1.00 0.00 N ATOM 922 CA LEU A 66 1.836 -8.559 -8.140 1.00 0.00 C ATOM 923 C LEU A 66 1.286 -7.748 -9.309 1.00 0.00 C ATOM 924 O LEU A 66 1.091 -8.275 -10.404 1.00 0.00 O ATOM 925 CB LEU A 66 3.340 -8.777 -8.319 1.00 0.00 C ATOM 926 CG LEU A 66 4.224 -7.544 -8.131 1.00 0.00 C ATOM 927 CD1 LEU A 66 4.554 -7.344 -6.660 1.00 0.00 C ATOM 928 CD2 LEU A 66 5.499 -7.671 -8.952 1.00 0.00 C ATOM 0 H LEU A 66 1.771 -10.650 -7.995 1.00 0.00 H new ATOM 0 HA LEU A 66 1.663 -8.000 -7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.663 -9.542 -7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.513 -9.174 -9.319 1.00 0.00 H new ATOM 0 HG LEU A 66 3.675 -6.670 -8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.184 -6.462 -6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.632 -7.207 -6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.083 -8.219 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.116 -6.784 -8.806 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.052 -8.554 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.244 -7.766 -10.008 1.00 0.00 H new ATOM 940 N GLN A 67 1.039 -6.465 -9.068 1.00 0.00 N ATOM 941 CA GLN A 67 0.512 -5.581 -10.101 1.00 0.00 C ATOM 942 C GLN A 67 1.182 -4.213 -10.041 1.00 0.00 C ATOM 943 O GLN A 67 1.580 -3.753 -8.971 1.00 0.00 O ATOM 944 CB GLN A 67 -1.002 -5.428 -9.948 1.00 0.00 C ATOM 945 CG GLN A 67 -1.418 -4.787 -8.634 1.00 0.00 C ATOM 946 CD GLN A 67 -2.906 -4.502 -8.570 1.00 0.00 C ATOM 947 OE1 GLN A 67 -3.618 -5.044 -7.724 1.00 0.00 O ATOM 948 NE2 GLN A 67 -3.384 -3.646 -9.465 1.00 0.00 N ATOM 0 H GLN A 67 1.195 -6.014 -8.167 1.00 0.00 H new ATOM 0 HA GLN A 67 0.728 -6.029 -11.071 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.383 -4.826 -10.773 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.468 -6.410 -10.027 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.142 -5.445 -7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.867 -3.856 -8.498 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.758 -3.220 -10.148 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.377 -3.414 -9.469 1.00 0.00 H new ATOM 957 N GLU A 68 1.304 -3.567 -11.197 1.00 0.00 N ATOM 958 CA GLU A 68 1.928 -2.251 -11.274 1.00 0.00 C ATOM 959 C GLU A 68 1.260 -1.276 -10.309 1.00 0.00 C ATOM 960 O GLU A 68 0.082 -1.415 -9.984 1.00 0.00 O ATOM 961 CB GLU A 68 1.848 -1.708 -12.702 1.00 0.00 C ATOM 962 CG GLU A 68 2.803 -2.390 -13.667 1.00 0.00 C ATOM 963 CD GLU A 68 2.385 -2.226 -15.115 1.00 0.00 C ATOM 964 OE1 GLU A 68 1.932 -1.122 -15.482 1.00 0.00 O ATOM 965 OE2 GLU A 68 2.511 -3.204 -15.882 1.00 0.00 O ATOM 0 H GLU A 68 0.979 -3.933 -12.092 1.00 0.00 H new ATOM 0 HA GLU A 68 2.975 -2.356 -10.991 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.829 -1.825 -13.070 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.061 -0.639 -12.688 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.804 -1.979 -13.533 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.859 -3.452 -13.427 1.00 0.00 H new ATOM 972 N GLY A 69 2.024 -0.287 -9.853 1.00 0.00 N ATOM 973 CA GLY A 69 1.491 0.697 -8.930 1.00 0.00 C ATOM 974 C GLY A 69 1.491 0.206 -7.496 1.00 0.00 C ATOM 975 O GLY A 69 0.879 0.820 -6.622 1.00 0.00 O ATOM 0 H GLY A 69 3.002 -0.150 -10.107 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.081 1.611 -8.998 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.473 0.952 -9.224 1.00 0.00 H new ATOM 979 N ASP A 70 2.177 -0.906 -7.253 1.00 0.00 N ATOM 980 CA ASP A 70 2.253 -1.480 -5.914 1.00 0.00 C ATOM 981 C ASP A 70 3.438 -0.907 -5.144 1.00 0.00 C ATOM 982 O ASP A 70 4.504 -0.666 -5.711 1.00 0.00 O ATOM 983 CB ASP A 70 2.370 -3.003 -5.996 1.00 0.00 C ATOM 984 CG ASP A 70 1.024 -3.678 -6.172 1.00 0.00 C ATOM 985 OD1 ASP A 70 0.017 -2.959 -6.334 1.00 0.00 O ATOM 986 OD2 ASP A 70 0.978 -4.926 -6.146 1.00 0.00 O ATOM 0 H ASP A 70 2.688 -1.428 -7.965 1.00 0.00 H new ATOM 0 HA ASP A 70 1.338 -1.221 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.019 -3.270 -6.830 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.845 -3.377 -5.089 1.00 0.00 H new ATOM 991 N LYS A 71 3.245 -0.689 -3.847 1.00 0.00 N ATOM 992 CA LYS A 71 4.296 -0.144 -2.997 1.00 0.00 C ATOM 993 C LYS A 71 4.857 -1.218 -2.069 1.00 0.00 C ATOM 994 O LYS A 71 4.295 -1.488 -1.008 1.00 0.00 O ATOM 995 CB LYS A 71 3.758 1.027 -2.173 1.00 0.00 C ATOM 996 CG LYS A 71 4.820 1.720 -1.335 1.00 0.00 C ATOM 997 CD LYS A 71 5.132 0.936 -0.072 1.00 0.00 C ATOM 998 CE LYS A 71 5.865 1.793 0.949 1.00 0.00 C ATOM 999 NZ LYS A 71 5.005 2.890 1.472 1.00 0.00 N ATOM 0 H LYS A 71 2.369 -0.882 -3.362 1.00 0.00 H new ATOM 0 HA LYS A 71 5.101 0.212 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.305 1.756 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.967 0.665 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.729 1.839 -1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.479 2.720 -1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.205 0.562 0.364 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.740 0.067 -0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.198 1.167 1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.758 2.218 0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.370 3.208 2.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.012 3.686 0.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.031 2.543 1.587 1.00 0.00 H new ATOM 1013 N ILE A 72 5.967 -1.824 -2.476 1.00 0.00 N ATOM 1014 CA ILE A 72 6.604 -2.865 -1.680 1.00 0.00 C ATOM 1015 C ILE A 72 7.074 -2.319 -0.336 1.00 0.00 C ATOM 1016 O ILE A 72 8.161 -1.751 -0.230 1.00 0.00 O ATOM 1017 CB ILE A 72 7.805 -3.484 -2.418 1.00 0.00 C ATOM 1018 CG1 ILE A 72 7.359 -4.075 -3.757 1.00 0.00 C ATOM 1019 CG2 ILE A 72 8.466 -4.549 -1.556 1.00 0.00 C ATOM 1020 CD1 ILE A 72 8.438 -4.052 -4.817 1.00 0.00 C ATOM 0 H ILE A 72 6.444 -1.612 -3.352 1.00 0.00 H new ATOM 0 HA ILE A 72 5.853 -3.638 -1.514 1.00 0.00 H new ATOM 0 HB ILE A 72 8.536 -2.699 -2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.036 -5.104 -3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.493 -3.521 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.313 -4.977 -2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.814 -4.100 -0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.745 -5.335 -1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.052 -4.486 -5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.745 -3.023 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.296 -4.631 -4.475 1.00 0.00 H new ATOM 1032 N LEU A 73 6.248 -2.497 0.690 1.00 0.00 N ATOM 1033 CA LEU A 73 6.579 -2.023 2.029 1.00 0.00 C ATOM 1034 C LEU A 73 7.885 -2.642 2.518 1.00 0.00 C ATOM 1035 O LEU A 73 8.865 -1.938 2.760 1.00 0.00 O ATOM 1036 CB LEU A 73 5.448 -2.356 3.004 1.00 0.00 C ATOM 1037 CG LEU A 73 4.063 -1.828 2.630 1.00 0.00 C ATOM 1038 CD1 LEU A 73 2.976 -2.699 3.240 1.00 0.00 C ATOM 1039 CD2 LEU A 73 3.905 -0.382 3.078 1.00 0.00 C ATOM 0 H LEU A 73 5.345 -2.966 0.620 1.00 0.00 H new ATOM 0 HA LEU A 73 6.705 -0.941 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.387 -3.440 3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.713 -1.961 3.985 1.00 0.00 H new ATOM 0 HG LEU A 73 3.962 -1.865 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.997 -2.307 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.077 -3.719 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.074 -2.696 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.913 -0.022 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.027 -0.321 4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.662 0.234 2.592 1.00 0.00 H new ATOM 1051 N SER A 74 7.891 -3.964 2.659 1.00 0.00 N ATOM 1052 CA SER A 74 9.076 -4.678 3.120 1.00 0.00 C ATOM 1053 C SER A 74 9.303 -5.942 2.297 1.00 0.00 C ATOM 1054 O SER A 74 8.389 -6.443 1.642 1.00 0.00 O ATOM 1055 CB SER A 74 8.937 -5.037 4.600 1.00 0.00 C ATOM 1056 OG SER A 74 8.429 -3.944 5.345 1.00 0.00 O ATOM 0 H SER A 74 7.089 -4.562 2.461 1.00 0.00 H new ATOM 0 HA SER A 74 9.938 -4.023 2.992 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.273 -5.895 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.908 -5.333 4.998 1.00 0.00 H new ATOM 0 HG SER A 74 8.348 -4.200 6.288 1.00 0.00 H new ATOM 1062 N VAL A 75 10.530 -6.453 2.335 1.00 0.00 N ATOM 1063 CA VAL A 75 10.878 -7.660 1.594 1.00 0.00 C ATOM 1064 C VAL A 75 11.402 -8.746 2.528 1.00 0.00 C ATOM 1065 O VAL A 75 12.444 -8.584 3.161 1.00 0.00 O ATOM 1066 CB VAL A 75 11.939 -7.370 0.516 1.00 0.00 C ATOM 1067 CG1 VAL A 75 12.248 -8.627 -0.282 1.00 0.00 C ATOM 1068 CG2 VAL A 75 11.473 -6.248 -0.400 1.00 0.00 C ATOM 0 H VAL A 75 11.299 -6.050 2.871 1.00 0.00 H new ATOM 0 HA VAL A 75 9.966 -8.009 1.111 1.00 0.00 H new ATOM 0 HB VAL A 75 12.856 -7.049 1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.000 -8.402 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.627 -9.399 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.339 -8.982 -0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.234 -6.056 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.543 -6.539 -0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.308 -5.344 0.187 1.00 0.00 H new ATOM 1078 N ASN A 76 10.672 -9.853 2.607 1.00 0.00 N ATOM 1079 CA ASN A 76 11.063 -10.967 3.463 1.00 0.00 C ATOM 1080 C ASN A 76 11.149 -10.528 4.922 1.00 0.00 C ATOM 1081 O ASN A 76 11.930 -11.074 5.700 1.00 0.00 O ATOM 1082 CB ASN A 76 12.409 -11.538 3.010 1.00 0.00 C ATOM 1083 CG ASN A 76 12.304 -12.300 1.703 1.00 0.00 C ATOM 1084 OD1 ASN A 76 11.516 -13.238 1.581 1.00 0.00 O ATOM 1085 ND2 ASN A 76 13.099 -11.898 0.719 1.00 0.00 N ATOM 0 H ASN A 76 9.806 -10.003 2.089 1.00 0.00 H new ATOM 0 HA ASN A 76 10.301 -11.742 3.380 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.126 -10.725 2.897 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.798 -12.200 3.783 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.072 -12.372 -0.184 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.737 -11.115 0.866 1.00 0.00 H new ATOM 1092 N GLY A 77 10.341 -9.537 5.284 1.00 0.00 N ATOM 1093 CA GLY A 77 10.340 -9.041 6.648 1.00 0.00 C ATOM 1094 C GLY A 77 11.365 -7.945 6.867 1.00 0.00 C ATOM 1095 O GLY A 77 11.684 -7.604 8.006 1.00 0.00 O ATOM 0 H GLY A 77 9.687 -9.068 4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.348 -8.661 6.892 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.543 -9.866 7.331 1.00 0.00 H new ATOM 1099 N GLN A 78 11.884 -7.395 5.774 1.00 0.00 N ATOM 1100 CA GLN A 78 12.881 -6.334 5.853 1.00 0.00 C ATOM 1101 C GLN A 78 12.306 -5.010 5.360 1.00 0.00 C ATOM 1102 O GLN A 78 12.163 -4.794 4.156 1.00 0.00 O ATOM 1103 CB GLN A 78 14.117 -6.705 5.031 1.00 0.00 C ATOM 1104 CG GLN A 78 14.724 -8.044 5.416 1.00 0.00 C ATOM 1105 CD GLN A 78 15.928 -8.404 4.568 1.00 0.00 C ATOM 1106 OE1 GLN A 78 16.916 -7.671 4.527 1.00 0.00 O ATOM 1107 NE2 GLN A 78 15.851 -9.540 3.884 1.00 0.00 N ATOM 0 H GLN A 78 11.631 -7.666 4.824 1.00 0.00 H new ATOM 0 HA GLN A 78 13.170 -6.217 6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 78 13.847 -6.728 3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 78 14.870 -5.926 5.151 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.018 -8.017 6.465 1.00 0.00 H new ATOM 0 HG3 GLN A 78 13.968 -8.823 5.317 1.00 0.00 H new ATOM 0 HE21 GLN A 78 15.013 -10.118 3.947 1.00 0.00 H new ATOM 0 HE22 GLN A 78 16.630 -9.835 3.296 1.00 0.00 H new ATOM 1116 N ASP A 79 11.979 -4.128 6.297 1.00 0.00 N ATOM 1117 CA ASP A 79 11.420 -2.824 5.959 1.00 0.00 C ATOM 1118 C ASP A 79 12.328 -2.080 4.984 1.00 0.00 C ATOM 1119 O ASP A 79 13.542 -2.006 5.183 1.00 0.00 O ATOM 1120 CB ASP A 79 11.216 -1.988 7.223 1.00 0.00 C ATOM 1121 CG ASP A 79 10.580 -2.784 8.346 1.00 0.00 C ATOM 1122 OD1 ASP A 79 11.314 -3.512 9.048 1.00 0.00 O ATOM 1123 OD2 ASP A 79 9.349 -2.679 8.524 1.00 0.00 O ATOM 0 H ASP A 79 12.091 -4.292 7.297 1.00 0.00 H new ATOM 0 HA ASP A 79 10.454 -2.984 5.480 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.178 -1.598 7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.588 -1.128 6.989 1.00 0.00 H new ATOM 1128 N LEU A 80 11.734 -1.533 3.930 1.00 0.00 N ATOM 1129 CA LEU A 80 12.489 -0.795 2.923 1.00 0.00 C ATOM 1130 C LEU A 80 12.339 0.709 3.123 1.00 0.00 C ATOM 1131 O LEU A 80 11.402 1.324 2.612 1.00 0.00 O ATOM 1132 CB LEU A 80 12.020 -1.184 1.520 1.00 0.00 C ATOM 1133 CG LEU A 80 12.188 -2.656 1.140 1.00 0.00 C ATOM 1134 CD1 LEU A 80 11.268 -3.016 -0.017 1.00 0.00 C ATOM 1135 CD2 LEU A 80 13.637 -2.953 0.784 