USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=17 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 Single : A 1 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.16) USER MOD Single : A 1 ASN N :NH3+ -162:sc= 0 (180deg=-0.389) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= -0.156 (180deg=-0.598) USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= -0.0762 (180deg=-0.439) 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 23 GLN : amide:sc= -1.34 K(o=-1.3,f=-3.3) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.636 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 157:sc= -7.13! USER MOD Single : A 36 GLN : amide:sc= -0.204 K(o=-0.2,f=-2.8!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -147:sc= -0.271 (180deg=-1.58!) USER MOD Single : A 48 GLN : amide:sc= -1.78! K(o=-1.8!,f=-0.92) USER MOD Single : A 49 MET CE :methyl -150:sc= -4.78! (180deg=-6.97!) USER MOD Single : A 50 TYR OH : rot -72:sc= 0.14 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -173:sc= -0.842 (180deg=-0.869) USER MOD Single : A 56 ASN : amide:sc= -0.0293 K(o=-0.029,f=-1.7!) USER MOD Single : A 57 THR OG1 : rot -112:sc= 1.3 USER MOD Single : A 60 ASN : amide:sc= -2.56 K(o=-2.6,f=-8.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.038) USER MOD Single : A 73 LYS NZ :NH3+ -145:sc= -1.06 (180deg=-2.19) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -10.713 -1.312 -4.272 1.00 0.00 N ATOM 2 CA ASN A 1 -11.092 -2.204 -3.145 1.00 0.00 C ATOM 3 C ASN A 1 -12.472 -1.850 -2.601 1.00 0.00 C ATOM 4 O ASN A 1 -12.686 -0.751 -2.091 1.00 0.00 O ATOM 5 CB ASN A 1 -10.040 -2.069 -2.043 1.00 0.00 C ATOM 6 CG ASN A 1 -8.629 -2.258 -2.563 1.00 0.00 C ATOM 7 OD1 ASN A 1 -7.721 -1.498 -2.224 1.00 0.00 O ATOM 8 ND2 ASN A 1 -8.435 -3.277 -3.393 1.00 0.00 N ATOM 0 H1 ASN A 1 -9.939 -1.746 -4.813 1.00 0.00 H new ATOM 0 H2 ASN A 1 -11.534 -1.171 -4.895 1.00 0.00 H new ATOM 0 H3 ASN A 1 -10.401 -0.393 -3.898 1.00 0.00 H new ATOM 0 HA ASN A 1 -11.134 -3.233 -3.502 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -10.125 -1.085 -1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -10.238 -2.805 -1.263 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -7.506 -3.454 -3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -9.215 -3.883 -3.648 1.00 0.00 H new ATOM 16 N LYS A 2 -13.405 -2.789 -2.714 1.00 0.00 N ATOM 17 CA LYS A 2 -14.765 -2.577 -2.233 1.00 0.00 C ATOM 18 C LYS A 2 -15.222 -3.741 -1.359 1.00 0.00 C ATOM 19 O LYS A 2 -15.292 -4.882 -1.815 1.00 0.00 O ATOM 20 CB LYS A 2 -15.724 -2.405 -3.413 1.00 0.00 C ATOM 21 CG LYS A 2 -15.234 -1.414 -4.457 1.00 0.00 C ATOM 22 CD LYS A 2 -15.843 -0.037 -4.246 1.00 0.00 C ATOM 23 CE LYS A 2 -17.016 0.204 -5.182 1.00 0.00 C ATOM 24 NZ LYS A 2 -18.220 -0.574 -4.775 1.00 0.00 N ATOM 0 H LYS A 2 -13.244 -3.704 -3.134 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.772 -1.669 -1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.879 -3.374 -3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -16.693 -2.075 -3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.147 -1.343 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.488 -1.777 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.175 0.060 -3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.083 0.727 -4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.258 1.267 -5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.732 -0.071 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.998 -0.382 -5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.997 -1.590 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.506 -0.294 -3.815 1.00 0.00 H new ATOM 38 N GLU A 3 -15.530 -3.443 -0.101 1.00 0.00 N ATOM 39 CA GLU A 3 -15.980 -4.465 0.837 1.00 0.00 C ATOM 40 C GLU A 3 -14.911 -5.536 1.029 1.00 0.00 C ATOM 41 O GLU A 3 -14.785 -6.454 0.218 1.00 0.00 O ATOM 42 CB GLU A 3 -17.277 -5.107 0.343 1.00 0.00 C ATOM 43 CG GLU A 3 -18.359 -4.097 -0.008 1.00 0.00 C ATOM 44 CD GLU A 3 -18.216 -3.556 -1.417 1.00 0.00 C ATOM 45 OE1 GLU A 3 -17.778 -4.317 -2.304 1.00 0.00 O ATOM 46 OE2 GLU A 3 -18.544 -2.369 -1.632 1.00 0.00 O ATOM 0 H GLU A 3 -15.476 -2.503 0.292 1.00 0.00 H new ATOM 0 HA GLU A 3 -16.164 -3.984 1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.060 -5.715 -0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -17.655 -5.781 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -19.337 -4.566 0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -18.322 -3.270 0.701 1.00 0.00 H new ATOM 53 N LEU A 4 -14.143 -5.412 2.107 1.00 0.00 N ATOM 54 CA LEU A 4 -13.084 -6.369 2.405 1.00 0.00 C ATOM 55 C LEU A 4 -13.051 -6.698 3.894 1.00 0.00 C ATOM 56 O LEU A 4 -13.166 -7.860 4.285 1.00 0.00 O ATOM 57 CB LEU A 4 -11.726 -5.817 1.963 1.00 0.00 C ATOM 58 CG LEU A 4 -11.487 -4.339 2.286 1.00 0.00 C ATOM 59 CD1 LEU A 4 -10.610 -4.197 3.522 1.00 0.00 C ATOM 60 CD2 LEU A 4 -10.855 -3.627 1.099 1.00 0.00 C ATOM 0 H LEU A 4 -14.234 -4.658 2.788 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.292 -7.285 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.941 -6.407 2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.627 -5.958 0.887 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.451 -3.873 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.451 -3.140 3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.101 -4.670 4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.649 -4.679 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.693 -2.578 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.900 -4.095 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.519 -3.697 0.237 1.00 0.00 H new ATOM 72 N ASP A 5 -12.893 -5.666 4.718 1.00 0.00 N ATOM 73 CA ASP A 5 -12.841 -5.830 6.170 1.00 0.00 C ATOM 74 C ASP A 5 -12.344 -4.549 6.833 1.00 0.00 C ATOM 75 O ASP A 5 -11.788 -3.675 6.169 1.00 0.00 O ATOM 76 CB ASP A 5 -11.930 -7.002 6.551 1.00 0.00 C ATOM 77 CG ASP A 5 -12.713 -8.233 6.965 1.00 0.00 C ATOM 78 OD1 ASP A 5 -13.645 -8.095 7.784 1.00 0.00 O ATOM 79 OD2 ASP A 5 -12.393 -9.334 6.470 1.00 0.00 O ATOM 0 H ASP A 5 -12.798 -4.700 4.403 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.850 -6.043 6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.289 -7.250 5.705 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.276 -6.699 7.369 1.00 0.00 H new ATOM 84 N PRO A 6 -12.537 -4.419 8.156 1.00 0.00 N ATOM 85 CA PRO A 6 -12.107 -3.240 8.904 1.00 0.00 C ATOM 86 C PRO A 6 -10.647 -3.322 9.346 1.00 0.00 C ATOM 87 O PRO A 6 -10.317 -2.992 10.484 1.00 0.00 O ATOM 88 CB PRO A 6 -13.033 -3.265 10.115 1.00 0.00 C ATOM 89 CG PRO A 6 -13.276 -4.714 10.369 1.00 0.00 C ATOM 90 CD PRO A 6 -13.195 -5.410 9.030 1.00 0.00 C ATOM 0 HA PRO A 6 -12.163 -2.328 8.310 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.572 -2.783 10.977 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.964 -2.736 9.914 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.534 -5.116 11.059 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.253 -4.868 10.827 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.618 -6.333 9.093 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.184 -5.677 8.658 1.00 0.00 H new ATOM 98 N VAL A 7 -9.778 -3.759 8.439 1.00 0.00 N ATOM 99 CA VAL A 7 -8.356 -3.880 8.740 1.00 0.00 C ATOM 100 C VAL A 7 -7.526 -3.927 7.462 1.00 0.00 C ATOM 101 O VAL A 7 -6.568 -3.171 7.307 1.00 0.00 O ATOM 102 CB VAL A 7 -8.057 -5.134 9.584 1.00 0.00 C ATOM 103 CG1 VAL A 7 -8.448 -4.909 11.035 1.00 0.00 C ATOM 104 CG2 VAL A 7 -8.772 -6.350 9.013 1.00 0.00 C ATOM 0 H VAL A 7 -10.034 -4.035 7.491 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.082 -2.996 9.316 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.984 -5.324 9.547 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.229 -5.806 11.614 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.882 -4.069 11.438 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.514 -4.690 11.095 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.547 -7.224 9.624 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -9.848 -6.173 9.014 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.434 -6.524 7.992 1.00 0.00 H new ATOM 114 N GLN A 8 -7.900 -4.816 6.545 1.00 0.00 N ATOM 115 CA GLN A 8 -7.186 -4.947 5.280 1.00 0.00 C ATOM 116 C GLN A 8 -7.114 -3.596 4.573 1.00 0.00 C ATOM 117 O GLN A 8 -6.086 -3.237 4.000 1.00 0.00 O ATOM 118 CB GLN A 8 -7.871 -5.988 4.386 1.00 0.00 C ATOM 119 CG GLN A 8 -7.358 -6.004 2.953 1.00 0.00 C ATOM 120 CD GLN A 8 -7.122 -7.410 2.435 1.00 0.00 C ATOM 121 OE1 GLN A 8 -5.993 -7.785 2.120 1.00 0.00 O ATOM 122 NE2 GLN A 8 -8.190 -8.194 2.343 1.00 0.00 N ATOM 0 H GLN A 8 -8.689 -5.453 6.654 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.170 -5.285 5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.730 -6.977 4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.944 -5.794 4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.077 -5.499 2.308 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.427 -5.439 2.898 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.107 -7.841 2.616 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.093 -9.150 2.000 1.00 0.00 H new ATOM 131 N LYS A 9 -8.209 -2.842 4.640 1.00 0.00 N ATOM 132 CA LYS A 9 -8.262 -1.521 4.027 1.00 0.00 C ATOM 133 C LYS A 9 -7.391 -0.556 4.816 1.00 0.00 C ATOM 134 O LYS A 9 -6.690 0.280 4.245 1.00 0.00 O ATOM 135 CB LYS A 9 -9.702 -1.008 3.978 1.00 0.00 C ATOM 136 CG LYS A 9 -10.377 -0.955 5.340 1.00 0.00 C ATOM 137 CD LYS A 9 -11.788 -0.398 5.241 1.00 0.00 C ATOM 138 CE LYS A 9 -11.781 1.067 4.834 1.00 0.00 C ATOM 139 NZ LYS A 9 -10.808 1.861 5.633 1.00 0.00 N ATOM 0 H LYS A 9 -9.068 -3.124 5.112 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.888 -1.592 3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.708 -0.010 3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.285 -1.650 3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.409 -1.956 5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.787 -0.336 