USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 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 23 GLN : amide:sc= -2.81 K(o=-3.6,f=-2) USER MOD Set 1.2: A 36 GLN : amide:sc= -0.757 K(o=-3.6,f=-2) USER MOD Single : A 1 ASN : amide:sc= -0.034 X(o=-0.034,f=-0.25) USER MOD Single : A 1 ASN N :NH3+ -127:sc= 0.0548 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -103:sc= 0 (180deg=-0.898) USER MOD Single : A 8 GLN : amide:sc= -1.04 K(o=-1,f=-3.4!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.496) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 65:sc= 0.723 USER MOD Single : A 35 TYR OH : rot 177:sc= -1.78! USER MOD Single : A 37 GLN : amide:sc= -0.0642 K(o=-0.064,f=-1.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -6.72! (180deg=-7.8!) USER MOD Single : A 48 GLN : amide:sc= -2.09 K(o=-2.1,f=-0.12) USER MOD Single : A 49 MET CE :methyl -163:sc= -3.08! (180deg=-3.92!) USER MOD Single : A 50 TYR OH : rot -5:sc= 0.911 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 57 THR OG1 : rot -160:sc= -3.39! USER MOD Single : A 60 ASN : amide:sc= -0.216 K(o=-0.22,f=-10!) USER MOD Single : A 62 THR OG1 : rot 90:sc= -0.775 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.3!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -21.148 -8.609 2.086 1.00 0.00 N ATOM 2 CA ASN A 1 -19.822 -9.281 2.040 1.00 0.00 C ATOM 3 C ASN A 1 -18.705 -8.323 2.437 1.00 0.00 C ATOM 4 O ASN A 1 -18.961 -7.190 2.846 1.00 0.00 O ATOM 5 CB ASN A 1 -19.591 -9.802 0.620 1.00 0.00 C ATOM 6 CG ASN A 1 -20.053 -11.235 0.448 1.00 0.00 C ATOM 7 OD1 ASN A 1 -19.735 -12.104 1.261 1.00 0.00 O ATOM 8 ND2 ASN A 1 -20.807 -11.492 -0.615 1.00 0.00 N ATOM 0 H1 ASN A 1 -21.800 -9.167 2.674 1.00 0.00 H new ATOM 0 H2 ASN A 1 -21.041 -7.658 2.494 1.00 0.00 H new ATOM 0 H3 ASN A 1 -21.531 -8.531 1.122 1.00 0.00 H new ATOM 0 HA ASN A 1 -19.813 -10.107 2.751 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -20.121 -9.165 -0.088 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -18.530 -9.734 0.379 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -21.146 -12.439 -0.783 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -21.047 -10.742 -1.263 1.00 0.00 H new ATOM 16 N LYS A 2 -17.464 -8.785 2.316 1.00 0.00 N ATOM 17 CA LYS A 2 -16.308 -7.969 2.663 1.00 0.00 C ATOM 18 C LYS A 2 -15.182 -8.164 1.652 1.00 0.00 C ATOM 19 O LYS A 2 -14.839 -9.293 1.301 1.00 0.00 O ATOM 20 CB LYS A 2 -15.813 -8.319 4.068 1.00 0.00 C ATOM 21 CG LYS A 2 -16.526 -7.552 5.171 1.00 0.00 C ATOM 22 CD LYS A 2 -15.733 -6.328 5.599 1.00 0.00 C ATOM 23 CE LYS A 2 -16.260 -5.064 4.939 1.00 0.00 C ATOM 24 NZ LYS A 2 -15.464 -4.690 3.737 1.00 0.00 N ATOM 0 H LYS A 2 -17.234 -9.720 1.980 1.00 0.00 H new ATOM 0 HA LYS A 2 -16.614 -6.923 2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.946 -9.388 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.744 -8.117 4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -17.512 -7.245 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.680 -8.206 6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.783 -6.222 6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.683 -6.464 5.340 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.301 -5.211 4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.240 -4.244 5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.830 -3.900 3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.900 -5.507 3.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.106 -4.401 2.971 1.00 0.00 H new ATOM 38 N GLU A 3 -14.610 -7.057 1.190 1.00 0.00 N ATOM 39 CA GLU A 3 -13.522 -7.106 0.220 1.00 0.00 C ATOM 40 C GLU A 3 -12.326 -7.867 0.782 1.00 0.00 C ATOM 41 O GLU A 3 -11.730 -8.699 0.098 1.00 0.00 O ATOM 42 CB GLU A 3 -13.100 -5.690 -0.176 1.00 0.00 C ATOM 43 CG GLU A 3 -13.905 -5.116 -1.331 1.00 0.00 C ATOM 44 CD GLU A 3 -13.566 -5.765 -2.658 1.00 0.00 C ATOM 45 OE1 GLU A 3 -13.056 -6.906 -2.648 1.00 0.00 O ATOM 46 OE2 GLU A 3 -13.808 -5.132 -3.707 1.00 0.00 O ATOM 0 H GLU A 3 -14.882 -6.115 1.472 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.881 -7.632 -0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.202 -5.034 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.044 -5.697 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.968 -5.246 -1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.723 -4.043 -1.398 1.00 0.00 H new ATOM 53 N LEU A 4 -11.981 -7.577 2.032 1.00 0.00 N ATOM 54 CA LEU A 4 -10.856 -8.235 2.687 1.00 0.00 C ATOM 55 C LEU A 4 -11.194 -8.584 4.134 1.00 0.00 C ATOM 56 O LEU A 4 -11.472 -9.739 4.456 1.00 0.00 O ATOM 57 CB LEU A 4 -9.609 -7.341 2.642 1.00 0.00 C ATOM 58 CG LEU A 4 -9.882 -5.832 2.669 1.00 0.00 C ATOM 59 CD1 LEU A 4 -9.109 -5.165 3.799 1.00 0.00 C ATOM 60 CD2 LEU A 4 -9.523 -5.200 1.333 1.00 0.00 C ATOM 0 H LEU A 4 -12.464 -6.891 2.612 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.649 -9.159 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.971 -7.593 3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.047 -7.576 1.738 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.947 -5.681 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.317 -4.095 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.415 -5.595 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.041 -5.327 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.724 -4.129 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.466 -5.364 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.122 -5.653 0.543 1.00 0.00 H new ATOM 72 N ASP A 5 -11.166 -7.577 5.001 1.00 0.00 N ATOM 73 CA ASP A 5 -11.466 -7.766 6.416 1.00 0.00 C ATOM 74 C ASP A 5 -11.191 -6.481 7.192 1.00 0.00 C ATOM 75 O ASP A 5 -10.688 -5.508 6.632 1.00 0.00 O ATOM 76 CB ASP A 5 -10.635 -8.917 6.992 1.00 0.00 C ATOM 77 CG ASP A 5 -11.493 -10.091 7.424 1.00 0.00 C ATOM 78 OD1 ASP A 5 -12.412 -10.464 6.666 1.00 0.00 O ATOM 79 OD2 ASP A 5 -11.245 -10.635 8.520 1.00 0.00 O ATOM 0 H ASP A 5 -10.937 -6.616 4.746 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.522 -8.017 6.513 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.916 -9.252 6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.062 -8.556 7.846 1.00 0.00 H new ATOM 84 N PRO A 6 -11.515 -6.456 8.495 1.00 0.00 N ATOM 85 CA PRO A 6 -11.297 -5.280 9.338 1.00 0.00 C ATOM 86 C PRO A 6 -9.857 -5.176 9.835 1.00 0.00 C ATOM 87 O PRO A 6 -9.616 -4.962 11.023 1.00 0.00 O ATOM 88 CB PRO A 6 -12.250 -5.521 10.505 1.00 0.00 C ATOM 89 CG PRO A 6 -12.310 -7.004 10.639 1.00 0.00 C ATOM 90 CD PRO A 6 -12.122 -7.570 9.252 1.00 0.00 C ATOM 0 HA PRO A 6 -11.474 -4.348 8.802 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.883 -5.055 11.419 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.236 -5.100 10.306 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.533 -7.364 11.313 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.266 -7.317 11.059 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.474 -8.446 9.262 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.071 -7.880 8.815 1.00 0.00 H new ATOM 98 N VAL A 7 -8.903 -5.322 8.919 1.00 0.00 N ATOM 99 CA VAL A 7 -7.489 -5.240 9.265 1.00 0.00 C ATOM 100 C VAL A 7 -6.640 -4.966 8.030 1.00 0.00 C ATOM 101 O VAL A 7 -5.812 -4.056 8.024 1.00 0.00 O ATOM 102 CB VAL A 7 -6.991 -6.532 9.940 1.00 0.00 C ATOM 103 CG1 VAL A 7 -7.466 -6.602 11.383 1.00 0.00 C ATOM 104 CG2 VAL A 7 -7.451 -7.755 9.160 1.00 0.00 C ATOM 0 H VAL A 7 -9.085 -5.498 7.931 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.386 -4.414 9.969 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.901 -6.519 9.942 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.103 -7.522 11.841 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.080 -5.745 11.935 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.556 -6.589 11.408 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.089 -8.658 9.652 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.540 -7.774 9.122 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.053 -7.711 8.146 1.00 0.00 H new ATOM 114 N GLN A 8 -6.853 -5.756 6.981 1.00 0.00 N ATOM 115 CA GLN A 8 -6.107 -5.590 5.739 1.00 0.00 C ATOM 116 C GLN A 8 -6.298 -4.181 5.186 1.00 0.00 C ATOM 117 O GLN A 8 -5.420 -3.643 4.512 1.00 0.00 O ATOM 118 CB GLN A 8 -6.552 -6.628 4.707 1.00 0.00 C ATOM 119 CG GLN A 8 -5.763 -7.925 4.770 1.00 0.00 C ATOM 120 CD GLN A 8 -5.934 -8.772 3.524 1.00 0.00 C ATOM 121 OE1 GLN A 8 -5.508 -8.388 2.435 1.00 0.00 O ATOM 122 NE2 GLN A 8 -6.562 -9.932 3.679 1.00 0.00 N ATOM 0 H GLN A 8 -7.534 -6.515 6.967 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.048 -5.740 5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.609 -6.848 4.857 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.454 -6.201 3.709 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.706 -7.697 4.908 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.081 -8.498 5.641 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.899 -10.211 4.601 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.708 -10.544 2.876 1.00 0.00 H new ATOM 131 N LYS A 9 -7.450 -3.586 5.484 1.00 0.00 N ATOM 132 CA LYS A 9 -7.755 -2.235 5.027 1.00 0.00 C ATOM 133 C LYS A 9 -6.803 -1.233 5.668 1.00 0.00 C ATOM 134 O LYS A 9 -6.165 -0.438 4.979 1.00 0.00 O ATOM 135 CB LYS A 9 -9.204 -1.874 5.366 1.00 0.00 C ATOM 136 CG LYS A 9 -10.096 -1.714 4.145 1.00 0.00 C ATOM 137 CD LYS A 9 -11.037 -0.529 