USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 443 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 2 GLN : amide:sc= -0.308 K(o=-0.42,f=0.64) USER MOD Set 1.2: A 4 ASN : amide:sc= -0.108 K(o=-0.42,f=-6.4!) USER MOD Single : A 9 SER OG : rot 179:sc= -0.19 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.12) USER MOD Single : A 16 GLN : amide:sc= -2.31 K(o=-2.3,f=-1.7) USER MOD Single : A 17 TYR OH : rot -110:sc= -3.48! USER MOD Single : A 20 HIS : no HD1:sc= -4.07! C(o=-4.1!,f=-4.3!) USER MOD Single : A 21 SER OG : rot -136:sc= -0.523! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 53:sc= 0.373 USER MOD Single : A 38 ASN : amide:sc= -0.0181 K(o=-0.018,f=-3!) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.49) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0867 USER MOD Single : A 60 GLN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 162:sc=-0.000789 (180deg=-0.118) USER MOD Single : A 66 ASN : amide:sc= -0.704 K(o=-0.7,f=-0.15) USER MOD Single : A 67 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.062) USER MOD Single : A 68 SER OG : rot 180:sc= 0.00669 USER MOD Single : A 70 THR OG1 : rot 53:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 1.421 -1.758 -2.981 1.00 0.00 N ATOM 12 CA GLN A 2 1.490 -3.123 -3.492 1.00 0.00 C ATOM 13 C GLN A 2 2.894 -3.448 -3.989 1.00 0.00 C ATOM 14 O GLN A 2 3.432 -2.759 -4.857 1.00 0.00 O ATOM 15 CB GLN A 2 0.478 -3.318 -4.622 1.00 0.00 C ATOM 16 CG GLN A 2 0.115 -4.774 -4.868 1.00 0.00 C ATOM 17 CD GLN A 2 1.106 -5.477 -5.775 1.00 0.00 C ATOM 18 OE1 GLN A 2 1.617 -4.890 -6.729 1.00 0.00 O ATOM 19 NE2 GLN A 2 1.383 -6.742 -5.481 1.00 0.00 N ATOM 0 HA GLN A 2 1.248 -3.803 -2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.429 -2.761 -4.387 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.884 -2.893 -5.540 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.066 -5.299 -3.914 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.879 -4.827 -5.312 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.936 -7.189 -4.681 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.043 -7.266 -6.056 1.00 0.00 H new ATOM 28 N VAL A 3 3.485 -4.501 -3.433 1.00 0.00 N ATOM 29 CA VAL A 3 4.827 -4.918 -3.821 1.00 0.00 C ATOM 30 C VAL A 3 4.897 -6.427 -4.022 1.00 0.00 C ATOM 31 O VAL A 3 4.580 -7.199 -3.118 1.00 0.00 O ATOM 32 CB VAL A 3 5.870 -4.502 -2.767 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.260 -4.965 -3.178 1.00 0.00 C ATOM 34 CG2 VAL A 3 5.842 -2.996 -2.555 1.00 0.00 C ATOM 0 H VAL A 3 3.055 -5.081 -2.712 1.00 0.00 H new ATOM 0 HA VAL A 3 5.054 -4.419 -4.763 1.00 0.00 H new ATOM 0 HB VAL A 3 5.618 -4.984 -1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.983 -4.662 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.268 -6.051 -3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.526 -4.515 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.585 -2.720 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.068 -2.492 -3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.852 -2.695 -2.211 1.00 0.00 H new ATOM 44 N ASN A 4 5.316 -6.842 -5.213 1.00 0.00 N ATOM 45 CA ASN A 4 5.428 -8.260 -5.533 1.00 0.00 C ATOM 46 C ASN A 4 6.873 -8.634 -5.850 1.00 0.00 C ATOM 47 O ASN A 4 7.432 -8.194 -6.855 1.00 0.00 O ATOM 48 CB ASN A 4 4.528 -8.609 -6.720 1.00 0.00 C ATOM 49 CG ASN A 4 4.461 -7.492 -7.744 1.00 0.00 C ATOM 50 OD1 ASN A 4 3.634 -6.587 -7.638 1.00 0.00 O ATOM 51 ND2 ASN A 4 5.335 -7.552 -8.742 1.00 0.00 N ATOM 0 H ASN A 4 5.584 -6.216 -5.973 1.00 0.00 H new ATOM 0 HA ASN A 4 5.106 -8.830 -4.661 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.898 -9.515 -7.199 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.523 -8.827 -6.359 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.338 -6.829 -9.461 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.003 -8.321 -8.789 1.00 0.00 H new ATOM 58 N ILE A 5 7.471 -9.448 -4.986 1.00 0.00 N ATOM 59 CA ILE A 5 8.849 -9.882 -5.175 1.00 0.00 C ATOM 60 C ILE A 5 8.945 -11.403 -5.218 1.00 0.00 C ATOM 61 O ILE A 5 8.297 -12.099 -4.437 1.00 0.00 O ATOM 62 CB ILE A 5 9.764 -9.353 -4.054 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.697 -7.826 -3.990 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.196 -9.817 -4.277 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.258 -7.250 -2.708 1.00 0.00 C ATOM 0 H ILE A 5 7.022 -9.820 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 5 9.181 -9.472 -6.129 1.00 0.00 H new ATOM 0 HB ILE A 5 9.417 -9.753 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.245 -7.411 -4.836 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.659 -7.511 -4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.831 -9.436 -3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.229 -10.906 -4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.555 -9.442 -5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.178 -6.163 -2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.695 -7.637 -1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.306 -7.535 -2.609 1.00 0.00 H new ATOM 77 N ALA A 6 9.760 -11.913 -6.136 1.00 0.00 N ATOM 78 CA ALA A 6 9.945 -13.352 -6.279 1.00 0.00 C ATOM 79 C ALA A 6 11.063 -13.854 -5.372 1.00 0.00 C ATOM 80 O ALA A 6 12.158 -13.292 -5.326 1.00 0.00 O ATOM 81 CB ALA A 6 10.240 -13.704 -7.730 1.00 0.00 C ATOM 0 H ALA A 6 10.303 -11.351 -6.792 1.00 0.00 H new ATOM 0 HA ALA A 6 9.020 -13.845 -5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.376 -14.782 -7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.407 -13.388 -8.358 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.149 -13.195 -8.050 1.00 0.00 H new ATOM 87 N PRO A 7 10.784 -14.938 -4.633 1.00 0.00 N ATOM 88 CA PRO A 7 11.754 -15.540 -3.714 1.00 0.00 C ATOM 89 C PRO A 7 12.906 -16.217 -4.448 1.00 0.00 C ATOM 90 O PRO A 7 13.131 -15.970 -5.632 1.00 0.00 O ATOM 91 CB PRO A 7 10.925 -16.576 -2.951 1.00 0.00 C ATOM 92 CG PRO A 7 9.805 -16.917 -3.872 1.00 0.00 C ATOM 93 CD PRO A 7 9.501 -15.660 -4.638 1.00 0.00 C ATOM 0 HA PRO A 7 12.224 -14.794 -3.073 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.519 -17.457 -2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.554 -16.171 -2.010 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.087 -17.726 -4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.931 -17.256 -3.315 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.167 -15.879 -5.652 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.712 -15.080 -4.161 1.00 0.00 H new ATOM 101 N GLY A 8 13.634 -17.073 -3.737 1.00 0.00 N ATOM 102 CA GLY A 8 14.754 -17.773 -4.339 1.00 0.00 C ATOM 103 C GLY A 8 16.092 -17.199 -3.915 1.00 0.00 C ATOM 104 O GLY A 8 17.135 -17.584 -4.442 1.00 0.00 O ATOM 0 H GLY A 8 13.468 -17.294 -2.755 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.710 -18.827 -4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.668 -17.724 -5.425 1.00 0.00 H new ATOM 108 N