USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 855 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 89 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.0053) USER MOD Set 1.2: A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 54 GLN : amide:sc= -0.398 K(o=-0.4,f=-3.6!) USER MOD Set 2.2: A 102 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 44 ASN : amide:sc= -1.82 K(o=-1.7,f=-6.3) USER MOD Set 3.2: A 110 LYS NZ :NH3+ -158:sc= 0.117 (180deg=0) USER MOD Set 4.1: A 33 TYR OH : rot 165:sc= -0.436! USER MOD Set 4.2: A 128 GLN : amide:sc= -0.151 K(o=-0.59,f=2.1) USER MOD Set 5.1: A 19 SER OG : rot -160:sc= -0.778 USER MOD Set 5.2: A 22 GLN : amide:sc= 0 X(o=-0.78,f=-0.66) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -80:sc= 0.123 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -119:sc= -1.27 (180deg=-2.31!) USER MOD Single : A 25 ASN : amide:sc= -0.865 K(o=-0.86,f=-2.1!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -6.52! K(o=-6.5!,f=-1.4) USER MOD Single : A 46 TYR OH : rot -162:sc= -1.62! USER MOD Single : A 47 SER OG : rot -73:sc= 0.758 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -2.17! K(o=-2.2!,f=-0.13) USER MOD Single : A 53 THR OG1 : rot 64:sc= 0.162 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.145 K(o=-0.15,f=-4.4!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.4!) USER MOD Single : A 81 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 82 GLN : amide:sc= -0.134 K(o=-0.13,f=-5.9!) USER MOD Single : A 85 THR OG1 : rot -170:sc= 0 USER MOD Single : A 86 TYR OH : rot 165:sc= -0.264 USER MOD Single : A 93 SER OG : rot -132:sc= 0.609 USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00991 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot -20:sc= 0.14! USER MOD Single : A 115 THR OG1 : rot 180:sc=-0.000176 USER MOD Single : A 116 THR OG1 : rot 130:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.102 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -9.935 13.127 -5.313 1.00 0.00 N ATOM 67 CA VAL A 8 -8.814 12.197 -5.357 1.00 0.00 C ATOM 68 C VAL A 8 -8.902 11.287 -6.578 1.00 0.00 C ATOM 69 O VAL A 8 -9.852 10.518 -6.726 1.00 0.00 O ATOM 70 CB VAL A 8 -8.755 11.328 -4.087 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.657 10.282 -4.205 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.545 12.197 -2.856 1.00 0.00 C ATOM 0 HA VAL A 8 -7.907 12.798 -5.420 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.707 10.809 -3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.631 9.678 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.857 9.640 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.695 10.777 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.506 11.566 -1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.608 12.745 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.371 12.903 -2.764 1.00 0.00 H new ATOM 82 N LYS A 9 -7.904 11.380 -7.451 1.00 0.00 N ATOM 83 CA LYS A 9 -7.866 10.565 -8.659 1.00 0.00 C ATOM 84 C LYS A 9 -7.498 9.122 -8.331 1.00 0.00 C ATOM 85 O LYS A 9 -7.164 8.800 -7.190 1.00 0.00 O ATOM 86 CB LYS A 9 -6.862 11.144 -9.658 1.00 0.00 C ATOM 87 CG LYS A 9 -7.407 12.313 -10.461 1.00 0.00 C ATOM 88 CD LYS A 9 -6.456 12.715 -11.576 1.00 0.00 C ATOM 89 CE LYS A 9 -6.603 11.806 -12.787 1.00 0.00 C ATOM 90 NZ LYS A 9 -6.098 12.453 -14.030 1.00 0.00 N ATOM 0 H LYS A 9 -7.111 12.012 -7.344 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.860 10.575 -9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.972 11.468 -9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.550 10.357 -10.344 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.374 12.044 -10.886 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.574 13.163 -9.800 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.651 13.747 -11.868 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.429 12.675 -11.212 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.058 10.878 -12.613 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.652 11.540 -12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.216 11.802 -14.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.635 13.325 -14.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.090 12.684 -13.916 1.00 0.00 H new ATOM 104 N PHE A 10 -7.561 8.256 -9.337 1.00 0.00 N ATOM 105 CA PHE A 10 -7.234 6.847 -9.155 1.00 0.00 C ATOM 106 C PHE A 10 -5.940 6.491 -9.881 1.00 0.00 C ATOM 107 O PHE A 10 -5.567 7.135 -10.862 1.00 0.00 O ATOM 108 CB PHE A 10 -8.376 5.966 -9.664 1.00 0.00 C ATOM 109 CG PHE A 10 -9.682 6.213 -8.963 1.00 0.00 C ATOM 110 CD1 PHE A 10 -9.770 6.121 -7.583 1.00 0.00 C ATOM 111 CD2 PHE A 10 -10.820 6.537 -9.683 1.00 0.00 C ATOM 112 CE1 PHE A 10 -10.970 6.347 -6.935 1.00 0.00 C ATOM 113 CE2 PHE A 10 -12.023 6.764 -9.041 1.00 0.00 C ATOM 114 CZ PHE A 10 -12.097 6.670 -7.665 1.00 0.00 C ATOM 0 H PHE A 10 -7.836 8.506 -10.287 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.094 6.668 -8.089 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.508 6.137 -10.732 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.099 4.919 -9.541 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.891 5.870 -7.007 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.767 6.613 -10.759 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -11.026 6.271 -5.859 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.903 7.014 -9.614 1.00 0.00 H new ATOM 0 HZ PHE A 10 -13.035 6.849 -7.161 1.00 0.00 H new ATOM 124 N LEU A 11 -5.258 5.461 -9.392 1.00 0.00 N ATOM 125 CA LEU A 11 -4.005 5.018 -9.992 1.00 0.00 C ATOM 126 C LEU A 11 -3.084 6.202 -10.268 1.00 0.00 C ATOM 127 O LEU A 11 -2.450 6.279 -11.321 1.00 0.00 O ATOM 128 CB LEU A 11 -4.280 4.258 -11.291 1.00 0.00 C ATOM 129 CG LEU A 11 -5.189 3.035 -11.174 1.00 0.00 C ATOM 130 CD1 LEU A 11 -5.678 2.599 -12.547 1.00 0.00 C ATOM 131 CD2 LEU A 11 -4.462 1.894 -10.478 1.00 0.00 C ATOM 0 H LEU A 11 -5.552 4.917 -8.581 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.508 4.352 -9.286 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.726 4.950 -12.006 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.326 3.938 -11.710 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.056 3.308 -10.572 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.324 1.727 -12.443 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.238 3.412 -13.009 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.823 2.345 -13.174 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.125 1.032 -10.404 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.576 1.622 -11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.163 2.209 -9.478 1.00 0.00 H new ATOM 143 N THR A 12 -3.013 7.125 -9.313 1.00 0.00 N ATOM 144 CA THR A 12 -2.170 8.305 -9.451 1.00 0.00 C ATOM 145 C THR A 12 -1.451 8.623 -8.145 1.00 0.00 C ATOM 146 O THR A 12 -2.049 8.584 -7.070 1.00 0.00 O ATOM 147 CB THR A 12 -2.990 9.534 -9.885 1.00 0.00 C ATOM 148 OG1 THR A 12 -4.287 9.497 -9.279 1.00 0.00 O ATOM 149 CG2 THR A 12 -3.134 9.582 -11.399 1.00 0.00 C ATOM 0 H THR A 12 -3.530 7.077 -8.435 1.00 0.00 H new ATOM 0 HA THR A 12 -1.434 8.079 -10.222 1.00 0.00 H new ATOM 0 HB THR A 12 -2.461 10.429 -9.557 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.865 8.885 -9.780 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.717 10.459 -11.681 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.146 9.640 -11.857 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.642 8.682 -11.745 1.00 0.00 H new ATOM 157 N VAL A 13 -0.164 8.940 -8.246 1.00 0.00 N ATOM 158 CA VAL A 13 0.637 9.267 -7.072 1.00 0.00 C ATOM 159 C VAL A 13 0.283 10.649 -6.533 1.00 0.00 C ATOM 160 O VAL A 13 0.523 11.661 -7.189 1.00 0.00 O ATOM 161 CB VAL A 13 2.143 9.222 -7.389 1.00 0.00 C ATOM 162 CG1 VAL A 13 2.958 9.647 -6.177 1.00 0.00 C ATOM 163 CG2 VAL A 13 2.548 7.831 -7.853 1.00 0.00 C ATOM 0 H VAL A 13 0.346 8.977 -9.128 1.00 0.00 H new ATOM 0 HA VAL A 13 0.411 8.516 -6.315 1.00 0.00 H new ATOM 0 HB VAL A 13 2.347 9.924 -8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.020 9.609 -6.421 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.687 10.664 -5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.752 8.973 -5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.616 7.817 -8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.330 7.108 -7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.989 7.570 -8.752 1.00 0.00 H new ATOM 173 N ASN A 14 -0.288 10.682 -5.333 1.00 0.00 N ATOM 174 CA ASN A 14 -0.675 11.940 -4.706 1.00 0.00 C ATOM 175 C ASN A 14 0.482 12.526 -3.903 1.00 0.00 C ATOM 176 O ASN A 14 0.835 12.015 -2.839 1.00 0.00 O ATOM 177 CB ASN A 14 -1.886 11.728 -3.795 1.00 0.00 C ATOM 178 CG ASN A 14 -2.972 10.904 -4.460 1.00 0.00 C ATOM 179 OD1 ASN A 14 -3.474 11.262 -5.526 1.00 0.00 O ATOM 180 ND2 ASN A 14 -3.341 9.794 -3.832 1.00 0.00 N ATOM 0 H ASN A 14 -0.493 9.852 -4.776 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.940 12.644 -5.495 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.566 11.231 -2.879 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.294 12.697 -3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.067 9.200 -4.231 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.898 9.536 -2.950 1.00 0.00 H new ATOM 187 N ASP A 15 1.069 13.600 -4.419 1.00 0.00 N ATOM 188 CA ASP A 15 2.186 14.258 -3.750 1.00 0.00 C ATOM 189 C ASP A 15 2.029 14.185 -2.234 1.00 0.00 C ATOM 190 O ASP A 15 2.929 13.729 -1.528 1.00 0.00 O ATOM 191 CB ASP A 15 2.287 15.717 -4.195 1.00 0.00 C ATOM 192 CG ASP A 15 2.628 15.851 -5.666 1.00 0.00 C ATOM 193 OD1 ASP A 15 3.638 15.256 -6.098 1.00 0.00 O ATOM 194 OD2 ASP A 15 1.885 16.550 -6.386 1.00 0.00 O ATOM 0 H ASP A 15 0.790 14.034 -5.299 1.00 0.00 H new ATOM 0 HA ASP A 15 3.102 13.738 -4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.341 16.221 -3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.048 16.223 -3.601 1.00 0.00 H new ATOM 199 N ASP A 16 0.883 14.640 -1.740 1.00 0.00 N ATOM 200 CA ASP A 16 0.608 14.627 -0.308 1.00 0.00 C ATOM 201 C ASP A 16 1.207 13.387 0.349 1.00 0.00 C ATOM 202 O ASP A 16 0.660 12.289 0.238 1.00 0.00 O ATOM 203 CB ASP A 16 -0.899 14.675 -0.055 1.00 0.00 C ATOM 204 CG ASP A 16 -1.479 16.059 -0.275 1.00 0.00 C ATOM 205 OD1 ASP A 16 -0.884 16.835 -1.051 1.00 0.00 O ATOM 206 OD2 ASP A 16 -2.528 16.365 0.329 1.00 0.00 O ATOM 0 H ASP A 16 0.129 15.023 -2.310 1.00 0.00 H new ATOM 0 HA ASP A 16 1.070 15.510 0.133 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.398 13.966 -0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.103 14.357 0.967 1.00 0.00 H new ATOM 211 N ILE A 17 2.333 13.570 1.031 1.00 0.00 N ATOM 212 CA ILE A 17 3.005 12.466 1.705 1.00 0.00 C ATOM 213 C ILE A 17 2.328 12.138 3.031 1.00 0.00 C ATOM 214 O ILE A 17 2.059 13.027 3.840 1.00 0.00 O ATOM 215 CB ILE A 17 4.489 12.785 1.963 1.00 0.00 C ATOM 216 CG1 ILE A 17 4.621 14.045 2.821 1.00 0.00 C ATOM 217 CG2 ILE A 17 5.232 12.953 0.646 1.00 0.00 C ATOM 218 CD1 ILE A 17 6.053 14.485 3.033 1.00 0.00 C ATOM 0 H ILE A 17 2.799 14.472 1.131 1.00 0.00 H new ATOM 0 HA ILE A 17 2.937 11.603 1.043 1.00 0.00 H new ATOM 0 HB ILE A 17 4.936 11.951 2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.066 14.856 2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.158 13.864 3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.280 13.178 0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.162 12.031 0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.787 13.770 0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.070 15.384 3.650 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.607 13.691 3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.515 14.698 2.069 1.00 0.00 H new ATOM 230 N LEU A 18 2.057 10.856 3.249 1.00 0.00 N ATOM 231 CA LEU A 18 1.413 10.409 4.479 1.00 0.00 C ATOM 232 C LEU A 18 1.850 8.992 4.839 1.00 0.00 C ATOM 233 O LEU A 18 2.030 8.146 3.964 1.00 0.00 O ATOM 234 CB LEU A 18 -0.109 10.462 4.331 1.00 0.00 C ATOM 235 CG LEU A 18 -0.735 11.858 4.336 1.00 0.00 C ATOM 236 CD1 LEU A 18 -2.218 11.778 4.011 1.00 0.00 C ATOM 237 CD2 LEU A 18 -0.518 12.534 5.682 1.00 0.00 C ATOM 0 H LEU A 18 2.273 10.108 2.590 1.00 0.00 H new ATOM 0 HA LEU A 18 1.718 11.080 5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.381 9.967 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.553 9.883 5.141 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.247 12.458 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.647 12.780 4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.351 11.334 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.721 11.162 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.970 13.526 5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.980 11.936 6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.551 12.625 5.875 1.00 0.00 H new ATOM 249 N SER A 19 2.017 8.741 6.134 1.00 0.00 N ATOM 250 CA SER A 19 2.435 7.428 6.610 1.00 0.00 C ATOM 251 C SER A 19 1.436 6.354 6.188 1.00 0.00 C ATOM 252 O SER A 19 0.292 6.654 5.849 1.00 0.00 O ATOM 253 CB SER A 19 2.579 7.436 8.133 1.00 0.00 C ATOM 254 OG SER A 19 1.313 7.521 8.765 1.00 0.00 O ATOM 0 H SER A 19 1.869 9.430 6.872 1.00 0.00 H new ATOM 0 HA SER A 19 3.402 7.197 6.162 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.091 6.530 8.458 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.199 8.279 8.438 1.00 0.00 H new ATOM 0 HG SER A 19 1.427 7.839 9.685 1.00 0.00 H new ATOM 260 N MET