4.294 1.00 0.00 C ATOM 138 CE LYS A 9 -11.854 -0.305 3.033 1.00 0.00 C ATOM 139 NZ LYS A 9 -12.992 -1.258 2.930 1.00 0.00 N ATOM 0 H LYS A 9 -8.187 -4.019 6.040 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.628 -2.198 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.621 -2.648 6.010 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.214 -0.945 5.936 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.478 -1.580 3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.676 -2.624 3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.707 -0.698 5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.461 0.368 4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.234 0.716 3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.210 -0.413 2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.523 -1.071 2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.628 -2.232 2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.621 -1.138 3.750 1.00 0.00 H new ATOM 153 N LEU A 10 -6.705 -1.287 6.993 1.00 0.00 N ATOM 154 CA LEU A 10 -5.821 -0.394 7.734 1.00 0.00 C ATOM 155 C LEU A 10 -4.399 -0.492 7.193 1.00 0.00 C ATOM 156 O LEU A 10 -3.648 0.483 7.204 1.00 0.00 O ATOM 157 CB LEU A 10 -5.850 -0.745 9.226 1.00 0.00 C ATOM 158 CG LEU A 10 -4.784 -0.064 10.094 1.00 0.00 C ATOM 159 CD1 LEU A 10 -3.449 -0.784 9.968 1.00 0.00 C ATOM 160 CD2 LEU A 10 -4.638 1.407 9.721 1.00 0.00 C ATOM 0 H LEU A 10 -7.228 -1.941 7.576 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.170 0.631 7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.832 -0.487 9.621 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.739 -1.825 9.328 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.108 -0.120 11.133 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.707 -0.286 10.591 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.561 -1.818 10.294 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.122 -0.765 8.928 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.877 1.868 10.350 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.343 1.490 8.675 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.590 1.917 9.871 1.00 0.00 H new ATOM 172 N PHE A 11 -4.042 -1.679 6.716 1.00 0.00 N ATOM 173 CA PHE A 11 -2.716 -1.913 6.163 1.00 0.00 C ATOM 174 C PHE A 11 -2.502 -1.081 4.909 1.00 0.00 C ATOM 175 O PHE A 11 -1.566 -0.287 4.836 1.00 0.00 O ATOM 176 CB PHE A 11 -2.533 -3.398 5.845 1.00 0.00 C ATOM 177 CG PHE A 11 -1.122 -3.883 6.011 1.00 0.00 C ATOM 178 CD1 PHE A 11 -0.054 -3.127 5.552 1.00 0.00 C ATOM 179 CD2 PHE A 11 -0.863 -5.098 6.624 1.00 0.00 C ATOM 180 CE1 PHE A 11 1.243 -3.575 5.700 1.00 0.00 C ATOM 181 CE2 PHE A 11 0.434 -5.551 6.775 1.00 0.00 C ATOM 182 CZ PHE A 11 1.488 -4.788 6.314 1.00 0.00 C ATOM 0 H PHE A 11 -4.654 -2.495 6.702 1.00 0.00 H new ATOM 0 HA PHE A 11 -1.976 -1.614 6.906 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.187 -3.982 6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.853 -3.583 4.819 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.239 -2.177 5.073 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.684 -5.698 6.988 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.066 -2.978 5.336 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.623 -6.501 7.253 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.502 -5.139 6.433 1.00 0.00 H new ATOM 192 N VAL A 12 -3.380 -1.255 3.924 1.00 0.00 N ATOM 193 CA VAL A 12 -3.278 -0.502 2.680 1.00 0.00 C ATOM 194 C VAL A 12 -3.235 0.993 2.964 1.00 0.00 C ATOM 195 O VAL A 12 -2.630 1.762 2.217 1.00 0.00 O ATOM 196 CB VAL A 12 -4.454 -0.804 1.730 1.00 0.00 C ATOM 197 CG1 VAL A 12 -4.168 -0.258 0.339 1.00 0.00 C ATOM 198 CG2 VAL A 12 -4.740 -2.299 1.679 1.00 0.00 C ATOM 0 H VAL A 12 -4.164 -1.906 3.964 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.353 -0.812 2.193 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.343 -0.306 2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.008 -0.480 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.025 0.821 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.265 -0.724 -0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.574 -2.487 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.856 -2.827 1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.996 -2.655 2.677 1.00 0.00 H new ATOM 208 N ASP A 13 -3.869 1.394 4.061 1.00 0.00 N ATOM 209 CA ASP A 13 -3.889 2.794 4.456 1.00 0.00 C ATOM 210 C ASP A 13 -2.766 3.085 5.447 1.00 0.00 C ATOM 211 O ASP A 13 -2.759 4.127 6.104 1.00 0.00 O ATOM 212 CB ASP A 13 -5.242 3.158 5.071 1.00 0.00 C ATOM 213 CG ASP A 13 -5.690 4.556 4.692 1.00 0.00 C ATOM 214 OD1 ASP A 13 -4.817 5.404 4.409 1.00 0.00 O ATOM 215 OD2 ASP A 13 -6.914 4.804 4.678 1.00 0.00 O ATOM 0 H ASP A 13 -4.374 0.769 4.690 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.735 3.403 3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.992 2.438 4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.177 3.081 6.156 1.00 0.00 H new ATOM 220 N LYS A 14 -1.806 2.168 5.535 1.00 0.00 N ATOM 221 CA LYS A 14 -0.670 2.331 6.421 1.00 0.00 C ATOM 222 C LYS A 14 0.593 2.311 5.597 1.00 0.00 C ATOM 223 O LYS A 14 1.518 3.087 5.836 1.00 0.00 O ATOM 224 CB LYS A 14 -0.642 1.231 7.483 1.00 0.00 C ATOM 225 CG LYS A 14 0.354 1.486 8.602 1.00 0.00 C ATOM 226 CD LYS A 14 1.646 0.716 8.384 1.00 0.00 C ATOM 227 CE LYS A 14 2.855 1.518 8.835 1.00 0.00 C ATOM 228 NZ LYS A 14 2.641 2.149 10.166 1.00 0.00 N ATOM 0 H LYS A 14 -1.798 1.301 4.998 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.751 3.284 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.639 1.128 7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.401 0.282 7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.571 2.553 8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.087 1.196 9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.607 -0.225 8.933 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.748 0.465 7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.727 0.865 8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.073 2.291 8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.560 2.313 10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.148 3.057 10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.065 1.519 10.760 1.00 0.00 H new ATOM 242 N ILE A 15 0.609 1.453 4.585 1.00 0.00 N ATOM 243 CA ILE A 15 1.747 1.397 3.704 1.00 0.00 C ATOM 244 C ILE A 15 1.628 2.506 2.662 1.00 0.00 C ATOM 245 O ILE A 15 2.563 2.795 1.922 1.00 0.00 O ATOM 246 CB ILE A 15 1.921 0.030 3.020 1.00 0.00 C ATOM 247 CG1 ILE A 15 0.593 -0.528 2.531 1.00 0.00 C ATOM 248 CG2 ILE A 15 2.587 -0.949 3.972 1.00 0.00 C ATOM 249 CD1 ILE A 15 0.764 -1.852 1.838 1.00 0.00 C ATOM 0 H ILE A 15 -0.143 0.801 4.364 1.00 0.00 H new ATOM 0 HA ILE A 15 2.639 1.542 4.313 1.00 0.00 H new ATOM 0 HB ILE A 15 2.558 0.173 2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.085 -0.645 3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.130 0.183 1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.705 -1.913 3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.566 -0.567 4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.968 -1.070 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.208 -2.216 1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.421 -1.730 0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.203 -2.571 2.530 1.00 0.00 H new ATOM 261 N ARG A 16 0.486 3.171 2.643 1.00 0.00 N ATOM 262 CA ARG A 16 0.302 4.282 1.738 1.00 0.00 C ATOM 263 C ARG A 16 0.690 5.560 2.462 1.00 0.00 C ATOM 264 O ARG A 16 0.572 6.658 1.919 1.00 0.00 O ATOM 265 CB ARG A 16 -1.142 4.356 1.241 1.00 0.00 C ATOM 266 CG ARG A 16 -1.325 5.264 0.035 1.00 0.00 C ATOM 267 CD ARG A 16 -2.730 5.838 -0.022 1.00 0.00 C ATOM 268 NE ARG A 16 -2.747 7.191 -0.574 1.00 0.00 N ATOM 269 CZ ARG A 16 -2.412 8.278 0.117 1.00 0.00 C ATOM 270 NH1 ARG A 16 -2.034 8.177 1.385 1.00 0.00 N ATOM 271 NH2 ARG A 16 -2.454 9.470 -0.462 1.00 0.00 N ATOM 0 H ARG A 16 -0.316 2.962 3.237 1.00 0.00 H new ATOM 0 HA ARG A 16 0.935 4.146 0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.481 3.352 0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.779 4.710 2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.600 6.077 0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.123 4.704 -0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.362 5.190 -0.630 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.158 5.850 0.981 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.032 7.309 -1.546 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.999 7.263 1.835 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.778 9.014 1.909 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.743 9.554 -1.437 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.197 10.303 0.067 1.00 0.00 H new ATOM 285 N GLU A 17 1.155 5.402 3.709 1.00 0.00 N ATOM 286 CA GLU A 17 1.563 6.529 4.522 1.00 0.00 C ATOM 287 C GLU A 17 3.081 6.552 4.719 1.00 0.00 C ATOM 288 O GLU A 17 3.666 7.604 4.975 1.00 0.00 O ATOM 289 CB GLU A 17 0.828 6.472 5.867 1.00 0.00 C ATOM 290 CG GLU A 17 1.732 6.497 7.093 1.00 0.00 C ATOM 291 CD GLU A 17 2.347 7.861 7.340 1.00 0.00 C ATOM 292 OE1 GLU A 17 1.608 8.866 7.269 1.00 0.00 O ATOM 293 OE2 GLU A 17 3.566 7.924 7.602 1.00 0.00 O ATOM 0 H GLU A 17 1.254 4.496 4.168 1.00 0.00 H new ATOM 0 HA GLU A 17 1.297 7.453 