6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.358 -0.976 4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.292 -0.508 6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.533 1.148 3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.780 1.484 4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.006 2.875 5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.895 1.607 6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.842 1.656 5.307 1.00 0.00 H new ATOM 153 N LEU A 10 -7.429 -0.696 6.137 1.00 0.00 N ATOM 154 CA LEU A 10 -6.632 0.144 7.021 1.00 0.00 C ATOM 155 C LEU A 10 -5.150 -0.044 6.722 1.00 0.00 C ATOM 156 O LEU A 10 -4.347 0.874 6.893 1.00 0.00 O ATOM 157 CB LEU A 10 -6.926 -0.206 8.484 1.00 0.00 C ATOM 158 CG LEU A 10 -6.006 0.455 9.510 1.00 0.00 C ATOM 159 CD1 LEU A 10 -6.759 0.731 10.802 1.00 0.00 C ATOM 160 CD2 LEU A 10 -4.789 -0.419 9.775 1.00 0.00 C ATOM 0 H LEU A 10 -8.005 -1.386 6.619 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.895 1.188 6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.955 0.075 8.708 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.858 -1.287 8.603 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.663 1.407 9.104 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.088 1.202 11.521 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.598 1.396 10.599 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.131 -0.207 11.214 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.145 0.067 10.508 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.112 -1.386 10.161 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.237 -0.565 8.847 1.00 0.00 H new ATOM 172 N PHE A 11 -4.800 -1.242 6.263 1.00 0.00 N ATOM 173 CA PHE A 11 -3.422 -1.563 5.924 1.00 0.00 C ATOM 174 C PHE A 11 -2.928 -0.673 4.794 1.00 0.00 C ATOM 175 O PHE A 11 -1.926 0.023 4.931 1.00 0.00 O ATOM 176 CB PHE A 11 -3.310 -3.032 5.514 1.00 0.00 C ATOM 177 CG PHE A 11 -2.076 -3.712 6.028 1.00 0.00 C ATOM 178 CD1 PHE A 11 -0.821 -3.330 5.582 1.00 0.00 C ATOM 179 CD2 PHE A 11 -2.172 -4.733 6.958 1.00 0.00 C ATOM 180 CE1 PHE A 11 0.316 -3.956 6.056 1.00 0.00 C ATOM 181 CE2 PHE A 11 -1.038 -5.363 7.436 1.00 0.00 C ATOM 182 CZ PHE A 11 0.208 -4.974 6.984 1.00 0.00 C ATOM 0 H PHE A 11 -5.457 -2.008 6.118 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.802 -1.388 6.803 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.187 -3.568 5.877 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.323 -3.098 4.426 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.731 -2.535 4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.144 -5.041 7.314 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.289 -3.650 5.701 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.126 -6.158 8.162 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.096 -5.464 7.355 1.00 0.00 H new ATOM 192 N VAL A 12 -3.644 -0.699 3.676 1.00 0.00 N ATOM 193 CA VAL A 12 -3.280 0.107 2.519 1.00 0.00 C ATOM 194 C VAL A 12 -3.099 1.575 2.902 1.00 0.00 C ATOM 195 O VAL A 12 -2.383 2.315 2.230 1.00 0.00 O ATOM 196 CB VAL A 12 -4.341 -0.002 1.407 1.00 0.00 C ATOM 197 CG1 VAL A 12 -3.933 0.811 0.188 1.00 0.00 C ATOM 198 CG2 VAL A 12 -4.571 -1.458 1.030 1.00 0.00 C ATOM 0 H VAL A 12 -4.480 -1.270 3.547 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.333 -0.282 2.145 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.277 0.407 1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.697 0.719 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.826 1.859 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.983 0.439 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.323 -1.516 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.638 -1.893 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.917 -2.010 1.904 1.00 0.00 H new ATOM 208 N ASP A 13 -3.749 1.989 3.987 1.00 0.00 N ATOM 209 CA ASP A 13 -3.646 3.368 4.448 1.00 0.00 C ATOM 210 C ASP A 13 -2.597 3.511 5.547 1.00 0.00 C ATOM 211 O ASP A 13 -2.476 4.568 6.164 1.00 0.00 O ATOM 212 CB ASP A 13 -5.002 3.869 4.946 1.00 0.00 C ATOM 213 CG ASP A 13 -5.868 4.407 3.823 1.00 0.00 C ATOM 214 OD1 ASP A 13 -5.307 4.829 2.790 1.00 0.00 O ATOM 215 OD2 ASP A 13 -7.107 4.406 3.978 1.00 0.00 O ATOM 0 H ASP A 13 -4.348 1.393 4.559 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.332 3.977 3.600 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.526 3.055 5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.847 4.652 5.688 1.00 0.00 H new ATOM 220 N LYS A 14 -1.819 2.455 5.766 1.00 0.00 N ATOM 221 CA LYS A 14 -0.762 2.483 6.762 1.00 0.00 C ATOM 222 C LYS A 14 0.556 2.189 6.080 1.00 0.00 C ATOM 223 O LYS A 14 1.597 2.731 6.448 1.00 0.00 O ATOM 224 CB LYS A 14 -1.040 1.487 7.898 1.00 0.00 C ATOM 225 CG LYS A 14 -0.615 0.055 7.598 1.00 0.00 C ATOM 226 CD LYS A 14 0.727 -0.275 8.232 1.00 0.00 C ATOM 227 CE LYS A 14 0.681 -0.139 9.745 1.00 0.00 C ATOM 228 NZ LYS A 14 -0.570 -0.708 10.319 1.00 0.00 N ATOM 0 H LYS A 14 -1.904 1.571 5.265 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.719 3.472 7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.524 1.826 8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.107 1.497 8.121 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.373 -0.635 7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.554 -0.088 6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.015 -1.292 7.966 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.493 0.388 7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.543 -0.645 10.181 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.758 0.914 10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.408 -0.970 11.