A 20 1.879 5.101 6.212 1.00 0.00 N ATOM 261 CA MET A 20 1.024 3.982 5.833 1.00 0.00 C ATOM 262 C MET A 20 -0.327 4.067 6.536 1.00 0.00 C ATOM 263 O MET A 20 -1.385 3.984 5.912 1.00 0.00 O ATOM 264 CB MET A 20 1.705 2.655 6.171 1.00 0.00 C ATOM 265 CG MET A 20 1.388 1.540 5.187 1.00 0.00 C ATOM 266 SD MET A 20 -0.050 0.569 5.678 1.00 0.00 S ATOM 267 CE MET A 20 -0.507 -0.172 4.113 1.00 0.00 C ATOM 0 H MET A 20 2.824 4.835 6.490 1.00 0.00 H new ATOM 0 HA MET A 20 0.857 4.033 4.757 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.784 2.807 6.200 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.400 2.344 7.170 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.212 1.970 4.201 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.253 0.882 5.098 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.514 0.145 3.840 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.195 0.145 3.342 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.481 -1.258 4.203 1.00 0.00 H new ATOM 277 N PRO A 21 -0.293 4.236 7.866 1.00 0.00 N ATOM 278 CA PRO A 21 -1.506 4.337 8.683 1.00 0.00 C ATOM 279 C PRO A 21 -2.264 5.637 8.438 1.00 0.00 C ATOM 280 O PRO A 21 -3.341 5.852 8.994 1.00 0.00 O ATOM 281 CB PRO A 21 -0.974 4.290 10.117 1.00 0.00 C ATOM 282 CG PRO A 21 0.425 4.792 10.018 1.00 0.00 C ATOM 283 CD PRO A 21 0.932 4.344 8.676 1.00 0.00 C ATOM 0 HA PRO A 21 -2.219 3.545 8.453 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.572 4.913 10.782 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.004 3.277 10.517 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.457 5.878 10.104 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.042 4.390 10.822 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.633 5.063 8.251 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.455 3.390 8.742 1.00 0.00 H new ATOM 291 N GLN A 22 -1.694 6.500 7.603 1.00 0.00 N ATOM 292 CA GLN A 22 -2.317 7.780 7.286 1.00 0.00 C ATOM 293 C GLN A 22 -2.837 7.792 5.852 1.00 0.00 C ATOM 294 O GLN A 22 -3.806 8.483 5.539 1.00 0.00 O ATOM 295 CB GLN A 22 -1.319 8.921 7.488 1.00 0.00 C ATOM 296 CG GLN A 22 -1.227 9.401 8.927 1.00 0.00 C ATOM 297 CD GLN A 22 -0.394 10.660 9.071 1.00 0.00 C ATOM 298 OE1 GLN A 22 0.826 10.633 8.904 1.00 0.00 O ATOM 299 NE2 GLN A 22 -1.050 11.772 9.381 1.00 0.00 N ATOM 0 H GLN A 22 -0.803 6.336 7.134 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.161 7.921 7.961 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.333 8.592 7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.604 9.759 6.852 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.231 9.589 9.308 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.795 8.612 9.542 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.062 11.748 9.510 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.542 12.650 9.490 1.00 0.00 H new ATOM 308 N ALA A 23 -2.187 7.022 4.986 1.00 0.00 N ATOM 309 CA ALA A 23 -2.585 6.943 3.586 1.00 0.00 C ATOM 310 C ALA A 23 -3.809 6.050 3.413 1.00 0.00 C ATOM 311 O ALA A 23 -4.829 6.477 2.873 1.00 0.00 O ATOM 312 CB ALA A 23 -1.431 6.430 2.737 1.00 0.00 C ATOM 0 H ALA A 23 -1.383 6.444 5.229 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.849 7.946 3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.743 6.376 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.583 7.109 2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.140 5.437 3.080 1.00 0.00 H new ATOM 318 N ARG A 24 -3.699 4.808 3.873 1.00 0.00 N ATOM 319 CA ARG A 24 -4.797 3.854 3.767 1.00 0.00 C ATOM 320 C ARG A 24 -6.088 4.447 4.325 1.00 0.00 C ATOM 321 O ARG A 24 -7.165 4.252 3.763 1.00 0.00 O ATOM 322 CB ARG A 24 -4.453 2.563 4.512 1.00 0.00 C ATOM 323 CG ARG A 24 -4.329 2.743 6.016 1.00 0.00 C ATOM 324 CD ARG A 24 -3.902 1.452 6.698 1.00 0.00 C ATOM 325 NE ARG A 24 -4.352 1.391 8.086 1.00 0.00 N ATOM 326 CZ ARG A 24 -4.331 0.283 8.818 1.00 0.00 C ATOM 327 NH1 ARG A 24 -3.884 -0.851 8.296 1.00 0.00 N ATOM 328 NH2 ARG A 24 -4.757 0.307 10.074 1.00 0.00 N ATOM 0 H ARG A 24 -2.861 4.439 4.323 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.948 3.627 2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.222 1.818 4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.514 2.168 4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.603 3.527 6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.284 3.073 6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.305 0.601 6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.816 1.367 6.665 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.702 2.247 8.517 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.555 -0.873 7.331 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.869 -1.701 8.860 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.101 1.177 10.479 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.740 -0.545 10.635 1.00 0.00 H new ATOM 342 N ASN A 25 -5.970 5.171 5.433 1.00 0.00 N ATOM 343 CA ASN A 25 -7.128 5.791 6.067 1.00 0.00 C ATOM 344 C ASN A 25 -7.723 6.875 5.173 1.00 0.00 C ATOM 345 O ASN A 25 -8.937 7.079 5.150 1.00 0.00 O ATOM 346 CB ASN A 25 -6.735 6.389 7.420 1.00 0.00 C ATOM 347 CG ASN A 25 -7.606 7.569 7.805 1.00 0.00 C ATOM 348 OD1 ASN A 25 -8.825 7.539 7.630 1.00 0.00 O ATOM 349 ND2 ASN A 25 -6.984 8.617 8.333 1.00 0.00 N ATOM 0 H ASN A 25 -5.085 5.343 5.910 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.882 5.020 6.223 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.809 5.620 8.189 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.693 6.706 7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.518 9.440 8.612 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.972 8.599 8.460 1.00 0.00 H new ATOM 356 N PHE A 26 -6.859 7.566 4.437 1.00 0.00 N ATOM 357 CA PHE A 26 -7.299 8.629 3.540 1.00 0.00 C ATOM 358 C PHE A 26 -8.083 8.058 2.363 1.00 0.00 C ATOM 359 O PHE A 26 -9.277 8.319 2.212 1.00 0.00 O ATOM 360 CB PHE A 26 -6.095 9.424 3.029 1.00 0.00 C ATOM 361 CG PHE A 26 -6.447 10.428 1.969 1.00 0.00 C ATOM 362 CD1 PHE A 26 -6.520 10.052 0.637 1.00 0.00 C ATOM 363 CD2 PHE A 26 -6.704 11.748 2.304 1.00 0.00 C ATOM 364 CE1 PHE A 26 -6.843 10.975 -0.341 1.00 0.00 C ATOM 365 CE2 PHE A 26 -7.028 12.674 1.330 1.00 0.00 C ATOM 366 CZ PHE A 26 -7.098 12.287 0.007 1.00 0.00 C ATOM 0 H PHE A 26 -5.851 7.409 4.444 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.955 9.295 4.100 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.629 9.941 3.868 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.354 8.731 2.630 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.322 9.027 0.360 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.651 12.057 3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.896 10.670 -1.376 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.226 13.700 1.604 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.352 13.009 -0.755 1.00 0.00 H new ATOM 376 N CYS A 27 -7.403 7.278 1.529 1.00 0.00 N ATOM 377 CA CYS A 27 -8.034 6.670 0.364 1.00 0.00 C ATOM 378 C CYS A 27 -9.435 6.171 0.703 1.00 0.00 C ATOM 379 O CYS A 27 -10.366 6.321 -0.088 1.00 0.00 O ATOM 380 CB CYS A 27 -7.180 5.512 -0.158 1.00 0.00 C ATOM 381 SG CYS A 27 -5.663 6.036 -1.019 1.00 0.00 S ATOM 0 H CYS A 27 -6.414 7.052 1.639 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.117 7.431 -0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.906 4.870 0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.781 4.909 -0.838 1.00 0.00 H new ATOM 386 N ALA A 28 -9.577 5.577 1.883 1.00 0.00 N ATOM 387 CA ALA A 28 -10.864 5.058 2.328 1.00 0.00 C ATOM 388 C ALA A 28 -11.881 6.182 2.497 1.00 0.00 C ATOM 389 O ALA A 28 -12.988 6.116 1.965 1.00 0.00 O ATOM 390 CB ALA A 28 -10.702 4.289 3.631 1.00 0.00 C ATOM 0 H ALA A 28 -8.816 5.443 2.549 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.237 4.378 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.671 3.907 3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.016 3.456 3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.302 4.953 4.398 1.00 0.00 H new ATOM 396 N SER A 29 -11.496 7.213 3.243 1.00 0.00 N ATOM 397 CA SER A 29 -12.376 8.350 3.487 1.00 0.00 C ATOM 398 C SER A 29 -12.832 8.976 2.172 1.00 0.00 C ATOM 399 O SER A 29 -13.992 9.359 2.024 1.00 0.00 O ATOM 400 CB SER A 29 -11.664 9.399 4.344 1.00 0.00 C ATOM 401 OG SER A 29 -12.597 10.207 5.041 1.00 0.00 O ATOM 0 H SER A 29 -10.581 7.284 3.689 1.00 0.00 H new ATOM 0 HA SER A 29 -13.254 7.989 4.022 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.004 8.904 5.056 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.037 10.026 3.710 1.00 0.00 H new ATOM 0 HG SER A 29 -12.117 10.868 5.582 1.00 0.00 H new ATOM 407 N ALA A 30 -11.909 9.077 1.221 1.00 0.00 N ATOM 408 CA ALA A 30 -12.215 9.654 -0.082 1.00 0.00 C ATOM 409 C ALA A 30 -13.188 8.773 -0.858 1.00 0.00 C ATOM 410 O ALA A 30 -14.111 9.269 -1.503 1.00 0.00 O ATOM 411 CB ALA A 30 -10.937 9.863 -0.880 1.00 0.00 C ATOM 0 H ALA A 30 -10.943 8.767 1.329 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.691 10.621 0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.181 10.294 -1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.276 10.539 -0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.437 8.905 -1.024 1.00 0.00 H new ATOM 417 N GLY A 31 -12.975 7.462 -0.791 1.00 0.00 N ATOM 418 CA GLY A 31 -13.841 6.533 -1.493 1.00 0.00 C ATOM 419 C GLY A 31 -13.063 5.488 -2.268 1.00 0.00 C ATOM 420 O GLY A 31 -13.405 5.165 -3.405 1.00 0.00 O ATOM 0 H GLY A 31 -12.218 7.027 -0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.494 6.037 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.483 7.086 -2.179 1.00 0.00 H new ATOM 424 N GLY A 32 -12.011 4.957 -1.651 1.00 0.00 N ATOM 425 CA GLY A 32 -11.198 3.949 -2.306 1.00 0.00 C ATOM 426 C GLY A 32 -10.239 3.267 -1.350 1.00 0.00 C ATOM 427 O GLY A 32 -10.491 3.203 -0.147 1.00 0.00 O ATOM 0 H GLY A 32 -11.708 5.207 -0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.848 3.201 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.632 4.412 -3.115 1.00 0.00 H new ATOM 431 N TYR A 33 -9.136 2.756 -1.886 1.00 0.00 N ATOM 432 CA TYR A 33 -8.138 2.071 -1.073 1.00 0.00 C ATOM 433 C TYR A 33 -6.809 1.968 -1.815 1.00 0.00 C ATOM 434 O TYR A 33 -6.727 2.254 -3.010 1.00 0.00 O ATOM 435 CB TYR A 33 -8.631 0.675 -0.691 1.00 0.00 C ATOM 436 CG TYR A 33 -8.775 -0.261 -1.871 1.00 0.00 C ATOM 437 CD1 TYR A 33 -9.669 0.017 -2.897 1.00 0.00 C ATOM 438 CD2 TYR A 33 -8.017 -1.422 -1.958 1.00 0.00 C ATOM 439 CE1 TYR A 33 -9.805 -0.835 -3.976 1.00 0.00 C ATOM 440 CE2 TYR A 33 -8.144 -2.278 -3.034 1.00 0.00 C ATOM 441 CZ TYR A 33 -9.039 -1.981 -4.041 1.00 0.00 C ATOM 442 OH TYR A 33 -9.170 -2.832 -5.114 1.00 0.00 O ATOM 0 H TYR A 33 -8.911 2.803 -2.880 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.983 2.655 -0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.937 0.237 0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.594 0.764 -0.189 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.268 0.914 -2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -7.317 -1.659 -1.171 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.507 -0.605 -4.764 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -7.546 -3.176 -3.087 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.411 -3.452 -5.135 1.00 0.00 H new ATOM 452 N LEU A 34 -5.769 1.557 -1.098 1.00 0.00 N ATOM 453 CA LEU A 34 -4.442 1.415 -1.686 1.00 0.00 C ATOM 454 C LEU A 34 -4.484 0.506 -2.911 1.00 0.00 C ATOM 455 O LEU A 34 -5.157 -0.524 -2.909 1.00 0.00 O ATOM 456 CB LEU A 34 -3.462 0.854 -0.654 1.00 0.00 C ATOM 457 CG LEU A 34 -2.909 1.856 0.360 1.00 0.00 C ATOM 458 CD1 LEU A 34 -2.229 1.130 1.511 1.00 0.00 C ATOM 459 CD2 LEU A 34 -1.940 2.817 -0.313 1.00 0.00 C ATOM 0 H LEU A 34 -5.819 1.316 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.103 2.402 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.960 0.052 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.623 0.405 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.741 2.433 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.842 1.859 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.951 0.483 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.407 0.527 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.557 3.523 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.111 2.256 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.458 3.362 -1.102 1.00 0.00 H new ATOM 471 N ALA A 35 -3.758 0.894 -3.954 1.00 0.00 N ATOM 472 CA ALA A 35 -3.709 0.113 -5.184 1.00 0.00 C ATOM 473 C ALA A 35 -2.683 -1.010 -5.080 1.00 0.00 C ATOM 474 O ALA A 35 -1.491 -0.760 -4.903 1.00 0.00 O ATOM 475 CB ALA A 35 -3.391 1.013 -6.369 1.00 0.00 C ATOM 0 H ALA A 35 -3.195 1.745 -3.972 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.689 -0.338 -5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.358 0.416 -7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.163 1.777 -6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.424 1.492 -6.213 1.00 0.00 H new ATOM 481 N ASP A 36 -3.154 -2.247 -5.191 1.00 0.00 N ATOM 482 CA ASP A 36 -2.277 -3.410 -5.109 1.00 0.00 C ATOM 483 C ASP A 36 -1.229 -3.378 -6.218 1.00 0.00 C ATOM 484 O ASP A 36 -1.442 -2.775 -7.270 1.00 0.00 O ATOM 485 CB ASP A 36 -3.094 -4.699 -5.200 1.00 0.00 C ATOM 486 CG ASP A 36 -4.166 -4.632 -6.269 1.00 0.00 C ATOM 487 OD1 ASP A 36 -4.988 -3.693 -6.227 1.00 0.00 O ATOM 488 OD2 ASP A 36 -4.184 -5.519 -7.149 1.00 0.00 O