4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.139 7.315 5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.225 5.565 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.157 6.198 7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.527 5.762 6.968 1.00 0.00 H new ATOM 300 N TYR A 18 3.711 5.396 4.581 1.00 0.00 N ATOM 301 CA TYR A 18 5.158 5.297 4.727 1.00 0.00 C ATOM 302 C TYR A 18 5.836 5.341 3.355 1.00 0.00 C ATOM 303 O TYR A 18 6.980 5.778 3.236 1.00 0.00 O ATOM 304 CB TYR A 18 5.538 4.006 5.466 1.00 0.00 C ATOM 305 CG TYR A 18 5.588 2.813 4.550 1.00 0.00 C ATOM 306 CD1 TYR A 18 4.537 2.570 3.698 1.00 0.00 C ATOM 307 CD2 TYR A 18 6.678 1.956 4.509 1.00 0.00 C ATOM 308 CE1 TYR A 18 4.546 1.526 2.831 1.00 0.00 C ATOM 309 CE2 TYR A 18 6.703 0.890 3.630 1.00 0.00 C ATOM 310 CZ TYR A 18 5.630 0.678 2.787 1.00 0.00 C ATOM 311 OH TYR A 18 5.642 -0.380 1.907 1.00 0.00 O ATOM 0 H TYR A 18 3.246 4.514 4.368 1.00 0.00 H new ATOM 0 HA TYR A 18 5.503 6.147 5.315 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.510 4.136 5.942 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.816 3.820 6.261 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.681 3.228 3.719 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.515 2.124 5.170 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.703 1.360 2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.556 0.228 3.603 1.00 0.00 H new ATOM 0 HH TYR A 18 6.481 -0.877 2.005 1.00 0.00 H new ATOM 321 N ARG A 19 5.118 4.903 2.316 1.00 0.00 N ATOM 322 CA ARG A 19 5.659 4.922 0.964 1.00 0.00 C ATOM 323 C ARG A 19 5.452 6.300 0.368 1.00 0.00 C ATOM 324 O ARG A 19 6.251 6.779 -0.438 1.00 0.00 O ATOM 325 CB ARG A 19 4.985 3.860 0.092 1.00 0.00 C ATOM 326 CG ARG A 19 5.851 2.636 -0.157 1.00 0.00 C ATOM 327 CD ARG A 19 5.473 1.938 -1.454 1.00 0.00 C ATOM 328 NE ARG A 19 6.645 1.636 -2.273 1.00 0.00 N ATOM 329 CZ ARG A 19 6.595 1.396 -3.581 1.00 0.00 C ATOM 330 NH1 ARG A 19 5.434 1.418 -4.223 1.00 0.00 N ATOM 331 NH2 ARG A 19 7.710 1.134 -4.249 1.00 0.00 N ATOM 0 H ARG A 19 4.170 4.535 2.389 1.00 0.00 H new ATOM 0 HA ARG A 19 6.724 4.695 1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.056 3.546 0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.717 4.306 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.899 2.933 -0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.746 1.940 0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.941 1.014 -1.227 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.788 2.570 -2.020 1.00 0.00 H new ATOM 0 HE ARG A 19 7.556 1.607 -1.815 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.573 1.620 -3.714 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.402 1.233 -5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.605 1.116 -3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.673 0.950 -5.252 1.00 0.00 H new ATOM 345 N THR A 20 4.375 6.941 0.800 1.00 0.00 N ATOM 346 CA THR A 20 4.039 8.280 0.355 1.00 0.00 C ATOM 347 C THR A 20 5.172 9.243 0.695 1.00 0.00 C ATOM 348 O THR A 20 5.485 10.150 -0.075 1.00 0.00 O ATOM 349 CB THR A 20 2.755 8.724 1.046 1.00 0.00 C ATOM 350 OG1 THR A 20 2.629 10.136 1.047 1.00 0.00 O ATOM 351 CG2 THR A 20 2.694 8.246 2.471 1.00 0.00 C ATOM 0 H THR A 20 3.713 6.546 1.467 1.00 0.00 H new ATOM 0 HA THR A 20 3.894 8.281 -0.725 1.00 0.00 H new ATOM 0 HB THR A 20 1.937 8.280 0.479 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.795 10.390 1.496 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.764 8.583 2.928 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.735 7.157 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.539 8.651 3.027 1.00 0.00 H new ATOM 359 N LYS A 21 5.787 9.031 1.859 1.00 0.00 N ATOM 360 CA LYS A 21 6.889 9.876 2.304 1.00 0.00 C ATOM 361 C LYS A 21 8.056 9.798 1.328 1.00 0.00 C ATOM 362 O LYS A 21 8.463 10.806 0.748 1.00 0.00 O ATOM 363 CB LYS A 21 7.346 9.459 3.703 1.00 0.00 C ATOM 364 CG LYS A 21 7.685 10.632 4.608 1.00 0.00 C ATOM 365 CD LYS A 21 6.590 10.882 5.633 1.00 0.00 C ATOM 366 CE LYS A 21 5.269 11.224 4.966 1.00 0.00 C ATOM 367 NZ LYS A 21 5.030 12.693 4.925 1.00 0.00 N ATOM 0 H LYS A 21 5.540 8.283 2.507 1.00 0.00 H new ATOM 0 HA LYS A 21 6.536 10.907 2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.560 8.865 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.221 8.815 3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.627 10.436 5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.831 11.528 4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.465 9.997 6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.887 11.697 6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.262 10.827 3.951 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.455 10.739 5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.118 12.884 4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.011 13.069 5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.793 13.154 4.390 1.00 0.00 H new ATOM 381 N ARG A 22 8.589 8.594 1.146 1.00 0.00 N ATOM 382 CA ARG A 22 9.706 8.384 0.234 1.00 0.00 C ATOM 383 C ARG A 22 9.283 8.652 -1.206 1.00 0.00 C ATOM 384 O ARG A 22 10.100 9.035 -2.044 1.00 0.00 O ATOM 385 CB ARG A 22 10.239 6.956 0.365 1.00 0.00 C ATOM 386 CG ARG A 22 10.614 6.574 1.788 1.00 0.00 C ATOM 387 CD ARG A 22 11.085 5.131 1.872 1.00 0.00 C ATOM 388 NE ARG A 22 12.007 4.920 2.986 1.00 0.00 N ATOM 389 CZ ARG A 22 12.525 3.737 3.305 1.00 0.00 C ATOM 390 NH1 ARG A 22 12.215 2.657 2.599 1.00 0.00 N ATOM 391 NH2 ARG A 22 13.355 3.633 4.333 1.00 0.00 N ATOM 0 H ARG A 22 8.265 7.750 1.618 1.00 0.00 H new ATOM 0 HA ARG A 22 10.499 9.083 0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.484 6.260 -0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.114 6.844 -0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.401 7.236 2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.754 6.716 2.443 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.223 4.474 1.986 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.575 4.855 0.938 1.00 0.00 H new ATOM 0 HE ARG A 22 12.269 5.727 3.552 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.576 2.731 1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.615 1.753 2.848 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.596 4.460 4.879 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.752 2.726 4.578 1.00 0.00 H new ATOM 405 N GLN A 23 7.999 8.452 -1.485 1.00 0.00 N ATOM 406 CA GLN A 23 7.461 8.674 -2.821 1.00 0.00 C ATOM 407 C GLN A 23 7.620 10.135 -3.233 1.00 0.00 C ATOM 408 O GLN A 23 8.220 10.439 -4.264 1.00 0.00 O ATOM 409 CB GLN A 23 5.984 8.266 -2.864 1.00 0.00 C ATOM 410 CG GLN A 23 5.253 8.721 -4.117 1.00 0.00 C ATOM 411 CD GLN A 23 4.722 10.137 -4.000 1.00 0.00 C ATOM 412 OE1 GLN A 23 4.973 10.980 -4.862 1.00 0.00 O ATOM 413 NE2 GLN A 23 3.983 10.407 -2.929 1.00 0.00 N ATOM 0 H GLN A 23 7.311 8.136 -0.802 1.00 0.00 H new ATOM 0 HA GLN A 23 8.020 8.060 -3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.915 7.181 -2.790 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.478 8.678 -1.991 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.929 8.660 -4.970 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.425 8.041 -4.317 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.800 9.678 -2.239 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.599 11.343 -2.797 1.00 0.00 H new ATOM 422 N THR A 24 7.079 11.036 -2.419 1.00 0.00 N ATOM 423 CA THR A 24 7.159 12.466 -2.699 1.00 0.00 C ATOM 424 C THR A 24 8.610 12.923 -2.797 1.00 0.00 C ATOM 425 O THR A 24 8.928 13.860 -3.530 1.00 0.00 O ATOM 426 CB THR A 24 6.434 13.260 -1.611 1.00 0.00 C ATOM 427 OG1 THR A 24 6.489 14.649 -1.883 1.00 0.00 O ATOM 428 CG2 THR A 24 7.008 13.041 -0.227 1.00 0.00 C ATOM 0 H THR A 24 6.581 10.802 -1.560 1.00 0.00 H new ATOM 0 HA THR A 24 6.675 12.650 -3.658 1.00 0.00 H new ATOM 0 HB THR A 24 5.407 12.895 -1.623 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.019 15.139 -1.177 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.448 13.633 0.497 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.936 11.985 0.034 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.054 13.347 -0.214 1.00 0.00 H new ATOM 436 N SER A 25 9.488 12.257 -2.053 1.00 0.00 N ATOM 437 CA SER A 25 10.906 12.596 -2.057 1.00 0.00 C ATOM 438 C SER A 25 11.659 11.779 -3.102 1.00 0.00 C ATOM 439 O SER A 25 12.331 10.801 -2.774 1.00 0.00 O ATOM 440 CB SER A 25 11.512 12.358 -0.673 1.00 0.00 C ATOM 441 OG SER A 25 11.617 10.973 -0.393 1.00 0.00 O ATOM 0 H SER A 25 9.242 11.480 -1.440 1.00 0.00 H new ATOM 0 HA SER A 25 11.001 13.652 -2.311 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.499 12.818 -0.621 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.895 12.840 0.085 1.00 0.00 H new ATOM 0 HG SER A 25 12.247 10.560 -1.019 1.00 0.00 H new ATOM 447 N GLY A 26 11.543 12.188 -4.362 1.00 0.00 N ATOM 448 CA GLY A 26 12.219 11.483 -5.434 1.00 0.00 C ATOM 449 C GLY A 26 11.293 10.550 -6.190 1.00 0.00 C ATOM 450 O GLY A 26 10.854 9.533 -5.655 1.00 0.00 O ATOM 0 H GLY A 26 10.993 12.994 -4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.646 12.207 -6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.049 10.910 -5.021 1.00 0.00 H new ATOM 454 N GLY A 27 10.998 10.897 -7.440 1.00 0.00 N ATOM 455 CA GLY A 27 10.121 10.074 -8.253 1.00 0.00 C ATOM 456 C GLY A 27 10.612 8.640 -8.369 1.00 0.00 C