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.329 0.001 10.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.847 -1.552 9.779 1.00 0.00 H new ATOM 242 N ILE A 15 0.492 1.362 5.047 1.00 0.00 N ATOM 243 CA ILE A 15 1.667 1.045 4.281 1.00 0.00 C ATOM 244 C ILE A 15 1.916 2.159 3.268 1.00 0.00 C ATOM 245 O ILE A 15 2.996 2.281 2.695 1.00 0.00 O ATOM 246 CB ILE A 15 1.536 -0.307 3.566 1.00 0.00 C ATOM 247 CG1 ILE A 15 0.299 -0.324 2.681 1.00 0.00 C ATOM 248 CG2 ILE A 15 1.484 -1.438 4.581 1.00 0.00 C ATOM 249 CD1 ILE A 15 0.223 -1.561 1.829 1.00 0.00 C ATOM 0 H ILE A 15 -0.362 0.905 4.728 1.00 0.00 H new ATOM 0 HA ILE A 15 2.513 0.965 4.964 1.00 0.00 H new ATOM 0 HB ILE A 15 2.411 -0.451 2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.592 -0.260 3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.302 0.557 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.391 -2.391 4.060 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.398 -1.437 5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.625 -1.298 5.238 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.677 -1.526 1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.100 -1.613 1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.191 -2.442 2.469 1.00 0.00 H new ATOM 261 N ARG A 16 0.926 3.017 3.076 1.00 0.00 N ATOM 262 CA ARG A 16 1.100 4.137 2.180 1.00 0.00 C ATOM 263 C ARG A 16 1.615 5.325 2.978 1.00 0.00 C ATOM 264 O ARG A 16 1.754 6.428 2.451 1.00 0.00 O ATOM 265 CB ARG A 16 -0.210 4.484 1.472 1.00 0.00 C ATOM 266 CG ARG A 16 -0.102 5.684 0.544 1.00 0.00 C ATOM 267 CD ARG A 16 -0.630 6.949 1.203 1.00 0.00 C ATOM 268 NE ARG A 16 0.118 8.134 0.788 1.00 0.00 N ATOM 269 CZ ARG A 16 0.059 8.657 -0.434 1.00 0.00 C ATOM 270 NH1 ARG A 16 -0.710 8.104 -1.365 1.00 0.00 N ATOM 271 NH2 ARG A 16 0.770 9.738 -0.727 1.00 0.00 N ATOM 0 H ARG A 16 0.011 2.958 3.522 1.00 0.00 H new ATOM 0 HA ARG A 16 1.823 3.873 1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.542 3.620 0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.976 4.683 2.221 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.939 5.830 0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.661 5.489 -0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.683 7.077 0.950 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.573 6.845 2.286 1.00 0.00 H new ATOM 0 HE ARG A 16 0.721 8.587 1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.260 7.273 -1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.751 8.510 -2.300 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.361 10.168 -0.016 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.725 10.139 -1.664 1.00 0.00 H new ATOM 285 N GLU A 17 1.892 5.085 4.266 1.00 0.00 N ATOM 286 CA GLU A 17 2.389 6.123 5.147 1.00 0.00 C ATOM 287 C GLU A 17 3.842 5.861 5.556 1.00 0.00 C ATOM 288 O GLU A 17 4.565 6.783 5.931 1.00 0.00 O ATOM 289 CB GLU A 17 1.481 6.223 6.376 1.00 0.00 C ATOM 290 CG GLU A 17 2.207 6.096 7.709 1.00 0.00 C ATOM 291 CD GLU A 17 1.304 6.379 8.894 1.00 0.00 C ATOM 292 OE1 GLU A 17 0.088 6.115 8.791 1.00 0.00 O ATOM 293 OE2 GLU A 17 1.813 6.866 9.925 1.00 0.00 O ATOM 0 H GLU A 17 1.776 4.175 4.712 1.00 0.00 H new ATOM 0 HA GLU A 17 2.374 7.073 4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.960 7.180 6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.721 5.444 6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.617 5.090 7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.050 6.786 7.726 1.00 0.00 H new ATOM 300 N TYR A 18 4.262 4.609 5.464 1.00 0.00 N ATOM 301 CA TYR A 18 5.629 4.239 5.806 1.00 0.00 C ATOM 302 C TYR A 18 6.483 4.163 4.540 1.00 0.00 C ATOM 303 O TYR A 18 7.687 4.415 4.578 1.00 0.00 O ATOM 304 CB TYR A 18 5.656 2.889 6.534 1.00 0.00 C ATOM 305 CG TYR A 18 5.631 1.731 5.575 1.00 0.00 C ATOM 306 CD1 TYR A 18 4.620 1.648 4.651 1.00 0.00 C ATOM 307 CD2 TYR A 18 6.620 0.760 5.560 1.00 0.00 C ATOM 308 CE1 TYR A 18 4.567 0.643 3.735 1.00 0.00 C ATOM 309 CE2 TYR A 18 6.584 -0.266 4.634 1.00 0.00 C ATOM 310 CZ TYR A 18 5.552 -0.321 3.719 1.00 0.00 C ATOM 311 OH TYR A 18 5.505 -1.337 2.792 1.00 0.00 O ATOM 0 H TYR A 18 3.678 3.832 5.156 1.00 0.00 H new ATOM 0 HA TYR A 18 6.038 5.001 6.469 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.552 2.828 7.152 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.800 2.822 7.206 