SER A 9 16.062 -16.275 -2.960 1.00 0.00 N ATOM 109 CA SER A 9 17.281 -15.643 -2.469 1.00 0.00 C ATOM 110 C SER A 9 16.960 -14.594 -1.409 1.00 0.00 C ATOM 111 O SER A 9 16.092 -13.742 -1.604 1.00 0.00 O ATOM 112 CB SER A 9 18.047 -14.998 -3.625 1.00 0.00 C ATOM 113 OG SER A 9 19.044 -14.112 -3.145 1.00 0.00 O ATOM 0 H SER A 9 15.207 -15.947 -2.511 1.00 0.00 H new ATOM 0 HA SER A 9 17.903 -16.414 -2.015 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.509 -15.773 -4.237 1.00 0.00 H new ATOM 0 HB3 SER A 9 17.353 -14.456 -4.268 1.00 0.00 H new ATOM 0 HG SER A 9 19.531 -13.726 -3.903 1.00 0.00 H new ATOM 119 N LEU A 10 17.665 -14.663 -0.285 1.00 0.00 N ATOM 120 CA LEU A 10 17.457 -13.720 0.808 1.00 0.00 C ATOM 121 C LEU A 10 18.058 -12.358 0.475 1.00 0.00 C ATOM 122 O LEU A 10 17.429 -11.322 0.688 1.00 0.00 O ATOM 123 CB LEU A 10 18.074 -14.261 2.099 1.00 0.00 C ATOM 124 CG LEU A 10 17.641 -13.568 3.392 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.675 -14.544 4.557 1.00 0.00 C ATOM 126 CD2 LEU A 10 18.529 -12.365 3.675 1.00 0.00 C ATOM 0 H LEU A 10 18.386 -15.362 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 10 16.383 -13.597 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.830 -15.320 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.159 -14.189 2.018 1.00 0.00 H new ATOM 0 HG LEU A 10 16.616 -13.217 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.364 -14.034 5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.997 -15.374 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.688 -14.926 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 10 18.207 -11.884 4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.563 -12.693 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.454 -11.655 2.851 1.00 0.00 H new ATOM 138 N ASP A 11 19.278 -12.369 -0.051 1.00 0.00 N ATOM 139 CA ASP A 11 19.963 -11.135 -0.418 1.00 0.00 C ATOM 140 C ASP A 11 19.197 -10.391 -1.507 1.00 0.00 C ATOM 141 O ASP A 11 19.001 -9.178 -1.426 1.00 0.00 O ATOM 142 CB ASP A 11 21.385 -11.438 -0.893 1.00 0.00 C ATOM 143 CG ASP A 11 21.958 -10.327 -1.751 1.00 0.00 C ATOM 144 OD1 ASP A 11 22.581 -9.403 -1.187 1.00 0.00 O ATOM 145 OD2 ASP A 11 21.784 -10.382 -2.986 1.00 0.00 O ATOM 0 H ASP A 11 19.813 -13.218 -0.233 1.00 0.00 H new ATOM 0 HA ASP A 11 20.011 -10.499 0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 11 22.029 -11.593 -0.027 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.385 -12.368 -1.461 1.00 0.00 H new ATOM 150 N LYS A 12 18.767 -11.125 -2.528 1.00 0.00 N ATOM 151 CA LYS A 12 18.022 -10.537 -3.634 1.00 0.00 C ATOM 152 C LYS A 12 16.667 -10.019 -3.163 1.00 0.00 C ATOM 153 O LYS A 12 16.297 -8.879 -3.441 1.00 0.00 O ATOM 154 CB LYS A 12 17.827 -11.566 -4.750 1.00 0.00 C ATOM 155 CG LYS A 12 16.553 -11.360 -5.551 1.00 0.00 C ATOM 156 CD LYS A 12 16.546 -10.011 -6.250 1.00 0.00 C ATOM 157 CE LYS A 12 17.350 -10.047 -7.541 1.00 0.00 C ATOM 158 NZ LYS A 12 16.613 -9.416 -8.671 1.00 0.00 N ATOM 0 H LYS A 12 18.922 -12.130 -2.612 1.00 0.00 H new ATOM 0 HA LYS A 12 18.598 -9.696 -4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.682 -11.524 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.815 -12.565 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 12 16.455 -12.155 -6.291 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.690 -11.432 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.519 -9.719 -6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.959 -9.253 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.298 -9.531 -7.393 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.586 -11.081 -7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.194 -9.461 -9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.719 -9.924 -8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.410 -8.422 -8.441 1.00 0.00 H new ATOM 172 N ALA A 13 15.931 -10.864 -2.448 1.00 0.00 N ATOM 173 CA ALA A 13 14.619 -10.490 -1.936 1.00 0.00 C ATOM 174 C ALA A 13 14.705 -9.240 -1.066 1.00 0.00 C ATOM 175 O ALA A 13 13.792 -8.413 -1.058 1.00 0.00 O ATOM 176 CB ALA A 13 14.012 -11.642 -1.149 1.00 0.00 C ATOM 0 H ALA A 13 16.222 -11.812 -2.210 1.00 0.00 H new ATOM 0 HA ALA A 13 13.975 -10.266 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.032 -11.349 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.906 -12.511 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.663 -11.893 -0.311 1.00 0.00 H new ATOM 182 N LEU A 14 15.806 -9.109 -0.335 1.00 0.00 N ATOM 183 CA LEU A 14 16.011 -7.959 0.540 1.00 0.00 C ATOM 184 C LEU A 14 16.125 -6.672 -0.271 1.00 0.00 C ATOM 185 O LEU A 14 15.442 -5.688 0.010 1.00 0.00 O ATOM 186 CB LEU A 14 17.270 -8.155 1.386 1.00 0.00 C ATOM 187 CG LEU A 14 18.017 -6.881 1.783 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.147 -6.008 2.674 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.324 -7.225 2.483 1.00 0.00 C ATOM 0 H LEU A 14 16.571 -9.784 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 14 15.147 -7.876 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.993 -8.688 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.957 -8.798 0.836 1.00 0.00 H new ATOM 0 HG LEU A 14 18.250 -6.322 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.695 -5.106 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.239 -5.733 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.883 -6.559 3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.842 -6.306 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.114 -7.806 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.953 -7.809 1.812 1.00 0.00 H new ATOM 201 N ASN A 15 16.991 -6.688 -1.279 1.00 0.00 N ATOM 202 CA ASN A 15 17.192 -5.522 -2.132 1.00 0.00 C ATOM 203 C ASN A 15 15.911 -5.166 -2.879 1.00 0.00 C ATOM 204 O ASN A 15 15.648 -3.997 -3.158 1.00 0.00 O ATOM 205 CB ASN A 15 18.322 -5.784 -3.130 1.00 0.00 C ATOM 206 CG ASN A 15 19.605 -6.221 -2.450 1.00 0.00 C ATOM 207 OD1 ASN A 15 20.034 -5.620 -1.465 1.00 0.00 O ATOM 208 ND2 ASN A 15 20.224 -7.272 -2.974 1.00 0.00 N ATOM 0 H ASN A 15 17.564 -7.495 -1.525 1.00 0.00 H new ATOM 0 HA ASN A 15 17.465 -4.680 -1.496 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.008 -6.553 -3.836 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.510 -4.879 -3.707 1.00 0.00 H new ATOM 0 HD21 ASN A 15 21.092 -7.612 -2.559 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.832 -7.740 -3.791 1.00 0.00 H new ATOM 215 N GLN A 16 15.117 -6.183 -3.199 1.00 0.00 N ATOM 216 CA GLN A 16 13.863 -5.978 -3.913 1.00 0.00 C ATOM 217 C GLN A 16 12.936 -5.053 -3.131 1.00 0.00 C ATOM 218 O GLN A 16 12.502 -4.018 -3.639 1.00 0.00 O ATOM 219 CB GLN A 16 13.170 -7.318 -4.167 1.00 0.00 C ATOM 220 CG GLN A 16 13.946 -8.238 -5.095 1.00 0.00 C ATOM 221 CD GLN A 16 13.411 -8.222 -6.513 1.00 0.00 C ATOM 222 OE1 GLN A 16 13.212 -7.159 -7.103 1.00 0.00 O ATOM 223 NE2 GLN A 16 13.174 -9.404 -7.070 1.00 0.00 N ATOM 0 H GLN A 16 15.320 -7.157 -2.975 