ATOM 457 O GLY A 27 11.623 8.383 -9.024 1.00 0.00 O ATOM 0 H GLY A 27 11.351 11.734 -7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.120 10.078 -7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.040 10.509 -9.249 1.00 0.00 H new ATOM 461 N PRO A 28 9.917 7.676 -7.738 1.00 0.00 N ATOM 462 CA PRO A 28 10.304 6.267 -7.784 1.00 0.00 C ATOM 463 C PRO A 28 9.816 5.573 -9.051 1.00 0.00 C ATOM 464 O PRO A 28 10.543 4.790 -9.663 1.00 0.00 O ATOM 465 CB PRO A 28 9.609 5.688 -6.556 1.00 0.00 C ATOM 466 CG PRO A 28 8.367 6.501 -6.416 1.00 0.00 C ATOM 467 CD PRO A 28 8.699 7.882 -6.929 1.00 0.00 C ATOM 0 HA PRO A 28 11.386 6.133 -7.790 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.379 4.631 -6.691 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.238 5.767 -5.669 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.549 6.061 -6.987 1.00 0.00 H new ATOM 0 HG3 PRO A 28 8.044 6.541 -5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.886 8.292 -7.528 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.876 8.580 -6.111 1.00 0.00 H new ATOM 475 N VAL A 29 8.579 5.866 -9.435 1.00 0.00 N ATOM 476 CA VAL A 29 7.984 5.273 -10.626 1.00 0.00 C ATOM 477 C VAL A 29 7.847 6.302 -11.741 1.00 0.00 C ATOM 478 O VAL A 29 8.118 7.487 -11.546 1.00 0.00 O ATOM 479 CB VAL A 29 6.592 4.686 -10.320 1.00 0.00 C ATOM 480 CG1 VAL A 29 6.695 3.543 -9.320 1.00 0.00 C ATOM 481 CG2 VAL A 29 5.658 5.771 -9.803 1.00 0.00 C ATOM 0 H VAL A 29 7.967 6.513 -8.937 1.00 0.00 H new ATOM 0 HA VAL A 29 8.650 4.473 -10.949 1.00 0.00 H new ATOM 0 HB VAL A 29 6.177 4.288 -11.246 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.701 3.144 -9.119 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.325 2.755 -9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.133 3.910 -8.392 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.680 5.339 -9.592 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.070 6.200 -8.890 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.555 6.552 -10.557 1.00 0.00 H new ATOM 491 N ASP A 30 7.405 5.843 -12.907 1.00 0.00 N ATOM 492 CA ASP A 30 7.209 6.726 -14.050 1.00 0.00 C ATOM 493 C ASP A 30 5.745 7.143 -14.146 1.00 0.00 C ATOM 494 O ASP A 30 5.232 7.418 -15.232 1.00 0.00 O ATOM 495 CB ASP A 30 7.643 6.031 -15.343 1.00 0.00 C ATOM 496 CG ASP A 30 9.117 5.674 -15.340 1.00 0.00 C ATOM 497 OD1 ASP A 30 9.906 6.419 -14.723 1.00 0.00 O ATOM 498 OD2 ASP A 30 9.480 4.649 -15.955 1.00 0.00 O ATOM 0 H ASP A 30 7.176 4.865 -13.085 1.00 0.00 H new ATOM 0 HA ASP A 30 7.822 7.616 -13.910 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.053 5.125 -15.481 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.431 6.682 -16.191 1.00 0.00 H new ATOM 503 N ALA A 31 5.078 7.177 -12.996 1.00 0.00 N ATOM 504 CA ALA A 31 3.672 7.548 -12.927 1.00 0.00 C ATOM 505 C ALA A 31 3.501 9.062 -12.874 1.00 0.00 C ATOM 506 O ALA A 31 3.136 9.692 -13.865 1.00 0.00 O ATOM 507 CB ALA A 31 3.031 6.899 -11.711 1.00 0.00 C ATOM 0 H ALA A 31 5.495 6.950 -12.093 1.00 0.00 H new ATOM 0 HA ALA A 31 3.177 7.191 -13.830 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.979 7.178 -11.662 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.115 5.815 -11.790 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.539 7.237 -10.808 1.00 0.00 H new ATOM 513 N GLY A 32 3.767 9.638 -11.706 1.00 0.00 N ATOM 514 CA GLY A 32 3.637 11.072 -11.534 1.00 0.00 C ATOM 515 C GLY A 32 3.818 11.494 -10.089 1.00 0.00 C ATOM 516 O GLY A 32 4.018 10.648 -9.218 1.00 0.00 O ATOM 0 H GLY A 32 4.071 9.134 -10.873 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.376 11.579 -12.154 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.655 11.391 -11.884 1.00 0.00 H new ATOM 520 N PRO A 33 3.760 12.804 -9.797 1.00 0.00 N ATOM 521 CA PRO A 33 3.927 13.314 -8.438 1.00 0.00 C ATOM 522 C PRO A 33 2.646 13.250 -7.617 1.00 0.00 C ATOM 523 O PRO A 33 2.615 13.694 -6.469 1.00 0.00 O ATOM 524 CB PRO A 33 4.349 14.759 -8.671 1.00 0.00 C ATOM 525 CG PRO A 33 3.660 15.149 -9.937 1.00 0.00 C ATOM 526 CD PRO A 33 3.538 13.893 -10.767 1.00 0.00 C ATOM 0 HA PRO A 33 4.643 12.726 -7.864 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.048 15.399 -7.842 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.431 14.846 -8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.678 15.573 -9.729 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.229 15.911 -10.469 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.557 13.817 -11.235 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.276 13.871 -11.569 1.00 0.00 H new ATOM 534 N GLU A 34 1.597 12.682 -8.196 1.00 0.00 N ATOM 535 CA GLU A 34 0.332 12.551 -7.490 1.00 0.00 C ATOM 536 C GLU A 34 -0.369 11.256 -7.873 1.00 0.00 C ATOM 537 O GLU A 34 -1.583 11.112 -7.723 1.00 0.00 O ATOM 538 CB GLU A 34 -0.574 13.753 -7.761 1.00 0.00 C ATOM 539 CG GLU A 34 -0.357 14.907 -6.796 1.00 0.00 C ATOM 540 CD GLU A 34 -1.313 16.059 -7.040 1.00 0.00 C ATOM 541 OE1 GLU A 34 -0.989 16.932 -7.874 1.00 0.00 O ATOM 542 OE2 GLU A 34 -2.385 16.088 -6.399 1.00 0.00 O ATOM 0 H GLU A 34 1.597 12.308 -9.145 1.00 0.00 H new ATOM 0 HA GLU A 34 0.546 12.522 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.403 14.104 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.615 13.433 -7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.479 14.549 -5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.668 15.265 -6.888 1.00 0.00 H new ATOM 549 N TYR A 35 0.428 10.310 -8.340 1.00 0.00 N ATOM 550 CA TYR A 35 -0.048 8.992 -8.726 1.00 0.00 C ATOM 551 C TYR A 35 -0.263 8.122 -7.485 1.00 0.00 C ATOM 552 O TYR A 35 -0.291 6.900 -7.586 1.00 0.00 O ATOM 553 CB TYR A 35 1.004 8.317 -9.597 1.00 0.00 C ATOM 554 CG TYR A 35 2.121 7.775 -8.746 1.00 0.00 C ATOM 555 CD1 TYR A 35 2.797 8.616 -7.877 1.00 0.00 C ATOM 556 CD2 TYR A 35 2.454 6.434 -8.757 1.00 0.00 C ATOM 557 CE1 TYR A 35 3.782 8.148 -7.053 1.00 0.00 C ATOM 558 CE2 TYR A 35 3.438 5.945 -7.925 1.00 0.00 C ATOM 559 CZ TYR A 35 4.105 6.806 -7.072 1.00 0.00 C ATOM 560 OH TYR A 35 5.089 6.324 -6.240 1.00 0.00 O ATOM 0 H TYR A 35 1.433 10.436 -8.463 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.988 9.104 -9.266 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.548 7.508 -10.168 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.401 9.031 -10.318 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.540 9.665 -7.850 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.937 5.761 -9.425 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.304 8.824 -6.392 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.687 4.894 -7.939 1.00 0.00 H new ATOM 0 HH TYR A 35 5.158 5.352 -6.343 1.00 0.00 H new ATOM 570 N GLN A 36 -0.374 8.752 -6.314 1.00 0.00 N ATOM 571 CA GLN A 36 -0.553 8.033 -5.049 1.00 0.00 C ATOM 572 C GLN A 36 -1.481 6.833 -5.209 1.00 0.00 C ATOM 573 O GLN A 36 -1.379 5.850 -4.474 1.00 0.00 O ATOM 574 CB GLN A 36 -1.107 8.975 -3.979 1.00 0.00 C ATOM 575 CG GLN A 36 -0.032 9.737 -3.223 1.00 0.00 C ATOM 576 CD GLN A 36 0.261 11.093 -3.834 1.00 0.00 C ATOM 577 OE1 GLN A 36 -0.588 11.985 -3.830 1.00 0.00 O ATOM 578 NE2 GLN A 36 1.468 11.256 -4.363 1.00 0.00 N ATOM 0 H GLN A 36 -0.343 9.767 -6.215 1.00 0.00 H new ATOM 0 HA GLN A 36 0.425 7.664 -4.740 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.783 9.689 -4.450 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.698 8.397 -3.269 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.346 9.869 -2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.883 9.145 -3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.141 10.490 -4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.722 12.148 -4.788 1.00 0.00 H new ATOM 587 N GLN A 37 -2.379 6.920 -6.180 1.00 0.00 N ATOM 588 CA GLN A 37 -3.323 5.841 -6.447 1.00 0.00 C ATOM 589 C GLN A 37 -2.634 4.673 -7.148 1.00 0.00 C ATOM 590 O GLN A 37 -2.958 3.511 -6.902 1.00 0.00 O ATOM 591 CB GLN A 37 -4.490 6.349 -7.297 1.00 0.00 C ATOM 592 CG GLN A 37 -5.774 5.559 -7.103 1.00 0.00 C ATOM 593 CD GLN A 37 -6.802 5.844 -8.180 1.00 0.00 C ATOM 594 OE1 GLN A 37 -6.458 6.246 -9.292 1.00 0.00 O ATOM 595 NE2 GLN A 37 -8.073 5.638 -7.854 1.00 0.00 N ATOM 0 H GLN A 37 -2.475 7.727 -6.797 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.710 5.488 -5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.677 7.395 -7.054 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.206 6.312 -8.349 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.544 4.494 -7.099 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.199 5.797 -6.128 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.312 5.304 -6.920 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.810 5.814 -8.537 1.00 0.00 H new ATOM 604 N ASP A 38 -1.674 4.986 -8.011 1.00 0.00 N ATOM 605 CA ASP A 38 -0.931 3.962 -8.729 1.00 0.00 C ATOM 606 C ASP A 38 0.054 3.281 -7.788 1.00 0.00 C ATOM 607 O ASP A 38 0.262 2.071 -7.857 1.00 0.00 O ATOM 608 CB ASP A 38 -0.191 4.576 -9.921 1.00 0.00 C ATOM 609 CG ASP A 38 -0.854 4.249 -11.244 1.00 0.00 C ATOM 610 OD1 ASP A 38 -1.219 3.072 -11.451 1.00 0.00 O ATOM 611 OD2 ASP A 38 -1.009 5.168 -12.075 1.00 0.00 O ATOM 0 H ASP A 38 -1.393 5.942 -8.229 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.632 3.217 -9.106 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.145 5.658 -9.798 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.837 4.213 -9.933 1.00 0.00 H new ATOM 616 N