1.00 0.00 C ATOM 0 H LEU A 80 10.731 -1.586 3.750 1.00 0.00 H new ATOM 0 HA LEU A 80 13.542 -1.053 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.966 -0.923 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.564 -0.578 0.796 1.00 0.00 H new ATOM 0 HG LEU A 80 11.914 -3.267 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.401 -4.067 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.232 -2.842 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.511 -2.398 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.738 -4.005 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 80 13.939 -2.333 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 80 14.274 -2.734 1.641 1.00 0.00 H new ATOM 1147 N LYS A 81 13.268 1.298 3.868 1.00 0.00 N ATOM 1148 CA LYS A 81 13.243 2.731 4.133 1.00 0.00 C ATOM 1149 C LYS A 81 14.654 3.273 4.335 1.00 0.00 C ATOM 1150 O LYS A 81 15.587 2.516 4.604 1.00 0.00 O ATOM 1151 CB LYS A 81 12.390 3.027 5.370 1.00 0.00 C ATOM 1152 CG LYS A 81 10.993 2.436 5.300 1.00 0.00 C ATOM 1153 CD LYS A 81 10.071 3.062 6.333 1.00 0.00 C ATOM 1154 CE LYS A 81 10.397 2.579 7.737 1.00 0.00 C ATOM 1155 NZ LYS A 81 9.334 2.951 8.713 1.00 0.00 N ATOM 0 H LYS A 81 14.049 0.804 4.300 1.00 0.00 H new ATOM 0 HA LYS A 81 12.803 3.227 3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.897 2.637 6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.313 4.107 5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.581 2.590 4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.044 1.359 5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.160 4.148 6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.036 2.817 6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.520 1.496 7.729 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.348 3.005 8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.594 2.604 9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.234 3.986 8.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.431 2.523 8.423 1.00 0.00 H new ATOM 1169 N ASN A 82 14.803 4.587 4.205 1.00 0.00 N ATOM 1170 CA ASN A 82 16.102 5.229 4.374 1.00 0.00 C ATOM 1171 C ASN A 82 17.178 4.498 3.578 1.00 0.00 C ATOM 1172 O ASN A 82 18.290 4.286 4.065 1.00 0.00 O ATOM 1173 CB ASN A 82 16.485 5.270 5.855 1.00 0.00 C ATOM 1174 CG ASN A 82 15.421 5.929 6.710 1.00 0.00 C ATOM 1175 OD1 ASN A 82 15.525 7.108 7.051 1.00 0.00 O ATOM 1176 ND2 ASN A 82 14.389 5.170 7.060 1.00 0.00 N ATOM 0 H ASN A 82 14.041 5.228 3.983 1.00 0.00 H new ATOM 0 HA ASN A 82 16.027 6.249 3.997 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.656 4.254 6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.425 5.810 5.969 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.641 5.559 7.634 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.344 4.198 6.755 1.00 0.00 H new ATOM 1183 N LEU A 83 16.842 4.115 2.351 1.00 0.00 N ATOM 1184 CA LEU A 83 17.779 3.408 1.486 1.00 0.00 C ATOM 1185 C LEU A 83 17.800 4.021 0.090 1.00 0.00 C ATOM 1186 O LEU A 83 16.891 4.759 -0.290 1.00 0.00 O ATOM 1187 CB LEU A 83 17.407 1.927 1.400 1.00 0.00 C ATOM 1188 CG LEU A 83 15.911 1.612 1.374 1.00 0.00 C ATOM 1189 CD1 LEU A 83 15.297 2.044 0.051 1.00 0.00 C ATOM 1190 CD2 LEU A 83 15.674 0.128 1.614 1.00 0.00 C ATOM 0 H LEU A 83 15.927 4.283 1.933 1.00 0.00 H new ATOM 0 HA LEU A 83 18.775 3.501 1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.861 1.510 0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.852 1.411 2.251 1.00 0.00 H new ATOM 0 HG LEU A 83 15.428 2.171 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.232 1.812 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.434 3.117 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 83 15.784 1.513 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.604 -0.078 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 83 16.171 -0.450 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.077 -0.152 2.587 1.00 0.00 H new ATOM 1202 N LEU A 84 18.843 3.708 -0.672 1.00 0.00 N ATOM 1203 CA LEU A 84 18.982 4.226 -2.029 1.00 0.00 C ATOM 1204 C LEU A 84 18.442 3.229 -3.050 1.00 0.00 C ATOM 1205 O LEU A 84 18.188 2.069 -2.726 1.00 0.00 O ATOM 1206 CB LEU A 84 20.449 4.538 -2.329 1.00 0.00 C ATOM 1207 CG LEU A 84 21.233 5.221 -1.208 1.00 0.00 C ATOM 1208 CD1 LEU A 84 22.717 4.911 -1.329 1.00 0.00 C ATOM 1209 CD2 LEU A 84 20.997 6.725 -1.233 1.00 0.00 C ATOM 0 H LEU A 84 19.604 3.098 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 84 18.400 5.144 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 84 20.954 3.606 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.491 5.173 -3.214 1.00 0.00 H new ATOM 0 HG LEU A 84 20.878 4.833 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 84 23.259 5.406 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.870 3.834 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.087 5.271 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.562 7.195 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.324 7.129 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.935 6.929 -1.097 1.00 0.00 H new ATOM 1221 N HIS A 85 18.272 3.689 -4.286 1.00 0.00 N ATOM 1222 CA HIS A 85 17.766 2.837 -5.356 1.00 0.00 C ATOM 1223 C HIS A 85 18.567 1.541 -5.443 1.00 0.00 C ATOM 1224 O HIS A 85 18.012 0.477 -5.714 1.00 0.00 O ATOM 1225 CB HIS A 85 17.821 3.576 -6.694 1.00 0.00 C ATOM 1226 CG HIS A 85 17.458 2.718 -7.866 1.00 0.00 C ATOM 1227 ND1 HIS A 85 16.160 2.364 -8.167 1.00 0.00 N ATOM 1228 CD2 HIS A 85 18.232 2.144 -8.817 1.00 0.00 C ATOM 1229 CE1 HIS A 85 16.151 1.608 -9.250 1.00 0.00 C ATOM 1230 NE2 HIS A 85 17.396 1.460 -9.665 1.00 0.00 N ATOM 0 H HIS A 85 18.477 4.647 -4.571 1.00 0.00 H new ATOM 0 HA HIS A 85 16.729 2.588 -5.130 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.145 4.430 -6.656 1.00 0.00 H new ATOM 0 HB3 HIS A 85 18.826 3.971 -6.841 1.00 0.00 H new ATOM 0 HD2 HIS A 85 19.307 2.211 -8.894 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.275 1.183 -9.717 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.689 0.925 -10.482 1.00 0.00 H new ATOM 1238 N GLN A 86 19.872 1.641 -5.213 1.00 0.00 N ATOM 1239 CA GLN A 86 20.748 0.477 -5.267 1.00 0.00 C ATOM 1240 C GLN A 86 20.528 -0.427 -4.058 1.00 0.00 C ATOM 1241 O GLN A 86 20.681 -1.645 -4.146 1.00 0.00 O ATOM 1242 CB GLN A 86 22.212 0.916 -5.332 1.00 0.00 C ATOM 1243 CG GLN A 86 23.196 -0.241 -5.290 1.00 0.00 C ATOM 1244 CD GLN A 86 23.150 -1.093 -6.543 1.00 0.00 C ATOM 1245 OE1 GLN A 86 23.852 -0.822 -7.518 1.00 0.00 O ATOM 1246 NE2 GLN A 86 22.321 -2.130 -6.524 1.00 0.00 N ATOM 0 H GLN A 86 20.346 2.516 -4.988 1.00 0.00 H new ATOM 0 HA GLN A 86 20.506 -0.087 -6.168 1.00 0.00 H new ATOM 0 HB2 GLN A 86 22.372 1.485 -6.248 1.00 0.00 H new ATOM 0 HB3 GLN A 86 22.418 1.588 -4.499 1.00 0.00 H new ATOM 0 HG2 GLN A 86 24.205 0.150 -5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 86 22.980 -0.865 -4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 86 21.758 -2.318 -5.695 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.247 -2.739 -7.339 1.00 0.00 H new ATOM 1255 N ASP A 87 20.170 0.179 -2.931 1.00 0.00 N ATOM 1256 CA ASP A 87 19.929 -0.571 -1.704 1.00 0.00 C ATOM 1257 C ASP A 87 18.724 -1.494 -1.859 1.00 0.00 C ATOM 1258 O ASP A 87 18.730 -2.625 -1.376 1.00 0.00 O ATOM 1259 CB ASP A 87 19.708 0.386 -0.532 1.00 0.00 C ATOM 1260 CG ASP A 87 20.999 0.740 0.178 1.00 0.00 C ATOM 1261 OD1 ASP A 87 21.950 1.178 -0.503 1.00 0.00 O ATOM 1262 OD2 ASP A 87 21.059 0.581 1.415 1.00 0.00 O ATOM 0 H ASP A 87 20.040 1.187 -2.842 1.00 0.00 H new ATOM 0 HA ASP A 87 20.808 -1.183 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 87 19.235 1.298 -0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 87 19.018 -0.069 0.179 1.00 0.00 H new ATOM 1267 N ALA A 88 17.691 -1.001 -2.534 1.00 0.00 N ATOM 1268 CA ALA A 88 16.479 -1.780 -2.753 1.00 0.00 C ATOM 1269 C ALA A 88 16.726 -2.913 -3.743 1.00 0.00 C ATOM 1270 O ALA A 88 16.308 -4.049 -3.520 1.00 0.00 O ATOM 1271 CB ALA A 88 15.355 -0.882 -3.246 1.00 0.00 C ATOM 0 H ALA A 88 17.669 -0.065 -2.939 1.00 0.00 H new ATOM 0 HA ALA A 88 16.185 -2.222 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.456 -1.478 -3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 88 15.152 -0.111 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.650 -0.412 -4.184 1.00 0.00 H new ATOM 1277 N VAL A 89 17.409 -2.596 -4.840 1.00 0.00 N ATOM 1278 CA VAL A 89 17.712 -3.588 -5.864 1.00 0.00 C ATOM 1279 C VAL A 89 18.500 -4.757 -5.282 1.00 0.00 C ATOM 1280 O VAL A 89 18.203 -5.918 -5.561 1.00 0.00 O ATOM 1281 CB VAL A 89 18.515 -2.969 -7.024 1.00 0.00 C ATOM 1282 CG1 VAL A 89 18.882 -4.033 -8.047 1.00 0.00 C ATOM 1283 CG2 VAL A 89 17.728 -1.841 -7.674 1.00 0.00 C ATOM 0 H VAL A 89 17.762 -1.660 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 89 16.758 -3.951 -6.245 1.00 0.00 H new ATOM 0 HB VAL A 89 19.438 -2.552 -6.622 1.00 0.00 H new ATOM 0 HG11 VAL A 89 19.449 -3.577 -8.859 1.00 0.00 H new ATOM 0 HG12 VAL A 89 19.488 -4.803 -7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 89 17.973 -4.482 -8.447 1.00 0.00 H new ATOM 0 HG21 VAL A 89 18.310 -1.415 -8.491 1.00 0.00 H new ATOM 0 HG22 VAL A 89 16.787 -2.231 -8.063 1.00 0.00 H new ATOM 0 HG23 VAL A 89 17.522 -1.068 -6.934 1.00 0.00 H new ATOM 1293 N ASP A 90 19.504 -4.441 -4.473 1.00 0.00 N ATOM 1294 CA ASP A 90 20.334 -5.465 -3.849 1.00 0.00 C ATOM 1295 C ASP A 90 19.481 -6.439 -3.042 1.00 0.00 C ATOM 1296 O ASP A 90 19.478 -7.642 -3.304 1.00 0.00 O ATOM 1297 CB ASP A 90 21.386 -4.819 -2.946 1.00 0.00 C ATOM 1298 CG ASP A 90 22.663 -5.632 -2.871 1.00 0.00 C ATOM 1299 OD1 ASP A 90 23.355 -5.747 -3.905 1.00 0.00 O ATOM 1300 OD2 ASP A 90 22.973 -6.151 -1.779 1.00 0.00 O ATOM 0 H ASP A 90 19.763 -3.484 -4.233 1.00 0.00 H new ATOM 0 HA ASP A 90 20.838 -6.021 -4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 90 21.616 -3.820 -3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 90 20.976 -4.699 -1.943 1.00 0.00 H new ATOM 1305 N LEU A 91 18.761 -5.911 -2.058 1.00 0.00 N ATOM 1306 CA LEU A 91 17.904 -6.734 -1.211 1.00 0.00 C ATOM 1307 C LEU A 91 17.076 -7.701 -2.051 1.00 0.00 C ATOM 1308 O LEU A 91 16.946 -8.878 -1.714 1.00 0.00 O ATOM 1309 CB LEU A 91 16.981 -5.848 -0.373 1.00 0.00 C ATOM 1310 CG LEU A 91 16.122 -6.568 0.668 1.00 0.00 C ATOM 1311 CD1 LEU A 91 17.001 -7.306 1.666 1.00 0.00 C ATOM 1312 CD2 LEU A 91 15.212 -5.581 1.383 1.00 0.00 C ATOM 0 H LEU A 91 18.753 -4.918 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 91 18.542 -7.315 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 91 17.591 -5.105 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 91 16.319 -5.306 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 91 15.498 -7.299 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.373 -7.812 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 91 17.610 -8.041 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.651 -6.594 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.608 -6.111 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.817 -4.826 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.558 -5.098 0.657 1.00 0.00 H new ATOM 1324 N PHE A 92 16.518 -7.197 -3.146 1.00 0.00 N ATOM 1325 CA PHE A 92 15.702 -8.016 -4.035 1.00 0.00 C ATOM 1326 C PHE A 92 16.483 -9.234 -4.522 1.00 0.00 C ATOM 1327 O PHE A 92 15.909 -10.293 -4.774 1.00 0.00 O ATOM 1328 CB PHE A 92 15.227 -7.190 -5.232 1.00 0.00 C ATOM 1329 CG PHE A 92 14.043 -6.317 -4.926 1.00 0.00 C ATOM 1330 CD1 PHE A 92 14.002 -5.568 -3.761 1.00 0.00 C ATOM 1331 CD2 PHE A 92 12.972 -6.247 -5.802 1.00 0.00 C ATOM 1332 CE1 PHE A 92 12.915 -4.763 -3.476 1.00 0.00 C ATOM 1333 CE2 PHE A 92 11.883 -5.444 -5.523 1.00 0.00 C ATOM 1334 CZ PHE A 92 11.853 -4.702 -4.358 1.00 0.00 C ATOM 0 H PHE A 92 16.616 -6.225 -3.440 1.00 0.00 H new ATOM 0 HA PHE A 92 14.834 -8.362 -3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 92 16.049 -6.565 -5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 92 14.970 -7.864 -6.049 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.829 -5.614 -3.068 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.989 -6.827 -6.713 1.00 0.00 H new ATOM 0 HE1 PHE A 92 12.896 -4.183 -2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.055 -5.396 -6.215 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.001 -4.076 -4.137 1.00 0.00 H new ATOM 1344 N ARG A 93 17.796 -9.074 -4.651 1.00 0.00 N ATOM 1345 CA ARG A 93 18.657 -10.158 -5.108 1.00 0.00 C ATOM 1346 C ARG A 93 18.937 -11.144 -3.978 1.00 0.00 