ATOM 0 H ASP A 36 -4.138 -2.471 -5.338 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.765 -3.381 -4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.426 -5.534 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.560 -4.899 -4.235 1.00 0.00 H new ATOM 493 N ASP A 37 -0.098 -4.030 -5.974 1.00 0.00 N ATOM 494 CA ASP A 37 0.984 -4.077 -6.951 1.00 0.00 C ATOM 495 C ASP A 37 1.353 -5.519 -7.284 1.00 0.00 C ATOM 496 O ASP A 37 2.517 -5.911 -7.190 1.00 0.00 O ATOM 497 CB ASP A 37 2.211 -3.333 -6.422 1.00 0.00 C ATOM 498 CG ASP A 37 1.980 -1.838 -6.314 1.00 0.00 C ATOM 499 OD1 ASP A 37 0.975 -1.436 -5.690 1.00 0.00 O ATOM 500 OD2 ASP A 37 2.804 -1.071 -6.853 1.00 0.00 O ATOM 0 H ASP A 37 0.094 -4.534 -5.108 1.00 0.00 H new ATOM 0 HA ASP A 37 0.638 -3.589 -7.862 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.477 -3.728 -5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.058 -3.520 -7.082 1.00 0.00 H new ATOM 505 N LEU A 38 0.355 -6.305 -7.674 1.00 0.00 N ATOM 506 CA LEU A 38 0.574 -7.705 -8.020 1.00 0.00 C ATOM 507 C LEU A 38 0.122 -7.989 -9.449 1.00 0.00 C ATOM 508 O LEU A 38 -1.063 -7.901 -9.766 1.00 0.00 O ATOM 509 CB LEU A 38 -0.176 -8.615 -7.046 1.00 0.00 C ATOM 510 CG LEU A 38 -1.622 -8.225 -6.741 1.00 0.00 C ATOM 511 CD1 LEU A 38 -2.572 -8.880 -7.731 1.00 0.00 C ATOM 512 CD2 LEU A 38 -1.988 -8.608 -5.314 1.00 0.00 C ATOM 0 H LEU A 38 -0.614 -5.996 -7.758 1.00 0.00 H new ATOM 0 HA LEU A 38 1.642 -7.909 -7.948 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.171 -9.628 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.377 -8.643 -6.107 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.715 -7.144 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.597 -8.591 -7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.324 -8.556 -8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.477 -9.964 -7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.021 -8.323 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.878 -9.685 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.328 -8.091 -4.618 1.00 0.00 H new ATOM 524 N GLY A 39 1.077 -8.333 -10.309 1.00 0.00 N ATOM 525 CA GLY A 39 0.757 -8.627 -11.694 1.00 0.00 C ATOM 526 C GLY A 39 1.779 -8.058 -12.658 1.00 0.00 C ATOM 527 O GLY A 39 1.939 -6.841 -12.757 1.00 0.00 O ATOM 0 H GLY A 39 2.066 -8.413 -10.071 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.697 -9.707 -11.829 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.227 -8.221 -11.931 1.00 0.00 H new ATOM 531 N ASP A 40 2.472 -8.939 -13.370 1.00 0.00 N ATOM 532 CA ASP A 40 3.485 -8.518 -14.331 1.00 0.00 C ATOM 533 C ASP A 40 3.077 -7.218 -15.016 1.00 0.00 C ATOM 534 O ASP A 40 3.921 -6.380 -15.333 1.00 0.00 O ATOM 535 CB ASP A 40 3.712 -9.611 -15.377 1.00 0.00 C ATOM 536 CG ASP A 40 4.560 -10.751 -14.849 1.00 0.00 C ATOM 537 OD1 ASP A 40 4.158 -11.375 -13.845 1.00 0.00 O ATOM 538 OD2 ASP A 40 5.627 -11.019 -15.440 1.00 0.00 O ATOM 0 H ASP A 40 2.351 -9.949 -13.300 1.00 0.00 H new ATOM 0 HA ASP A 40 4.415 -8.346 -13.789 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.749 -10.001 -15.706 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.196 -9.177 -16.252 1.00 0.00 H new ATOM 543 N ASP A 41 1.778 -7.057 -15.243 1.00 0.00 N ATOM 544 CA ASP A 41 1.257 -5.859 -15.891 1.00 0.00 C ATOM 545 C ASP A 41 1.010 -4.753 -14.869 1.00 0.00 C ATOM 546 O ASP A 41 1.308 -3.585 -15.119 1.00 0.00 O ATOM 547 CB ASP A 41 -0.039 -6.179 -16.637 1.00 0.00 C ATOM 548 CG ASP A 41 0.209 -6.610 -18.069 1.00 0.00 C ATOM 549 OD1 ASP A 41 1.025 -7.532 -18.279 1.00 0.00 O ATOM 550 OD2 ASP A 41 -0.414 -6.026 -18.981 1.00 0.00 O ATOM 0 H ASP A 41 1.066 -7.741 -14.988 1.00 0.00 H new ATOM 0 HA ASP A 41 2.002 -5.510 -16.606 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.573 -6.970 -16.110 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.684 -5.301 -16.632 1.00 0.00 H new ATOM 555 N LYS A 42 0.463 -5.129 -13.718 1.00 0.00 N ATOM 556 CA LYS A 42 0.176 -4.170 -12.658 1.00 0.00 C ATOM 557 C LYS A 42 1.452 -3.479 -12.189 1.00 0.00 C ATOM 558 O LYS A 42 1.495 -2.256 -12.057 1.00 0.00 O ATOM 559 CB LYS A 42 -0.500 -4.871 -11.478 1.00 0.00 C ATOM 560 CG LYS A 42 -1.447 -3.974 -10.699 1.00 0.00 C ATOM 561 CD LYS A 42 -2.737 -3.728 -11.462 1.00 0.00 C ATOM 562 CE LYS A 42 -3.368 -2.399 -11.076 1.00 0.00 C ATOM 563 NZ LYS A 42 -4.679 -2.191 -11.751 1.00 0.00 N ATOM 0 H LYS A 42 0.209 -6.092 -13.495 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.499 -3.414 -13.059 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.053 -5.735 -11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.267 -5.249 -10.802 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.674 -4.432 -9.737 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.959 -3.022 -10.491 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.535 -3.739 -12.533 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.439 -4.537 -11.262 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.506 -2.363 -9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.691 -1.586 -11.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.077 -1.274 -11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.544 -2.200 -12.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.333 -2.953 -11.481 1.00 0.00 H new ATOM 577 N ASN A 43 2.491 -4.270 -11.940 1.00 0.00 N ATOM 578 CA ASN A 43 3.769 -3.733 -11.487 1.00 0.00 C ATOM 579 C ASN A 43 4.341 -2.754 -12.508 1.00 0.00 C ATOM 580 O ASN A 43 4.618 -1.599 -12.188 1.00 0.00 O ATOM 581 CB ASN A 43 4.764 -4.869 -11.239 1.00 0.00 C ATOM 582 CG ASN A 43 6.198 -4.380 -11.187 1.00 0.00 C ATOM 583 OD1 ASN A 43 6.802 -4.305 -10.116 1.00 0.00 O ATOM 584 ND2 ASN A 43 6.751 -4.043 -12.346 1.00 0.00 N ATOM 0 H ASN A 43 2.473 -5.284 -12.044 1.00 0.00 H new ATOM 0 HA ASN A 43 3.599 -3.197 -10.553 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.518 -5.365 -10.300 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.665 -5.614 -12.029 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.713 -3.706 -12.373 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.213 -4.121 -13.209 1.00 0.00 H new ATOM 591 N ASN A 44 4.514 -3.226 -13.738 1.00 0.00 N ATOM 592 CA ASN A 44 5.053 -2.392 -14.807 1.00 0.00 C ATOM 593 C ASN A 44 4.319 -1.057 -14.879 1.00 0.00 C ATOM 594 O ASN A 44 4.936 0.007 -14.825 1.00 0.00 O ATOM 595 CB ASN A 44 4.948 -3.118 -16.150 1.00 0.00 C ATOM 596 CG ASN A 44 6.007 -4.191 -16.312 1.00 0.00 C ATOM 597 OD1 ASN A 44 7.144 -4.029 -15.869 1.00 0.00 O ATOM 598 ND2 ASN A 44 5.637 -5.296 -16.950 1.00 0.00 N ATOM 0 H ASN A 44 4.289 -4.180 -14.020 1.00 0.00 H new ATOM 0 HA ASN A 44 6.103 -2.197 -14.588 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.960 -3.570 -16.239 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.042 -2.394 -16.959 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.306 -6.053 -17.089 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.684 -5.387 -17.301 1.00 0.00 H new ATOM 605 N PHE A 45 2.997 -1.121 -15.000 1.00 0.00 N ATOM 606 CA PHE A 45 2.177 0.083 -15.080 1.00 0.00 C ATOM 607 C PHE A 45 2.669 1.141 -14.097 1.00 0.00 C ATOM 608 O PHE A 45 2.883 2.296 -14.467 1.00 0.00 O ATOM 609 CB PHE A 45 0.712 -0.253 -14.794 1.00 0.00 C ATOM 610 CG PHE A 45 -0.117 0.945 -14.429 1.00 0.00 C ATOM 611 CD1 PHE A 45 -0.256 2.004 -15.312 1.00 0.00 C ATOM 612 CD2 PHE A 45 -0.757 1.013 -13.202 1.00 0.00 C ATOM 613 CE1 PHE A 45 -1.018 3.108 -14.979 1.00 0.00 C ATOM 614 CE2 PHE A 45 -1.521 2.114 -12.863 1.00 0.00 C ATOM 615 CZ PHE A 45 -1.650 3.163 -13.752 1.00 0.00 C ATOM 0 H PHE A 45 2.471 -1.993 -15.045 1.00 0.00 H new ATOM 0 HA PHE A 45 2.260 0.484 -16.090 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.279 -0.731 -15.673 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.666 -0.978 -13.982 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.237 1.966 -16.272 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.658 0.196 -12.502 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.119 3.926 -15.677 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.016 2.154 -11.904 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.244 4.025 -13.488 1.00 0.00 H new ATOM 625 N TYR A 46 2.847 0.739 -12.844 1.00 0.00 N ATOM 626 CA TYR A 46 3.310 1.653 -11.806 1.00 0.00 C ATOM 627 C TYR A 46 4.747 2.092 -12.070 1.00 0.00 C ATOM 628 O TYR A 46 5.073 3.276 -11.979 1.00 0.00 O ATOM 629 CB TYR A 46 3.212 0.989 -10.432 1.00 0.00 C ATOM 630 CG TYR A 46 1.794 0.673 -10.012 1.00 0.00 C ATOM 631 CD1 TYR A 46 0.806 1.650 -10.041 1.00 0.00 C ATOM 632 CD2 TYR A 46 1.443 -0.602 -9.586 1.00 0.00 C ATOM 633 CE1 TYR A 46 -0.490 1.365 -9.657 1.00 0.00 C ATOM 634 CE2 TYR A 46 0.148 -0.895 -9.202 1.00 0.00 C ATOM 635 CZ TYR A 46 -0.814 0.092 -9.239 1.00 0.00 C ATOM 636 OH TYR A 46 -2.105 -0.196 -8.858 1.00 0.00 O ATOM 0 H TYR A 46 2.678 -0.214 -12.522 1.00 0.00 H new ATOM 0 HA TYR A 46 2.670 2.535 -11.822 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.793 0.067 -10.441 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.665 1.644 -9.688 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.056 2.648 -10.369 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.195 -1.377 -9.554 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.246 2.136 -9.684 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.109 -1.892 -8.875 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.115 -1.025 -8.335 1.00 0.00 H new ATOM 646 N SER A 47 5.603 1.129 -12.397 1.00 0.00 N ATOM 647 CA SER A 47 7.006 1.415 -12.671 1.00 0.00 C ATOM 648 C SER A 47 7.154 2.723 -13.442 1.00 0.00 C ATOM 649 O SER A 47 7.965 3.578 -13.086 1.00 0.00 O ATOM 650 CB SER A 47 7.636 0.268 -13.464 1.00 0.00 C ATOM 651 OG SER A 47 7.597 0.529 -14.856 1.00 0.00 O ATOM 0 H SER A 47 5.349 0.144 -12.479 1.00 0.00 H new ATOM 0 HA SER A 47 7.524 1.516 -11.717 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.669 0.126 -13.146 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.106 -0.660 -13.250 1.00 0.00 H new ATOM 0 HG SER A 47 6.678 0.429 -15.182 1.00 0.00 H new ATOM 657 N SER A 48 6.365 2.871 -14.501 1.00 0.00 N ATOM 658 CA SER A 48 6.409 4.072 -15.326 1.00 0.00 C ATOM 659 C SER A 48 6.137 5.317 -14.488 1.00 0.00 C ATOM 660 O SER A 48 7.042 6.109 -14.220 1.00 0.00 O ATOM 661 CB SER A 48 5.389 3.975 -16.462 1.00 0.00 C ATOM 662 OG SER A 48 5.914 3.248 -17.559 1.00 0.00 O ATOM 0 H SER A 48 5.687 2.173 -14.808 1.00 0.00 H new ATOM 0 HA SER A 48 7.409 4.153 -15.752 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.483 3.489 -16.100 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.106 4.976 -16.787 1.00 0.00 H new ATOM 0 HG SER A 48 5.242 3.199 -18.271 1.00 0.00 H new ATOM 668 N ILE A 49 4.885 5.483 -14.076 1.00 0.00 N ATOM 669 CA ILE A 49 4.492 6.631 -13.267 1.00 0.00 C ATOM 670 C ILE A 49 5.361 6.746 -12.020 1.00 0.00 C ATOM 671 O ILE A 49 5.414 7.798 -11.383 1.00 0.00 O ATOM 672 CB ILE A 49 3.014 6.542 -12.844 1.00 0.00 C ATOM 673 CG1 ILE A 49 2.822 5.428 -11.813 1.00 0.00 C ATOM 674 CG2 ILE A 49 2.129 6.306 -14.058 1.00 0.00 C ATOM 675 CD1 ILE A 49 1.464 5.447 -11.148 1.00 0.00 C ATOM 0 H ILE A 49 4.125 4.837 -14.289 1.00 0.00 H new ATOM 0 HA ILE A 49 4.630 7.517 -13.887 1.00 0.00 H new ATOM 0 HB ILE A 49 2.725 7.488 -12.387 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.965 4.464 -12.301 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.593 5.515 -11.048 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.087 6.245 -13.743 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.248 7.131 -14.761 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.416 5.373 -14.542 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.399 4.630 -10.430 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.325 6.396 -10.631 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.687 5.329 -11.903 1.00 0.00 H new ATOM 687 N ALA A 50 6.043 5.658 -11.677 1.00 0.00 N ATOM 688 CA ALA A 50 6.913 5.639 -10.508 1.00 0.00 C ATOM 689 C ALA A 50 8.302 6.168 -10.848 1.00 0.00 C ATOM 690 O ALA A 50 9.269 5.904 -10.134 1.00 0.00 O ATOM 691 CB ALA A 50 7.007 4.229 -9.943 1.00 0.00 C ATOM 0 H ALA A 50 6.010 4.778 -12.192 1.00 0.00 H new ATOM 0 HA ALA A 50 6.479 6.294 -9.752 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.660 4.230 -9.070 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.014 3.886 -9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.415 3.560 -10.701 1.00 0.00 H new ATOM 697 N ALA A 51 8.394 6.914 -11.944 1.00 0.00 N ATOM 698 CA ALA A 51 9.665 7.481 -12.378 1.00 0.00 C ATOM 699 C ALA A 51 10.367 8.198 -11.230 1.00 0.00 C ATOM 700 O ALA A 51 10.079 9.359 -10.942 1.00 0.00 O ATOM 701 CB ALA A 51 9.447 8.434 -13.544 1.00 0.00 C ATOM 0 H ALA A 51 7.603 7.140 -12.548 1.00 0.00 H new ATOM 0 HA ALA A 51 10.306 6.663 -12.707 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.404 8.850 -13.858 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.996 7.894 -14.376 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.784 9.242 -13.234 1.00 0.00 H new ATOM 707 N ASN A 52 11.288 7.498 -10.576 1.00 0.00 N ATOM 708 CA ASN A 52 12.030 8.069 -9.457 1.00 0.00 C ATOM 709 C ASN A 52 11.082 8.542 -8.360 1.00 0.00 C ATOM 710 O ASN A 52 11.298 9.586 -7.744 1.00 0.00 O ATOM 711 CB ASN A 52 12.898 9.235 -9.936 1.00 0.00 C ATOM 712 CG ASN A 52 13.857 8.828 -11.037 1.00 0.00 C ATOM 713 OD1 ASN A 52 15.067 8.748 -10.824 1.00 0.00 O ATOM 714 ND2 ASN A 52 13.320 8.568 -12.224 1.00 0.00 N ATOM 0 H ASN A 