1.00 0.00 H new ATOM 0 HA GLN A 16 14.092 -5.509 -4.870 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.015 -7.824 -3.214 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.184 -7.133 -4.594 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.994 -7.940 -5.103 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.907 -9.256 -4.707 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.353 -10.260 -6.545 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.813 -9.456 -8.023 1.00 0.00 H new ATOM 232 N TYR A 17 12.637 -5.432 -1.894 1.00 0.00 N ATOM 233 CA TYR A 17 11.759 -4.637 -1.042 1.00 0.00 C ATOM 234 C TYR A 17 12.475 -3.389 -0.536 1.00 0.00 C ATOM 235 O TYR A 17 11.870 -2.326 -0.399 1.00 0.00 O ATOM 236 CB TYR A 17 11.269 -5.473 0.141 1.00 0.00 C ATOM 237 CG TYR A 17 12.153 -5.368 1.364 1.00 0.00 C ATOM 238 CD1 TYR A 17 11.984 -4.338 2.281 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.156 -6.299 1.602 1.00 0.00 C ATOM 240 CE1 TYR A 17 12.789 -4.237 3.399 1.00 0.00 C ATOM 241 CE2 TYR A 17 13.965 -6.208 2.718 1.00 0.00 C ATOM 242 CZ TYR A 17 13.778 -5.175 3.613 1.00 0.00 C ATOM 243 OH TYR A 17 14.582 -5.079 4.726 1.00 0.00 O ATOM 0 H TYR A 17 12.989 -6.284 -1.458 1.00 0.00 H new ATOM 0 HA TYR A 17 10.901 -4.325 -1.638 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.259 -5.158 0.405 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.207 -6.518 -0.164 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.210 -3.603 2.117 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.306 -7.108 0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.645 -3.429 4.101 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.739 -6.941 2.889 1.00 0.00 H new ATOM 0 HH TYR A 17 15.489 -4.828 4.453 1.00 0.00 H new ATOM 253 N ALA A 18 13.768 -3.527 -0.260 1.00 0.00 N ATOM 254 CA ALA A 18 14.568 -2.411 0.228 1.00 0.00 C ATOM 255 C ALA A 18 14.602 -1.274 -0.788 1.00 0.00 C ATOM 256 O ALA A 18 14.678 -0.102 -0.419 1.00 0.00 O ATOM 257 CB ALA A 18 15.980 -2.875 0.550 1.00 0.00 C ATOM 0 H ALA A 18 14.283 -4.401 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 18 14.104 -2.035 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.566 -2.031 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.943 -3.648 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.444 -3.279 -0.350 1.00 0.00 H new ATOM 263 N ALA A 19 14.545 -1.627 -2.067 1.00 0.00 N ATOM 264 CA ALA A 19 14.568 -0.636 -3.136 1.00 0.00 C ATOM 265 C ALA A 19 13.204 0.025 -3.300 1.00 0.00 C ATOM 266 O ALA A 19 13.109 1.180 -3.717 1.00 0.00 O ATOM 267 CB ALA A 19 15.006 -1.280 -4.443 1.00 0.00 C ATOM 0 H ALA A 19 14.482 -2.593 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 19 15.287 0.137 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 19 15.019 -0.529 -5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.005 -1.699 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.308 -2.074 -4.709 1.00 0.00 H new ATOM 273 N HIS A 20 12.149 -0.714 -2.971 1.00 0.00 N ATOM 274 CA HIS A 20 10.789 -0.198 -3.082 1.00 0.00 C ATOM 275 C HIS A 20 10.473 0.754 -1.933 1.00 0.00 C ATOM 276 O HIS A 20 9.631 1.642 -2.063 1.00 0.00 O ATOM 277 CB HIS A 20 9.784 -1.350 -3.097 1.00 0.00 C ATOM 278 CG HIS A 20 8.948 -1.432 -1.857 1.00 0.00 C ATOM 279 ND1 HIS A 20 7.881 -0.594 -1.612 1.00 0.00 N ATOM 280 CD2 HIS A 20 9.028 -2.260 -0.789 1.00 0.00 C ATOM 281 CE1 HIS A 20 7.340 -0.903 -0.447 1.00 0.00 C ATOM 282 NE2 HIS A 20 8.017 -1.910 0.073 1.00 0.00 N ATOM 0 H HIS A 20 12.210 -1.672 -2.625 1.00 0.00 H new ATOM 0 HA HIS A 20 10.712 0.354 -4.019 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.128 -1.238 -3.961 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.322 -2.289 -3.225 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.751 -3.048 -0.642 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.488 -0.415 0.003 1.00 0.00 H new ATOM 0 HE2 HIS A 20 7.821 -2.356 0.969 1.00 0.00 H new ATOM 290 N SER A 21 11.153 0.561 -0.807 1.00 0.00 N ATOM 291 CA SER A 21 10.941 1.399 0.367 1.00 0.00 C ATOM 292 C SER A 21 11.767 2.679 0.277 1.00 0.00 C ATOM 293 O SER A 21 11.223 3.782 0.259 1.00 0.00 O ATOM 294 CB SER A 21 11.306 0.632 1.640 1.00 0.00 C ATOM 295 OG SER A 21 11.431 1.509 2.746 1.00 0.00 O ATOM 0 H SER A 21 11.855 -0.168 -0.683 1.00 0.00 H new ATOM 0 HA SER A 21 9.886 1.670 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.541 -0.116 1.850 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.243 0.096 1.489 1.00 0.00 H new ATOM 0 HG SER A 21 12.226 1.268 3.267 1.00 0.00 H new ATOM 301 N GLY A 22 13.086 2.522 0.221 1.00 0.00 N ATOM 302 CA GLY A 22 13.967 3.672 0.134 1.00 0.00 C ATOM 303 C GLY A 22 14.827 3.839 1.371 1.00 0.00 C ATOM 304 O GLY A 22 15.283 4.942 1.674 1.00 0.00 O ATOM 0 H GLY A 22 13.560 1.619 0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.610 3.568 -0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.371 4.572 -0.014 1.00 0.00 H new ATOM 308 N PHE A 23 15.046 2.743 2.090 1.00 0.00 N ATOM 309 CA PHE A 23 15.854 2.774 3.304 1.00 0.00 C ATOM 310 C PHE A 23 17.020 1.794 3.205 1.00 0.00 C ATOM 311 O PHE A 23 17.086 0.978 2.286 1.00 0.00 O ATOM 312 CB PHE A 23 14.993 2.439 4.523 1.00 0.00 C ATOM 313 CG PHE A 23 14.797 0.964 4.732 1.00 0.00 C ATOM 314 CD1 PHE A 23 14.075 0.212 3.819 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.335 0.331 5.840 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.893 -1.144 4.010 1.00 0.00 C ATOM 317 CE2 PHE A 23 15.156 -1.026 6.036 1.00 0.00 C ATOM 318 CZ PHE A 23 14.435 -1.765 5.118 1.00 0.00 C ATOM 0 H PHE A 23 14.675 1.823 1.853 1.00 0.00 H new ATOM 0 HA PHE A 23 16.257 3.780 3.418 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.456 2.866 5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 23 14.019 2.915 4.411 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.650 0.691 2.949 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.901 0.904 6.559 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.326 -1.719 3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.579 -1.507 6.905 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.296 -2.826 5.267 1.00 0.00 H new ATOM 328 N THR A 24 17.941 1.882 4.161 1.00 0.00 N ATOM 329 CA THR A 24 19.106 1.006 4.182 1.00 0.00 C ATOM 330 C THR A 24 18.973 -0.058 5.265 1.00 0.00 C ATOM 331 O THR A 24 18.308 0.154 6.280 1.00 0.00 O ATOM 332 CB THR A 24 20.403 1.802 4.417 1.00 0.00 C ATOM 333 OG1 THR A 24 20.463 2.917 3.520 1.00 0.00 O ATOM 334 CG2 THR A 24 21.624 0.918 4.218 1.00 0.00 C ATOM 0 H THR A 24 17.902 2.551 4.930 1.00 0.00 H new ATOM 0 HA THR A 24 19.157 0.523 3.206 1.00 0.00 H new ATOM 0 HB THR A 24 20.400 2.164 5.445 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.290 3.419 3.677 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.528 1.502 4.389 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.590 0.087 4.922 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.630 0.530 