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.845 2.401 4.651 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.426 0.805 6.278 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.756 0.601 3.023 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.358 -1.019 4.627 1.00 0.00 H new ATOM 0 HH TYR A 18 6.275 -1.930 2.918 1.00 0.00 H new ATOM 321 N ARG A 19 5.849 3.825 3.413 1.00 0.00 N ATOM 322 CA ARG A 19 6.559 3.736 2.145 1.00 0.00 C ATOM 323 C ARG A 19 6.700 5.125 1.553 1.00 0.00 C ATOM 324 O ARG A 19 7.666 5.430 0.854 1.00 0.00 O ATOM 325 CB ARG A 19 5.819 2.818 1.173 1.00 0.00 C ATOM 326 CG ARG A 19 6.531 2.645 -0.161 1.00 0.00 C ATOM 327 CD ARG A 19 5.567 2.223 -1.256 1.00 0.00 C ATOM 328 NE ARG A 19 6.141 2.403 -2.589 1.00 0.00 N ATOM 329 CZ ARG A 19 7.029 1.574 -3.131 1.00 0.00 C ATOM 330 NH1 ARG A 19 7.449 0.508 -2.460 1.00 0.00 N ATOM 331 NH2 ARG A 19 7.500 1.810 -4.348 1.00 0.00 N ATOM 0 H ARG A 19 4.853 3.611 3.358 1.00 0.00 H new ATOM 0 HA ARG A 19 7.548 3.313 2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.690 1.840 1.636 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.822 3.220 0.994 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.014 3.581 -0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.318 1.898 -0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.295 1.177 -1.116 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.649 2.805 -1.175 1.00 0.00 H new ATOM 0 HE ARG A 19 5.843 3.211 -3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.091 0.321 -1.524 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.130 -0.124 -2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.181 2.627 -4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.181 1.174 -4.763 1.00 0.00 H new ATOM 345 N THR A 20 5.727 5.968 1.867 1.00 0.00 N ATOM 346 CA THR A 20 5.717 7.343 1.408 1.00 0.00 C ATOM 347 C THR A 20 6.942 8.080 1.935 1.00 0.00 C ATOM 348 O THR A 20 7.534 8.902 1.237 1.00 0.00 O ATOM 349 CB THR A 20 4.446 8.022 1.907 1.00 0.00 C ATOM 350 OG1 THR A 20 4.587 9.431 1.928 1.00 0.00 O ATOM 351 CG2 THR A 20 4.076 7.571 3.292 1.00 0.00 C ATOM 0 H THR A 20 4.926 5.716 2.446 1.00 0.00 H new ATOM 0 HA THR A 20 5.742 7.365 0.318 1.00 0.00 H new ATOM 0 HB THR A 20 3.659 7.736 1.209 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.756 9.838 2.251 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.165 8.079 3.609 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.909 6.494 3.292 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.885 7.813 3.982 1.00 0.00 H new ATOM 359 N LYS A 21 7.321 7.773 3.175 1.00 0.00 N ATOM 360 CA LYS A 21 8.480 8.402 3.793 1.00 0.00 C ATOM 361 C LYS A 21 9.767 7.927 3.128 1.00 0.00 C ATOM 362 O LYS A 21 10.770 8.641 3.107 1.00 0.00 O ATOM 363 CB LYS A 21 8.519 8.095 5.291 1.00 0.00 C ATOM 364 CG LYS A 21 7.863 9.166 6.148 1.00 0.00 C ATOM 365 CD LYS A 21 6.419 9.402 5.737 1.00 0.00 C ATOM 366 CE LYS A 21 5.604 9.992 6.876 1.00 0.00 C ATOM 367 NZ LYS A 21 5.738 11.474 6.943 1.00 0.00 N ATOM 0 H LYS A 21 6.842 7.094 3.767 1.00 0.00 H new ATOM 0 HA LYS A 21 8.396 9.480 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.022 7.142 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.557 7.977 5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.900 8.868 7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.424 10.097 6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.389 10.075 4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.972 8.460 5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.554 9.728 6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.929 9.555 7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.168 11.839 7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.736 11.726 7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.404 11.893 6.052 1.00 0.00 H new ATOM 381 N ARG A 22 9.731 6.715 2.582 1.00 0.00 N ATOM 382 CA ARG A 22 10.893 6.143 1.913 1.00 0.00 C ATOM 383 C ARG A 22 11.143 6.828 0.571 1.00 0.00 C ATOM 384 O ARG A 22 12.244 6.752 0.025 1.00 0.00 O ATOM 385 CB ARG A 22 10.702 4.639 1.702 1.00 0.00 C ATOM 386 CG ARG A 22 10.165 3.911 2.926 1.00 0.00 C ATOM 387 CD ARG A 22 11.274 3.217 3.698 1.00 0.00 C ATOM 388 NE ARG A 22 11.034 3.237 5.139 1.00 0.00 N ATOM 389 CZ ARG A 22 11.160 4.322 5.898 1.00 0.00 C ATOM 390 NH1 ARG A 22 11.529 5.478 5.359 1.00 0.00 N ATOM 391 NH2 ARG A 22 10.918 4.253 7.200 1.00 0.00 N ATOM 0 H ARG A 22 8.909 6.111 2.590 1.00 0.00 H new ATOM 0 HA ARG A 22 11.761 6.305 2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.018 4.482 0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.657 4.197 1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.657 4.621 3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.422 3.176 2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.360 2.185 3.359 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.225 3.704 3.482 1.00 0.00 H new ATOM 0 HE ARG A 22 10.753 2.366 5.590 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.717 5.537 