52 11.539 6.535 -10.801 1.00 0.00 H new ATOM 0 HA ASN A 52 12.673 7.291 -9.045 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.256 10.038 -10.296 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.464 9.633 -9.094 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.916 8.289 -13.003 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.312 8.647 -12.356 1.00 0.00 H new ATOM 721 N THR A 53 10.029 7.767 -8.120 1.00 0.00 N ATOM 722 CA THR A 53 9.047 8.106 -7.098 1.00 0.00 C ATOM 723 C THR A 53 8.681 6.886 -6.261 1.00 0.00 C ATOM 724 O THR A 53 8.332 5.836 -6.798 1.00 0.00 O ATOM 725 CB THR A 53 7.765 8.689 -7.723 1.00 0.00 C ATOM 726 OG1 THR A 53 8.092 9.798 -8.568 1.00 0.00 O ATOM 727 CG2 THR A 53 6.793 9.138 -6.643 1.00 0.00 C ATOM 0 H THR A 53 9.834 6.900 -8.620 1.00 0.00 H new ATOM 0 HA THR A 53 9.505 8.859 -6.457 1.00 0.00 H new ATOM 0 HB THR A 53 7.289 7.908 -8.317 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.645 9.488 -9.315 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.896 9.546 -7.108 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.523 8.286 -6.019 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.263 9.904 -6.027 1.00 0.00 H new ATOM 735 N GLN A 54 8.763 7.034 -4.942 1.00 0.00 N ATOM 736 CA GLN A 54 8.440 5.942 -4.031 1.00 0.00 C ATOM 737 C GLN A 54 7.112 6.197 -3.325 1.00 0.00 C ATOM 738 O GLN A 54 6.947 7.204 -2.636 1.00 0.00 O ATOM 739 CB GLN A 54 9.554 5.766 -2.998 1.00 0.00 C ATOM 740 CG GLN A 54 10.939 5.641 -3.612 1.00 0.00 C ATOM 741 CD GLN A 54 12.037 5.581 -2.569 1.00 0.00 C ATOM 742 OE1 GLN A 54 11.849 6.004 -1.428 1.00 0.00 O ATOM 743 NE2 GLN A 54 13.193 5.053 -2.955 1.00 0.00 N ATOM 0 H GLN A 54 9.050 7.898 -4.481 1.00 0.00 H new ATOM 0 HA GLN A 54 8.349 5.028 -4.617 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.543 6.616 -2.316 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.348 4.877 -2.402 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.979 4.743 -4.228 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.117 6.489 -4.273 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.305 4.715 -3.911 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.968 4.986 -2.296 1.00 0.00 H new ATOM 752 N PHE A 55 6.168 5.279 -3.502 1.00 0.00 N ATOM 753 CA PHE A 55 4.854 5.405 -2.883 1.00 0.00 C ATOM 754 C PHE A 55 4.441 4.098 -2.211 1.00 0.00 C ATOM 755 O PHE A 55 4.957 3.030 -2.539 1.00 0.00 O ATOM 756 CB PHE A 55 3.811 5.806 -3.928 1.00 0.00 C ATOM 757 CG PHE A 55 3.607 4.772 -4.998 1.00 0.00 C ATOM 758 CD1 PHE A 55 4.515 4.641 -6.037 1.00 0.00 C ATOM 759 CD2 PHE A 55 2.507 3.930 -4.966 1.00 0.00 C ATOM 760 CE1 PHE A 55 4.329 3.691 -7.023 1.00 0.00 C ATOM 761 CE2 PHE A 55 2.316 2.977 -5.949 1.00 0.00 C ATOM 762 CZ PHE A 55 3.229 2.857 -6.979 1.00 0.00 C ATOM 0 H PHE A 55 6.288 4.440 -4.069 1.00 0.00 H new ATOM 0 HA PHE A 55 4.912 6.182 -2.121 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.861 5.993 -3.428 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.116 6.743 -4.393 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.378 5.289 -6.076 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.790 4.019 -4.163 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.044 3.601 -7.828 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.454 2.327 -5.912 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.083 2.113 -7.748 1.00 0.00 H new ATOM 772 N TRP A 56 3.508 4.193 -1.271 1.00 0.00 N ATOM 773 CA TRP A 56 3.027 3.019 -0.552 1.00 0.00 C ATOM 774 C TRP A 56 2.237 2.100 -1.478 1.00 0.00 C ATOM 775 O TRP A 56 1.819 2.507 -2.562 1.00 0.00 O ATOM 776 CB TRP A 56 2.155 3.442 0.631 1.00 0.00 C ATOM 777 CG TRP A 56 2.928 4.103 1.732 1.00 0.00 C ATOM 778 CD1 TRP A 56 2.770 5.379 2.193 1.00 0.00 C ATOM 779 CD2 TRP A 56 3.981 3.521 2.509 1.00 0.00 C ATOM 780 NE1 TRP A 56 3.661 5.625 3.209 1.00 0.00 N ATOM 781 CE2 TRP A 56 4.415 4.502 3.422 1.00 0.00 C ATOM 782 CE3 TRP A 56 4.598 2.268 2.523 1.00 0.00 C ATOM 783 CZ2 TRP A 56 5.437 4.265 4.337 1.00 0.00 C ATOM 784 CZ3 TRP A 56 5.612 2.035 3.431 1.00 0.00 C ATOM 785 CH2 TRP A 56 6.024 3.029 4.329 1.00 0.00 C ATOM 0 H TRP A 56 3.070 5.070 -0.989 1.00 0.00 H new ATOM 0 HA TRP A 56 3.893 2.472 -0.179 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.383 4.125 0.278 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.646 2.565 1.030 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.050 6.090 1.814 1.00 0.00 H new ATOM 0 HE1 TRP A 56 3.747 6.502 3.722 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.287 1.495 1.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.756 5.030 5.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.096 1.070 3.449 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.819 2.815 5.028 1.00 0.00 H new ATOM 796 N ILE A 57 2.037 0.860 -1.044 1.00 0.00 N ATOM 797 CA ILE A 57 1.297 -0.116 -1.835 1.00 0.00 C ATOM 798 C ILE A 57 0.459 -1.025 -0.942 1.00 0.00 C ATOM 799 O ILE A 57 0.609 -1.022 0.279 1.00 0.00 O ATOM 800 CB ILE A 57 2.241 -0.982 -2.689 1.00 0.00 C ATOM 801 CG1 ILE A 57 3.262 -1.693 -1.798 1.00 0.00 C ATOM 802 CG2 ILE A 57 2.945 -0.127 -3.732 1.00 0.00 C ATOM 803 CD1 ILE A 57 4.040 -2.774 -2.515 1.00 0.00 C ATOM 0 H ILE A 57 2.377 0.507 -0.149 1.00 0.00 H new ATOM 0 HA ILE A 57 0.639 0.448 -2.496 1.00 0.00 H new ATOM 0 HB ILE A 57 1.649 -1.738 -3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.961 -0.957 -1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.744 -2.134 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.609 -0.753 -4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.204 0.338 -4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.527 0.648 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.745 -3.235 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.351 -3.531 -2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.586 -2.336 -3.351 1.00 0.00 H new ATOM 815 N GLY A 58 -0.422 -1.805 -1.561 1.00 0.00 N ATOM 816 CA GLY A 58 -1.269 -2.710 -0.807 1.00 0.00 C ATOM 817 C GLY A 58 -0.473 -3.755 -0.051 1.00 0.00 C ATOM 818 O GLY A 58 -1.014 -4.465 0.797 1.00 0.00 O ATOM 0 H GLY A 58 -0.564 -1.826 -2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.871 -2.137 -0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.961 -3.207 -1.487 1.00 0.00 H new ATOM 822 N LEU A 59 0.816 -3.852 -0.360 1.00 0.00 N ATOM 823 CA LEU A 59 1.689 -4.820 0.296 1.00 0.00 C ATOM 824 C LEU A 59 2.098 -4.332 1.682 1.00 0.00 C ATOM 825 O LEU A 59 2.832 -3.352 1.815 1.00 0.00 O ATOM 826 CB LEU A 59 2.933 -5.073 -0.557 1.00 0.00 C ATOM 827 CG LEU A 59 3.734 -6.331 -0.218 1.00 0.00 C ATOM 828 CD1 LEU A 59 2.887 -7.576 -0.430 1.00 0.00 C ATOM 829 CD2 LEU A 59 5.002 -6.397 -1.056 1.00 0.00 C ATOM 0 H LEU A 59 1.279 -3.273 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 59 1.137 -5.753 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.627 -5.132 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.593 -4.210 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 59 4.019 -6.285 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.473 -8.461 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.008 -7.532 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.571 -7.628 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.560 -7.298 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.739 -6.419 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.618 -5.520 -0.854 1.00 0.00 H new ATOM 841 N PHE A 60 1.622 -5.024 2.712 1.00 0.00 N ATOM 842 CA PHE A 60 1.939 -4.662 4.088 1.00 0.00 C ATOM 843 C PHE A 60 2.025 -5.904 4.971 1.00 0.00 C ATOM 844 O PHE A 60 1.209 -6.819 4.856 1.00 0.00 O ATOM 845 CB PHE A 60 0.886 -3.701 4.641 1.00 0.00 C ATOM 846 CG PHE A 60 -0.469 -4.328 4.810 1.00 0.00 C ATOM 847 CD1 PHE A 60 -0.693 -5.265 5.806 1.00 0.00 C ATOM 848 CD2 PHE A 60 -1.517 -3.980 3.974 1.00 0.00 C ATOM 849 CE1 PHE A 60 -1.938 -5.844 5.962 1.00 0.00 C ATOM 850 CE2 PHE A 60 -2.764 -4.555 4.126 1.00 0.00 C ATOM 851 CZ PHE A 60 -2.975 -5.488 5.122 1.00 0.00 C ATOM 0 H PHE A 60 1.015 -5.839 2.619 1.00 0.00 H new ATOM 0 HA PHE A 60 2.910 -4.167 4.092 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.224 -3.320 5.605 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.800 -2.845 3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.114 -5.546 6.467 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.357 -3.250 3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.100 -6.575 6.741 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.573 -4.275 3.467 1.00 0.00 H new ATOM 0 HZ PHE A 60 -3.949 -5.938 5.244 1.00 0.00 H new ATOM 861 N LYS A 61 3.018 -5.929 5.853 1.00 0.00 N ATOM 862 CA LYS A 61 3.212 -7.056 6.756 1.00 0.00 C ATOM 863 C LYS A 61 2.183 -7.034 7.882 1.00 0.00 C ATOM 864 O LYS A 61 1.757 -5.968 8.325 1.00 0.00 O ATOM 865 CB LYS A 61 4.625 -7.030 7.342 1.00 0.00 C ATOM 866 CG LYS A 61 4.909 -8.175 8.299 1.00 0.00 C ATOM 867 CD LYS A 61 6.401 -8.393 8.481 1.00 0.00 C ATOM 868 CE LYS A 61 7.000 -9.154 7.309 1.00 0.00 C ATOM 869 NZ LYS A 61 8.489 -9.169 7.359 1.00 0.00 N ATOM 0 H LYS A 61 3.702 -5.180 5.961 1.00 0.00 H new ATOM 0 HA LYS A 61 3.080 -7.974 6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.348 -7.062 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.775 -6.085 7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.451 -7.965 9.265 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.450 -9.089 7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.901 -7.430 8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.579 -8.945 9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.626 -10.178 7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.673 -8.698 6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.858 -9.697 6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.847 -8.193 7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.802 -9.627 8.239 1.00 0.00 H new ATOM 883 N ASN A 62 1.789 -8.217 8.342 1.00 0.00 N ATOM 884 CA ASN A 62 0.811 -8.333 9.417 1.00 0.00 C ATOM 885 C ASN A 62 1.466 -8.842 10.697 1.00 0.00 C ATOM 886 O ASN A 62 2.668 -9.107 10.728 1.00 0.00 O ATOM 887 CB ASN A 62 -0.324 -9.272 9.003 1.00 0.00 C ATOM 888 CG ASN A 62 -1.628 -8.949 9.708 1.00 0.00 C ATOM 889 OD1 ASN A 62 -1.702 -8.010 10.501 1.00 0.00 O ATOM 890 ND2 ASN A 62 -2.664 -9.729 9.422 1.00 0.00 N ATOM 0 H ASN A 62 2.132 -9.109 7.987 1.00 0.00 H new ATOM 0 HA ASN A 62 0.401 -7.341 9.610 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.471 -9.207 7.925 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.040 -10.301 9.224 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.567 -9.561 9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.557 -10.496 8.758 1.00 0.00 H new ATOM 897 N SER A 63 0.668 -8.977 11.751 1.00 0.00 N ATOM 898 CA SER A 63 1.171 -9.451 13.035 1.00 0.00 C ATOM 899 C SER A 63 1.908 -10.777 12.873 1.00 0.00 C ATOM 900 O SER A 63 3.084 -10.894 13.221 1.00 0.00 O ATOM 901 CB SER A 63 0.020 -9.613 14.029 1.00 0.00 C ATOM 902 OG SER A 63 -0.357 -8.363 14.580 1.00 0.00 O ATOM 0 H SER A 63 -0.330 -8.765 11.741 1.00 0.00 H new ATOM 0 HA SER A 63 1.872 -8.710 13.419 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.836 -10.066 13.529 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.318 -10.291 14.828 1.00 0.00 H new ATOM 0 HG SER A 63 -1.096 -8.493 15.211 1.00 0.00 H new ATOM 908 N ASP A 64 1.209 -11.775 12.343 1.00 0.00 N ATOM 909 CA ASP A 64 1.795 -13.093 12.133 1.00 0.00 C ATOM 910 C ASP A 64 3.205 -12.976 11.561 1.00 0.00 C ATOM 911 O ASP A 64 4.136 -13.620 12.042 1.00 0.00 O ATOM 912 CB ASP A 64 0.917 -13.922 11.195 1.00 0.00 C ATOM 913 CG ASP A 64 -0.376 -14.363 11.851 1.00 0.00 C ATOM 914 OD1 ASP A 64 -0.309 -15.093 12.862 1.00 0.00 O ATOM 915 OD2 ASP A 64 -1.455 -13.980 11.353 1.00 0.00 O ATOM 0 H ASP A 64 0.235 -11.696 12.051 1.00 0.00 H new ATOM 0 HA ASP A 64 1.855 -13.595 13.099 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.688 -13.337 10.305 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.472 -14.800 10.865 1.00 0.00 H new ATOM 920 N GLY A 65 3.353 -12.150 10.530 1.00 0.00 N ATOM 921 CA GLY A 65 4.651 -11.965 9.908 1.00 0.00 C ATOM 922 C GLY A 65 4.614 -12.191 8.410 1.00 0.00 C ATOM 923 O GLY A 65 5.657 -12.262 7.761 1.00 0.00 O ATOM 0 H GLY A 65 2.597 -11.606 10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.007 -10.955 10.111 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.367 -12.652 10.358 1.00 0.00 H new ATOM 927 N GLN A 66 3.409 -12.306 7.860 1.00 0.00 N ATOM 928 CA GLN A 66 3.241 -12.528 6.429 1.00 0.00 C ATOM 929 C GLN A 66 2.767 -11.257 5.732 1.00 0.00 C ATOM 930 O GLN A 66 2.127 -10.403 6.346 1.00 0.00 O ATOM 931 CB GLN A 66 2.245 -13.662 6.181 1.00 0.00 C ATOM 932 CG GLN A 66 2.489 -14.886 7.049 1.00 0.00 C ATOM 933 CD GLN A 66 1.872 -16.144 6.470 1.00 0.00 C ATOM 934 OE1 GLN A 66 0.717 -16.469 6.750 1.00 0.00 O ATOM 935 NE2 GLN A 66 2.639 -16.861 5.657 1.00 0.00 N ATOM 0 H GLN A 66 2.536 -12.249 8.384 1.00 0.00 H new ATOM 0 HA GLN A 66 4.210 -12.807 6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.235 -13.294 6.362 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.294 -13.955 5.132 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.562 -15.034 7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.079 -14.709 8.043 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.590 -16.555 5.452 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.277 -17.717 5.238 1.00 0.00 H new ATOM 944 N PHE A 67 