3.199 1.00 0.00 H new ATOM 342 N LEU A 25 19.609 -1.203 5.044 1.00 0.00 N ATOM 343 CA LEU A 25 19.563 -2.302 6.003 1.00 0.00 C ATOM 344 C LEU A 25 20.935 -2.951 6.153 1.00 0.00 C ATOM 345 O LEU A 25 21.601 -3.255 5.164 1.00 0.00 O ATOM 346 CB LEU A 25 18.537 -3.347 5.561 1.00 0.00 C ATOM 347 CG LEU A 25 18.261 -4.477 6.553 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.903 -4.288 7.213 1.00 0.00 C ATOM 349 CD2 LEU A 25 18.334 -5.828 5.857 1.00 0.00 C ATOM 0 H LEU A 25 20.163 -1.395 4.209 1.00 0.00 H new ATOM 0 HA LEU A 25 19.266 -1.896 6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.597 -2.838 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.877 -3.788 4.624 1.00 0.00 H new ATOM 0 HG LEU A 25 19.026 -4.449 7.328 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.724 -5.102 7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.887 -3.338 7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.124 -4.289 6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.135 -6.620 6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.591 -5.868 5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.329 -5.965 5.433 1.00 0.00 H new ATOM 361 N SER A 26 21.351 -3.162 7.398 1.00 0.00 N ATOM 362 CA SER A 26 22.644 -3.775 7.679 1.00 0.00 C ATOM 363 C SER A 26 22.470 -5.091 8.431 1.00 0.00 C ATOM 364 O SER A 26 22.209 -5.102 9.634 1.00 0.00 O ATOM 365 CB SER A 26 23.518 -2.819 8.494 1.00 0.00 C ATOM 366 OG SER A 26 24.638 -2.386 7.742 1.00 0.00 O ATOM 0 H SER A 26 20.811 -2.917 8.228 1.00 0.00 H new ATOM 0 HA SER A 26 23.135 -3.983 6.728 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.928 -1.956 8.803 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.856 -3.316 9.403 1.00 0.00 H new ATOM 0 HG SER A 26 25.180 -1.775 8.284 1.00 0.00 H new ATOM 372 N VAL A 27 22.618 -6.199 7.713 1.00 0.00 N ATOM 373 CA VAL A 27 22.479 -7.522 8.311 1.00 0.00 C ATOM 374 C VAL A 27 23.639 -8.428 7.915 1.00 0.00 C ATOM 375 O VAL A 27 24.081 -8.423 6.767 1.00 0.00 O ATOM 376 CB VAL A 27 21.155 -8.190 7.894 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.980 -8.134 6.384 1.00 0.00 C ATOM 378 CG2 VAL A 27 21.104 -9.626 8.392 1.00 0.00 C ATOM 0 H VAL A 27 22.834 -6.207 6.716 1.00 0.00 H new ATOM 0 HA VAL A 27 22.483 -7.383 9.392 1.00 0.00 H new ATOM 0 HB VAL A 27 20.332 -7.641 8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.039 -8.611 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.969 -7.094 6.057 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.806 -8.657 5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.162 -10.083 8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.934 -10.189 7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 27 21.179 -9.637 9.479 1.00 0.00 H new ATOM 388 N ASP A 28 24.128 -9.206 8.875 1.00 0.00 N ATOM 389 CA ASP A 28 25.236 -10.121 8.627 1.00 0.00 C ATOM 390 C ASP A 28 24.968 -10.979 7.394 1.00 0.00 C ATOM 391 O ASP A 28 24.095 -11.846 7.407 1.00 0.00 O ATOM 392 CB ASP A 28 25.469 -11.016 9.846 1.00 0.00 C ATOM 393 CG ASP A 28 26.282 -10.326 10.924 1.00 0.00 C ATOM 394 OD1 ASP A 28 27.172 -9.523 10.573 1.00 0.00 O ATOM 395 OD2 ASP A 28 26.028 -10.589 12.118 1.00 0.00 O ATOM 0 H ASP A 28 23.775 -9.221 9.832 1.00 0.00 H new ATOM 0 HA ASP A 28 26.132 -9.527 8.446 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.507 -11.320 10.259 1.00 0.00 H new ATOM 0 HB3 ASP A 28 25.983 -11.925 9.533 1.00 0.00 H new ATOM 524 N SER A 37 14.484 -16.803 1.072 1.00 0.00 N ATOM 525 CA SER A 37 13.454 -16.088 1.816 1.00 0.00 C ATOM 526 C SER A 37 12.196 -15.913 0.971 1.00 0.00 C ATOM 527 O SER A 37 12.268 -15.797 -0.252 1.00 0.00 O ATOM 528 CB SER A 37 13.975 -14.722 2.266 1.00 0.00 C ATOM 529 OG SER A 37 12.906 -13.825 2.513 1.00 0.00 O ATOM 0 HA SER A 37 13.200 -16.679 2.696 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.574 -14.837 3.170 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.631 -14.309 1.500 1.00 0.00 H new ATOM 0 HG SER A 37 12.266 -14.240 3.128 1.00 0.00 H new ATOM 535 N ASN A 38 11.044 -15.894 1.633 1.00 0.00 N ATOM 536 CA ASN A 38 9.768 -15.733 0.944 1.00 0.00 C ATOM 537 C ASN A 38 9.583 -14.294 0.472 1.00 0.00 C ATOM 538 O ASN A 38 9.683 -13.354 1.260 1.00 0.00 O ATOM 539 CB ASN A 38 8.613 -16.134 1.864 1.00 0.00 C ATOM 540 CG ASN A 38 7.374 -16.541 1.092 1.00 0.00 C ATOM 541 OD1 ASN A 38 7.069 -15.976 0.042 1.00 0.00 O ATOM 542 ND2 ASN A 38 6.652 -17.528 1.610 1.00 0.00 N ATOM 0 H ASN A 38 10.967 -15.988 2.646 1.00 0.00 H new ATOM 0 HA ASN A 38 9.770 -16.385 0.071 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.929 -16.961 2.500 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.370 -15.300 2.522 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.807 -17.846 1.135 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.942 -17.968 2.483 1.00 0.00 H new ATOM 549 N GLY A 39 9.311 -14.131 -0.819 1.00 0.00 N ATOM 550 CA GLY A 39 9.115 -12.804 -1.373 1.00 0.00 C ATOM 551 C GLY A 39 7.909 -12.101 -0.782 1.00 0.00 C ATOM 552 O GLY A 39 7.320 -12.574 0.191 1.00 0.00 O ATOM 0 H GLY A 39 9.223 -14.894 -1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.006 -12.203 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.994 -12.879 -2.454 1.00 0.00 H new ATOM 556 N LEU A 40 7.541 -10.967 -1.369 1.00 0.00 N ATOM 557 CA LEU A 40 6.398 -10.196 -0.893 1.00 0.00 C ATOM 558 C LEU A 40 5.249 -10.249 -1.895 1.00 0.00 C ATOM 559 O LEU A 40 5.458 -10.508 -3.081 1.00 0.00 O ATOM 560 CB LEU A 40 6.806 -8.743 -0.644 1.00 0.00 C ATOM 561 CG LEU A 40 5.750 -7.852 0.012 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.306 -8.441 1.342 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.288 -6.441 0.205 1.00 0.00 C ATOM 0 H LEU A 40 8.017 -10.562 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 40 6.059 -10.638 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.697 -8.739 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.087 -8.297 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 40 4.884 -7.802 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.555 -7.793 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.880 -9.431 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.164 -8.521 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.523 -5.821 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.171 -6.472 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.556 -6.018 -0.763 1.00 0.00 H new ATOM 575 N HIS A 41 4.036 -10.000 -1.412 1.00 0.00 N ATOM 576 CA HIS A 41 2.855 -10.016 -2.267 1.00 0.00 C ATOM 577 C HIS A 41 1.702 -9.259 -1.615 1.00 0.00 C ATOM 578 O HIS A 41 1.030 -9.778 -0.724 1.00 0.00 O ATOM 579 CB HIS A 41 2.433 -11.456 -2.562 1.00 0.00 C ATOM 580 CG HIS A 41 2.052 -11.687 -3.992 1.00 0.00 C ATOM 581 ND1 HIS A 41 0.772 -12.016 -4.386 1.00 0.00 N ATOM 582 CD2 HIS A 41 2.791 -11.633 -5.125 1.00 0.00 C ATOM 583 CE1 HIS A 41 0.741 -12.156 -5.700 1.00 0.00 C ATOM 584 NE2 HIS A 41 1.953 -11.929 -6.172 1.00 0.00 N ATOM 0 H HIS A 41 3.845 -9.785 -0.433 1.00 0.00 H new ATOM 0 HA HIS A 41 3.108 -9.520 -3.204 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.251 -12.127 -2.300 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.589 -11.717 -1.923 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.843 -11.400 -5.193 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -0.128 -12.412 -6.288 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.223 -11.967 -7.155 1.00 0.00 H new ATOM 592 N GLY A 42 1.478 -8.028 -2.064 1.00 0.00 N ATOM 593 CA GLY A 42 0.407 -7.219 -1.512 1.00 0.00 C ATOM 594 C GLY A 42 0.886 -5.854 -1.059 1.00 0.00 C ATOM 595 O GLY A 42 2.028 -5.472 -1.315 1.00 0.00 O ATOM 0 H GLY A 42 2.020 -7.576 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.375 -7.096 -2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.041 -7.742 -0.667 1.00 0.00 H new ATOM 599 N ASP A 43 0.011 -5.116 -0.385 1.00 0.00 N ATOM 600 CA ASP A 43 0.350 -3.785 0.105 1.00 0.00 C ATOM 601 C ASP A 43 0.913 -3.855 1.521 1.00 0.00 C ATOM 602 O ASP A 43 0.222 -4.260 2.456 1.00 0.00 O ATOM 603 CB ASP A 43 -0.882 -2.879 0.077 1.00 0.00 C ATOM 604 CG ASP A 43 -2.087 -3.519 0.738 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.738 -4.367 0.092 1.00 0.00 O ATOM 606 OD2 ASP A 43 -2.379 -3.173 1.902 1.00 0.00 O ATOM 0 H ASP A 43 -0.939 -5.417 -0.165 1.00 0.00 H new ATOM 0 HA ASP A 43 1.114 -3.367 -0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.651 -1.941 0.581 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.126 -2.634 -0.957 1.00 0.00 H new ATOM 611 N TYR A 44 2.172 -3.458 1.671 1.00 0.00 N ATOM 612 CA TYR A 44 2.829 -3.478 2.973 1.00 0.00 C ATOM 613 C TYR A 44 3.913 -2.407 3.052 1.00 0.00 C ATOM 614 O TYR A 44 4.774 -2.313 2.177 1.00 0.00 O ATOM 615 CB TYR A 44 3.438 -4.856 3.238 1.00 0.00 C ATOM 616 CG TYR A 44 2.428 -5.981 3.203 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.575 -6.209 4.276 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.327 -6.815 2.097 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.652 -7.236 4.249 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.405 -7.844 2.060 1.00 0.00 C ATOM 621 CZ TYR A 44 0.571 -8.051 3.138 1.00 0.00 C ATOM 622 OH TYR A 44 -0.349 -9.074 3.106 1.00 0.00 O ATOM 0 H TYR A 44 2.758 -3.119 0.908 1.00 0.00 H new ATOM 0 HA TYR A 44 2.078 -3.267 3.735 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.212 -5.051 2.496 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.926 -4.847 4.213 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.635 -5.572 5.146 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.980 -6.657 1.251 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.003 -7.400 5.092 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.338 -8.482 1.191 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.277 -9.552 2.253 1.00 0.00 H new ATOM 632 N ASP A 45 3.863 -1.602 4.108 1.00 0.00 N ATOM 633 CA ASP A 45 4.841 -0.538 4.305 1.00 0.00 C ATOM 634 C ASP A 45 6.255 -1.106 4.374 1.00 0.00 C ATOM 635 O ASP A 45 6.466 -2.302 4.174 1.00 0.00 O ATOM 636 CB ASP A 45 4.528 0.241 5.583 1.00 0.00 C ATOM 637 CG ASP A 45 3.092 0.726 5.628 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.214 -0.057 6.045 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.847 1.890 5.246 1.00 0.00 O ATOM 0 H ASP A 45 3.156 -1.666 4.840 1.00 0.00 H new ATOM 0 HA ASP A 45 4.782 0.139 3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.722 -0.393 6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.200 1.096 5.658 1.00 0.00 H new ATOM 644 N VAL A 46 7.222 -0.239 4.658 1.00 0.00 N ATOM 645 CA VAL A 46 8.617 -0.653 4.754 1.00 0.00 C ATOM 646 C VAL A 46 8.809 -1.682 5.862 1.00 0.00 C ATOM 647 O VAL A 46 9.470 -2.702 5.667 1.00 0.00 O ATOM 648 CB VAL A 46 9.543 0.549 5.017 1.00 0.00 C ATOM 649 CG1 VAL A 46 9.070 1.331 6.234 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.980 0.085 5.198 1.00 0.00 C ATOM 0 H VAL A 46 7.065 0.755 4.826 1.00 0.00 H new ATOM 0 HA VAL A 46 8.881 -1.101 3.796 1.00 0.00 H new ATOM 0 HB VAL A 46 9.505 1.211 4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.736 2.177 6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.058 1.696 6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.077 0.681 7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.620 0.948 5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.038 -0.598 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.313 -0.427 4.296 1.00 0.00 H new ATOM 660 N GLU A 47 8.228 -1.407 7.025 1.00 0.00 N ATOM 661 CA GLU A 47 8.336 -2.309 8.165 1.00 0.00 C ATOM 662 C GLU A 47 7.475 -3.552 7.960 1.00 0.00 C ATOM 663 O GLU A 47 7.957 -4.679 8.065 1.00 0.00 O ATOM 664 CB GLU A 47 7.919 -1.593 9.452 1.00 0.00 C ATOM 665 CG GLU A 47 8.856 -0.466 9.852 1.00 0.00 C ATOM 666 CD GLU A 47 8.338 0.332 11.033 1.00 0.00 C ATOM 667 OE1 GLU A 47 8.037 -0.282 12.077 1.00 0.00 O ATOM 668 OE2 GLU A 47 8.232 1.570 10.912 1.00 0.00 O ATOM 0 H GLU A 47 7.678 -0.567 7.203 1.00 0.00 H new ATOM 0 HA GLU A 47 9.377 -2.620 8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.914 -1.191 9.325 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.871 -2.320 10.263 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.833 -0.881 10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.999 0.201 9.002 1.00 0.00 H new ATOM 675 N SER A 48 6.196 -3.336 7.666 1.00 0.00 N ATOM 676 CA SER A 48 5.265 -4.438 7.450 1.00 0.00 C ATOM 677 C SER A 48 5.772 -5.370 6.354 1.00 0.00 C ATOM 678 O SER A 48 5.854 -6.583 6.544 1.00 0.00 O ATOM 679 CB SER A 48 3.883 -3.899 7.078 1.00 0.00 C ATOM 680 OG SER A 48 2.859 -4.620 7.742 1.00 0.00 O ATOM 0 H SER A 48 5.781 -2.409 7.572 1.00 0.00 H new ATOM 0 HA SER A 48 5.189 -5.005 8.378 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.818 -2.843 7.341 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.740 -3.968 6.000 1.00 0.00 H new ATOM 0 HG SER A 48 1.985 -4.255 7.489 1.00 0.00 H new ATOM 686 N GLY A 49 6.112 -4.793 5.205 1.00 0.00 N ATOM 687 CA GLY A 49 6.606 -5.586 4.095 1.00 0.00 C ATOM 688 C GLY A 49 7.902 -6.300 4.424 1.00 0.00 C ATOM 689 O GLY A 49 8.066 -7.480 4.112 1.00 0.00 O ATOM 0 H GLY A 49 6.054 -3.791 5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.852 -6.321 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.760 -4.940 3.231 1.00 0.00 H new ATOM 693 N LEU A 50 8.827 -5.583 5.054 1.00 0.00 N ATOM 694 CA LEU A 50 10.117 -6.155 5.424 1.00 0.00 C ATOM 695 C LEU A 50 9.933 -7.449 6.211 1.00 0.00 C ATOM 696 O LEU A 50 10.497 -8.484 5.860 1.00 0.00 O ATOM 697 CB LEU A 50 10.923 -5.152 6.251 1.00 0.00 C ATOM 698 CG LEU A 50 11.917 -5.748 7.247 1.00 0.00 C ATOM 699 CD1 LEU A 50 12.900 -6.666 6.537 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.657 -4.644 7.989 1.00 0.00 C ATOM 0 H LEU A 50 8.708 -4.605 5.319 1.00 0.00 H new ATOM 0 HA LEU A 50 10.662 -6.383 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.470 -4.504 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.225 -4.520 6.799 1.00 0.00 H new ATOM 0 HG LEU A 50 11.361 -6.338 7.975 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.600 -7.081 7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.356 -7.477 6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.450 -6.099 5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.360 -5.087 8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.201 -4.026 7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.941 -4.027 8.531 1.00 0.00 H new ATOM 712 N GLN A 51 9.140 -7.380 7.275 1.00 0.00 N ATOM 713 CA GLN A 51 8.881 -8.547 8.111 1.00 0.00 C ATOM 714 C GLN A 51 8.177 -9.641 7.315 1.00 0.00 C ATOM 715 O GLN A 51 8.261 -10.820 7.656 1.00 0.00 O ATOM 716 CB GLN A 51 8.033 -8.155 9.322 1.00 0.00 C ATOM 717 CG GLN A 51 8.634 -7.028 10.147 1.00 0.00 C ATOM 718 CD GLN A 51 9.315 -7.527 11.406 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.810 -7.340 12.514 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.468 -8.165 11.244 1.00 0.00 N ATOM 0 H GLN A 51 8.666 -6.529 7.579 1.00 0.00 H new ATOM 0 HA GLN A 51 9.839 -8.934 8.458 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.043 -7.855 8.980 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.899 -9.029 9.959 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.356 -6.483 9.539 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.849 -6.322 10.418 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.850 -8.298 10.308 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.972 -8.522 12.056 1.00 0.00 H new ATOM 729 N GLN A 52 7.483 -9.241 6.254 1.00 0.00 N ATOM 730 CA GLN A 52 6.763 -10.188 5.411 1.00 0.00 C ATOM 731 C GLN A 52 7.725 -10.948 4.503 1.00 0.00 C ATOM 732 O GLN A 52 7.440 -12.069 4.079 1.00 0.00 O ATOM 733 CB GLN A 52 5.715 -9.459 4.569 1.00 0.00 C ATOM 734 CG GLN A 52 4.284 -9.810 4.942 1.00 0.00 C ATOM 735 CD GLN A 52 4.043 -11.306 4.991 1.00 0.00 C ATOM 736 OE1 GLN A 52 3.910 -11.890 6.067 1.00 0.00 O ATOM 737 NE2 GLN A 52 3.985 -11.935 3.823 1.00 0.00 N ATOM 0 H GLN A 52 7.404 -8.268 5.958 1.00 0.00 H new ATOM 0 HA GLN A 52 6.261 -10.906 6.060 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.857 -8.384 4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.876 -9.697 3.518 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.049 -9.376 5.914 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.603 -9.360 4.219 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.101 -11.411 2.955 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.825 -12.942 3.793 1.00 0.00 H new ATOM 746 N LEU A 53 8.863 -10.330 4.207 1.00 0.00 N ATOM 747 CA LEU A 53 9.867 -10.948 3.347 1.00 0.00 C ATOM 748 C LEU A 53 10.609 -12.057 4.087 1.00 0.00 C ATOM 749 O LEU A 53 10.650 -13.201 3.633 1.00 0.00 O ATOM 750 CB LEU A 53 10.861 -9.896 2.853 1.00 0.00 C ATOM 751 CG LEU A 53 10.577 -9.299 1.474 1.00 0.00 C ATOM 752 CD1 LEU A 53 9.993 -10.353 0.547 1.00 0.00 C ATOM 753 CD2 LEU A 53 9.636 -8.109 1.592 1.00 0.00 C ATOM 0 H LEU A 53 9.114 -9.402 4.549 1.00 0.00 H new ATOM 0 HA LEU A 53 9.356 -11.387 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.891 -9.084 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.855 -10.344 2.835 1.00 0.00 H new ATOM 0 HG LEU A 53 11.518 -8.951 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.797 -9.910 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.701 -11.174 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.061 -10.731 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.445 -7.697 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.695 -8.432 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.093 -7.345 2.221 1.00 0.00 H new ATOM 765 N LEU A 54 11.192 -11.711 5.230 1.00 0.00 N ATOM 766 CA LEU A 54 11.931 -12.678 6.035 1.00 0.00 C ATOM 767 C LEU A 54 10.980 -13.544 6.854 1.00 0.00 C ATOM 768 O LEU A 54 11.406 -14.472 7.543 1.00 0.00 O ATOM 769 CB LEU A 54 12.909 -11.956 6.963 1.00 0.00 C ATOM 770 CG LEU A 54 12.412 -11.685 8.383 1.00 0.00 C ATOM 771 CD1 LEU A 54 10.966 -11.213 8.361 1.00 0.00 C ATOM 772 CD2 LEU A 54 12.555 -12.930 9.245 1.00 0.00 C ATOM 0 H LEU A 54 11.167 -10.769 5.620 1.00 0.00 H new ATOM 0 HA LEU A 54 12.491 -13.325 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.822 -12.547 7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.177 -11.004 6.505 1.00 0.00 H new ATOM 0 HG LEU A 54 13.025 -10.895 8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.629 -11.025 9.380 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.892 -10.294 7.779 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.339 -11.981 7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 54 12.196 -12.718 10.252 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.968 -13.741 8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.604 -13.225 9.288 1.00 0.00 H new ATOM 784 N ASP A 55 9.690 -13.236 6.774 1.00 0.00 N ATOM 785 CA ASP A 55 8.677 -13.988 7.506 1.00 0.00 C ATOM 786 C ASP A 55 8.881 -15.490 7.328 1.00 0.00 C ATOM 787 O ASP A 55 8.770 -16.015 6.222 1.00 0.00 O ATOM 788 CB ASP A 55 7.277 -13.592 7.035 1.00 0.00 C ATOM 789 CG ASP A 55 6.248 -14.671 7.307 1.00 0.00 C ATOM 790 OD1 ASP A 55 6.054 -15.022 8.490 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.635 -15.164 6.337 1.00 0.00 O ATOM 0 H ASP A 55 9.321 -12.471 6.210 1.00 0.00 H new ATOM 0 HA ASP A 55 8.777 -13.748 8.565 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.975 -12.672 7.535 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.303 -13.380 5.966 1.00 0.00 H new ATOM 796 N GLY A 56 9.183 -16.175 8.427 1.00 0.00 N ATOM 797 CA GLY A 56 9.399 -17.609 8.371 1.00 0.00 C ATOM 798 C GLY A 56 10.245 -18.114 9.523 1.00 0.00 C ATOM 799 O GLY A 56 10.210 -19.298 9.856 1.00 0.00 O ATOM 0 H GLY A 56 9.282 -15.763 9.355 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.436 -18.119 8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.885 -17.864 7.429 1.00 0.00 H new ATOM 803 N SER A 57 11.010 -17.213 10.132 1.00 0.00 N ATOM 804 CA SER A 57 11.874 -17.574 11.250 1.00 0.00 C ATOM 805 C SER A 57 11.501 -16.785 12.502 1.00 0.00 C ATOM 806 O SER A 57 11.485 -17.324 13.607 1.00 0.00 O ATOM 807 CB SER A 57 13.339 -17.322 10.892 1.00 0.00 C ATOM 808 OG SER A 57 13.497 -16.077 10.234 1.00 0.00 O ATOM 0 H SER A 57 11.049 -16.228 9.870 1.00 0.00 H new ATOM 0 HA SER A 57 11.736 -18.635 11.456 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.946 -17.338 11.797 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.703 -18.125 10.250 1.00 0.00 H new ATOM 0 HG SER A 57 14.443 -15.939 10.017 1.00 0.00 H new ATOM 814 N GLY A 58 11.200 -15.503 12.318 1.00 0.00 N ATOM 815 CA GLY A 58 10.831 -14.660 13.439 1.00 0.00 C ATOM 816 C GLY A 58 12.031 -13.992 14.082 1.00 0.00 C ATOM 817 O GLY A 58 12.708 -14.589 14.920 1.00 0.00 O ATOM 0 H GLY A 58 11.205 -15.034 11.412 