C ATOM 1347 O ARG A 93 18.815 -12.356 -4.153 1.00 0.00 O ATOM 1348 CB ARG A 93 19.974 -9.599 -5.649 1.00 0.00 C ATOM 1349 CG ARG A 93 19.803 -8.716 -6.875 1.00 0.00 C ATOM 1350 CD ARG A 93 21.140 -8.195 -7.377 1.00 0.00 C ATOM 1351 NE ARG A 93 21.762 -9.112 -8.329 1.00 0.00 N ATOM 1352 CZ ARG A 93 22.926 -8.877 -8.923 1.00 0.00 C ATOM 1353 NH1 ARG A 93 23.592 -7.760 -8.665 1.00 0.00 N ATOM 1354 NH2 ARG A 93 23.427 -9.760 -9.778 1.00 0.00 N ATOM 0 H ARG A 93 18.287 -8.204 -4.445 1.00 0.00 H new ATOM 0 HA ARG A 93 18.139 -10.686 -5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.465 -9.025 -4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 93 20.636 -10.428 -5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 93 19.311 -9.282 -7.666 1.00 0.00 H new ATOM 0 HG3 ARG A 93 19.152 -7.876 -6.632 1.00 0.00 H new ATOM 0 HD2 ARG A 93 20.996 -7.224 -7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 93 21.810 -8.041 -6.531 1.00 0.00 H new ATOM 0 HE ARG A 93 21.275 -9.981 -8.550 1.00 0.00 H new ATOM 0 HH11 ARG A 93 23.210 -7.079 -8.009 1.00 0.00 H new ATOM 0 HH12 ARG A 93 24.486 -7.582 -9.123 1.00 0.00 H new ATOM 0 HH21 ARG A 93 22.918 -10.620 -9.980 1.00 0.00 H new ATOM 0 HH22 ARG A 93 24.321 -9.578 -10.234 1.00 0.00 H new ATOM 1368 N ASN A 94 19.313 -10.615 -2.818 1.00 0.00 N ATOM 1369 CA ASN A 94 19.611 -11.448 -1.659 1.00 0.00 C ATOM 1370 C ASN A 94 18.424 -12.340 -1.309 1.00 0.00 C ATOM 1371 O ASN A 94 18.592 -13.427 -0.756 1.00 0.00 O ATOM 1372 CB ASN A 94 19.978 -10.575 -0.457 1.00 0.00 C ATOM 1373 CG ASN A 94 20.491 -11.389 0.715 1.00 0.00 C ATOM 1374 OD1 ASN A 94 21.394 -12.212 0.565 1.00 0.00 O ATOM 1375 ND2 ASN A 94 19.914 -11.163 1.890 1.00 0.00 N ATOM 0 H ASN A 94 19.418 -9.613 -2.656 1.00 0.00 H new ATOM 0 HA ASN A 94 20.459 -12.084 -1.910 1.00 0.00 H new ATOM 0 HB2 ASN A 94 20.738 -9.853 -0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 94 19.103 -10.005 -0.145 1.00 0.00 H new ATOM 0 HD21 ASN A 94 20.216 -11.682 2.715 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.169 -10.471 1.967 1.00 0.00 H new ATOM 1382 N ALA A 95 17.223 -11.873 -1.637 1.00 0.00 N ATOM 1383 CA ALA A 95 16.008 -12.629 -1.361 1.00 0.00 C ATOM 1384 C ALA A 95 16.234 -14.124 -1.562 1.00 0.00 C ATOM 1385 O ALA A 95 16.321 -14.883 -0.598 1.00 0.00 O ATOM 1386 CB ALA A 95 14.871 -12.141 -2.246 1.00 0.00 C ATOM 0 H ALA A 95 17.066 -10.975 -2.094 1.00 0.00 H new ATOM 0 HA ALA A 95 15.737 -12.467 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.970 -12.714 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 95 14.685 -11.085 -2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 95 15.142 -12.274 -3.293 1.00 0.00 H new ATOM 1392 N GLY A 96 16.326 -14.539 -2.822 1.00 0.00 N ATOM 1393 CA GLY A 96 16.539 -15.942 -3.126 1.00 0.00 C ATOM 1394 C GLY A 96 15.343 -16.576 -3.808 1.00 0.00 C ATOM 1395 O GLY A 96 14.379 -15.890 -4.150 1.00 0.00 O ATOM 0 H GLY A 96 16.257 -13.929 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.415 -16.043 -3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.756 -16.481 -2.204 1.00 0.00 H new ATOM 1399 N TYR A 97 15.405 -17.888 -4.008 1.00 0.00 N ATOM 1400 CA TYR A 97 14.320 -18.614 -4.658 1.00 0.00 C ATOM 1401 C TYR A 97 12.965 -18.023 -4.279 1.00 0.00 C ATOM 1402 O TYR A 97 12.168 -17.663 -5.145 1.00 0.00 O ATOM 1403 CB TYR A 97 14.368 -20.094 -4.277 1.00 0.00 C ATOM 1404 CG TYR A 97 13.511 -20.975 -5.158 1.00 0.00 C ATOM 1405 CD1 TYR A 97 14.029 -21.550 -6.312 1.00 0.00 C ATOM 1406 CD2 TYR A 97 12.184 -21.230 -4.838 1.00 0.00 C ATOM 1407 CE1 TYR A 97 13.250 -22.355 -7.120 1.00 0.00 C ATOM 1408 CE2 TYR A 97 11.398 -22.035 -5.639 1.00 0.00 C ATOM 1409 CZ TYR A 97 11.936 -22.595 -6.780 1.00 0.00 C ATOM 1410 OH TYR A 97 11.155 -23.396 -7.582 1.00 0.00 O ATOM 0 H TYR A 97 16.195 -18.470 -3.729 1.00 0.00 H new ATOM 0 HA TYR A 97 14.449 -18.519 -5.736 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.400 -20.440 -4.327 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.044 -20.205 -3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.058 -21.364 -6.582 1.00 0.00 H new ATOM 0 HD2 TYR A 97 11.759 -20.791 -3.947 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.668 -22.794 -8.014 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.368 -22.225 -5.374 1.00 0.00 H new ATOM 0 HH TYR A 97 10.255 -23.464 -7.200 1.00 0.00 H new ATOM 1420 N ALA A 98 12.713 -17.926 -2.978 1.00 0.00 N ATOM 1421 CA ALA A 98 11.457 -17.377 -2.483 1.00 0.00 C ATOM 1422 C ALA A 98 11.603 -15.900 -2.132 1.00 0.00 C ATOM 1423 O ALA A 98 12.317 -15.542 -1.195 1.00 0.00 O ATOM 1424 CB ALA A 98 10.978 -18.164 -1.272 1.00 0.00 C ATOM 0 H ALA A 98 13.362 -18.220 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 98 10.714 -17.463 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.039 -17.743 -0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.825 -19.206 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.727 -18.107 -0.482 1.00 0.00 H new ATOM 1430 N VAL A 99 10.924 -15.046 -2.892 1.00 0.00 N ATOM 1431 CA VAL A 99 10.979 -13.608 -2.661 1.00 0.00 C ATOM 1432 C VAL A 99 9.650 -13.086 -2.126 1.00 0.00 C ATOM 1433 O VAL A 99 8.661 -13.016 -2.855 1.00 0.00 O ATOM 1434 CB VAL A 99 11.336 -12.845 -3.951 1.00 0.00 C ATOM 1435 CG1 VAL A 99 11.293 -11.344 -3.713 1.00 0.00 C ATOM 1436 CG2 VAL A 99 12.703 -13.274 -4.462 1.00 0.00 C ATOM 0 H VAL A 99 10.330 -15.326 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 99 11.759 -13.436 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 99 10.596 -13.088 -4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.548 -10.822 -4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 99 10.291 -11.054 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.009 -11.078 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.939 -12.725 -5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.458 -13.062 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.693 -14.343 -4.674 1.00 0.00 H new ATOM 1446 N SER A 100 9.635 -12.720 -0.848 1.00 0.00 N ATOM 1447 CA SER A 100 8.427 -12.208 -0.214 1.00 0.00 C ATOM 1448 C SER A 100 8.387 -10.684 -0.272 1.00 0.00 C ATOM 1449 O SER A 100 9.249 -10.007 0.292 1.00 0.00 O ATOM 1450 CB SER A 100 8.351 -12.676 1.241 1.00 0.00 C ATOM 1451 OG