3.084 -11.138 4.448 1.00 0.00 N ATOM 945 CA PHE A 67 2.691 -9.970 3.668 1.00 0.00 C ATOM 946 C PHE A 67 1.306 -10.165 3.058 1.00 0.00 C ATOM 947 O PHE A 67 1.024 -11.196 2.447 1.00 0.00 O ATOM 948 CB PHE A 67 3.714 -9.701 2.562 1.00 0.00 C ATOM 949 CG PHE A 67 5.035 -9.203 3.075 1.00 0.00 C ATOM 950 CD1 PHE A 67 5.197 -7.874 3.433 1.00 0.00 C ATOM 951 CD2 PHE A 67 6.113 -10.064 3.201 1.00 0.00 C ATOM 952 CE1 PHE A 67 6.412 -7.413 3.905 1.00 0.00 C ATOM 953 CE2 PHE A 67 7.330 -9.608 3.673 1.00 0.00 C ATOM 954 CZ PHE A 67 7.479 -8.282 4.026 1.00 0.00 C ATOM 0 H PHE A 67 3.612 -11.836 3.925 1.00 0.00 H new ATOM 0 HA PHE A 67 2.656 -9.111 4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.876 -10.619 1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.303 -8.968 1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.365 -7.191 3.342 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.002 -11.103 2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.527 -6.375 4.179 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.163 -10.289 3.765 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.428 -7.924 4.396 1.00 0.00 H new ATOM 964 N TYR A 68 0.446 -9.167 3.230 1.00 0.00 N ATOM 965 CA TYR A 68 -0.911 -9.228 2.700 1.00 0.00 C ATOM 966 C TYR A 68 -1.148 -8.120 1.679 1.00 0.00 C ATOM 967 O TYR A 68 -0.250 -7.331 1.383 1.00 0.00 O ATOM 968 CB TYR A 68 -1.930 -9.117 3.835 1.00 0.00 C ATOM 969 CG TYR A 68 -1.893 -10.282 4.798 1.00 0.00 C ATOM 970 CD1 TYR A 68 -0.782 -10.511 5.601 1.00 0.00 C ATOM 971 CD2 TYR A 68 -2.970 -11.153 4.906 1.00 0.00 C ATOM 972 CE1 TYR A 68 -0.744 -11.575 6.481 1.00 0.00 C ATOM 973 CE2 TYR A 68 -2.942 -12.219 5.785 1.00 0.00 C ATOM 974 CZ TYR A 68 -1.826 -12.426 6.570 1.00 0.00 C ATOM 975 OH TYR A 68 -1.793 -13.486 7.447 1.00 0.00 O ATOM 0 H TYR A 68 0.665 -8.306 3.732 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.036 -10.189 2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.748 -8.195 4.387 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.930 -9.041 3.408 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.066 -9.846 5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.844 -10.994 4.292 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.128 -11.740 7.096 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.788 -12.886 5.857 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.634 -13.986 7.387 1.00 0.00 H new ATOM 985 N TRP A 69 -2.362 -8.067 1.144 1.00 0.00 N ATOM 986 CA TRP A 69 -2.718 -7.055 0.156 1.00 0.00 C ATOM 987 C TRP A 69 -3.921 -6.240 0.620 1.00 0.00 C ATOM 988 O TRP A 69 -4.977 -6.794 0.924 1.00 0.00 O ATOM 989 CB TRP A 69 -3.022 -7.712 -1.191 1.00 0.00 C ATOM 990 CG TRP A 69 -1.798 -8.209 -1.899 1.00 0.00 C ATOM 991 CD1 TRP A 69 -1.459 -9.511 -2.134 1.00 0.00 C ATOM 992 CD2 TRP A 69 -0.750 -7.412 -2.461 1.00 0.00 C ATOM 993 NE1 TRP A 69 -0.263 -9.571 -2.809 1.00 0.00 N ATOM 994 CE2 TRP A 69 0.192 -8.297 -3.022 1.00 0.00 C ATOM 995 CE3 TRP A 69 -0.516 -6.037 -2.547 1.00 0.00 C ATOM 996 CZ2 TRP A 69 1.347 -7.849 -3.657 1.00 0.00 C ATOM 997 CZ3 TRP A 69 0.631 -5.594 -3.177 1.00 0.00 C ATOM 998 CH2 TRP A 69 1.551 -6.498 -3.726 1.00 0.00 C ATOM 0 H TRP A 69 -3.116 -8.713 1.377 1.00 0.00 H new ATOM 0 HA TRP A 69 -1.869 -6.382 0.041 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -3.706 -8.546 -1.034 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -3.536 -6.994 -1.830 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -2.044 -10.367 -1.834 1.00 0.00 H new ATOM 0 HE1 TRP A 69 0.209 -10.426 -3.103 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.220 -5.333 -2.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.057 -8.544 -4.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 0.822 -4.533 -3.248 1.00 0.00 H new ATOM 0 HH2 TRP A 69 2.438 -6.121 -4.213 1.00 0.00 H new ATOM 1009 N ASP A 70 -3.753 -4.923 0.672 1.00 0.00 N ATOM 1010 CA ASP A 70 -4.826 -4.032 1.099 1.00 0.00 C ATOM 1011 C ASP A 70 -6.052 -4.191 0.204 1.00 0.00 C ATOM 1012 O ASP A 70 -5.976 -3.996 -1.009 1.00 0.00 O ATOM 1013 CB ASP A 70 -4.350 -2.579 1.079 1.00 0.00 C ATOM 1014 CG ASP A 70 -5.112 -1.707 2.056 1.00 0.00 C ATOM 1015 OD1 ASP A 70 -6.306 -1.438 1.806 1.00 0.00 O ATOM 1016 OD2 ASP A 70 -4.515 -1.293 3.072 1.00 0.00 O ATOM 0 H ASP A 70 -2.885 -4.449 0.424 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.104 -4.301 2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.287 -2.545 1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.463 -2.176 0.072 1.00 0.00 H new ATOM 1021 N ARG A 71 -7.179 -4.547 0.811 1.00 0.00 N ATOM 1022 CA ARG A 71 -8.420 -4.733 0.069 1.00 0.00 C ATOM 1023 C ARG A 71 -9.499 -3.774 0.563 1.00 0.00 C ATOM 1024 O ARG A 71 -10.691 -4.021 0.390 1.00 0.00 O ATOM 1025 CB ARG A 71 -8.907 -6.177 0.204 1.00 0.00 C ATOM 1026 CG ARG A 71 -8.185 -7.152 -0.712 1.00 0.00 C ATOM 1027 CD ARG A 71 -8.885 -7.277 -2.056 1.00 0.00 C ATOM 1028 NE ARG A 71 -8.680 -8.591 -2.660 1.00 0.00 N ATOM 1029 CZ ARG A 71 -9.247 -8.972 -3.799 1.00 0.00 C ATOM 1030 NH1 ARG A 71 -10.048 -8.144 -4.455 1.00 0.00 N ATOM 1031 NH2 ARG A 71 -9.012 -10.184 -4.285 1.00 0.00 N ATOM 0 H ARG A 71 -7.258 -4.712 1.814 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.221 -4.519 -0.981 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.779 -6.500 1.237 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.975 -6.213 -0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.159 -6.817 -0.865 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.133 -8.131 -0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.953 -7.100 -1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.514 -6.506 -2.731 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.068 -9.252 -2.181 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.230 -7.211 -4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.482 -8.440 -5.329 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.396 -10.824 -3.784 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.448 -10.476 -5.160 1.00 0.00 H new ATOM 1045 N GLY A 72 -9.070 -2.677 1.181 1.00 0.00 N ATOM 1046 CA GLY A 72 -10.011 -1.697 1.691 1.00 0.00 C ATOM 1047 C GLY A 72 -9.900 -1.512 3.191 1.00 0.00 C ATOM 1048 O GLY A 72 -9.031 -2.103 3.832 1.00 0.00 O ATOM 0 H GLY A 72 -8.088 -2.450 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.839 -0.741 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.025 -2.007 1.440 1.00 0.00 H new ATOM 1052 N GLN A 73 -10.780 -0.689 3.752 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.775 -0.427 5.186 1.00 0.00 C ATOM 1054 C GLN A 73 -11.499 -1.534 5.945 1.00 0.00 C ATOM 1055 O GLN A 73 -12.715 -1.682 5.835 1.00 0.00 O ATOM 1056 CB GLN A 73 -11.430 0.923 5.482 1.00 0.00 C ATOM 1057 CG GLN A 73 -11.404 1.303 6.953 1.00 0.00 C ATOM 1058 CD GLN A 73 -11.501 2.800 7.172 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -10.493 3.507 7.158 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -12.718 3.291 7.375 1.00 0.00 N ATOM 0 H GLN A 73 -11.506 -0.192 3.235 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.738 -0.401 5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.923 1.697 4.906 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.465 0.898 5.140 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.230 0.811 7.466 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.483 0.933 7.404 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.525 2.668 7.378 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.845 4.291 7.528 1.00 0.00 H new ATOM 1069 N GLY A 74 -10.742 -2.311 6.714 1.00 0.00 N ATOM 1070 CA GLY A 74 -11.329 -3.395 7.479 1.00 0.00 C ATOM 1071 C GLY A 74 -11.482 -4.664 6.664 1.00 0.00 C ATOM 1072 O GLY A 74 -11.315 -5.768 7.183 1.00 0.00 O ATOM 0 H GLY A 74 -9.733 -2.209 6.821 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.707 -3.599 8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.306 -3.086 7.851 1.00 0.00 H new ATOM 1076 N ILE A 75 -11.802 -4.507 5.383 1.00 0.00 N ATOM 1077 CA ILE A 75 -11.978 -5.650 4.495 1.00 0.00 C ATOM 1078 C ILE A 75 -10.772 -6.581 4.552 1.00 0.00 C ATOM 1079 O ILE A 75 -9.629 -6.129 4.618 1.00 0.00 O ATOM 1080 CB ILE A 75 -12.199 -5.201 3.039 1.00 0.00 C ATOM 1081 CG1 ILE A 75 -13.386 -4.240 2.952 1.00 0.00 C ATOM 1082 CG2 ILE A 75 -12.422 -6.409 2.141 1.00 0.00 C ATOM 1083 CD1 ILE A 75 -14.721 -4.905 3.206 1.00 0.00 C ATOM 0 H ILE A 75 -11.944 -3.600 4.938 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.863 -6.185 4.840 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.307 -4.677 2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.246 -3.436 3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -13.400 -3.781 1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -12.577 -6.076 1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.549 -7.060 2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.300 -6.958 2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -15.517 -4.164 3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -14.883 -5.690 2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -14.726 -5.340 4.205 1.00 0.00 H new ATOM 1095 N ASN A 76 -11.034 -7.883 4.522 1.00 0.00 N ATOM 1096 CA ASN A 76 -9.970 -8.879 4.568 1.00 0.00 C ATOM 1097 C ASN A 76 -9.079 -8.780 3.334 1.00 0.00 C ATOM 1098 O ASN A 76 -9.533 -8.918 2.197 1.00 0.00 O ATOM 1099 CB ASN A 76 -10.562 -10.285 4.672 1.00 0.00 C ATOM 1100 CG ASN A 76 -11.267 -10.520 5.994 1.00 0.00 C ATOM 1101 OD1 ASN A 76 -11.712 -9.576 6.649 1.00 0.00 O ATOM 1102 ND2 ASN A 76 -11.372 -11.782 6.393 1.00 0.00 N ATOM 0 H ASN A 76 -11.975 -8.273 4.466 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.361 -8.683 5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.267 -10.441 3.855 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.767 -11.021 4.552 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.836 -12.001 7.274 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.989 -12.532 5.818 1.00 0.00 H new ATOM 1109 N PRO A 77 -7.779 -8.537 3.559 1.00 0.00 N ATOM 1110 CA PRO A 77 -6.797 -8.416 2.478 1.00 0.00 C ATOM 1111 C PRO A 77 -6.528 -9.748 1.787 1.00 0.00 C ATOM 1112 O PRO A 77 -7.278 -10.709 1.958 1.00 0.00 O ATOM 1113 CB PRO A 77 -5.538 -7.921 3.196 1.00 0.00 C ATOM 1114 CG PRO A 77 -5.693 -8.394 4.600 1.00 0.00 C ATOM 1115 CD PRO A 77 -7.169 -8.361 4.888 1.00 0.00 C ATOM 0 HA PRO A 77 -7.142 -7.751 1.687 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.636 -8.327 2.739 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.457 -6.835 3.151 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.295 -9.402 4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.146 -7.752 5.291 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.463 -9.156 5.574 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.468 -7.418 5.346 1.00 0.00 H new ATOM 1123 N ASP A 78 -5.453 -9.799 1.008 1.00 0.00 N ATOM 1124 CA ASP A 78 -5.084 -11.014 0.292 1.00 0.00 C ATOM 1125 C ASP A 78 -3.669 -11.452 0.657 1.00 0.00 C ATOM 1126 O ASP A 78 -2.714 -10.688 0.508 1.00 0.00 O ATOM 1127 CB ASP A 78 -5.190 -10.795 -1.218 1.00 0.00 C ATOM 1128 CG ASP A 78 -5.491 -12.077 -1.969 1.00 0.00 C ATOM 1129 OD1 ASP A 78 -4.684 -13.025 -1.871 1.00 0.00 O ATOM 1130 OD2 ASP A 78 -6.533 -12.132 -2.656 1.00 0.00 O ATOM 0 H ASP A 78 -4.822 -9.012 0.856 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.776 -11.803 0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.973 -10.065 -1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.256 -10.372 -1.587 1.00 0.00 H new ATOM 1135 N LEU A 79 -3.541 -12.684 1.138 1.00 0.00 N ATOM 1136 CA LEU A 79 -2.243 -13.223 1.526 1.00 0.00 C ATOM 1137 C LEU A 79 -1.345 -13.410 0.307 1.00 0.00 C ATOM 1138 O LEU A 79 -1.697 -14.123 -0.633 1.00 0.00 O ATOM 1139 CB LEU A 79 -2.419 -14.557 2.254 1.00 0.00 C ATOM 1140 CG LEU A 79 -1.186 -15.091 2.984 1.00 0.00 C ATOM 1141 CD1 LEU A 79 -0.075 -15.405 1.994 1.00 0.00 C ATOM 1142 CD2 LEU A 79 -0.708 -14.091 4.026 1.00 0.00 C ATOM 0 H LEU A 79 -4.321 -13.328 1.268 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.767 -12.510 2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.227 -14.449 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.739 -15.305 1.528 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.461 -16.014 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.795 -15.784 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.421 -16.158 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.199 -14.498 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.170 -14.488 4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.450 -13.151 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.501 -13.916 4.753 1.00 0.00 H new ATOM 1154 N LEU A 80 -0.182 -12.767 0.331 1.00 0.00 N ATOM 1155 CA LEU A 80 0.768 -12.865 -0.771 1.00 0.00 C ATOM 1156 C LEU A 80 1.223 -14.307 -0.972 1.00 0.00 C ATOM 1157 O LEU A 80 2.142 -14.777 -0.302 1.00 0.00 O ATOM 1158 CB LEU A 80 1.979 -11.968 -0.507 1.00 0.00 C ATOM 1159 CG LEU A 80 3.124 -12.071 -1.516 1.00 0.00 C ATOM 1160 CD1 LEU A 80 2.926 -11.078 -2.651 1.00 0.00 C ATOM 1161 CD2 LEU A 80 4.462 -11.839 -0.829 1.00 0.00 C ATOM 0 H LEU A 80 0.125 -12.173 1.101 1.00 0.00 H new ATOM 0 HA LEU A 80 0.268 -12.532 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.639 -10.933 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.371 -12.203 0.482 1.00 0.00 H new ATOM 0 HG LEU A 80 3.123 -13.077 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.750 -11.166 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.986 -11.290 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.900 -10.065 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.265 -11.916 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.473 -10.845 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.607 -12.589 -0.052 1.00 0.00 H new ATOM 1173 N ASN A 81 0.575 -15.002 -1.901 1.00 0.00 N ATOM 1174 CA ASN A 81 0.915 -16.390 -2.191 1.00 0.00 C ATOM 1175 C ASN A 81 1.432 -16.537 -3.619 1.00 0.00 C ATOM 1176 O ASN A 81 2.056 -17.540 -3.963 1.00 0.00 O ATOM 1177 CB ASN A 81 -0.306 -17.290 -1.984 1.00 0.00 C ATOM 1178 CG ASN A 81 -0.066 -18.709 -2.463 1.00 0.00 C ATOM 1179 OD1 ASN A 81 -0.518 -19.097 -3.540 1.00 0.00 O ATOM 1180 ND2 ASN A 81 0.648 -19.491 -1.661 1.00 0.00 N ATOM 0 H ASN A 81 -0.188 -14.627 -2.465 1.00 0.00 H new ATOM 0 HA ASN A 81 1.704 -16.695 -1.504 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.567 -17.306 -0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.159 -16.869 -2.516 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.841 -20.456 -1.929 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.003 -19.127 -0.777 1.00 0.00 H new ATOM 1187 N GLN A 82 1.167 -15.529 -4.445 1.00 0.00 N ATOM 1188 CA GLN A 82 1.606 -15.546 -5.835 1.00 0.00 C ATOM 1189 C GLN A 82 3.018 -16.110 -5.954 1.00 0.00 C ATOM 1190 O GLN A 82 3.889 -15.846 -5.125 1.00 0.00 O ATOM 1191 CB GLN A 82 1.556 -14.135 -6.425 1.00 0.00 C ATOM 1192 CG GLN A 82 2.344 -13.112 -5.622 1.00 0.00 C ATOM 1193 CD GLN A 82 1.999 -11.685 -5.999 1.00 0.00 C ATOM 1194 OE1 GLN A 82 0.827 -11.327 -6.116 1.00 0.00 O ATOM 1195 NE2 GLN A 82 3.022 -10.860 -6.190 1.00 0.00 N ATOM 0 H GLN A 82 0.651 -14.691 -4.175 1.00 0.00 H new ATOM 0 HA GLN A 82 0.929 -16.191 -6.395 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.944 -14.162 -7.443 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.517 -13.813 -6.488 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.149 -13.261 -4.560 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.410 -13.277 -5.777 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.978 -11.199 -6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.852 -9.887 -6.444 1.00 0.00 H new ATOM 1204 N PRO A 83 3.251 -16.905 -7.008 1.00 0.00 N ATOM 1205 CA PRO A 83 4.556 -17.523 -7.260 1.00 0.00 C ATOM 1206 C PRO A 83 5.611 -16.502 -7.673 1.00 0.00 C ATOM 1207 O PRO A 83 6.809 -16.734 -7.512 1.00 0.00 O ATOM 1208 CB PRO A 83 4.273 -18.494 -8.409 1.00 0.00 C ATOM 1209 CG PRO A 83 3.086 -17.923 -9.104 1.00 0.00 C ATOM 1210 CD PRO A 83 2.259 -17.263 -8.036 1.00 0.00 C ATOM 0 HA PRO A 83 4.959 -18.003 -6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 83 5.127 -18.570 -9.082 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.069 -19.498 -8.037 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.388 -17.203 -9.864 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.518 -18.703 -9.611 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.739 -16.384 -8.416 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.498 -17.937 -7.643 1.00 0.00 H new ATOM 1218 N ILE A 84 5.157 -15.372 -8.205 1.00 0.00 N ATOM 1219 CA ILE A 84 6.063 -14.316 -8.640 1.00 0.00 C ATOM 1220 C ILE A 84 6.062 -13.152 -7.654 1.00 0.00 C ATOM 1221 O ILE A 84 5.008 -12.720 -7.186 1.00 0.00 O ATOM 1222 CB ILE A 84 5.685 -13.790 -10.037 1.00 0.00 C ATOM 1223 CG1 ILE A 84 5.823 -14.902 -11.079 1.00 0.00 C ATOM 1224 CG2 ILE A 84 6.556 -12.599 -10.408 1.00 0.00 C ATOM 1225 CD1 ILE A 84 5.235 -14.545 -12.426 1.00 0.00 C ATOM 0 H ILE A 84 4.168 -15.164 -8.345 1.00 0.00 H new ATOM 0 HA ILE A 84 7.061 -14.753 -8.683 1.00 0.00 H new ATOM 0 HB ILE A 84 4.645 -13.463 -10.017 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.879 -15.142 -11.205 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.334 -15.802 -10.705 1.00 0.00 H new ATOM 0 HG21 ILE A 84 6.277 -12.238 -11.398 1.00 0.00 H new ATOM 0 HG22 ILE A 84 6.413 -11.802 -9.678 1.00 0.00 H new ATOM 0 HG23 ILE A 84 7.603 -12.902 -10.414 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.369 -15.380 -13.114 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.171 -14.334 -12.314 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.740 -13.664 -12.822 1.00 0.00 H new ATOM 1237 N THR A 85 7.252 -12.646 -7.343 1.00 0.00 N ATOM 1238 CA THR A 85 7.389 -11.532 -6.414 1.00 0.00 C ATOM 1239 C THR A 85 8.419 -10.524 -6.912 1.00 0.00 C ATOM 1240 O THR A 85 9.269 -10.850 -7.741 1.00 0.00 O ATOM 1241 CB THR A 85 7.801 -12.018 -5.011 1.00 0.00 C ATOM 1242 OG1 THR A 85 8.931 -12.892 -5.107 1.00 0.00 O ATOM 1243 CG2 THR A 85 6.649 -12.742 -4.330 1.00 0.00 C ATOM 0 H THR A 85 8.134 -12.991 -7.721 1.00 0.00 H new ATOM 0 HA THR A 85 6.413 -11.050 -6.352 1.00 0.00 H new ATOM 0 HB THR A 85 8.067 -11.147 -4.412 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.089 -13.319 -4.239 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.963 -13.076 -3.341 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.801 -12.065 -4.232 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.357 -13.605 -4.929 1.00 0.00 H new ATOM 1251 N TYR A 86 8.337 -9.301 -6.402 1.00 0.00 N ATOM 1252 CA TYR A 86 9.262 -8.245 -6.797 1.00 0.00 C ATOM 1253 C TYR A 86 10.093 -7.775 -5.607 1.00 0.00 C ATOM 1254 O TYR A 86 10.470 -6.606 -5.522 1.00 0.00 O ATOM 1255 CB TYR A 86 8.495 -7.064 -7.395 1.00 0.00 C ATOM 1256 CG TYR A 86 7.510 -7.464 -8.470 1.00 0.00 C ATOM 1257 CD1 TYR A 86 7.943 -8.060 -9.649 1.00 0.00 C ATOM 1258 CD2 TYR A 86 6.148 -7.246 -8.309 1.00 0.00 C ATOM 1259 CE1 TYR A 86 7.047 -8.426 -10.635 1.00 0.00 C ATOM 1260 CE2 TYR A 86 5.245 -7.611 -9.288 1.00 0.00 C ATOM 1261 CZ TYR A 86 5.699 -8.201 -10.449 1.00 0.00 C ATOM 1262 OH TYR A 86 4.803 -8.564 -11.428 1.00 0.00 O ATOM 0 H TYR A 86 7.640 -9.016 -5.714 1.00 0.00 H new ATOM 0 HA TYR A 86 9.937 -8.651 -7.551 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.960 -6.548 -6.598 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.208 -6.353 -7.813 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.998 -8.240 -9.797 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.789 -6.783 -7.402 1.00 0.00 H new ATOM 0 HE1 TYR A 86 7.400 -8.886 -11.546 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.189 -7.435 -9.145 1.00 0.00 H new ATOM 0 HH TYR A 86 3.896 -8.562 -11.058 1.00 0.00 H new ATOM 1272 N TRP A 87 10.375 -8.695 -4.691 1.00 0.00 N ATOM 1273 CA TRP A 87 11.162 -8.376 -3.506 1.00 0.00 C ATOM 1274 C TRP A 87 12.555 -7.888 -3.891 1.00 0.00 C ATOM 1275 O TRP A 87 13.224 -8.493 -4.728 1.00 0.00 O ATOM 1276 CB TRP A 87 11.272 -9.601 -2.597 1.00 0.00 C ATOM 1277 CG TRP A 87 9.965 -10.006 -1.985 1.00 0.00 C ATOM 1278 CD1 TRP A 87 9.268 -11.155 -2.227 1.00 0.00 C ATOM 1279 CD2 TRP A 87 9.197 -9.262 -1.032 1.00 0.00 C ATOM 1280 NE1 TRP A 87 8.113 -11.171 -1.482 1.00 0.00 N ATOM 1281 CE2 TRP A 87 8.047 -10.021 -0.740 1.00 0.00 C ATOM 1282 CE3 TRP A 87 9.371 -8.031 -0.396 1.00 0.00 C ATOM 1283 CZ2 TRP A 87 7.077 -9.586 0.159 1.00 0.00 C ATOM 1284 CZ3 TRP A 87 8.407 -7.600 0.496 1.00 0.00 C ATOM 1285 CH2 TRP A 87 7.273 -8.377 0.768 1.00 0.00 C ATOM 0 H TRP A 87 10.070 -9.667 -4.746 1.00 0.00 H new ATOM 0 HA TRP A 87 10.653 -7.576 -2.968 1.00 0.00 H new ATOM 0 HB2 TRP A 87 11.670 -10.437 -3.172 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.988 -9.392 -1.802 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.579 -11.937 -2.904 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.418 -11.918 -1.482 1.00 0.00 H new ATOM 0 HE3 TRP A 87 10.243 -7.427 -0.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.201 -10.182 0.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 8.530 -6.648 0.992 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.539 -8.014 1.472 1.00 0.00 H new ATOM 1296 N ALA A 88 12.984 -6.791 -3.277 1.00 0.00 N ATOM 1297 CA ALA A 88 14.297 -6.224 -3.555 1.00 0.00 C ATOM 1298 C ALA A 88 15.409 -7.161 -3.095 1.00 0.00 C ATOM 1299 O ALA A 88 15.147 -8.193 -2.479 1.00 0.00 O ATOM 1300 CB ALA A 88 14.438 -4.865 -2.884 1.00 0.00 C ATOM 0 H ALA A 88 12.441 -6.277 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 88 14.389 -6.096 -4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 88 15.424 -4.453 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.671 -4.190 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.320 -4.977 -1.806 1.00 0.00 H new ATOM 1306 N ASN A 89 16.649 -6.794 -3.399 1.00 0.00 N ATOM 1307 CA ASN A 89 17.801 -7.603 -3.017 1.00 0.00 C ATOM 1308 C ASN A 89 17.705 -8.031 -1.556 1.00 0.00 C ATOM 1309 O ASN A 89 17.742 -7.199 -0.651 1.00 0.00 O ATOM 1310 CB ASN A 89 19.097 -6.824 -3.248 1.00 0.00 C ATOM 1311 CG ASN A 89 20.263 -7.731 -3.591 1.00 0.00 C ATOM 1312 OD1 ASN A 89 21.281 -7.742 -2.898 1.00 0.00 O ATOM 1313 ND2 ASN A 89 20.120 -8.497 -4.667 1.00 0.00 N ATOM 0 H ASN A 89 16.882 -5.942 -3.909 1.00 0.00 H new ATOM 0 HA ASN A 89 17.807 -8.498 -3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.948 -6.107 -4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.337 -6.250 -2.353 1.00 0.00 H new ATOM 0 HD21 ASN A 89 20.871 -9.127 -4.948 1.00 0.00 H new ATOM 0 HD22 ASN A 89 19.259 -8.455 -5.212 1.00 0.00 H new ATOM 1320 N GLY A 90 17.581 -9.336 -1.333 1.00 0.00 N ATOM 1321 CA GLY A 90 17.482 -9.852 0.019 1.00 0.00 C ATOM 1322 C GLY A 90 16.059 -9.844 0.541 1.00 0.00 C ATOM 1323 O GLY A 90 15.676 -10.706 1.330 1.00 0.00 O ATOM 0 H GLY A 90 17.547 -10.045 -2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.869 -10.871 0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.111 -9.255 0.679 1.00 0.00 H new ATOM 1327 N GLU A 91 15.275 -8.865 0.099 1.00 0.00 N ATOM 1328 CA GLU A 91 13.886 -8.747 0.529 1.00 0.00 C ATOM 1329 C GLU A 91 13.103 -10.013 0.192 1.00 0.00 C ATOM 1330 O GLU A 91 13.437 -10.752 -0.734 1.00 0.00 O ATOM 1331 CB GLU A 91 13.226 -7.535 -0.131 1.00 0.00 C ATOM 1332 CG GLU A 91 13.726 -6.203 0.404 1.00 0.00 C ATOM 1333 CD GLU A 91 15.232 -6.062 0.300 1.00 0.00 C ATOM 1334 OE1 GLU A 91 15.941 -6.622 1.163 1.00 0.00 O ATOM 1335 OE2 GLU A 91 15.702 -5.391 -0.643 1.00 0.00 O ATOM 0 H GLU A 91 15.577 -8.143 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 91 13.877 -8.612 1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.404 -7.575 -1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.148 -7.594 0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.250 -5.392 -0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.426 -6.099 1.447 1.00 0.00 H new ATOM 1342 N PRO A 92 12.035 -10.269 0.961 1.00 0.00 N ATOM 1343 CA PRO A 92 11.627 -9.397 2.067 1.00 0.00 C ATOM 1344 C PRO A 92 12.604 -9.448 3.236 1.00 0.00 C ATOM 1345 O PRO A 92 13.201 -10.488 3.514 1.00 0.00 O ATOM 1346 CB PRO A 92 10.267 -9.962 2.482 1.00 0.00 C ATOM 1347 CG PRO A 92 10.305 -11.390 2.060 1.00 0.00 C ATOM 1348 CD PRO A 92 11.143 -11.431 0.812 1.00 0.00 C ATOM 0 HA PRO A 92 11.595 -8.349 1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.112 -9.871 3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.451 -9.427 1.996 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.737 -12.016 2.841 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.300 -11.767 1.868 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.705 -12.362 0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.530 -11.354 -0.086 1.00 0.00 H new ATOM 1356 N SER A 93 12.763 -8.318 3.919 1.00 0.00 N ATOM 1357 CA SER A 93 13.671 -8.234 5.057 1.00 0.00 C ATOM 1358 C SER A 93 13.012 -8.781 6.319 1.00 0.00 C ATOM 1359 O SER A 93 11.794 -8.944 6.375 1.00 0.00 O ATOM 1360 CB SER A 93 14.106 -6.785 5.282 1.00 0.00 C ATOM 1361 OG SER A 93 15.402 -6.724 5.853 1.00 0.00 O ATOM 0 H SER A 93 12.275 -7.449 3.704 1.00 0.00 H new ATOM 0 HA SER A 93 14.550 -8.840 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.098 -6.248 4.333 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.393 -6.285 5.937 1.00 0.00 H new ATOM 0 HG SER A 93 15.396 -6.103 6.611 1.00 0.00 H new ATOM 1367 N ASN A 94 13.827 -9.063 7.330 1.00 0.00 N ATOM 1368 CA ASN A 94 13.325 -9.593 8.592 1.00 0.00 C ATOM 1369 C ASN A 94 13.540 -8.595 9.726 1.00 0.00 C ATOM 1370 O ASN A 94 13.942 -8.968 10.828 1.00 0.00 O ATOM 1371 CB ASN A 94 14.016 -10.917 8.925 1.00 0.00 C ATOM 1372 CG ASN A 94 13.462 -12.077 8.121 1.00 0.00 C ATOM 1373 OD1 ASN A 94 13.123 -11.927 6.947 1.00 0.00 O ATOM 1374 ND2 ASN A 94 13.367 -13.242 8.751 1.00 0.00 N ATOM 0 H ASN A 94 14.838 -8.933 7.300 1.00 0.00 H new ATOM 0 HA ASN A 94 12.255 -9.767 8.483 1.00 0.00 H new ATOM 0 HB2 ASN A 94 15.085 -10.824 8.734 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.900 -11.127 9.988 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.001 -14.058 8.261 1.00 0.00 H new ATOM 0 HD22 ASN A 94 13.660 -13.321 9.725 1.00 0.00 H new ATOM 1381 N ASP A 95 13.270 -7.324 9.447 1.00 0.00 N ATOM 1382 CA ASP A 95 13.433 -6.271 10.443 1.00 0.00 C ATOM 1383 C ASP A 95 12.152 -6.084 11.249 1.00 0.00 C ATOM 1384 O ASP A 95 11.046 -6.064 10.708 1.00 0.00 O ATOM 1385 CB ASP A 95 13.822 -4.956 9.767 1.00 0.00 C ATOM 1386 CG ASP A 95 15.286 -4.918 9.374 1.00 0.00 C ATOM 1387 OD1 ASP A 95 16.143 -4.904 10.282 1.00 0.00 O ATOM 1388 OD2 ASP A 95 15.574 -4.901 8.159 1.00 0.00 O ATOM 0 H ASP A 95 12.937 -6.998 8.539 1.00 0.00 H new ATOM 0 HA ASP A 95 14.230 -6.569 11.125 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.207 -4.811 8.879 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.608 -4.127 10.442 