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.132 -13.896 13.100 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.310 -15.260 14.185 1.00 0.00 H new ATOM 821 N LEU A 59 12.297 -12.752 13.688 1.00 0.00 N ATOM 822 CA LEU A 59 13.425 -12.002 14.230 1.00 0.00 C ATOM 823 C LEU A 59 13.014 -10.576 14.581 1.00 0.00 C ATOM 824 O LEU A 59 11.892 -10.157 14.298 1.00 0.00 O ATOM 825 CB LEU A 59 14.578 -11.979 13.224 1.00 0.00 C ATOM 826 CG LEU A 59 15.420 -13.253 13.140 1.00 0.00 C ATOM 827 CD1 LEU A 59 15.098 -14.022 11.868 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.903 -12.917 13.201 1.00 0.00 C ATOM 0 H LEU A 59 11.747 -12.244 12.995 1.00 0.00 H new ATOM 0 HA LEU A 59 13.755 -12.500 15.142 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.167 -11.773 12.236 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.237 -11.148 13.475 1.00 0.00 H new ATOM 0 HG LEU A 59 15.175 -13.885 13.994 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.706 -14.925 11.825 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.043 -14.295 11.865 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.314 -13.398 11.001 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.487 -13.835 13.140 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.163 -12.265 12.367 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.123 -12.409 14.140 1.00 0.00 H new ATOM 840 N GLN A 60 13.929 -9.836 15.197 1.00 0.00 N ATOM 841 CA GLN A 60 13.661 -8.456 15.585 1.00 0.00 C ATOM 842 C GLN A 60 14.444 -7.482 14.710 1.00 0.00 C ATOM 843 O GLN A 60 15.580 -7.755 14.322 1.00 0.00 O ATOM 844 CB GLN A 60 14.019 -8.239 17.056 1.00 0.00 C ATOM 845 CG GLN A 60 15.511 -8.090 17.304 1.00 0.00 C ATOM 846 CD GLN A 60 15.975 -8.836 18.539 1.00 0.00 C ATOM 847 OE1 GLN A 60 15.858 -8.339 19.659 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.506 -10.037 18.342 1.00 0.00 N ATOM 0 H GLN A 60 14.863 -10.168 15.438 1.00 0.00 H new ATOM 0 HA GLN A 60 12.597 -8.266 15.445 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.508 -7.347 17.418 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.644 -9.079 17.640 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.058 -8.457 16.436 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.754 -7.033 17.410 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.584 -10.411 17.396 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.836 -10.585 19.136 1.00 0.00 H new ATOM 857 N VAL A 61 13.828 -6.345 14.401 1.00 0.00 N ATOM 858 CA VAL A 61 14.468 -5.330 13.572 1.00 0.00 C ATOM 859 C VAL A 61 14.466 -3.973 14.267 1.00 0.00 C ATOM 860 O VAL A 61 13.410 -3.429 14.590 1.00 0.00 O ATOM 861 CB VAL A 61 13.766 -5.197 12.207 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.627 -4.399 11.240 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.444 -6.570 11.638 1.00 0.00 C ATOM 0 H VAL A 61 12.887 -6.104 14.712 1.00 0.00 H new ATOM 0 HA VAL A 61 15.497 -5.652 13.413 1.00 0.00 H new ATOM 0 HB VAL A 61 12.829 -4.659 12.350 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.115 -4.315 10.281 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.802 -3.403 11.646 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.581 -4.906 11.099 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.948 -6.457 10.674 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.367 -7.135 11.508 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.786 -7.103 12.324 1.00 0.00 H new ATOM 873 N LYS A 62 15.658 -3.430 14.493 1.00 0.00 N ATOM 874 CA LYS A 62 15.796 -2.134 15.148 1.00 0.00 C ATOM 875 C LYS A 62 16.737 -1.226 14.363 1.00 0.00 C ATOM 876 O LYS A 62 17.773 -1.656 13.855 1.00 0.00 O ATOM 877 CB LYS A 62 16.317 -2.315 16.576 1.00 0.00 C ATOM 878 CG LYS A 62 17.477 -3.289 16.681 1.00 0.00 C ATOM 879 CD LYS A 62 17.020 -4.647 17.189 1.00 0.00 C ATOM 880 CE LYS A 62 18.094 -5.316 18.034 1.00 0.00 C ATOM 881 NZ LYS A 62 18.249 -4.654 19.359 1.00 0.00 N ATOM 0 H LYS A 62 16.542 -3.867 14.232 1.00 0.00 H new ATOM 0 HA LYS A 62 14.813 -1.665 15.183 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.631 -1.346 16.965 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.502 -2.664 17.210 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.946 -3.404 15.704 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.234 -2.884 17.353 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.112 -4.529 17.780 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.769 -5.288 16.343 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.840 -6.366 18.180 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.045 -5.289 17.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.747 -5.294 20.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.798 -3.778 19.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.311 -4.428 19.746 1.00 0.00 H new ATOM 895 N PRO A 63 16.371 0.060 14.262 1.00 0.00 N ATOM 896 CA PRO A 63 17.171 1.056 13.542 1.00 0.00 C ATOM 897 C PRO A 63 18.475 1.382 14.261 1.00 0.00 C ATOM 898 O PRO A 63 18.619 1.122 15.456 1.00 0.00 O ATOM 899 CB PRO A 63 16.258 2.285 13.506 1.00 0.00 C ATOM 900 CG PRO A 63 15.358 2.122 14.682 1.00 0.00 C ATOM 901 CD PRO A 63 15.149 0.642 14.842 1.00 0.00 C ATOM 0 HA PRO A 63 17.472 0.702 12.556 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.834 3.208 13.573 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.691 2.330 12.576 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.805 2.552 15.578 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.410 2.635 14.522 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.029 0.364 15.889 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.255 0.304 14.318 1.00 0.00 H new ATOM 909 N LEU A 64 19.423 1.953 13.526 1.00 0.00 N ATOM 910 CA LEU A 64 20.717 2.316 14.095 1.00 0.00 C ATOM 911 C LEU A 64 20.924 3.827 14.056 1.00 0.00 C ATOM 912 O LEU A 64 21.160 4.458 15.086 1.00 0.00 O ATOM 913 CB LEU A 64 21.845 1.616 13.335 1.00 0.00 C ATOM 914 CG LEU A 64 21.511 0.239 12.758 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.649 -0.263 11.883 1.00 0.00 C ATOM 916 CD2 LEU A 64 21.219 -0.751 13.876 1.00 0.00 C ATOM 0 H LEU A 64 19.320 2.175 12.536 1.00 0.00 H new ATOM 0 HA LEU A 64 20.732 1.992 15.136 1.00 0.00 H new ATOM 0 HB2 LEU A 64 22.162 2.263 12.517 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.697 1.510 14.006 1.00 0.00 H new ATOM 0 HG LEU A 64 20.618 0.332 12.140 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.394 -1.244 11.481 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.811 0.435 11.061 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.559 -0.340 12.478 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.983 -1.725 13.447 1.00 0.00 H new ATOM 0 HD22 LEU A 64 22.093 -0.840 14.521 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.371 -0.398 14.462 1.00 0.00 H new ATOM 928 N GLY A 65 20.832 4.402 12.861 1.00 0.00 N ATOM 929 CA GLY A 65 21.010 5.834 12.711 1.00 0.00 C ATOM 930 C