4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.624 6.307 5.946 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.635 3.368 7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.015 5.085 7.782 1.00 0.00 H new ATOM 405 N GLN A 23 10.119 7.495 0.041 1.00 0.00 N ATOM 406 CA GLN A 23 10.241 8.188 -1.238 1.00 0.00 C ATOM 407 C GLN A 23 11.226 9.355 -1.149 1.00 0.00 C ATOM 408 O GLN A 23 11.667 9.880 -2.171 1.00 0.00 O ATOM 409 CB GLN A 23 8.867 8.684 -1.705 1.00 0.00 C ATOM 410 CG GLN A 23 8.456 10.026 -1.116 1.00 0.00 C ATOM 411 CD GLN A 23 6.952 10.214 -1.087 1.00 0.00 C ATOM 412 OE1 GLN A 23 6.203 9.401 -1.628 1.00 0.00 O ATOM 413 NE2 GLN A 23 6.502 11.292 -0.454 1.00 0.00 N ATOM 0 H GLN A 23 9.200 7.569 0.476 1.00 0.00 H new ATOM 0 HA GLN A 23 10.630 7.479 -1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.872 8.763 -2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.116 7.939 -1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.848 10.109 -0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 23 8.908 10.828 -1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.159 11.940 -0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.499 11.472 -0.403 1.00 0.00 H new ATOM 422 N THR A 24 11.563 9.759 0.077 1.00 0.00 N ATOM 423 CA THR A 24 12.492 10.869 0.309 1.00 0.00 C ATOM 424 C THR A 24 12.160 12.073 -0.580 1.00 0.00 C ATOM 425 O THR A 24 11.383 12.943 -0.186 1.00 0.00 O ATOM 426 CB THR A 24 13.953 10.422 0.108 1.00 0.00 C ATOM 427 OG1 THR A 24 14.756 11.499 -0.341 1.00 0.00 O ATOM 428 CG2 THR A 24 14.125 9.283 -0.878 1.00 0.00 C ATOM 0 H THR A 24 11.204 9.331 0.931 1.00 0.00 H new ATOM 0 HA THR A 24 12.375 11.182 1.347 1.00 0.00 H new ATOM 0 HB THR A 24 14.267 10.071 1.091 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.679 11.192 -0.460 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.182 9.030 -0.961 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.570 8.412 -0.529 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.747 9.587 -1.854 1.00 0.00 H new ATOM 436 N SER A 25 12.747 12.124 -1.773 1.00 0.00 N ATOM 437 CA SER A 25 12.504 13.227 -2.698 1.00 0.00 C ATOM 438 C SER A 25 11.018 13.360 -3.011 1.00 0.00 C ATOM 439 O SER A 25 10.206 12.542 -2.581 1.00 0.00 O ATOM 440 CB SER A 25 13.293 13.016 -3.992 1.00 0.00 C ATOM 441 OG SER A 25 12.698 12.010 -4.794 1.00 0.00 O ATOM 0 H SER A 25 13.393 11.416 -2.121 1.00 0.00 H new ATOM 0 HA SER A 25 12.839 14.148 -2.221 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.339 13.951 -4.550 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.319 12.736 -3.754 1.00 0.00 H new ATOM 0 HG SER A 25 13.220 11.895 -5.616 1.00 0.00 H new ATOM 447 N GLY A 26 10.667 14.400 -3.763 1.00 0.00 N ATOM 448 CA GLY A 26 9.279 14.623 -4.122 1.00 0.00 C ATOM 449 C GLY A 26 8.679 13.454 -4.876 1.00 0.00 C ATOM 450 O GLY A 26 7.566 13.019 -4.579 1.00 0.00 O ATOM 0 H GLY A 26 11.320 15.092 -4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.698 14.804 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.205 15.522 -4.734 1.00 0.00 H new ATOM 454 N GLY A 27 9.418 12.943 -5.856 1.00 0.00 N ATOM 455 CA GLY A 27 8.937 11.820 -6.640 1.00 0.00 C ATOM 456 C GLY A 27 8.614 10.608 -5.782 1.00 0.00 C ATOM 457 O GLY A 27 9.521 9.983 -5.230 1.00 0.00 O ATOM 0 H GLY A 27 10.341 13.287 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.045 12.120 -7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.690 11.548 -7.379 1.00 0.00 H new ATOM 461 N PRO A 28 7.325 10.247 -5.645 1.00 0.00 N ATOM 462 CA PRO A 28 6.913 9.095 -4.838 1.00 0.00 C ATOM 463 C PRO A 28 7.384 7.773 -5.434 1.00 0.00 C ATOM 464 O PRO A 28 7.783 6.861 -4.711 1.00 0.00 O ATOM 465 CB PRO A 28 5.384 9.173 -4.850 1.00 0.00 C ATOM 466 CG PRO A 28 5.051 9.946 -6.078 1.00 0.00 C ATOM 467 CD PRO A 28 6.172 10.930 -6.262 1.00 0.00 C ATOM 0 HA PRO A 28 7.344 9.127 -3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.938 8.179 -4.875 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.006 9.669 -3.956 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.963 9.288 -6.942 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.095 10.459 -5.970 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.349 11.146 -7.316 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.958 11.880 -5.773 1.00 0.00 H new ATOM 475 N VAL A 29 7.337 7.678 -6.760 1.00 0.00 N ATOM 476 CA VAL A 29 7.761 6.468 -7.454 1.00 0.00 C ATOM 477 C VAL A 29 8.164 6.771 -8.894 1.00 0.00 C ATOM 478 O VAL A 29 8.068 5.911 -9.770 1.00 0.00 O ATOM 479 CB VAL A 29 6.648 5.402 -7.459 1.00 0.00 C ATOM 480 CG1 VAL A 29 6.483 4.797 -6.073 1.00 0.00 C ATOM 481 CG2 VAL A 29 5.338 5.998 -7.950 1.00 0.00 C ATOM 0 H VAL A 29 7.010 8.424 -7.374 1.00 0.00 H new ATOM 0 HA VAL A 29 8.623 6.080 -6.912 1.00 0.00 H new ATOM 0 HB VAL A 29 6.936 4.606 -8.146 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.693 4.046 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.419 4.330 -5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.219 5.581 