1.00 0.00 H new ATOM 1393 N PRO A 96 12.302 -5.943 12.575 1.00 0.00 N ATOM 1394 CA PRO A 96 11.167 -5.755 13.484 1.00 0.00 C ATOM 1395 C PRO A 96 10.509 -4.390 13.315 1.00 0.00 C ATOM 1396 O PRO A 96 9.290 -4.258 13.434 1.00 0.00 O ATOM 1397 CB PRO A 96 11.802 -5.875 14.872 1.00 0.00 C ATOM 1398 CG PRO A 96 13.228 -5.492 14.671 1.00 0.00 C ATOM 1399 CD PRO A 96 13.590 -5.957 13.288 1.00 0.00 C ATOM 0 HA PRO A 96 10.372 -6.478 13.300 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.313 -5.216 15.589 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.716 -6.890 15.260 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.360 -4.414 14.768 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.867 -5.960 15.420 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.316 -5.294 12.818 1.00 0.00 H new ATOM 0 HD3 PRO A 96 14.031 -6.954 13.302 1.00 0.00 H new ATOM 1407 N THR A 97 11.323 -3.376 13.037 1.00 0.00 N ATOM 1408 CA THR A 97 10.819 -2.021 12.852 1.00 0.00 C ATOM 1409 C THR A 97 10.134 -1.869 11.499 1.00 0.00 C ATOM 1410 O THR A 97 9.110 -1.196 11.383 1.00 0.00 O ATOM 1411 CB THR A 97 11.951 -0.982 12.962 1.00 0.00 C ATOM 1412 OG1 THR A 97 13.067 -1.386 12.162 1.00 0.00 O ATOM 1413 CG2 THR A 97 12.391 -0.812 14.408 1.00 0.00 C ATOM 0 H THR A 97 12.334 -3.468 12.935 1.00 0.00 H new ATOM 0 HA THR A 97 10.093 -1.842 13.645 1.00 0.00 H new ATOM 0 HB THR A 97 11.573 -0.026 12.600 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.781 -0.719 12.236 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.191 -0.074 14.460 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.546 -0.475 15.008 1.00 0.00 H new ATOM 0 HG23 THR A 97 12.752 -1.766 14.793 1.00 0.00 H new ATOM 1421 N ARG A 98 10.707 -2.497 10.477 1.00 0.00 N ATOM 1422 CA ARG A 98 10.151 -2.430 9.131 1.00 0.00 C ATOM 1423 C ARG A 98 9.087 -3.505 8.928 1.00 0.00 C ATOM 1424 O ARG A 98 9.381 -4.699 8.981 1.00 0.00 O ATOM 1425 CB ARG A 98 11.260 -2.592 8.090 1.00 0.00 C ATOM 1426 CG ARG A 98 12.407 -1.611 8.264 1.00 0.00 C ATOM 1427 CD ARG A 98 13.650 -2.067 7.516 1.00 0.00 C ATOM 1428 NE ARG A 98 13.671 -1.578 6.140 1.00 0.00 N ATOM 1429 CZ ARG A 98 14.746 -1.622 5.361 1.00 0.00 C ATOM 1430 NH1 ARG A 98 15.881 -2.132 5.820 1.00 0.00 N ATOM 1431 NH2 ARG A 98 14.686 -1.157 4.120 1.00 0.00 N ATOM 0 H ARG A 98 11.556 -3.058 10.556 1.00 0.00 H new ATOM 0 HA ARG A 98 9.684 -1.453 9.006 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.651 -3.608 8.143 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.834 -2.466 7.095 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.104 -0.628 7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.638 -1.504 9.324 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.538 -1.714 8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.693 -3.156 7.514 1.00 0.00 H new ATOM 0 HE ARG A 98 12.813 -1.181 5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.930 -2.492 6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.705 -2.165 5.220 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.814 -0.765 3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.512 -1.191 3.522 1.00 0.00 H new ATOM 1445 N GLN A 99 7.852 -3.072 8.696 1.00 0.00 N ATOM 1446 CA GLN A 99 6.745 -3.998 8.486 1.00 0.00 C ATOM 1447 C GLN A 99 6.010 -3.683 7.188 1.00 0.00 C ATOM 1448 O GLN A 99 5.567 -4.586 6.477 1.00 0.00 O ATOM 1449 CB GLN A 99 5.772 -3.938 9.665 1.00 0.00 C ATOM 1450 CG GLN A 99 6.459 -3.921 11.021 1.00 0.00 C ATOM 1451 CD GLN A 99 5.617 -4.556 12.110 1.00 0.00 C ATOM 1452 OE1 GLN A 99 6.017 -5.547 12.722 1.00 0.00 O ATOM 1453 NE2 GLN A 99 4.443 -3.987 12.358 1.00 0.00 N ATOM 0 H GLN A 99 7.593 -2.087 8.649 1.00 0.00 H new ATOM 0 HA GLN A 99 7.156 -5.005 8.414 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.153 -3.046 9.569 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.103 -4.797 9.617 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.410 -4.448 10.949 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.686 -2.891 11.296 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.151 -3.167 11.826 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.833 -4.370 13.080 1.00 0.00 H new ATOM 1462 N CYS A 100 5.883 -2.395 6.883 1.00 0.00 N ATOM 1463 CA CYS A 100 5.201 -1.960 5.671 1.00 0.00 C ATOM 1464 C CYS A 100 6.139 -2.015 4.469 1.00 0.00 C ATOM 1465 O CYS A 100 7.353 -2.154 4.621 1.00 0.00 O ATOM 1466 CB CYS A 100 4.662 -0.538 5.847 1.00 0.00 C ATOM 1467 SG CYS A 100 3.348 -0.390 7.099 1.00 0.00 S ATOM 0 H CYS A 100 6.244 -1.635 7.459 1.00 0.00 H new ATOM 0 HA CYS A 100 4.367 -2.638 5.490 1.00 0.00 H new ATOM 0 HB2 CYS A 100 5.486 0.120 6.122 1.00 0.00 H new ATOM 0 HB3 CYS A 100 4.278 -0.185 4.890 1.00 0.00 H new ATOM 1472 N VAL A 101 5.568 -1.905 3.274 1.00 0.00 N ATOM 1473 CA VAL A 101 6.352 -1.941 2.045 1.00 0.00 C ATOM 1474 C VAL A 101 5.899 -0.859 1.072 1.00 0.00 C ATOM 1475 O VAL A 101 4.713 -0.534 0.996 1.00 0.00 O ATOM 1476 CB VAL A 101 6.249 -3.313 1.354 1.00 0.00 C ATOM 1477 CG1 VAL A 101 7.147 -3.362 0.127 1.00 0.00 C ATOM 1478 CG2 VAL A 101 6.602 -4.428 2.327 1.00 0.00 C ATOM 0 H VAL A 101 4.565 -1.790 3.131 1.00 0.00 H new ATOM 0 HA VAL A 101 7.390 -1.761 2.326 1.00 0.00 H new ATOM 0 HB VAL A 101 5.219 -3.459 1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.061 -4.339 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.843 -2.588 -0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 101 8.182 -3.194 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.524 -5.390 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.622 -4.288 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.914 -4.405 3.172 1.00 0.00 H new ATOM 1488 N TYR A 102 6.850 -0.303 0.329 1.00 0.00 N ATOM 1489 CA TYR A 102 6.549 0.745 -0.639 1.00 0.00 C ATOM 1490 C TYR A 102 7.258 0.482 -1.964 1.00 0.00 C ATOM 1491 O TYR A 102 8.391 0.001 -1.991 1.00 0.00 O ATOM 1492 CB TYR A 102 6.963 2.111 -0.088 1.00 0.00 C ATOM 1493 CG TYR A 102 8.445 2.386 -0.201 1.00 0.00 C ATOM 1494 CD1 TYR A 102 9.027 2.672 -1.430 1.00 0.00 C ATOM 1495 CD2 TYR A 102 9.265 2.358 0.920 1.00 0.00 C ATOM 1496 CE1 TYR A 102 10.381 2.923 -1.539 1.00 0.00 C ATOM 1497 CE2 TYR A 102 10.620 2.609 0.821 1.00 0.00 C ATOM 1498 CZ TYR A 102 11.173 2.891 -0.410 1.00 0.00 C ATOM 1499 OH TYR A 102 12.522 3.140 -0.513 1.00 0.00 O ATOM 0 H TYR A 102 7.836 -0.561 0.379 1.00 0.00 H new ATOM 0 HA TYR A 102 5.474 0.743 -0.817 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.416 2.889 -0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.669 2.175 0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.410 2.699 -2.316 1.00 0.00 H new ATOM 0 HD2 TYR A 102 8.836 2.136 1.886 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.817 3.143 -2.502 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.243 2.584 1.703 1.00 0.00 H new ATOM 0 HH TYR A 102 12.934 3.080 0.374 1.00 0.00 H new ATOM 1509 N PHE A 103 6.583 0.803 -3.062 1.00 0.00 N ATOM 1510 CA PHE A 103 7.146 0.603 -4.392 1.00 0.00 C ATOM 1511 C PHE A 103 8.327 1.539 -4.629 1.00 0.00 C ATOM 1512 O PHE A 103 8.178 2.761 -4.610 1.00 0.00 O ATOM 1513 CB PHE A 103 6.076 0.831 -5.462 1.00 0.00 C ATOM 1514 CG PHE A 103 6.488 0.367 -6.830 1.00 0.00 C ATOM 1515 CD1 PHE A 103 7.505 1.009 -7.518 1.00 0.00 C ATOM 1516 CD2 PHE A 103 5.857 -0.712 -7.428 1.00 0.00 C ATOM 1517 CE1 PHE A 103 7.886 0.583 -8.776 1.00 0.00 C ATOM 1518 CE2 PHE A 103 6.234 -1.142 -8.686 1.00 0.00 C ATOM 1519 CZ PHE A 103 7.249 -0.493 -9.362 1.00 0.00 C ATOM 0 H PHE A 103 5.645 1.203 -3.057 1.00 0.00 H new ATOM 0 HA PHE A 103 7.502 -0.425 -4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.164 0.310 -5.170 1.00 0.00 H new ATOM 0 HB3 PHE A 103 5.836 1.893 -5.504 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.006 1.852 -7.066 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.062 -1.223 -6.905 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.682 1.091 -9.301 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.735 -1.985 -9.141 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.544 -0.826 -10.346 1.00 0.00 H new ATOM 1529 N ASP A 104 9.500 0.957 -4.853 1.00 0.00 N ATOM 1530 CA ASP A 104 10.708 1.738 -5.095 1.00 0.00 C ATOM 1531 C ASP A 104 10.846 2.082 -6.574 1.00 0.00 C ATOM 1532 O ASP A 104 11.521 1.379 -7.325 1.00 0.00 O ATOM 1533 CB ASP A 104 11.942 0.969 -4.620 1.00 0.00 C ATOM 1534 CG ASP A 104 13.152 1.865 -4.449 1.00 0.00 C ATOM 1535 OD1 ASP A 104 13.217 2.911 -5.128 1.00 0.00 O ATOM 1536 OD2 ASP A 104 14.035 1.521 -3.635 1.00 0.00 O ATOM 0 H ASP A 104 9.640 -0.053 -4.872 1.00 0.00 H new ATOM 0 HA ASP A 104 10.629 2.667 -4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.719 0.480 -3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.175 0.182 -5.338 1.00 0.00 H new ATOM 1541 N GLY A 105 10.198 3.167 -6.987 1.00 0.00 N ATOM 1542 CA GLY A 105 10.261 3.585 -8.376 1.00 0.00 C ATOM 1543 C GLY A 105 11.677 3.875 -8.831 1.00 0.00 C ATOM 1544 O GLY A 105 12.046 3.571 -9.966 1.00 0.00 O ATOM 0 H GLY A 105 9.631 3.764 -6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.833 2.806 -9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.649 4.477 -8.512 1.00 0.00 H new ATOM 1602 N LYS A 110 12.785 -3.377 -11.910 1.00 0.00 N ATOM 1603 CA LYS A 110 11.346 -3.397 -11.671 1.00 0.00 C ATOM 1604 C LYS A 110 10.959 -4.575 -10.781 1.00 0.00 C ATOM 1605 O LYS A 110 9.873 -4.597 -10.203 1.00 0.00 O ATOM 1606 CB LYS A 110 10.589 -3.477 -12.998 1.00 0.00 C ATOM 1607 CG LYS A 110 10.979 -4.672 -13.851 1.00 0.00 C ATOM 1608 CD LYS A 110 9.846 -5.094 -14.771 1.00 0.00 C ATOM 1609 CE LYS A 110 8.877 -6.032 -14.068 1.00 0.00 C ATOM 1610 NZ LYS A 110 8.001 -6.750 -15.034 1.00 0.00 N ATOM 0 HA LYS A 110 11.075 -2.473 -11.160 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.519 -3.521 -12.794 1.00 0.00 H new ATOM 0 HB3 LYS A 110 10.768 -2.563 -13.564 1.00 0.00 H new ATOM 0 HG2 LYS A 110 11.858 -4.424 -14.445 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.255 -5.506 -13.206 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.311 -4.211 -15.120 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.256 -5.587 -15.653 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.437 -6.757 -13.478 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.260 -5.463 -13.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.141 -7.074 -14.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.739 -6.108 -15.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.510 -7.570 -15.421 1.00 0.00 H new ATOM 1624 N SER A 111 11.856 -5.550 -10.676 1.00 0.00 N ATOM 1625 CA SER A 111 11.607 -6.732 -9.858 1.00 0.00 C ATOM 1626 C SER A 111 12.108 -6.522 -8.432 1.00 0.00 C ATOM 1627 O SER A 111 11.757 -7.271 -7.521 1.00 0.00 O ATOM 1628 CB SER A 111 12.286 -7.957 -10.474 1.00 0.00 C ATOM 1629 OG SER A 111 12.262 -9.057 -9.581 1.00 0.00 O ATOM 0 H SER A 111 12.761 -5.545 -11.146 1.00 0.00 H new ATOM 0 HA SER A 111 10.531 -6.900 -9.825 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.783 -8.227 -11.402 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.318 -7.715 -10.730 1.00 0.00 H new ATOM 0 HG SER A 111 12.121 -8.733 -8.667 1.00 0.00 H new ATOM 1635 N LYS A 112 12.932 -5.496 -8.247 1.00 0.00 N ATOM 1636 CA LYS A 112 13.482 -5.183 -6.933 1.00 0.00 C ATOM 1637 C LYS A 112 12.936 -3.856 -6.416 1.00 0.00 C ATOM 1638 O LYS A 112 13.600 -3.156 -5.652 1.00 0.00 O ATOM 1639 CB LYS A 112 15.010 -5.128 -6.997 1.00 0.00 C ATOM 1640 CG LYS A 112 15.652 -6.458 -7.353 1.00 0.00 C ATOM 1641 CD LYS A 112 17.118 -6.494 -6.953 1.00 0.00 C ATOM 1642 CE LYS A 112 17.871 -7.588 -7.693 1.00 0.00 C ATOM 1643 NZ LYS A 112 19.316 -7.262 -7.845 1.00 0.00 N ATOM 0 H LYS A 112 13.234 -4.867 -8.991 1.00 0.00 H new ATOM 0 HA LYS A 112 13.181 -5.972 -6.244 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.308 -4.382 -7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.394 -4.795 -6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.118 -7.266 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.562 -6.631 -8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.577 -5.528 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 112 17.199 -6.658 -5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 112 17.766 -8.529 -7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 112 17.426 -7.733 -8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 19.794 -8.032 -8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 19.418 -6.377 -8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 19.747 -7.149 -6.905 1.00 0.00 H new ATOM 1657 N VAL A 113 11.721 -3.517 -6.836 1.00 0.00 N ATOM 1658 CA VAL A 113 11.085 -2.276 -6.413 1.00 0.00 C ATOM 1659 C VAL A 113 10.572 -2.381 -4.982 1.00 0.00 C ATOM 1660 O VAL A 113 10.603 -1.408 -4.228 1.00 0.00 O ATOM 1661 CB VAL A 113 9.913 -1.901 -7.340 1.00 0.00 C ATOM 1662 CG1 VAL A 113 10.431 -1.414 -8.685 1.00 0.00 C ATOM 1663 CG2 VAL A 113 8.975 -3.086 -7.518 1.00 0.00 C ATOM 0 H VAL A 113 11.158 -4.085 -7.469 1.00 0.00 H new ATOM 0 HA VAL A 113 11.845 -1.497 -6.467 1.00 0.00 H new ATOM 0 HB VAL A 113 9.352 -1.089 -6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.589 -1.154 -9.327 1.00 0.00 H new ATOM 0 HG12 VAL A 113 11.059 -0.536 -8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.016 -2.203 -9.157 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.153 -2.804 -8.176 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.522 -3.920 -7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 113 8.578 -3.384 -6.548 1.00 0.00 H new ATOM 1673 N TRP A 114 10.101 -3.567 -4.613 1.00 0.00 N ATOM 1674 CA TRP A 114 9.582 -3.799 -3.271 1.00 0.00 C ATOM 1675 C TRP A 114 10.667 -3.583 -2.222 1.00 0.00 C ATOM 1676 O TRP A 114 11.773 -4.114 -2.339 1.00 0.00 O ATOM 1677 CB TRP A 114 9.021 -5.218 -3.157 1.00 0.00 C ATOM 1678 CG TRP A 114 7.722 -5.403 -3.882 1.00 0.00 C ATOM 1679 CD1 TRP A 114 7.117 -4.510 -4.720 1.00 0.00 C ATOM 1680 CD2 TRP A 114 6.867 -6.550 -3.830 1.00 0.00 C ATOM 1681 NE1 TRP A 114 5.938 -5.034 -5.193 1.00 0.00 N ATOM 1682 CE2 TRP A 114 5.762 -6.285 -4.662 1.00 0.00 C ATOM 1683 CE3 TRP A 114 6.929 -7.777 -3.163 1.00 0.00 C ATOM 1684 CZ2 TRP A 114 4.730 -7.201 -4.842 1.00 0.00 C ATOM 1685 CZ3 TRP A 114 5.903 -8.685 -3.343 1.00 0.00 C ATOM 1686 CH2 TRP A 114 4.816 -8.394 -4.177 1.00 0.00 C ATOM 0 H TRP A 114 10.068 -4.383 -5.225 1.00 0.00 H new ATOM 0 HA TRP A 114 8.780 -3.083 -3.090 1.00 0.00 H new ATOM 0 HB2 TRP A 114 9.753 -5.923 -3.551 1.00 0.00 H new ATOM 0 HB3 TRP A 114 8.879 -5.461 -2.104 1.00 0.00 H new ATOM 0 HD1 TRP A 114 7.508 -3.536 -4.974 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.298 -4.567 -5.835 1.00 0.00 H new ATOM 0 HE3 TRP A 114 7.764 -8.011 -2.