SER A 100 8.277 -14.089 1.318 1.00 0.00 O ATOM 0 H SER A 100 10.446 -12.769 -0.232 1.00 0.00 H new ATOM 0 HA SER A 100 7.567 -12.598 -0.759 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.227 -12.324 1.786 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.478 -12.236 1.723 1.00 0.00 H new ATOM 0 HG SER A 100 7.368 -14.381 1.098 1.00 0.00 H new ATOM 1457 N LEU A 101 7.382 -10.150 -0.957 1.00 0.00 N ATOM 1458 CA LEU A 101 7.229 -8.705 -1.090 1.00 0.00 C ATOM 1459 C LEU A 101 5.901 -8.242 -0.499 1.00 0.00 C ATOM 1460 O LEU A 101 4.834 -8.537 -1.037 1.00 0.00 O ATOM 1461 CB LEU A 101 7.315 -8.296 -2.561 1.00 0.00 C ATOM 1462 CG LEU A 101 8.521 -8.830 -3.336 1.00 0.00 C ATOM 1463 CD1 LEU A 101 8.420 -8.453 -4.806 1.00 0.00 C ATOM 1464 CD2 LEU A 101 9.816 -8.302 -2.736 1.00 0.00 C ATOM 0 H LEU A 101 6.661 -10.696 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 101 8.038 -8.227 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.408 -8.630 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.327 -7.207 -2.615 1.00 0.00 H new ATOM 0 HG LEU A 101 8.525 -9.917 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.286 -8.841 -5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.511 -8.880 -5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.390 -7.368 -4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.664 -8.692 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.820 -7.213 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.893 -8.623 -1.697 1.00 0.00 H new ATOM 1476 N ARG A 102 5.975 -7.513 0.610 1.00 0.00 N ATOM 1477 CA ARG A 102 4.779 -7.008 1.273 1.00 0.00 C ATOM 1478 C ARG A 102 4.366 -5.658 0.695 1.00 0.00 C ATOM 1479 O ARG A 102 4.928 -4.621 1.047 1.00 0.00 O ATOM 1480 CB ARG A 102 5.021 -6.877 2.778 1.00 0.00 C ATOM 1481 CG ARG A 102 3.745 -6.727 3.590 1.00 0.00 C ATOM 1482 CD ARG A 102 4.038 -6.264 5.008 1.00 0.00 C ATOM 1483 NE ARG A 102 2.892 -6.450 5.893 1.00 0.00 N ATOM 1484 CZ ARG A 102 2.842 -5.991 7.139 1.00 0.00 C ATOM 1485 NH1 ARG A 102 3.869 -5.321 7.643 1.00 0.00 N ATOM 1486 NH2 ARG A 102 1.763 -6.201 7.882 1.00 0.00 N ATOM 0 H ARG A 102 6.850 -7.259 1.068 1.00 0.00 H new ATOM 0 HA ARG A 102 3.972 -7.720 1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.563 -7.756 3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.661 -6.014 2.961 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.084 -6.011 3.102 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.217 -7.680 3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.892 -6.816 5.400 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.318 -5.211 4.995 1.00 0.00 H new ATOM 0 HE ARG A 102 2.085 -6.961 5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.700 -5.157 7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.829 -4.970 8.600 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.971 -6.715 7.497 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.726 -5.848 8.838 1.00 0.00 H new ATOM 1500 N VAL A 103 3.379 -5.679 -0.196 1.00 0.00 N ATOM 1501 CA VAL A 103 2.890 -4.457 -0.823 1.00 0.00 C ATOM 1502 C VAL A 103 1.541 -4.044 -0.245 1.00 0.00 C ATOM 1503 O VAL A 103 0.861 -4.843 0.399 1.00 0.00 O ATOM 1504 CB VAL A 103 2.752 -4.625 -2.348 1.00 0.00 C ATOM 1505 CG1 VAL A 103 4.080 -5.042 -2.962 1.00 0.00 C ATOM 1506 CG2 VAL A 103 1.664 -5.636 -2.676 1.00 0.00 C ATOM 0 H VAL A 103 2.903 -6.529 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 103 3.625 -3.679 -0.615 1.00 0.00 H new ATOM 0 HB VAL A 103 2.466 -3.665 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.963 -5.156 -4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.831 -4.279 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.399 -5.990 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.580 -5.742 -3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.918 -6.600 -2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.713 -5.291 -2.270 1.00 0.00 H new ATOM 1516 N GLN A 104 1.161 -2.792 -0.479 1.00 0.00 N ATOM 1517 CA GLN A 104 -0.107 -2.274 0.020 1.00 0.00 C ATOM 1518 C GLN A 104 -1.009 -1.840 -1.132 1.00 0.00 C ATOM 1519 O GLN A 104 -0.665 -0.939 -1.897 1.00 0.00 O ATOM 1520 CB GLN A 104 0.136 -1.095 0.964 1.00 0.00 C ATOM 1521 CG GLN A 104 -1.140 -0.517 1.555 1.00 0.00 C ATOM 1522 CD GLN A 104 -0.896 0.766 2.326 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -1.303 1.847 1.900 1.00 0.00 O ATOM 1524 NE2 GLN A 104 -0.229 0.652 3.469 1.00 0.00 N ATOM 0 H GLN A 104 1.713 -2.118 -1.010 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.607 -3.073 0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 104 0.789 -1.418 1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.664 -0.310 0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.853 -0.325 0.753 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.596 -1.253 2.217 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.090 -0.264 3.784 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -0.036 1.481 4.032 1.00 0.00 H new ATOM 1533 N HIS A 105 -2.163 -2.488 -1.249 1.00 0.00 N ATOM 1534 CA HIS A 105 -3.115 -2.169 -2.307 1.00 0.00 C ATOM 1535 C HIS A 105 -3.975 -0.969 -1.921 1.00 0.00 C ATOM 1536 O HIS A 105 -4.821 -1.060 -1.031 1.00 0.00 O ATOM 1537 CB HIS A 105 -4.006 -3.376 -2.602 1.00 0.00 C ATOM 1538 CG HIS A 105 -3.239 -4.636 -2.864 1.00 0.00 C ATOM 1539 ND1 HIS A 105 -2.311 -4.756 -3.877 1.00 0.00 N ATOM 1540 CD2 HIS A 105 -3.267 -5.835 -2.237 1.00 0.00 C ATOM 1541 CE1 HIS A 105 -1.802 -5.975 -3.863 1.00 0.00 C ATOM 1542 NE2 HIS A 105 -2.365 -6.650 -2.877 1.00 0.00 N ATOM 0 H HIS A 105 -2.462 -3.237 -0.625 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.551 -1.916 -3.205 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.677 -3.537 -1.758 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.630 -3.154 -3.467 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -3.883 -6.101 -1.391 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -1.053 -6.355 -4.542 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -2.163 -7.619 -2.631 1.00 0.00 H new ATOM 1550 N ARG A 106 -3.752 0.154 -2.596 1.00 0.00 N ATOM 1551 CA ARG A 106 -4.505 1.372 -2.322 1.00 0.00 C ATOM 1552 C ARG A 106 -5.234 1.854 -3.573 1.00 0.00 C ATOM 1553 O ARG A 106 -4.613 2.351 -4.514 1.00 0.00 