LEU A 39 0.641 4.073 -6.896 1.00 0.00 N ATOM 617 CA LEU A 39 1.589 3.555 -5.919 1.00 0.00 C ATOM 618 C LEU A 39 0.926 2.485 -5.064 1.00 0.00 C ATOM 619 O LEU A 39 1.571 1.533 -4.625 1.00 0.00 O ATOM 620 CB LEU A 39 2.105 4.693 -5.033 1.00 0.00 C ATOM 621 CG LEU A 39 2.962 4.260 -3.842 1.00 0.00 C ATOM 622 CD1 LEU A 39 3.966 5.346 -3.489 1.00 0.00 C ATOM 623 CD2 LEU A 39 2.081 3.938 -2.645 1.00 0.00 C ATOM 0 H LEU A 39 0.476 5.077 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 39 2.432 3.110 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.689 5.375 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.250 5.255 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 39 3.511 3.360 -4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.568 5.023 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.616 5.533 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.435 6.262 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.705 3.632 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.508 4.822 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.398 3.129 -2.903 1.00 0.00 H new ATOM 635 N ASP A 40 -0.375 2.648 -4.838 1.00 0.00 N ATOM 636 CA ASP A 40 -1.138 1.693 -4.042 1.00 0.00 C ATOM 637 C ASP A 40 -1.036 0.292 -4.638 1.00 0.00 C ATOM 638 O ASP A 40 -1.132 -0.704 -3.922 1.00 0.00 O ATOM 639 CB ASP A 40 -2.605 2.120 -3.962 1.00 0.00 C ATOM 640 CG ASP A 40 -2.814 3.298 -3.030 1.00 0.00 C ATOM 641 OD1 ASP A 40 -2.621 3.127 -1.807 1.00 0.00 O ATOM 642 OD2 ASP A 40 -3.171 4.389 -3.521 1.00 0.00 O ATOM 0 H ASP A 40 -0.922 3.432 -5.195 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.718 1.675 -3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.959 2.382 -4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.207 1.278 -3.620 1.00 0.00 H new ATOM 647 N ARG A 41 -0.837 0.222 -5.954 1.00 0.00 N ATOM 648 CA ARG A 41 -0.717 -1.062 -6.637 1.00 0.00 C ATOM 649 C ARG A 41 0.426 -1.878 -6.040 1.00 0.00 C ATOM 650 O ARG A 41 0.310 -3.090 -5.857 1.00 0.00 O ATOM 651 CB ARG A 41 -0.496 -0.851 -8.141 1.00 0.00 C ATOM 652 CG ARG A 41 0.943 -0.530 -8.518 1.00 0.00 C ATOM 653 CD ARG A 41 1.029 0.102 -9.899 1.00 0.00 C ATOM 654 NE ARG A 41 0.249 -0.636 -10.889 1.00 0.00 N ATOM 655 CZ ARG A 41 0.222 -0.336 -12.185 1.00 0.00 C ATOM 656 NH1 ARG A 41 0.930 0.685 -12.652 1.00 0.00 N ATOM 657 NH2 ARG A 41 -0.515 -1.058 -13.017 1.00 0.00 N ATOM 0 H ARG A 41 -0.756 1.035 -6.564 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.646 -1.615 -6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.808 -1.750 -8.673 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.139 -0.040 -8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.371 0.147 -7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.538 -1.443 -8.497 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.672 1.131 -9.850 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.071 0.142 -10.215 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.308 -1.428 -10.568 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.499 1.244 -12.016 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.905 0.910 -13.647 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.061 -1.844 -12.664 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.536 -0.828 -14.011 1.00 0.00 H new ATOM 671 N GLU A 42 1.524 -1.199 -5.727 1.00 0.00 N ATOM 672 CA GLU A 42 2.685 -1.854 -5.139 1.00 0.00 C ATOM 673 C GLU A 42 2.365 -2.323 -3.725 1.00 0.00 C ATOM 674 O GLU A 42 2.903 -3.324 -3.252 1.00 0.00 O ATOM 675 CB GLU A 42 3.881 -0.899 -5.122 1.00 0.00 C ATOM 676 CG GLU A 42 5.119 -1.484 -4.461 1.00 0.00 C ATOM 677 CD GLU A 42 6.389 -1.189 -5.236 1.00 0.00 C ATOM 678 OE1 GLU A 42 6.388 -0.224 -6.030 1.00 0.00 O ATOM 679 OE2 GLU A 42 7.382 -1.922 -5.049 1.00 0.00 O ATOM 0 H GLU A 42 1.634 -0.195 -5.871 1.00 0.00 H new ATOM 0 HA GLU A 42 2.941 -2.722 -5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.125 -0.618 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.598 0.015 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.212 -1.082 -3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.999 -2.563 -4.364 1.00 0.00 H new ATOM 686 N LEU A 43 1.474 -1.595 -3.060 1.00 0.00 N ATOM 687 CA LEU A 43 1.065 -1.936 -1.706 1.00 0.00 C ATOM 688 C LEU A 43 0.220 -3.200 -1.713 1.00 0.00 C ATOM 689 O LEU A 43 0.476 -4.137 -0.957 1.00 0.00 O ATOM 690 CB LEU A 43 0.271 -0.782 -1.090 1.00 0.00 C ATOM 691 CG LEU A 43 1.110 0.380 -0.556 1.00 0.00 C ATOM 692 CD1 LEU A 43 2.177 0.782 -1.562 1.00 0.00 C ATOM 693 CD2 LEU A 43 0.217 1.564 -0.223 1.00 0.00 C ATOM 0 H LEU A 43 1.021 -0.763 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 43 1.958 -2.113 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.418 -0.395 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.335 -1.175 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 43 1.610 0.053 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.762 1.610 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.834 -0.066 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.701 1.091 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.827 2.384 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.308 1.888 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.509 1.270 0.536 1.00 0.00 H new ATOM 705 N PHE A 44 -0.789 -3.222 -2.577 1.00 0.00 N ATOM 706 CA PHE A 44 -1.669 -4.376 -2.689 1.00 0.00 C ATOM 707 C PHE A 44 -0.859 -5.636 -2.995 1.00 0.00 C ATOM 708 O PHE A 44 -1.270 -6.747 -2.660 1.00 0.00 O ATOM 709 CB PHE A 44 -2.737 -4.126 -3.766 1.00 0.00 C ATOM 710 CG PHE A 44 -2.656 -5.045 -4.956 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.074 -6.362 -4.860 1.00 0.00 C ATOM 712 CD2 PHE A 44 -2.161 -4.589 -6.166 1.00 0.00 C ATOM 713 CE1 PHE A 44 -3.002 -7.208 -5.950 1.00 0.00 C ATOM 714 CE2 PHE A 44 -2.086 -5.430 -7.261 1.00 0.00 C ATOM 715 CZ PHE A 44 -2.507 -6.741 -7.152 1.00 0.00 C ATOM 0 H PHE A 44 -1.016 -2.454 -3.209 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.177 -4.528 -1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.723 -4.228 -3.312 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.650 -3.096 -4.113 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.461 -6.732 -3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.830 -3.565 -6.256 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.332 -8.233 -5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.699 -5.062 -8.200 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.449 -7.400 -8.006 1.00 0.00 H new ATOM 725 N LYS A 45 0.297 -5.450 -3.631 1.00 0.00 N ATOM 726 CA LYS A 45 1.164 -6.569 -3.975 1.00 0.00 C ATOM 727 C LYS A 45 1.665 -7.272 -2.718 1.00 0.00 C ATOM 728 O LYS A 45 1.948 -8.470 -2.738 1.00 0.00 O ATOM 729 CB LYS A 45 2.350 -6.087 -4.811 1.00 0.00 C ATOM 730 CG LYS A 45 1.952 -5.535 -6.171 1.00 0.00 C ATOM 731 CD LYS A 45 2.824 -6.101 -7.282 1.00 0.00 C ATOM 732 CE LYS A 45 3.214 -5.028 -8.286 1.00 0.00 C ATOM 733 NZ LYS A 45 3.337 -5.577 -9.665 1.00 0.00 N ATOM 0 H LYS A 45 0.651 -4.537 -3.916 1.00 0.00 H new ATOM 0 HA LYS A 45 0.582 -7.280 -4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.884 -5.315 -4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.044 -6.915 -4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.907 -5.774 -6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.034 -4.448 -6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.723 -6.542 -6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.290 -6.902 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.468 -4.234 -8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.161 -4.579 -7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.604 -4.814 -10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.067 -6.318 -9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.426 -5.983 -9.960 1.00 0.00 H new ATOM 747 N LEU A 46 1.769 -6.523 -1.621 1.00 0.00 N ATOM 748 CA LEU A 46 2.232 -7.086 -0.362 1.00 0.00 C ATOM 749 C LEU A 46 1.282 -8.178 0.118 1.00 0.00 C ATOM 750 O LEU A 46 1.716 -9.247 0.548 1.00 0.00 O ATOM 751 CB LEU A 46 2.353 -5.989 0.701 1.00 0.00 C ATOM 752 CG LEU A 46 3.744 -5.839 1.324 1.00 0.00 C ATOM 753 CD1 LEU A 46 3.715 -4.820 2.453 1.00 0.00 C ATOM 754 CD2 LEU A 46 4.255 -7.183 1.828 1.00 0.00 C ATOM 0 H LEU A 46 1.539 -5.530 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 46 3.215 -7.527 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.068 -5.037 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.636 -6.194 1.496 1.00 0.00 H new ATOM 0 HG LEU A 46 4.428 -5.481 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.712 -4.726 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.396 -3.854 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.016 -5.149 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.244 -7.055 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.571 -7.573 2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.315 -7.885 0.996 1.00 0.00 H new ATOM 766 N LYS A 47 -0.016 -7.897 0.042 1.00 0.00 N ATOM 767 CA LYS A 47 -1.037 -8.849 0.471 1.00 0.00 C ATOM 768 C LYS A 47 -0.861 -10.194 -0.221 1.00 0.00 C ATOM 769 O LYS A 47 -0.935 -11.246 0.416 1.00 0.00 O ATOM 770 CB LYS A 47 -2.433 -8.294 0.184 1.00 0.00 C ATOM 771 CG LYS A 47 -2.830 -7.144 1.097 1.00 0.00 C ATOM 772 CD LYS A 47 -2.692 -5.802 0.395 1.00 0.00 C ATOM 773 CE LYS A 47 -2.351 -4.692 1.376 1.00 0.00 C ATOM 774 NZ LYS A 47 -2.191 -3.379 0.692 1.00 0.00 N ATOM 0 H LYS A 47 -0.387 -7.016 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.925 -9.000 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.475 -7.956 -0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.163 -9.097 0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.860 -7.279 1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.205 -7.155 1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.915 -5.867 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.623 -5.562 -0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.137 -4.617 2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.430 -4.942 1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.247 -2.613 1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.267 -3.346 0.