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 3.891 -6.978 -5.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.940 -9.636 -2.832 1.00 0.00 H new ATOM 0 HH2 TRP A 114 4.030 -9.125 -4.298 1.00 0.00 H new ATOM 1697 N THR A 115 10.346 -2.801 -1.196 1.00 0.00 N ATOM 1698 CA THR A 115 11.294 -2.515 -0.127 1.00 0.00 C ATOM 1699 C THR A 115 10.575 -2.270 1.195 1.00 0.00 C ATOM 1700 O THR A 115 9.714 -1.396 1.293 1.00 0.00 O ATOM 1701 CB THR A 115 12.163 -1.287 -0.461 1.00 0.00 C ATOM 1702 OG1 THR A 115 12.910 -1.527 -1.658 1.00 0.00 O ATOM 1703 CG2 THR A 115 13.115 -0.972 0.683 1.00 0.00 C ATOM 0 H THR A 115 9.436 -2.354 -1.083 1.00 0.00 H new ATOM 0 HA THR A 115 11.936 -3.391 -0.031 1.00 0.00 H new ATOM 0 HB THR A 115 11.504 -0.432 -0.610 1.00 0.00 H new ATOM 0 HG1 THR A 115 13.458 -0.741 -1.864 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.718 -0.102 0.425 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.542 -0.762 1.586 1.00 0.00 H new ATOM 0 HG23 THR A 115 13.768 -1.827 0.859 1.00 0.00 H new ATOM 1711 N THR A 116 10.934 -3.048 2.212 1.00 0.00 N ATOM 1712 CA THR A 116 10.323 -2.916 3.528 1.00 0.00 C ATOM 1713 C THR A 116 10.791 -1.644 4.226 1.00 0.00 C ATOM 1714 O THR A 116 11.960 -1.268 4.133 1.00 0.00 O ATOM 1715 CB THR A 116 10.647 -4.128 4.422 1.00 0.00 C ATOM 1716 OG1 THR A 116 12.064 -4.326 4.485 1.00 0.00 O ATOM 1717 CG2 THR A 116 9.978 -5.386 3.891 1.00 0.00 C ATOM 0 H THR A 116 11.645 -3.776 2.149 1.00 0.00 H new ATOM 0 HA THR A 116 9.245 -2.867 3.373 1.00 0.00 H new ATOM 0 HB THR A 116 10.264 -3.926 5.422 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.341 -4.411 5.421 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.221 -6.228 4.538 1.00 0.00 H new ATOM 0 HG22 THR A 116 8.898 -5.243 3.872 1.00 0.00 H new ATOM 0 HG23 THR A 116 10.335 -5.589 2.881 1.00 0.00 H new ATOM 1725 N ASP A 117 9.873 -0.988 4.926 1.00 0.00 N ATOM 1726 CA ASP A 117 10.192 0.242 5.643 1.00 0.00 C ATOM 1727 C ASP A 117 9.188 0.495 6.763 1.00 0.00 C ATOM 1728 O ASP A 117 8.103 -0.087 6.782 1.00 0.00 O ATOM 1729 CB ASP A 117 10.209 1.429 4.679 1.00 0.00 C ATOM 1730 CG ASP A 117 11.579 1.662 4.071 1.00 0.00 C ATOM 1731 OD1 ASP A 117 11.914 0.977 3.082 1.00 0.00 O ATOM 1732 OD2 ASP A 117 12.315 2.531 4.584 1.00 0.00 O ATOM 0 H ASP A 117 8.902 -1.287 5.013 1.00 0.00 H new ATOM 0 HA ASP A 117 11.182 0.129 6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.486 1.256 3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.892 2.328 5.208 1.00 0.00 H new ATOM 1737 N THR A 118 9.558 1.366 7.697 1.00 0.00 N ATOM 1738 CA THR A 118 8.691 1.694 8.821 1.00 0.00 C ATOM 1739 C THR A 118 7.377 2.303 8.344 1.00 0.00 C ATOM 1740 O THR A 118 7.334 2.990 7.324 1.00 0.00 O ATOM 1741 CB THR A 118 9.376 2.676 9.791 1.00 0.00 C ATOM 1742 OG1 THR A 118 8.559 2.871 10.950 1.00 0.00 O ATOM 1743 CG2 THR A 118 9.632 4.014 9.114 1.00 0.00 C ATOM 0 H THR A 118 10.452 1.857 7.697 1.00 0.00 H new ATOM 0 HA THR A 118 8.486 0.760 9.344 1.00 0.00 H new ATOM 0 HB THR A 118 10.333 2.248 10.090 1.00 0.00 H new ATOM 0 HG1 THR A 118 9.003 3.495 11.562 1.00 0.00 H new ATOM 0 HG21 THR A 118 10.116 4.691 9.818 1.00 0.00 H new ATOM 0 HG22 THR A 118 10.279 3.866 8.249 1.00 0.00 H new ATOM 0 HG23 THR A 118 8.685 4.445 8.789 1.00 0.00 H new ATOM 1751 N CYS A 119 6.307 2.046 9.089 1.00 0.00 N ATOM 1752 CA CYS A 119 4.991 2.569 8.742 1.00 0.00 C ATOM 1753 C CYS A 119 4.788 3.964 9.326 1.00 0.00 C ATOM 1754 O CYS A 119 3.665 4.365 9.626 1.00 0.00 O ATOM 1755 CB CYS A 119 3.896 1.628 9.250 1.00 0.00 C ATOM 1756 SG CYS A 119 4.199 -0.131 8.885 1.00 0.00 S ATOM 0 H CYS A 119 6.326 1.479 9.937 1.00 0.00 H new ATOM 0 HA CYS A 119 4.929 2.637 7.656 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.796 1.752 10.328 1.00 0.00 H new ATOM 0 HB3 CYS A 119 2.945 1.922 8.806 1.00 0.00 H new ATOM 1761 N ALA A 120 5.885 4.698 9.484 1.00 0.00 N ATOM 1762 CA ALA A 120 5.828 6.048 10.029 1.00 0.00 C ATOM 1763 C ALA A 120 6.434 7.058 9.060 1.00 0.00 C ATOM 1764 O ALA A 120 6.280 8.268 9.229 1.00 0.00 O ATOM 1765 CB ALA A 120 6.544 6.107 11.371 1.00 0.00 C ATOM 0 H ALA A 120 6.823 4.380 9.242 1.00 0.00 H new ATOM 0 HA ALA A 120 4.780 6.309 10.177 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.493 7.122 11.766 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.065 5.421 12.070 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.587 5.821 11.240 1.00 0.00 H new ATOM 1771 N THR A 121 7.126 6.553 8.043 1.00 0.00 N ATOM 1772 CA THR A 121 7.757 7.410 7.048 1.00 0.00 C ATOM 1773 C THR A 121 6.720 8.030 6.119 1.00 0.00 C ATOM 1774 O THR A 121 5.948 7.334 5.459 1.00 0.00 O ATOM 1775 CB THR A 121 8.784 6.631 6.205 1.00 0.00 C ATOM 1776 OG1 THR A 121 9.857 6.176 7.038 1.00 0.00 O ATOM 1777 CG2 THR A 121 9.338 7.500 5.086 1.00 0.00 C ATOM 0 H THR A 121 7.263 5.554 7.887 1.00 0.00 H new ATOM 0 HA THR A 121 8.271 8.201 7.594 1.00 0.00 H new ATOM 0 HB THR A 121 8.280 5.773 5.761 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.505 5.680 6.495 1.00 0.00 H new ATOM 0 HG21 THR A 121 10.061 6.928 4.505 1.00 0.00 H new ATOM 0 HG22 THR A 121 8.523 7.821 4.437 1.00 0.00 H new ATOM 0 HG23 THR A 121 9.827 8.375 5.513 1.00 0.00 H new ATOM 1785 N PRO A 122 6.699 9.370 6.063 1.00 0.00 N ATOM 1786 CA PRO A 122 5.761 10.112 5.216 1.00 0.00 C ATOM 1787 C PRO A 122 6.073 9.958 3.731 1.00 0.00 C ATOM 1788 O PRO A 122 7.051 10.515 3.231 1.00 0.00 O ATOM 1789 CB PRO A 122 5.960 11.565 5.655 1.00 0.00 C ATOM 1790 CG PRO A 122 7.346 11.610 6.199 1.00 0.00 C ATOM 1791 CD PRO A 122 7.591 10.263 6.822 1.00 0.00 C ATOM 0 HA PRO A 122 4.738 9.753 5.330 1.00 0.00 H new ATOM 0 HB2 PRO A 122 5.841 12.252 4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.229 11.854 6.410 1.00 0.00 H new ATOM 0 HG2 PRO A 122 8.069 11.812 5.409 1.00 0.00 H new ATOM 0 HG3 PRO A 122 7.450 12.406 6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 122 8.634 9.962 6.731 1.00 0.00 H new ATOM 0 HD3 PRO A 122 7.351 10.262 7.885 1.00 0.00 H new ATOM 1799 N ARG A 123 5.237 9.198 3.031 1.00 0.00 N ATOM 1800 CA ARG A 123 5.425 8.970 1.604 1.00 0.00 C ATOM 1801 C ARG A 123 4.087 8.986 0.870 1.00 0.00 C ATOM 1802 O ARG A 123 3.023 8.809 1.464 1.00 0.00 O ATOM 1803 CB ARG A 123 6.132 7.634 1.368 1.00 0.00 C ATOM 1804 CG ARG A 123 7.648 7.734 1.397 1.00 0.00 C ATOM 1805 CD ARG A 123 8.300 6.381 1.162 1.00 0.00 C ATOM 1806 NE ARG A 123 9.608 6.284 1.805 1.00 0.00 N ATOM 1807 CZ ARG A 123 10.680 6.953 1.395 1.00 0.00 C ATOM 1808 NH1 ARG A 123 10.600 7.763 0.349 1.00 0.00 N ATOM 1809 NH2 ARG A 123 11.835 6.813 2.033 1.00 0.00 N ATOM 0 H ARG A 123 4.423 8.730 3.429 1.00 0.00 H new ATOM 0 HA ARG A 123 6.045 9.776 1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.809 6.922 2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 123 5.821 7.234 0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 123 7.982 8.437 0.634 1.00 0.00 H new ATOM 0 HG3 ARG A 123 7.969 8.132 2.360 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.649 5.594 1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.409 6.213 0.091 1.00 0.00 H new ATOM 0 HE ARG A 123 9.704 5.669 2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.714 7.874 -0.143 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.425 8.275 0.036 1.00 0.00 H new ATOM 0 HH21 ARG A 123 11.900 6.191 2.839 1.00 0.00 H new ATOM 0 HH22 ARG A 123 12.658 7.327 1.717 1.00 0.00 H new ATOM 1823 N PRO A 124 4.140 9.205 -0.452 1.00 0.00 N ATOM 1824 CA PRO A 124 2.941 9.250 -1.296 1.00 0.00 C ATOM 1825 C PRO A 124 2.289 7.880 -1.449 1.00 0.00 C ATOM 1826 O PRO A 124 2.882 6.857 -1.106 1.00 0.00 O ATOM 1827 CB PRO A 124 3.474 9.742 -2.643 1.00 0.00 C ATOM 1828 CG PRO A 124 4.908 9.339 -2.654 1.00 0.00 C ATOM 1829 CD PRO A 124 5.373 9.425 -1.226 1.00 0.00 C ATOM 0 HA PRO A 124 2.166 9.888 -0.870 1.00 0.00 H new ATOM 0 HB2 PRO A 124 2.930 9.291 -3.473 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.366 10.822 -2.741 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.026 8.328 -3.043 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.494 9.998 -3.296 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.127 8.671 -1.003 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.818 10.395 -1.006 1.00 0.00 H new ATOM 1837 N PHE A 125 1.065 7.867 -1.967 1.00 0.00 N ATOM 1838 CA PHE A 125 0.332 6.622 -2.165 1.00 0.00 C ATOM 1839 C PHE A 125 -0.537 6.697 -3.418 1.00 0.00 C ATOM 1840 O PHE A 125 -0.529 7.699 -4.132 1.00 0.00 O ATOM 1841 CB PHE A 125 -0.538 6.318 -0.944 1.00 0.00 C ATOM 1842 CG PHE A 125 -1.254 7.523 -0.403 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -0.565 8.496 0.302 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -2.616 7.682 -0.600 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -1.221 9.605 0.801 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.278 8.789 -0.103 1.00 0.00 C ATOM 1847 CZ PHE A 125 -2.579 9.752 0.597 1.00 0.00 C ATOM 0 H PHE A 125 0.560 8.704 -2.257 1.00 0.00 H new ATOM 0 HA PHE A 125 1.057 5.818 -2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -1.273 5.558 -1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.088 5.894 -0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.497 8.387 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -3.167 6.932 -1.148 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.672 10.356 1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -4.340 8.900 -0.262 1.00 0.00 H new ATOM 0 HZ PHE A 125 -3.093 10.619 0.984 1.00 0.00 H new ATOM 1857 N ILE A 126 -1.283 5.628 -3.677 1.00 0.00 N ATOM 1858 CA ILE A 126 -2.157 5.572 -4.841 1.00 0.00 C ATOM 1859 C ILE A 126 -3.488 4.911 -4.499 1.00 0.00 C ATOM 1860 O ILE A 126 -3.532 3.740 -4.121 1.00 0.00 O ATOM 1861 CB ILE A 126 -1.499 4.804 -6.003 1.00 0.00 C ATOM 1862 CG1 ILE A 126 -0.306 5.589 -6.551 1.00 0.00 C ATOM 1863 CG2 ILE A 126 -2.514 4.537 -7.104 1.00 0.00 C ATOM 1864 CD1 ILE A 126 0.269 5.006 -7.822 1.00 0.00 C ATOM 0 H ILE A 126 -1.299 4.790 -3.096 1.00 0.00 H new ATOM 0 HA ILE A 126 -2.335 6.602 -5.151 1.00 0.00 H new ATOM 0 HB ILE A 126 -1.139 3.846 -5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.614 6.617 -6.740 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.475 5.624 -5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.034 3.994 -7.918 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -3.335 3.942 -6.705 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -2.901 5.484 -7.479 1.00 0.00 H new ATOM 0 HD11 ILE A 126 1.111 5.614 -8.153 1.00 0.00 H new ATOM 0 HD12 ILE A 126 0.608 3.987 -7.634 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -0.497 4.996 -8.597 1.00 0.00 H new ATOM 1876 N CYS A 127 -4.571 5.668 -4.635 1.00 0.00 N ATOM 1877 CA CYS A 127 -5.905 5.156 -4.342 1.00 0.00 C ATOM 1878 C CYS A 127 -6.501 4.460 -5.562 1.00 0.00 C ATOM 1879 O CYS A 127 -6.248 4.857 -6.700 1.00 0.00 O ATOM 1880 CB CYS A 127 -6.822 6.293 -3.891 1.00 0.00 C ATOM 1881 SG CYS A 127 -6.165 7.273 -2.503 1.00 0.00 S ATOM 0 H CYS A 127 -4.551 6.639 -4.946 1.00 0.00 H new ATOM 0 HA CYS A 127 -5.818 4.427 -3.536 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -7.003 6.957 -4.737 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -7.786 5.875 -3.602 1.00 0.00 H new ATOM 1886 N GLN A 128 -7.293 3.422 -5.316 1.00 0.00 N ATOM 1887 CA GLN A 128 -7.925 2.671 -6.395 1.00 0.00 C ATOM 1888 C GLN A 128 -9.366 2.319 -6.042 1.00 0.00 C ATOM 1889 O GLN A 128 -9.733 2.263 -4.868 1.00 0.00 O ATOM 1890 CB GLN A 128 -7.133 1.396 -6.689 1.00 0.00 C ATOM 1891 CG GLN A 128 -7.927 0.349 -7.454 1.00 0.00 C ATOM 1892 CD GLN A 128 -7.195 -0.973 -7.565 1.00 0.00 C ATOM 1893 OE1 GLN A 128 -6.071 -1.034 -8.066 1.00 0.00 O ATOM 1894 NE2 GLN A 128 -7.828 -2.042 -7.097 1.00 0.00 N ATOM 0 H GLN A 128 -7.513 3.082 -4.380 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.932 3.299 -7.286 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -6.243 1.655 -7.262 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -6.792 0.965 -5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -8.884 0.189 -6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -8.146 0.724 -8.454 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -8.758 -1.946 -6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -7.384 -2.959 -7.144 1.00 0.00 H new