O ATOM 1554 CB ARG A 106 -3.572 2.469 -1.808 1.00 0.00 C ATOM 1555 CG ARG A 106 -2.155 2.366 -2.349 1.00 0.00 C ATOM 1556 CD ARG A 106 -1.301 3.543 -1.902 1.00 0.00 C ATOM 1557 NE ARG A 106 -0.204 3.807 -2.829 1.00 0.00 N ATOM 1558 CZ ARG A 106 0.473 4.949 -2.861 1.00 0.00 C ATOM 1559 NH1 ARG A 106 0.167 5.928 -2.020 1.00 0.00 N ATOM 1560 NH2 ARG A 106 1.458 5.114 -3.734 1.00 0.00 N ATOM 0 H ARG A 106 -3.056 0.246 -3.336 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.246 1.146 -1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.985 3.441 -2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.540 2.427 -0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.701 1.435 -2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.182 2.327 -3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.926 4.432 -1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.897 3.341 -0.910 1.00 0.00 H new ATOM 0 HE ARG A 106 0.057 3.074 -3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.590 5.804 -1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.688 6.804 -2.046 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.696 4.363 -4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.977 5.992 -3.757 1.00 0.00 H new ATOM 1574 N LEU A 107 -6.553 1.702 -3.578 1.00 0.00 N ATOM 1575 CA LEU A 107 -7.368 2.121 -4.714 1.00 0.00 C ATOM 1576 C LEU A 107 -8.400 3.161 -4.290 1.00 0.00 C ATOM 1577 O LEU A 107 -8.982 3.066 -3.210 1.00 0.00 O ATOM 1578 CB LEU A 107 -8.070 0.913 -5.337 1.00 0.00 C ATOM 1579 CG LEU A 107 -8.429 -0.222 -4.378 1.00 0.00 C ATOM 1580 CD1 LEU A 107 -7.171 -0.855 -3.804 1.00 0.00 C ATOM 1581 CD2 LEU A 107 -9.329 0.287 -3.261 1.00 0.00 C ATOM 0 H LEU A 107 -7.082 1.292 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.709 2.572 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.985 1.258 -5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.429 0.510 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.972 -0.984 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.447 -1.661 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.563 -1.257 -4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.600 -0.102 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.574 -0.535 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.812 1.069 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.246 0.692 -3.689 1.00 0.00 H new ATOM 1593 N GLN A 108 -8.622 4.151 -5.149 1.00 0.00 N ATOM 1594 CA GLN A 108 -9.586 5.207 -4.863 1.00 0.00 C ATOM 1595 C GLN A 108 -11.005 4.651 -4.815 1.00 0.00 C ATOM 1596 O GLN A 108 -11.471 4.026 -5.768 1.00 0.00 O ATOM 1597 CB GLN A 108 -9.493 6.310 -5.919 1.00 0.00 C ATOM 1598 CG GLN A 108 -10.548 7.393 -5.761 1.00 0.00 C ATOM 1599 CD GLN A 108 -10.794 8.159 -7.046 1.00 0.00 C ATOM 1600 OE1 GLN A 108 -10.602 7.633 -8.143 1.00 0.00 O ATOM 1601 NE2 GLN A 108 -11.223 9.409 -6.918 1.00 0.00 N ATOM 0 H GLN A 108 -8.148 4.244 -6.047 1.00 0.00 H new ATOM 0 HA GLN A 108 -9.347 5.627 -3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.505 6.767 -5.869 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.588 5.863 -6.909 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -11.482 6.940 -5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -10.236 8.088 -4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -11.369 9.806 -5.990 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -11.407 9.973 -7.748 1.00 0.00 H new ATOM 1610 N VAL A 109 -11.688 4.882 -3.698 1.00 0.00 N ATOM 1611 CA VAL A 109 -13.055 4.404 -3.526 1.00 0.00 C ATOM 1612 C VAL A 109 -14.052 5.332 -4.211 1.00 0.00 C ATOM 1613 O VAL A 109 -13.954 6.554 -4.100 1.00 0.00 O ATOM 1614 CB VAL A 109 -13.424 4.284 -2.035 1.00 0.00 C ATOM 1615 CG1 VAL A 109 -14.885 3.892 -1.876 1.00 0.00 C ATOM 1616 CG2 VAL A 109 -12.515 3.281 -1.341 1.00 0.00 C ATOM 0 H VAL A 109 -11.317 5.397 -2.899 1.00 0.00 H new ATOM 0 HA VAL A 109 -13.105 3.417 -3.986 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.281 5.256 -1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -15.127 3.812 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.518 4.651 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.059 2.932 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.789 3.209 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.624 2.304 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.479 3.610 -1.424 1.00 0.00 H new ATOM 1626 N GLN A 110 -15.009 4.743 -4.920 1.00 0.00 N ATOM 1627 CA GLN A 110 -16.024 5.518 -5.624 1.00 0.00 C ATOM 1628 C GLN A 110 -16.937 6.242 -4.640 1.00 0.00 C ATOM 1629 O GLN A 110 -18.013 5.753 -4.300 1.00 0.00 O ATOM 1630 CB GLN A 110 -16.854 4.607 -6.531 1.00 0.00 C ATOM 1631 CG GLN A 110 -16.027 3.867 -7.570 1.00 0.00 C ATOM 1632 CD GLN A 110 -15.452 2.568 -7.041 1.00 0.00 C ATOM 1633 OE1 GLN A 110 -14.237 2.425 -6.901 1.00 0.00 O ATOM 1634 NE2 GLN A 110 -16.324 1.612 -6.742 1.00 0.00 N ATOM 0 H GLN A 110 -15.103 3.733 -5.022 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.515 6.263 -6.236 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -17.384 3.880 -5.915 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -17.610 5.205 -7.039 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.648 3.657 -8.441 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.213 4.510 -7.906 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.323 1.773 -6.874 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.995 0.717 -6.381 1.00 0.00 H new ATOM 1643 N ASN A 111 -16.498 7.411 -4.184 1.00 0.00 N ATOM 1644 CA ASN A 111 -17.275 8.203 -3.237 1.00 0.00 C ATOM 1645 C ASN A 111 -18.379 8.977 -3.952 1.00 0.00 C ATOM 1646 O ASN A 111 -18.168 10.098 -4.411 1.00 0.00 O ATOM 1647 CB ASN A 111 -16.363 9.173 -2.483 1.00 0.00 C ATOM 1648 CG ASN A 111 -15.734 10.205 -3.398 1.00 0.00 C ATOM 1649 OD1 ASN A 111 -15.053 9.862 -4.364 1.00 0.00 O ATOM 1650 ND2 ASN A 111 -15.959 11.479 -3.097 1.00 0.00 N ATOM 0 H ASN A 111 -15.609 7.831 -4.455 1.00 0.00 H new ATOM 0 HA ASN A 111 -17.737 7.521 -2.524 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -16.938 9.681 -1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -15.577 8.611 -1.979 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -15.561 12.218 -3.677 