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.947 -3.260 -0.012 1.00 0.00 H new ATOM 788 N GLN A 48 -0.624 -10.157 -1.528 1.00 0.00 N ATOM 789 CA GLN A 48 -0.433 -11.381 -2.300 1.00 0.00 C ATOM 790 C GLN A 48 0.745 -12.175 -1.755 1.00 0.00 C ATOM 791 O GLN A 48 0.738 -13.406 -1.767 1.00 0.00 O ATOM 792 CB GLN A 48 -0.213 -11.053 -3.778 1.00 0.00 C ATOM 793 CG GLN A 48 -1.474 -11.164 -4.621 1.00 0.00 C ATOM 794 CD GLN A 48 -2.625 -10.352 -4.060 1.00 0.00 C ATOM 795 OE1 GLN A 48 -3.760 -10.824 -3.995 1.00 0.00 O ATOM 796 NE2 GLN A 48 -2.336 -9.122 -3.651 1.00 0.00 N ATOM 0 H GLN A 48 -0.560 -9.297 -2.073 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.333 -11.989 -2.210 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.182 -10.041 -3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.544 -11.725 -4.182 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.259 -10.829 -5.636 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.771 -12.211 -4.687 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.381 -8.772 -3.724 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.069 -8.528 -3.264 1.00 0.00 H new ATOM 805 N MET A 49 1.749 -11.461 -1.260 1.00 0.00 N ATOM 806 CA MET A 49 2.929 -12.098 -0.688 1.00 0.00 C ATOM 807 C MET A 49 2.627 -12.558 0.733 1.00 0.00 C ATOM 808 O MET A 49 3.241 -13.497 1.241 1.00 0.00 O ATOM 809 CB MET A 49 4.129 -11.140 -0.680 1.00 0.00 C ATOM 810 CG MET A 49 3.996 -9.962 -1.632 1.00 0.00 C ATOM 811 SD MET A 49 5.584 -9.209 -2.036 1.00 0.00 S ATOM 812 CE MET A 49 5.148 -7.472 -2.028 1.00 0.00 C ATOM 0 H MET A 49 1.770 -10.441 -1.243 1.00 0.00 H new ATOM 0 HA MET A 49 3.185 -12.958 -1.306 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.269 -10.760 0.332 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.028 -11.700 -0.937 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.513 -10.295 -2.550 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.346 -9.210 -1.184 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.920 -6.901 -2.544 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.194 -7.334 -2.536 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.065 -7.122 -0.999 1.00 0.00 H new ATOM 822 N TYR A 50 1.671 -11.885 1.367 1.00 0.00 N ATOM 823 CA TYR A 50 1.274 -12.211 2.728 1.00 0.00 C ATOM 824 C TYR A 50 0.478 -13.508 2.762 1.00 0.00 C ATOM 825 O TYR A 50 0.663 -14.335 3.655 1.00 0.00 O ATOM 826 CB TYR A 50 0.445 -11.068 3.322 1.00 0.00 C ATOM 827 CG TYR A 50 1.279 -9.952 3.909 1.00 0.00 C ATOM 828 CD1 TYR A 50 1.993 -10.146 5.079 1.00 0.00 C ATOM 829 CD2 TYR A 50 1.353 -8.707 3.296 1.00 0.00 C ATOM 830 CE1 TYR A 50 2.761 -9.136 5.631 1.00 0.00 C ATOM 831 CE2 TYR A 50 2.117 -7.692 3.835 1.00 0.00 C ATOM 832 CZ TYR A 50 2.820 -7.909 5.002 1.00 0.00 C ATOM 833 OH TYR A 50 3.581 -6.898 5.542 1.00 0.00 O ATOM 0 H TYR A 50 1.156 -11.107 0.955 1.00 0.00 H new ATOM 0 HA TYR A 50 2.175 -12.346 3.326 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.200 -10.657 2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.207 -11.469 4.098 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.950 -11.106 5.571 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.804 -8.531 2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.309 -9.306 6.546 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.164 -6.731 3.345 1.00 0.00 H new ATOM 0 HH TYR A 50 3.945 -7.188 6.404 1.00 0.00 H new ATOM 843 N GLY A 51 -0.403 -13.686 1.784 1.00 0.00 N ATOM 844 CA GLY A 51 -1.200 -14.895 1.732 1.00 0.00 C ATOM 845 C GLY A 51 -0.497 -16.021 0.999 1.00 0.00 C ATOM 846 O GLY A 51 -1.078 -17.082 0.776 1.00 0.00 O ATOM 0 H GLY A 51 -0.578 -13.020 1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.434 -15.216 2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.148 -14.681 1.239 1.00 0.00 H new ATOM 850 N LYS A 52 0.759 -15.790 0.623 1.00 0.00 N ATOM 851 CA LYS A 52 1.539 -16.793 -0.088 1.00 0.00 C ATOM 852 C LYS A 52 2.756 -17.230 0.723 1.00 0.00 C ATOM 853 O LYS A 52 3.332 -18.287 0.464 1.00 0.00 O ATOM 854 CB LYS A 52 1.988 -16.248 -1.445 1.00 0.00 C ATOM 855 CG LYS A 52 1.009 -16.538 -2.572 1.00 0.00 C ATOM 856 CD LYS A 52 0.750 -18.030 -2.716 1.00 0.00 C ATOM 857 CE LYS A 52 -0.584 -18.426 -2.103 1.00 0.00 C ATOM 858 NZ LYS A 52 -0.512 -19.750 -1.425 1.00 0.00 N ATOM 0 H LYS A 52 1.256 -14.917 0.800 1.00 0.00 H new ATOM 0 HA LYS A 52 0.902 -17.664 -0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.129 -15.170 -1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.957 -16.678 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.069 -16.021 -2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.404 -16.144 -3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.762 -18.302 -3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.553 -18.588 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.893 -17.667 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.346 -18.458 -2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.441 -19.984 -1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.242 -20.479 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.197 -19.713 -0.665 1.00 0.00 H new ATOM 872 N ALA A 53 3.154 -16.417 1.703 1.00 0.00 N ATOM 873 CA ALA A 53 4.311 -16.744 2.528 1.00 0.00 C ATOM 874 C ALA A 53 3.902 -17.112 3.951 1.00 0.00 C ATOM 875 O ALA A 53 3.907 -18.285 4.325 1.00 0.00 O ATOM 876 CB ALA A 53 5.289 -15.582 2.542 1.00 0.00 C ATOM 0 H ALA A 53 2.696 -15.537 1.941 1.00 0.00 H new ATOM 0 HA ALA A 53 4.798 -17.615 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.149 -15.838 3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.623 -15.375 1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.798 -14.698 2.950 1.00 0.00 H new ATOM 882 N ASP A 54 3.550 -16.104 4.742 1.00 0.00 N ATOM 883 CA ASP A 54 3.138 -16.323 6.124 1.00 0.00 C ATOM 884 C ASP A 54 4.233 -17.027 6.930 1.00 0.00 C ATOM 885 O ASP A 54 4.108 -18.206 7.262 1.00 0.00 O ATOM 886 CB ASP A 54 1.851 -17.150 6.165 1.00 0.00 C ATOM 887 CG ASP A 54 0.957 -16.772 7.330 1.00 0.00 C ATOM 888 OD1 ASP A 54 1.166 -17.311 8.437 1.00 0.00 O ATOM 889 OD2 ASP A 54 0.049 -15.937 7.135 1.00 0.00 O ATOM 0 H ASP A 54 3.542 -15.127 4.450 1.00 0.00 H new ATOM 0 HA ASP A 54 2.958 -15.348 6.576 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.304 -17.013 5.232 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.104 -18.208 6.233 1.00 0.00 H new ATOM 894 N MET A 55 5.306 -16.300 7.247 1.00 0.00 N ATOM 895 CA MET A 55 6.410 -16.871 8.018 1.00 0.00 C ATOM 896 C MET A 55 7.310 -15.785 8.612 1.00 0.00 C ATOM 897 O MET A 55 8.327 -15.421 8.024 1.00 0.00 O ATOM 898 CB MET A 55 7.241 -17.804 7.135 1.00 0.00 C ATOM 899 CG MET A 55 7.644 -17.187 5.806 1.00 0.00 C ATOM 900 SD MET A 55 9.162 -17.896 5.142 1.00 0.00 S ATOM 901 CE MET A 55 8.661 -18.256 3.460 1.00 0.00 C ATOM 0 H MET A 55 5.433 -15.323 6.984 1.00 0.00 H new ATOM 0 HA MET A 55 5.976 -17.436 8.843 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.140 -18.098 7.677 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.671 -18.714 6.946 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.838 -17.326 5.086 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.775 -16.113 5.934 1.00 0.00 H new ATOM 0 HE1 MET A 55 9.496 -18.701 2.919 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.823 -18.953 3.471 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.358 -17.333 2.965 1.00 0.00 H new ATOM 911 N ASN A 56 6.936 -15.283 9.791 1.00 0.00 N ATOM 912 CA ASN A 56 7.713 -14.247 10.481 1.00 0.00 C ATOM 913 C ASN A 56 8.149 -13.138 9.524 1.00 0.00 C ATOM 914 O ASN A 56 9.324 -13.031 9.175 1.00 0.00 O ATOM 915 CB ASN A 56 8.942 -14.868 11.148 1.00 0.00 C ATOM 916 CG ASN A 56 8.662 -15.321 12.569 1.00 0.00 C ATOM 917 OD1 ASN A 56 9.477 -15.119 13.469 1.00 0.00 O ATOM 918 ND2 ASN A 56 7.505 -15.938 12.775 1.00 0.00 N ATOM 0 H ASN A 56 6.097 -15.578 10.291 1.00 0.00 H new ATOM 0 HA ASN A 56 7.070 -13.803 11.241 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.281 -15.720 10.558 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.755 -14.141 11.155 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.261 -16.266 13.710 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.860 -16.084 11.999 1.00 0.00 H new ATOM 925 N THR A 57 7.183 -12.323 9.100 1.00 0.00 N ATOM 926 CA THR A 57 7.417 -11.219 8.174 1.00 0.00 C ATOM 927 C THR A 57 6.106 -10.899 7.484 1.00 0.00 C ATOM 928 O THR A 57 5.827 -9.756 7.122 1.00 0.00 O ATOM 929 CB THR A 57 8.478 -11.576 7.126 1.00 0.00 C ATOM 930 OG1 THR A 57 8.410 -10.689 6.022 1.00 0.00 O ATOM 931 CG2 THR A 