GLY A 65 19.820 6.500 12.047 1.00 0.00 C ATOM 931 O GLY A 65 18.727 6.536 12.611 1.00 0.00 O ATOM 0 H GLY A 65 20.637 3.901 11.994 1.00 0.00 H new ATOM 0 HA2 GLY A 65 21.173 6.281 13.692 1.00 0.00 H new ATOM 0 HA3 GLY A 65 21.906 6.026 12.121 1.00 0.00 H new ATOM 935 N ASN A 66 20.034 7.029 10.847 1.00 0.00 N ATOM 936 CA ASN A 66 18.971 7.699 10.107 1.00 0.00 C ATOM 937 C ASN A 66 17.841 6.728 9.779 1.00 0.00 C ATOM 938 O ASN A 66 16.830 6.677 10.477 1.00 0.00 O ATOM 939 CB ASN A 66 19.524 8.310 8.818 1.00 0.00 C ATOM 940 CG ASN A 66 18.453 9.008 8.003 1.00 0.00 C ATOM 941 OD1 ASN A 66 17.955 10.066 8.388 1.00 0.00 O ATOM 942 ND2 ASN A 66 18.094 8.418 6.869 1.00 0.00 N ATOM 0 H ASN A 66 20.933 7.007 10.366 1.00 0.00 H new ATOM 0 HA ASN A 66 18.571 8.495 10.735 1.00 0.00 H new ATOM 0 HB2 ASN A 66 20.311 9.023 9.065 1.00 0.00 H new ATOM 0 HB3 ASN A 66 19.982 7.526 8.215 1.00 0.00 H new ATOM 0 HD21 ASN A 66 17.379 8.842 6.278 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.534 7.541 6.589 1.00 0.00 H new ATOM 949 N ASN A 67 18.022 5.958 8.710 1.00 0.00 N ATOM 950 CA ASN A 67 17.018 4.988 8.288 1.00 0.00 C ATOM 951 C ASN A 67 17.644 3.612 8.082 1.00 0.00 C ATOM 952 O ASN A 67 17.177 2.823 7.261 1.00 0.00 O ATOM 953 CB ASN A 67 16.341 5.452 6.997 1.00 0.00 C ATOM 954 CG ASN A 67 14.836 5.274 7.037 1.00 0.00 C ATOM 955 OD1 ASN A 67 14.081 6.227 6.840 1.00 0.00 O ATOM 956 ND2 ASN A 67 14.391 4.050 7.295 1.00 0.00 N ATOM 0 H ASN A 67 18.854 5.987 8.121 1.00 0.00 H new ATOM 0 HA ASN A 67 16.268 4.912 9.076 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.575 6.502 6.824 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.748 4.892 6.155 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.388 3.870 7.336 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.052 3.289 7.452 1.00 0.00 H new ATOM 963 N SER A 68 18.705 3.332 8.833 1.00 0.00 N ATOM 964 CA SER A 68 19.397 2.053 8.730 1.00 0.00 C ATOM 965 C SER A 68 18.874 1.066 9.769 1.00 0.00 C ATOM 966 O SER A 68 18.960 1.312 10.972 1.00 0.00 O ATOM 967 CB SER A 68 20.904 2.249 8.910 1.00 0.00 C ATOM 968 OG SER A 68 21.248 3.623 8.871 1.00 0.00 O ATOM 0 H SER A 68 19.103 3.973 9.519 1.00 0.00 H new ATOM 0 HA SER A 68 19.206 1.644 7.738 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.219 1.819 9.861 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.440 1.714 8.126 1.00 0.00 H new ATOM 0 HG SER A 68 22.216 3.721 8.990 1.00 0.00 H new ATOM 974 N TRP A 69 18.332 -0.050 9.296 1.00 0.00 N ATOM 975 CA TRP A 69 17.794 -1.074 10.184 1.00 0.00 C ATOM 976 C TRP A 69 18.643 -2.340 10.131 1.00 0.00 C ATOM 977 O TRP A 69 19.313 -2.610 9.134 1.00 0.00 O ATOM 978 CB TRP A 69 16.348 -1.399 9.804 1.00 0.00 C ATOM 979 CG TRP A 69 15.435 -0.213 9.877 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.579 0.974 9.218 1.00 0.00 C ATOM 981 CD2 TRP A 69 14.237 -0.100 10.654 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.543 1.819 9.538 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.706 1.183 10.417 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.561 -0.958 11.526 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.533 1.626 11.021 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.397 -0.517 12.125 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.892 0.765 11.870 1.00 0.00 C ATOM 0 H TRP A 69 18.253 -0.269 8.303 1.00 0.00 H new ATOM 0 HA TRP A 69 17.816 -0.686 11.202 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.328 -1.803 8.792 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.972 -2.179 10.466 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.388 1.214 8.544 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.418 2.766 9.179 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.942 -1.948 11.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 12.143 2.614 10.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.867 -1.171 12.801 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.979 1.080 12.353 1.00 0.00 H new ATOM 998 N THR A 70 18.610 -3.115 11.211 1.00 0.00 N ATOM 999 CA THR A 70 19.377 -4.352 11.288 1.00 0.00 C ATOM 1000 C THR A 70 18.545 -5.477 11.892 1.00 0.00 C ATOM 1001 O THR A 70 17.592 -5.231 12.633 1.00 0.00 O ATOM 1002 CB THR A 70 20.656 -4.168 12.126 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.439 -5.366 12.094 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.314 -3.818 13.567 1.00 0.00 C ATOM 0 H THR A 70 18.060 -2.907 12.045 1.00 0.00 H new ATOM 0 HA THR A 70 19.655 -4.616 10.268 1.00 0.00 H new ATOM 0 HB THR A 70 21.230 -3.347 11.696 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.589 -5.634 11.163 1.00 0.00 H new ATOM 0 HG21 THR A 70 21.233 -3.693 14.139 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.743 -2.890 13.590 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.720 -4.620 14.005 1.00 0.00 H new ATOM 1012 N LEU A 71 18.911 -6.714 11.572 1.00 0.00 N ATOM 1013 CA LEU A 71 18.198 -7.879 12.084 1.00 0.00 C ATOM 1014 C LEU A 71 19.012 -8.584 13.164 1.00 0.00 C ATOM 1015 O LEU A 71 20.242 -8.561 13.141 1.00 0.00 O ATOM 1016 CB LEU A 71 17.888 -8.853 10.946 1.00 0.00 C ATOM 1017 CG LEU A 71 16.471 -8.790 10.375 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.465 -9.315 11.387 1.00 0.00 C ATOM 1019 CD2 LEU A 71 16.124 -7.366 9.965 1.00 0.00 C ATOM 0 H LEU A 71 19.697 -6.936 10.961 1.00 0.00 H new ATOM 0 HA LEU A 71 17.262 -7.536 12.526 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.593 -8.669 10.135 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.070 -9.867 11.303 1.00 0.00 H new ATOM 0 HG LEU A 71 16.428 -9.423 9.488 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.462 -9.263 10.964 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.702 -10.350 11.632 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.509 -8.709 12.292 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.112 -7.340 9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.184 -6.712 10.835 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.827 -7.025 9.205 1.00 0.00 H new ATOM 1031 N GLU A 72 18.317 -9.211 14.108 1.00 0.00 N ATOM 1032 CA GLU A 72 18.977 -9.924 15.195 1.00 0.00 C ATOM 1033 C GLU A 72 18.123 -11.094 15.676 1.00 0.00 C ATOM 1034 O GLU A 72 16.908 -11.129 15.483 1.00 0.00 O ATOM 1035 CB GLU A 72 19.260 -8.973 16.360 1.00 0.00 C ATOM 1036 CG GLU A 72 20.548 -8.183 16.202 1.00 0.00 C ATOM 1037 CD GLU A 72 21.771 -9.075 16.108 1.00 0.00 C ATOM 1038 OE1 GLU A 72 22.308 -9.458 17.168 1.00 0.00 O ATOM 1039 OE2 GLU A 72 22.191 -9.389 14.975 1.00 0.00 O ATOM 0 H GLU A 72 17.298 -9.240 14.142 1.00 0.00 H new ATOM 0 HA GLU A 72 19.921 -10.317 14.817 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.427 -8.277 16.460 1.00 0.00 H new ATOM 0 HB3 GLU A 72 19.308 -9.549 17.284 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.484 -7.565 15.306 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.661 -7.506 17.049 1.00 0.00 H new