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -16.530 11.718 -2.286 1.00 0.00 H new ATOM 1657 N GLY A 112 -19.558 8.368 -4.041 1.00 0.00 N ATOM 1658 CA GLY A 112 -20.678 9.014 -4.701 1.00 0.00 C ATOM 1659 C GLY A 112 -21.761 8.032 -5.098 1.00 0.00 C ATOM 1660 O GLY A 112 -21.511 6.842 -5.288 1.00 0.00 O ATOM 0 H GLY A 112 -19.757 7.440 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -21.101 9.768 -4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -20.321 9.535 -5.589 1.00 0.00 H new ATOM 1664 N PRO A 113 -22.999 8.532 -5.229 1.00 0.00 N ATOM 1665 CA PRO A 113 -24.150 7.706 -5.607 1.00 0.00 C ATOM 1666 C PRO A 113 -24.079 7.241 -7.057 1.00 0.00 C ATOM 1667 O PRO A 113 -23.220 7.685 -7.819 1.00 0.00 O ATOM 1668 CB PRO A 113 -25.342 8.645 -5.405 1.00 0.00 C ATOM 1669 CG PRO A 113 -24.774 10.015 -5.552 1.00 0.00 C ATOM 1670 CD PRO A 113 -23.370 9.941 -5.019 1.00 0.00 C ATOM 0 HA PRO A 113 -24.206 6.791 -5.018 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -26.122 8.459 -6.143 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -25.793 8.507 -4.422 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -24.779 10.330 -6.596 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -25.364 10.744 -4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -22.701 10.616 -5.553 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -23.325 10.215 -3.965 1.00 0.00 H new ATOM 1678 N ILE A 114 -24.987 6.346 -7.432 1.00 0.00 N ATOM 1679 CA ILE A 114 -25.027 5.823 -8.792 1.00 0.00 C ATOM 1680 C ILE A 114 -26.436 5.899 -9.369 1.00 0.00 C ATOM 1681 O ILE A 114 -27.414 5.591 -8.688 1.00 0.00 O ATOM 1682 CB ILE A 114 -24.540 4.363 -8.848 1.00 0.00 C ATOM 1683 CG1 ILE A 114 -23.104 4.261 -8.327 1.00 0.00 C ATOM 1684 CG2 ILE A 114 -24.633 3.828 -10.269 1.00 0.00 C ATOM 1685 CD1 ILE A 114 -22.673 2.845 -8.016 1.00 0.00 C ATOM 0 H ILE A 114 -25.704 5.968 -6.813 1.00 0.00 H new ATOM 0 HA ILE A 114 -24.359 6.444 -9.389 1.00 0.00 H new ATOM 0 HB ILE A 114 -25.182 3.756 -8.209 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -22.426 4.684 -9.069 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -23.009 4.867 -7.426 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -24.285 2.795 -10.292 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -25.669 3.870 -10.607 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -24.012 4.435 -10.928 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -21.646 2.849 -7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -23.327 2.425 -7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -22.735 2.239 -8.920 1.00 0.00 H new ATOM 1697 N SER A 115 -26.533 6.309 -10.630 1.00 0.00 N ATOM 1698 CA SER A 115 -27.823 6.428 -11.298 1.00 0.00 C ATOM 1699 C SER A 115 -28.359 5.055 -11.692 1.00 0.00 C ATOM 1700 O SER A 115 -27.967 4.492 -12.714 1.00 0.00 O ATOM 1701 CB SER A 115 -27.698 7.314 -12.539 1.00 0.00 C ATOM 1702 OG SER A 115 -28.926 7.381 -13.243 1.00 0.00 O ATOM 0 H SER A 115 -25.733 6.564 -11.209 1.00 0.00 H new ATOM 0 HA SER A 115 -28.525 6.887 -10.601 1.00 0.00 H new ATOM 0 HB2 SER A 115 -27.389 8.317 -12.244 1.00 0.00 H new ATOM 0 HB3 SER A 115 -26.921 6.921 -13.194 1.00 0.00 H new ATOM 0 HG SER A 115 -28.821 7.954 -14.031 1.00 0.00 H new ATOM 1708 N GLY A 116 -29.258 4.520 -10.872 1.00 0.00 N ATOM 1709 CA GLY A 116 -29.834 3.217 -11.151 1.00 0.00 C ATOM 1710 C GLY A 116 -31.161 3.007 -10.449 1.00 0.00 C ATOM 1711 O GLY A 116 -31.767 3.944 -9.929 1.00 0.00 O ATOM 0 H GLY A 116 -29.598 4.965 -10.020 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -29.974 3.108 -12.226 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -29.135 2.440 -10.840 1.00 0.00 H new ATOM 1715 N PRO A 117 -31.633 1.752 -10.430 1.00 0.00 N ATOM 1716 CA PRO A 117 -32.903 1.393 -9.791 1.00 0.00 C ATOM 1717 C PRO A 117 -32.836 1.496 -8.271 1.00 0.00 C ATOM 1718 O PRO A 117 -31.757 1.633 -7.696 1.00 0.00 O ATOM 1719 CB PRO A 117 -33.117 -0.060 -10.220 1.00 0.00 C ATOM 1720 CG PRO A 117 -31.749 -0.580 -10.497 1.00 0.00 C ATOM 1721 CD PRO A 117 -30.963 0.586 -11.030 1.00 0.00 C ATOM 0 HA PRO A 117 -33.712 2.062 -10.086 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -33.608 -0.636 -9.435 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -33.751 -0.122 -11.105 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -31.292 -0.977 -9.591 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -31.780 -1.394 -11.222 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -29.914 0.531 -10.738 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -30.989 0.624 -12.119 1.00 0.00 H new ATOM 1729 N SER A 118 -33.996 1.427 -7.626 1.00 0.00 N ATOM 1730 CA SER A 118 -34.069 1.516 -6.173 1.00 0.00 C ATOM 1731 C SER A 118 -33.036 0.603 -5.520 1.00 0.00 C ATOM 1732 O SER A 118 -33.144 -0.621 -5.583 1.00 0.00 O ATOM 1733 CB SER A 118 -35.472 1.145 -5.688 1.00 0.00 C ATOM 1734 OG SER A 118 -35.628 1.430 -4.309 1.00 0.00 O ATOM 0 H SER A 118 -34.898 1.310 -8.087 1.00 0.00 H new ATOM 0 HA SER A 118 -33.853 2.545 -5.886 1.00 0.00 H new ATOM 0 HB2 SER A 118 -36.216 1.696 -6.263 1.00 0.00 H new ATOM 0 HB3 SER A 118 -35.653 0.085 -5.866 1.00 0.00 H new ATOM 0 HG SER A 118 -36.533 1.185 -4.025 1.00 0.00 H new ATOM 1740 N SER A 119 -32.032 1.209 -4.894 1.00 0.00 N ATOM 1741 CA SER A 119 -30.975 0.452 -4.232 1.00 0.00 C ATOM 1742 C SER A 119 -31.521 -0.295 -3.019 1.00 0.00 C ATOM 1743 O SER A 119 -32.031 0.313 -2.079 1.00 0.00 O ATOM 1744 CB SER A 119 -29.842 1.386 -3.803 1.00 0.00 C ATOM 1745 OG SER A 119 -28.813 0.670 -3.144 1.00 0.00 O ATOM 0 H SER A 119 -31.928 2.222 -4.831 1.00 0.00 H new ATOM 0 HA SER A 119 -30.585 -0.278 -4.941 1.00 0.00 H new ATOM 0 HB2 SER A 119 -29.434 1.893 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 119 -30.234 2.158 -3.141 1.00 0.00 H new ATOM 0 HG SER A 119 -28.100 1.289 -2.881 1.00 0.00 H new ATOM 1751 N GLY A 120 -31.407 -1.620 -3.048 1.00 0.00 N ATOM 1752 CA GLY A 120 -31.893 -2.430 -1.946 1.00 0.00 C ATOM 1753 C GLY A 120 -31.062 -2.257 -0.690 1.00 0.00 C ATOM 1754 O GLY A 120 -31.434 -1.503 0.209 1.00 0.00 O ATOM 0 H GLY A 120 -30.987 -2.146 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -32.928 -2.164 -1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -31.887 -3.480 -2.240 1.00 0.00 H new TER 1758 GLY A 120