57 8.337 -12.981 6.587 1.00 0.00 C ATOM 0 H THR A 57 6.210 -12.412 9.393 1.00 0.00 H new ATOM 0 HA THR A 57 7.786 -10.358 8.732 1.00 0.00 H new ATOM 0 HB THR A 57 9.433 -11.494 7.644 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.848 -11.098 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.118 -13.168 5.850 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.430 -13.696 7.405 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.360 -13.094 6.116 1.00 0.00 H new ATOM 939 N PHE A 58 5.304 -11.942 7.309 1.00 0.00 N ATOM 940 CA PHE A 58 4.012 -11.820 6.669 1.00 0.00 C ATOM 941 C PHE A 58 2.858 -11.903 7.682 1.00 0.00 C ATOM 942 O PHE A 58 1.915 -11.114 7.618 1.00 0.00 O ATOM 943 CB PHE A 58 3.859 -12.892 5.590 1.00 0.00 C ATOM 944 CG PHE A 58 4.918 -12.808 4.529 1.00 0.00 C ATOM 945 CD1 PHE A 58 4.771 -11.953 3.448 1.00 0.00 C ATOM 946 CD2 PHE A 58 6.065 -13.579 4.615 1.00 0.00 C ATOM 947 CE1 PHE A 58 5.748 -11.870 2.474 1.00 0.00 C ATOM 948 CE2 PHE A 58 7.045 -13.501 3.645 1.00 0.00 C ATOM 949 CZ PHE A 58 6.886 -12.645 2.572 1.00 0.00 C ATOM 0 H PHE A 58 5.535 -12.890 7.607 1.00 0.00 H new ATOM 0 HA PHE A 58 3.962 -10.835 6.205 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.896 -13.877 6.056 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.878 -12.795 5.125 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.883 -11.344 3.366 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.195 -14.250 5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.621 -11.199 1.637 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.935 -14.108 3.725 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.650 -12.582 1.812 1.00 0.00 H new ATOM 959 N PRO A 59 2.904 -12.860 8.626 1.00 0.00 N ATOM 960 CA PRO A 59 1.855 -13.039 9.627 1.00 0.00 C ATOM 961 C PRO A 59 2.009 -12.116 10.830 1.00 0.00 C ATOM 962 O PRO A 59 1.983 -12.564 11.977 1.00 0.00 O ATOM 963 CB PRO A 59 2.008 -14.510 10.054 1.00 0.00 C ATOM 964 CG PRO A 59 3.197 -15.040 9.310 1.00 0.00 C ATOM 965 CD PRO A 59 3.956 -13.853 8.798 1.00 0.00 C ATOM 0 HA PRO A 59 0.874 -12.796 9.219 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.156 -14.589 11.131 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.111 -15.081 9.812 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.824 -15.646 9.965 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.883 -15.682 8.487 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.716 -13.521 9.505 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.466 -14.071 7.860 1.00 0.00 H new ATOM 973 N ASN A 60 2.158 -10.827 10.566 1.00 0.00 N ATOM 974 CA ASN A 60 2.301 -9.847 11.634 1.00 0.00 C ATOM 975 C ASN A 60 2.352 -8.435 11.069 1.00 0.00 C ATOM 976 O ASN A 60 1.532 -7.586 11.419 1.00 0.00 O ATOM 977 CB ASN A 60 3.562 -10.129 12.459 1.00 0.00 C ATOM 978 CG ASN A 60 4.738 -10.559 11.603 1.00 0.00 C ATOM 979 OD1 ASN A 60 4.716 -10.416 10.381 1.00 0.00 O ATOM 980 ND2 ASN A 60 5.773 -11.091 12.244 1.00 0.00 N ATOM 0 H ASN A 60 2.183 -10.435 9.625 1.00 0.00 H new ATOM 0 HA ASN A 60 1.430 -9.929 12.285 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.833 -9.233 13.018 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.346 -10.908 13.190 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.593 -11.400 11.721 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.748 -11.190 13.259 1.00 0.00 H new ATOM 987 N PHE A 61 3.317 -8.197 10.187 1.00 0.00 N ATOM 988 CA PHE A 61 3.494 -6.891 9.554 1.00 0.00 C ATOM 989 C PHE A 61 4.840 -6.824 8.842 1.00 0.00 C ATOM 990 O PHE A 61 4.913 -6.949 7.620 1.00 0.00 O ATOM 991 CB PHE A 61 3.395 -5.753 10.581 1.00 0.00 C ATOM 992 CG PHE A 61 2.501 -4.632 10.142 1.00 0.00 C ATOM 993 CD1 PHE A 61 2.774 -3.929 8.980 1.00 0.00 C ATOM 994 CD2 PHE A 61 1.389 -4.280 10.890 1.00 0.00 C ATOM 995 CE1 PHE A 61 1.954 -2.894 8.572 1.00 0.00 C ATOM 996 CE2 PHE A 61 0.565 -3.246 10.486 1.00 0.00 C ATOM 997 CZ PHE A 61 0.849 -2.552 9.326 1.00 0.00 C ATOM 0 H PHE A 61 3.996 -8.898 9.891 1.00 0.00 H new ATOM 0 HA PHE A 61 2.693 -6.766 8.825 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.025 -6.155 11.524 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.393 -5.359 10.773 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.637 -4.193 8.386 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.164 -4.819 11.798 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.177 -2.353 7.664 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.300 -2.981 11.077 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.208 -1.743 9.009 1.00 0.00 H new ATOM 1007 N THR A 62 5.905 -6.624 9.614 1.00 0.00 N ATOM 1008 CA THR A 62 7.245 -6.537 9.058 1.00 0.00 C ATOM 1009 C THR A 62 7.295 -5.493 7.943 1.00 0.00 C ATOM 1010 O THR A 62 6.921 -5.758 6.800 1.00 0.00 O ATOM 1011 CB THR A 62 7.700 -7.922 8.565 1.00 0.00 C ATOM 1012 OG1 THR A 62 8.689 -8.451 9.430 1.00 0.00 O ATOM 1013 CG2 THR A 62 8.279 -7.931 7.163 1.00 0.00 C ATOM 0 H THR A 62 5.862 -6.519 10.628 1.00 0.00 H new ATOM 0 HA THR A 62 7.937 -6.214 9.836 1.00 0.00 H new ATOM 0 HB THR A 62 6.792 -8.525 8.557 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.258 -8.970 10.141 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.573 -8.946 6.897 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.529 -7.574 6.457 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.152 -7.279 7.126 1.00 0.00 H new ATOM 1021 N PHE A 63 7.756 -4.301 8.292 1.00 0.00 N ATOM 1022 CA PHE A 63 7.858 -3.210 7.331 1.00 0.00 C ATOM 1023 C PHE A 63 9.241 -3.192 6.687 1.00 0.00 C ATOM 1024 O PHE A 63 9.398 -2.768 5.541 1.00 0.00 O ATOM 1025 CB PHE A 63 7.574 -1.872 8.018 1.00 0.00 C ATOM 1026 CG PHE A 63 6.372 -1.147 7.476 1.00 0.00 C ATOM 1027 CD1 PHE A 63 5.259 -1.846 7.026 1.00 0.00 C ATOM 1028 CD2 PHE A 63 6.353 0.237 7.421 1.00 0.00 C ATOM 1029 CE1 PHE A 63 4.157 -1.176 6.534 1.00 0.00 C ATOM 1030 CE2 PHE A 63 5.253 0.911 6.928 1.00 0.00 C ATOM 1031 CZ PHE A 63 4.153 0.204 6.484 1.00 0.00 C ATOM 0 H PHE A 63 8.066 -4.063 9.234 1.00 0.00 H new ATOM 0 HA PHE A 63 7.116 -3.367 6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.430 -2.047 9.084 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.449 -1.230 7.916 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.256 -2.925 7.061 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.209 0.796 7.768 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.298 -1.731 6.188 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.253 1.990 6.890 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.292 0.729 6.099 1.00 0.00 H new ATOM 1041 N GLU A 64 10.239 -3.656 7.431 1.00 0.00 N ATOM 1042 CA GLU A 64 11.610 -3.699 6.936 1.00 0.00 C ATOM 1043 C GLU A 64 12.514 -4.447 7.912 1.00 0.00 C ATOM 1044 O GLU A 64 13.680 -4.094 8.091 1.00 0.00 O ATOM 1045 CB GLU A 64 12.139 -2.281 6.711 1.00 0.00 C ATOM 1046 CG GLU A 64 11.926 -1.773 5.294 1.00 0.00 C ATOM 1047 CD GLU A 64 13.185 -1.183 4.690 1.00 0.00 C ATOM 1048 OE1 GLU A 64 13.895 -0.442 5.402 1.00 0.00 O ATOM 1049 OE2 GLU A 64 13.461 -1.462 3.505 1.00 0.00 O ATOM 0 H GLU A 64 10.124 -4.008 8.381 1.00 0.00 H new ATOM 0 HA GLU A 64 11.612 -4.232 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.648 -1.603 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.204 -2.258 6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.577 -2.593 4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.141 -1.017 5.297 1.00 0.00 H new ATOM 1056 N ASP A 65 11.966 -5.484 8.538 1.00 0.00 N ATOM 1057 CA ASP A 65 12.720 -6.285 9.497 1.00 0.00 C ATOM 1058 C ASP A 65 13.970 -6.877 8.851 1.00 0.00 C ATOM 1059 O ASP A 65 14.100 -6.887 7.628 1.00 0.00 O ATOM 1060 CB ASP A 65 11.843 -7.407 10.053 1.00 0.00 C ATOM 1061 CG ASP A 65 11.188 -7.031 11.369 1.00 0.00 C ATOM 1062 OD1 ASP A 65 11.085 -5.820 11.656 1.00 0.00 O ATOM 1063 OD2 ASP A 65 10.780 -7.948 12.112 1.00 0.00 O ATOM 0 H ASP A 65 11.003 -5.789 8.399 1.00 0.00 H new ATOM 0 HA ASP A 65 13.029 -5.632 10.313 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.072 -7.656 9.324 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.449 -8.302 10.194 1.00 0.00 H new ATOM 1068 N PRO A 66 14.908 -7.384 9.670 1.00 0.00 N ATOM 1069 CA PRO A 66 16.154 -7.983 9.180 1.00 0.00 C ATOM 1070 C PRO A 66 15.967 -9.415 8.686 1.00 0.00 C ATOM 1071 O PRO A 66 16.926 -10.066 8.272 1.00 0.00 O ATOM 1072 CB PRO A 66 17.039 -7.966 10.422 1.00 0.00 C ATOM 1073 CG PRO A 66 16.080 -8.157 11.542 1.00 0.00 C ATOM 1074 CD PRO A 66 14.831 -7.415 11.144 1.00 0.00 C ATOM 0 HA PRO A 66 16.561 -7.445 8.324 1.00 0.00 H new ATOM 0 HB2 PRO A 66 17.784 -8.761 10.393 1.00 0.00 H new ATOM 0 HB3 PRO A 66 17.580 -7.025 10.515 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.872 -9.215 11.703 1.00 0.00 H new ATOM 0 HG3 PRO A 66 16.486 -7.767 12.475 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.932 -7.926 11.489 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.808 -6.411 11.567 1.00 0.00 H new ATOM 1082 N LYS A 67 14.728 -9.904 8.733 1.00 0.00 N ATOM 1083 CA LYS A 67 14.421 -11.262 8.291 1.00 0.00 C ATOM 1084 C LYS A 67 15.011 -11.543 6.910 1.00 0.00 C ATOM 1085 O LYS A 67 15.255 -12.695 6.554 1.00 0.00 O ATOM 1086 CB LYS A 67 12.907 -11.478 8.263 1.00 0.00 C ATOM 1087 CG LYS A 67 12.140 -10.332 7.622 1.00 0.00 C ATOM 1088 CD LYS A 67 11.498 -10.752 6.310 1.00 0.00 C ATOM 1089 CE LYS A 67 12.513 -10.781 5.178 1.00 0.00 C ATOM 1090 NZ LYS