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.565 5.230 -7.946 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.041 6.815 -7.293 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.468 6.377 -8.964 1.00 0.00 H new ATOM 491 N ASP A 30 8.616 7.999 -9.133 1.00 0.00 N ATOM 492 CA ASP A 30 9.036 8.414 -10.467 1.00 0.00 C ATOM 493 C ASP A 30 7.904 8.239 -11.476 1.00 0.00 C ATOM 494 O ASP A 30 8.145 7.971 -12.653 1.00 0.00 O ATOM 495 CB ASP A 30 10.260 7.613 -10.913 1.00 0.00 C ATOM 496 CG ASP A 30 11.244 8.452 -11.704 1.00 0.00 C ATOM 497 OD1 ASP A 30 10.794 9.346 -12.451 1.00 0.00 O ATOM 498 OD2 ASP A 30 12.463 8.214 -11.577 1.00 0.00 O ATOM 0 H ASP A 30 8.701 8.724 -8.420 1.00 0.00 H new ATOM 0 HA ASP A 30 9.298 9.471 -10.423 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.760 7.201 -10.036 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.936 6.768 -11.521 1.00 0.00 H new ATOM 503 N ALA A 31 6.670 8.392 -11.007 1.00 0.00 N ATOM 504 CA ALA A 31 5.502 8.250 -11.868 1.00 0.00 C ATOM 505 C ALA A 31 4.776 9.581 -12.034 1.00 0.00 C ATOM 506 O ALA A 31 4.225 9.871 -13.096 1.00 0.00 O ATOM 507 CB ALA A 31 4.558 7.198 -11.307 1.00 0.00 C ATOM 0 H ALA A 31 6.453 8.614 -10.035 1.00 0.00 H new ATOM 0 HA ALA A 31 5.844 7.928 -12.852 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.690 7.102 -11.960 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.075 6.240 -11.248 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.231 7.496 -10.311 1.00 0.00 H new ATOM 513 N GLY A 32 4.779 10.387 -10.977 1.00 0.00 N ATOM 514 CA GLY A 32 4.117 11.677 -11.024 1.00 0.00 C ATOM 515 C GLY A 32 3.079 11.835 -9.928 1.00 0.00 C ATOM 516 O GLY A 32 2.437 10.861 -9.536 1.00 0.00 O ATOM 0 H GLY A 32 5.229 10.169 -10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.861 12.468 -10.932 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.638 11.801 -11.995 1.00 0.00 H new ATOM 520 N PRO A 33 2.890 13.059 -9.407 1.00 0.00 N ATOM 521 CA PRO A 33 1.916 13.322 -8.344 1.00 0.00 C ATOM 522 C PRO A 33 0.480 13.295 -8.849 1.00 0.00 C ATOM 523 O PRO A 33 -0.235 14.297 -8.782 1.00 0.00 O ATOM 524 CB PRO A 33 2.292 14.723 -7.862 1.00 0.00 C ATOM 525 CG PRO A 33 2.908 15.376 -9.049 1.00 0.00 C ATOM 526 CD PRO A 33 3.611 14.282 -9.810 1.00 0.00 C ATOM 0 HA PRO A 33 1.950 12.564 -7.562 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.416 15.272 -7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.990 14.680 -7.026 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.149 15.855 -9.668 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.610 16.153 -8.746 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.556 14.443 -10.887 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.668 14.228 -9.550 1.00 0.00 H new ATOM 534 N GLU A 34 0.059 12.138 -9.345 1.00 0.00 N ATOM 535 CA GLU A 34 -1.295 11.970 -9.848 1.00 0.00 C ATOM 536 C GLU A 34 -1.531 10.529 -10.279 1.00 0.00 C ATOM 537 O GLU A 34 -1.551 10.210 -11.468 1.00 0.00 O ATOM 538 CB GLU A 34 -1.566 12.927 -11.010 1.00 0.00 C ATOM 539 CG GLU A 34 -2.983 13.476 -11.028 1.00 0.00 C ATOM 540 CD GLU A 34 -3.318 14.184 -12.326 1.00 0.00 C ATOM 541 OE1 GLU A 34 -3.580 13.489 -13.330 1.00 0.00 O ATOM 542 OE2 GLU A 34 -3.319 15.432 -12.337 1.00 0.00 O ATOM 0 H GLU A 34 0.639 11.301 -9.409 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.988 12.208 -9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.864 13.759 -10.956 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.374 12.408 -11.949 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.687 12.659 -10.872 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.110 14.170 -10.197 1.00 0.00 H new ATOM 549 N TYR A 35 -1.681 9.666 -9.289 1.00 0.00 N ATOM 550 CA TYR A 35 -1.888 8.241 -9.514 1.00 0.00 C ATOM 551 C TYR A 35 -2.078 7.527 -8.176 1.00 0.00 C ATOM 552 O TYR A 35 -1.688 6.370 -8.023 1.00 0.00 O ATOM 553 CB TYR A 35 -0.665 7.660 -10.210 1.00 0.00 C ATOM 554 CG TYR A 35 0.503 7.617 -9.268 1.00 0.00 C ATOM 555 CD1 TYR A 35 0.917 8.775 -8.642 1.00 0.00 C ATOM 556 CD2 TYR A 35 1.141 6.431 -8.956 1.00 0.00 C ATOM 557 CE1 TYR A 35 1.944 8.771 -7.739 1.00 0.00 C ATOM 558 CE2 TYR A 35 2.172 6.406 -8.043 1.00 0.00 C ATOM 559 CZ TYR A 35 2.575 7.581 -7.434 1.00 0.00 C ATOM 560 OH TYR A 35 3.604 7.563 -6.522 1.00 0.00 O ATOM 0 H TYR A 35 -1.663 9.931 -8.304 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.775 8.102 -10.132 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.887 6.655 -10.570 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -0.414 8.263 -11.083 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.419 9.706 -8.870 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.828 5.514 -9.433 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.259 9.691 -7.268 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.663 5.474 -7.804 1.00 0.00 H new ATOM 0 HH TYR A 35 3.693 6.662 -6.147 1.00 0.00 H new ATOM 570 N GLN A 36 -2.654 8.227 -7.204 1.00 0.00 N ATOM 571 CA GLN A 36 -2.877 7.668 -5.869 