A 67 11.855 -10.796 3.842 1.00 0.00 N ATOM 0 H LYS A 67 13.922 -9.380 9.073 1.00 0.00 H new ATOM 0 HA LYS A 67 14.872 -11.955 9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.690 -12.398 7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.549 -11.618 9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.370 -9.980 8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.816 -9.495 7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.049 -11.739 6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.692 -10.062 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.164 -9.910 5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.146 -11.662 5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.581 -10.816 3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.253 -11.640 3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.271 -9.943 3.733 1.00 0.00 H new ATOM 1104 N PHE A 68 15.236 -10.485 6.138 1.00 0.00 N ATOM 1105 CA PHE A 68 15.796 -10.624 4.798 1.00 0.00 C ATOM 1106 C PHE A 68 17.195 -11.231 4.853 1.00 0.00 C ATOM 1107 O PHE A 68 17.599 -11.966 3.951 1.00 0.00 O ATOM 1108 CB PHE A 68 15.844 -9.267 4.095 1.00 0.00 C ATOM 1109 CG PHE A 68 16.496 -8.190 4.913 1.00 0.00 C ATOM 1110 CD1 PHE A 68 17.868 -8.186 5.112 1.00 0.00 C ATOM 1111 CD2 PHE A 68 15.738 -7.182 5.483 1.00 0.00 C ATOM 1112 CE1 PHE A 68 18.470 -7.196 5.866 1.00 0.00 C ATOM 1113 CE2 PHE A 68 16.333 -6.189 6.238 1.00 0.00 C ATOM 1114 CZ PHE A 68 17.700 -6.195 6.430 1.00 0.00 C ATOM 0 H PHE A 68 15.040 -9.524 6.416 1.00 0.00 H new ATOM 0 HA PHE A 68 15.150 -11.294 4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 68 16.383 -9.374 3.154 1.00 0.00 H new ATOM 0 HB3 PHE A 68 14.828 -8.959 3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 68 18.473 -8.965 4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.668 -7.171 5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 68 19.540 -7.204 6.014 1.00 0.00 H new ATOM 0 HE2 PHE A 68 15.729 -5.409 6.677 1.00 0.00 H new ATOM 0 HZ PHE A 68 18.167 -5.420 7.019 1.00 0.00 H new ATOM 1124 N GLU A 69 17.931 -10.918 5.914 1.00 0.00 N ATOM 1125 CA GLU A 69 19.285 -11.432 6.084 1.00 0.00 C ATOM 1126 C GLU A 69 19.414 -12.207 7.393 1.00 0.00 C ATOM 1127 O GLU A 69 19.392 -13.438 7.401 1.00 0.00 O ATOM 1128 CB GLU A 69 20.297 -10.285 6.053 1.00 0.00 C ATOM 1129 CG GLU A 69 20.786 -9.943 4.655 1.00 0.00 C ATOM 1130 CD GLU A 69 21.151 -8.479 4.507 1.00 0.00 C ATOM 1131 OE1 GLU A 69 22.086 -8.027 5.202 1.00 0.00 O ATOM 1132 OE2 GLU A 69 20.502 -7.785 3.697 1.00 0.00 O ATOM 0 H GLU A 69 17.613 -10.311 6.669 1.00 0.00 H new ATOM 0 HA GLU A 69 19.494 -12.113 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 69 19.843 -9.399 6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.153 -10.550 6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.655 -10.556 4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 69 20.011 -10.195 3.931 1.00 0.00 H new ATOM 1139 N VAL A 70 19.548 -11.479 8.498 1.00 0.00 N ATOM 1140 CA VAL A 70 19.681 -12.101 9.810 1.00 0.00 C ATOM 1141 C VAL A 70 20.973 -12.906 9.907 1.00 0.00 C ATOM 1142 O VAL A 70 20.952 -14.105 10.186 1.00 0.00 O ATOM 1143 CB VAL A 70 18.485 -13.021 10.119 1.00 0.00 C ATOM 1144 CG1 VAL A 70 18.544 -13.510 11.558 1.00 0.00 C ATOM 1145 CG2 VAL A 70 17.173 -12.301 9.846 1.00 0.00 C ATOM 0 H VAL A 70 19.567 -10.459 8.510 1.00 0.00 H new ATOM 0 HA VAL A 70 19.705 -11.295 10.543 1.00 0.00 H new ATOM 0 HB VAL A 70 18.540 -13.890 9.463 1.00 0.00 H new ATOM 0 HG11 VAL A 70 17.691 -14.158 11.757 1.00 0.00 H new ATOM 0 HG12 VAL A 70 19.468 -14.067 11.715 1.00 0.00 H new ATOM 0 HG13 VAL A 70 18.516 -12.655 12.234 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.339 -12.967 10.070 1.00 0.00 H new ATOM 0 HG22 VAL A 70 17.108 -11.413 10.475 1.00 0.00 H new ATOM 0 HG23 VAL A 70 17.131 -12.007 8.797 1.00 0.00 H new ATOM 1155 N VAL A 71 22.097 -12.236 9.676 1.00 0.00 N ATOM 1156 CA VAL A 71 23.400 -12.888 9.737 1.00 0.00 C ATOM 1157 C VAL A 71 24.076 -12.638 11.082 1.00 0.00 C ATOM 1158 O VAL A 71 25.304 -12.616 11.175 1.00 0.00 O ATOM 1159 CB VAL A 71 24.329 -12.397 8.610 1.00 0.00 C ATOM 1160 CG1 VAL A 71 25.577 -13.262 8.531 1.00 0.00 C ATOM 1161 CG2 VAL A 71 23.595 -12.385 7.278 1.00 0.00 C ATOM 0 H VAL A 71 22.132 -11.243 9.445 1.00 0.00 H new ATOM 0 HA VAL A 71 23.225 -13.957 9.613 1.00 0.00 H new ATOM 0 HB VAL A 71 24.636 -11.376 8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 71 26.221 -12.900 7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 71 26.114 -13.213 9.478 1.00 0.00 H new ATOM 0 HG13 VAL A 71 25.292 -14.294 8.329 1.00 0.00 H new ATOM 0 HG21 VAL A 71 24.268 -12.035 6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 71 23.255 -13.393 7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 71 22.735 -11.718 7.342 1.00 0.00 H new ATOM 1171 N GLU A 72 23.266 -12.452 12.120 1.00 0.00 N ATOM 1172 CA GLU A 72 23.783 -12.203 13.462 1.00 0.00 C ATOM 1173 C GLU A 72 24.558 -10.889 13.516 1.00 0.00 C ATOM 1174 O GLU A 72 24.039 -9.871 13.971 1.00 0.00 O ATOM 1175 CB GLU A 72 24.679 -13.362 13.911 1.00 0.00 C ATOM 1176 CG GLU A 72 23.946 -14.419 14.721 1.00 0.00 C ATOM 1177 CD GLU A 72 23.456 -15.571 13.867 1.00 0.00 C ATOM 1178 OE1 GLU A 72 24.209 -16.009 12.972 1.00 0.00 O ATOM 1179 OE2 GLU A 72 22.320 -16.038 14.094 1.00 0.00 O ATOM 0 H GLU A 72 22.248 -12.469 12.058 1.00 0.00 H new ATOM 0 HA GLU A 72 22.934 -12.127 14.142 1.00 0.00 H new ATOM 0 HB2 GLU A 72 25.120 -13.831 13.032 1.00 0.00 H new ATOM 0 HB3 GLU A 72 25.501 -12.965 14.507 1.00 0.00 H new ATOM 0 HG2 GLU A 72 24.610 -14.803 15.496 1.00 0.00 H new ATOM 0 HG3 GLU A 72 23.097 -13.960 15.227 1.00 0.00 H new ATOM 1186 N LYS A 73 25.802 -10.919 13.047 1.00 0.00 N ATOM 1187 CA LYS A 73 26.645 -9.730 13.042 1.00 0.00 C ATOM 1188 C LYS A 73 26.747 -9.140 11.638 1.00 0.00 C ATOM 1189 O LYS A 73 26.574 -9.847 10.644 1.00 0.00 O ATOM 1190 CB LYS A 73 28.041 -10.067 13.568 1.00 0.00 C ATOM 1191 CG LYS A 73 28.028 -10.914 14.830 1.00 0.00 C ATOM 1192 CD LYS A 73 27.477 -10.139 16.016 1.00 0.00 C ATOM 1193 CE LYS A 73 26.794 -11.060 17.014 1.00 0.00 C ATOM 1194 NZ LYS A 73 26.836 -10.508 18.397 1.00 0.00 N ATOM 0 H LYS A 73 26.248 -11.754 12.666 1.00 0.00 H new ATOM 0 HA LYS A 73 26.187 -8.988 13.696 1.00 0.00 H new ATOM 0 HB2 LYS A 73 28.595 -10.595 12.792 1.00 0.00 H new ATOM 0 HB3 LYS A 73 28.578 -9.140 13.768 1.00 0.00 H new ATOM 0 HG2 LYS A 73 27.424 -11.806 14.665 1.00 0.00 H new ATOM 0 HG3 LYS A 73 29.040 -11.252 15.053 1.00 0.00 H new ATOM 0 HD2 LYS A 73 28.287 -9.603 16.510 1.00 0.00 H new ATOM 0 HD3 LYS A 73 26.767 -9.391 15.665 1.00 0.00 H new ATOM 0 HE2 LYS A 73 25.757 -11.214 16.716 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.278 -12.036 16.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 26.360 -11.165 19.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 27.826 -10.385 18.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 26.352 -9.588 18.418 1.00 0.00 H new ATOM 1208 N PRO A 74 27.030 -7.830 11.537 1.00 0.00 N ATOM 1209 CA PRO A 74 27.154 -7.146 10.245 1.00 0.00 C ATOM 1210 C PRO A 74 28.121 -7.857 9.304 1.00 0.00 C ATOM 1211 O PRO A 74 27.995 -7.764 8.083 1.00 0.00 O ATOM 1212 CB PRO A 74 27.693 -5.764 10.623 1.00 0.00 C ATOM 1213 CG PRO A 74 27.246 -5.554 12.028 1.00 0.00 C ATOM 1214 CD PRO A 74 27.251 -6.913 12.671 1.00 0.00 C ATOM 0 HA PRO A 74 26.206 -7.115 9.708 1.00 0.00 H new ATOM 0 HB2 PRO A 74 28.780 -5.728 10.544 1.00 0.00 H new ATOM 0 HB3 PRO A 74 27.299 -4.991 9.963 1.00 0.00 H new ATOM 0 HG2 PRO A 74 27.915 -4.872 12.553 1.00 0.00 H new ATOM 0 HG3 PRO A 74 26.250 -5.111 12.059 1.00 0.00 H new ATOM 0 HD2 PRO A 74 28.197 -7.116 13.173 1.00 0.00 H new ATOM 0 HD3 PRO A 74 26.466 -7.005 13.421 1.00 0.00 H new ATOM 1222 N GLN A 75 29.086 -8.564 9.880 1.00 0.00 N ATOM 1223 CA GLN A 75 30.075 -9.291 9.092 1.00 0.00 C ATOM 1224 C GLN A 75 30.873 -8.338 8.208 1.00 0.00 C ATOM 1225 O GLN A 75 31.252 -8.684 7.089 1.00 0.00 O ATOM 1226 CB GLN A 75 29.390 -10.353 8.230 1.00 0.00 C ATOM 1227 CG GLN A 75 28.611 -11.379 9.034 1.00 0.00 C ATOM 1228 CD GLN A 75 28.764 -12.787 8.489 1.00 0.00 C ATOM 1229 OE1 GLN A 75 28.425 -13.060 7.337 1.00 0.00 O ATOM 1230 NE2 GLN A 75 29.279 -13.688 9.317 1.00 0.00 N ATOM 0 H GLN A 75 29.205 -8.650 10.889 1.00 0.00 H new ATOM 0 HA GLN A 75 30.763 -9.781 9.781 1.00 0.00 H new ATOM 0 HB2 GLN A 75 28.713 -9.861 7.532 1.00 0.00 H new ATOM 0 HB3 GLN A 75 30.144 -10.867 7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 75 28.949 -11.356 10.070 1.00 0.00 H new ATOM 0 HG3 GLN A 75 27.555 -11.107 9.037 1.00 0.00 H new ATOM 0 HE21 GLN A 75 29.546 -13.417 10.263 1.00 0.00 H new ATOM 0 HE22 GLN A 75 29.408 -14.651 9.007 1.00 0.00 H new ATOM 1239 N SER A 76 31.126 -7.137 8.719 1.00 0.00 N ATOM 1240 CA SER A 76 31.879 -6.135 7.976 1.00 0.00 C ATOM 1241 C SER A 76 32.986 -5.536 8.838 1.00 0.00 C ATOM 1242 O SER A 76 32.667 -4.713 9.722 1.00 0.00 O ATOM 1243 CB SER A 76 30.947 -5.027 7.483 1.00 0.00 C ATOM 1244 OG SER A 76 31.680 -3.885 7.076 1.00 0.00 O ATOM 1245 OXT SER A 76 34.163 -5.896 8.622 1.00 0.00 O ATOM 0 H SER A 76 30.820 -6.835 9.644 1.00 0.00 H new ATOM 0 HA SER A 76 32.336 -6.625 7.117 1.00 0.00 H new ATOM 0 HB2 SER A 76 30.349 -5.395 6.649 1.00 0.00 H new ATOM 0 HB3 SER A 76 30.252 -4.753 8.277 1.00 0.00 H new ATOM 0 HG SER A 76 31.060 -3.193 6.764 1.00 0.00 H new TER 1251 SER A 76