1.00 0.00 C ATOM 572 C GLN A 36 -3.519 6.283 -5.931 1.00 0.00 C ATOM 573 O GLN A 36 -3.543 5.558 -4.937 1.00 0.00 O ATOM 574 CB GLN A 36 -3.755 8.609 -5.043 1.00 0.00 C ATOM 575 CG GLN A 36 -3.000 9.791 -4.459 1.00 0.00 C ATOM 576 CD GLN A 36 -3.167 11.054 -5.282 1.00 0.00 C ATOM 577 OE1 GLN A 36 -3.989 11.109 -6.196 1.00 0.00 O ATOM 578 NE2 GLN A 36 -2.382 12.077 -4.961 1.00 0.00 N ATOM 0 H GLN A 36 -2.978 9.188 -7.314 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.902 7.563 -5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.565 8.980 -5.671 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.214 8.045 -4.231 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.350 9.975 -3.443 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.941 9.543 -4.391 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.714 11.987 -4.195 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.447 12.952 -5.480 1.00 0.00 H new ATOM 587 N GLN A 37 -4.038 5.920 -7.098 1.00 0.00 N ATOM 588 CA GLN A 37 -4.676 4.621 -7.278 1.00 0.00 C ATOM 589 C GLN A 37 -3.686 3.588 -7.807 1.00 0.00 C ATOM 590 O GLN A 37 -3.888 2.384 -7.647 1.00 0.00 O ATOM 591 CB GLN A 37 -5.867 4.740 -8.230 1.00 0.00 C ATOM 592 CG GLN A 37 -6.933 5.713 -7.753 1.00 0.00 C ATOM 593 CD GLN A 37 -8.016 5.945 -8.788 1.00 0.00 C ATOM 594 OE1 GLN A 37 -8.127 7.030 -9.356 1.00 0.00 O ATOM 595 NE2 GLN A 37 -8.824 4.920 -9.039 1.00 0.00 N ATOM 0 H GLN A 37 -4.030 6.506 -7.933 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.031 4.285 -6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.508 5.058 -9.209 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.317 3.756 -8.360 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.386 5.330 -6.838 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.465 6.665 -7.503 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.696 4.037 -8.545 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.572 5.016 -9.726 1.00 0.00 H new ATOM 604 N ASP A 38 -2.611 4.062 -8.428 1.00 0.00 N ATOM 605 CA ASP A 38 -1.590 3.175 -8.966 1.00 0.00 C ATOM 606 C ASP A 38 -0.517 2.901 -7.916 1.00 0.00 C ATOM 607 O ASP A 38 0.210 1.913 -7.999 1.00 0.00 O ATOM 608 CB ASP A 38 -0.964 3.792 -10.220 1.00 0.00 C ATOM 609 CG ASP A 38 -1.295 3.011 -11.476 1.00 0.00 C ATOM 610 OD1 ASP A 38 -1.269 1.763 -11.423 1.00 0.00 O ATOM 611 OD2 ASP A 38 -1.581 3.646 -12.512 1.00 0.00 O ATOM 0 H ASP A 38 -2.426 5.055 -8.570 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.057 2.228 -9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.315 4.818 -10.331 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.118 3.837 -10.098 1.00 0.00 H new ATOM 616 N LEU A 39 -0.435 3.783 -6.923 1.00 0.00 N ATOM 617 CA LEU A 39 0.536 3.640 -5.849 1.00 0.00 C ATOM 618 C LEU A 39 0.033 2.651 -4.802 1.00 0.00 C ATOM 619 O LEU A 39 0.825 1.992 -4.128 1.00 0.00 O ATOM 620 CB LEU A 39 0.815 5.009 -5.213 1.00 0.00 C ATOM 621 CG LEU A 39 1.308 4.980 -3.763 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.412 6.005 -3.552 1.00 0.00 C ATOM 623 CD2 LEU A 39 0.154 5.235 -2.805 1.00 0.00 C ATOM 0 H LEU A 39 -1.033 4.606 -6.843 1.00 0.00 H new ATOM 0 HA LEU A 39 1.466 3.250 -6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.558 5.526 -5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.099 5.602 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 39 1.716 3.990 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.749 5.969 -2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.249 5.780 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.031 7.001 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.521 5.211 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.281 6.213 -3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.605 4.464 -2.937 1.00 0.00 H new ATOM 635 N ASP A 40 -1.288 2.546 -4.670 1.00 0.00 N ATOM 636 CA ASP A 40 -1.881 1.630 -3.704 1.00 0.00 C ATOM 637 C ASP A 40 -1.690 0.181 -4.146 1.00 0.00 C ATOM 638 O ASP A 40 -1.517 -0.712 -3.319 1.00 0.00 O ATOM 639 CB ASP A 40 -3.370 1.936 -3.513 1.00 0.00 C ATOM 640 CG ASP A 40 -4.223 1.486 -4.686 1.00 0.00 C ATOM 641 OD1 ASP A 40 -4.286 0.265 -4.941 1.00 0.00 O ATOM 642 OD2 ASP A 40 -4.827 2.355 -5.347 1.00 0.00 O ATOM 0 H ASP A 40 -1.962 3.081 -5.217 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.374 1.769 -2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.723 1.446 -2.605 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.499 3.008 -3.367 1.00 0.00 H new ATOM 647 N ARG A 41 -1.723 -0.042 -5.458 1.00 0.00 N ATOM 648 CA ARG A 41 -1.555 -1.382 -6.009 1.00 0.00 C ATOM 649 C ARG A 41 -0.175 -1.938 -5.676 1.00 0.00 C ATOM 650 O ARG A 41 -0.033 -3.114 -5.346 1.00 0.00 O ATOM 651 CB ARG A 41 -1.751 -1.364 -7.525 1.00 0.00 C ATOM 652 CG ARG A 41 -3.048 -0.708 -7.968 1.00 0.00 C ATOM 653 CD ARG A 41 -2.916 -0.098 -9.353 1.00 0.00 C ATOM 654 NE ARG A 41 -3.449 -0.977 -10.392 1.00 0.00 N ATOM 655 CZ ARG A 41 -4.744 -1.254 -10.535 1.00 0.00 C ATOM 656 NH1 ARG A 41 -5.638 -0.725 -9.710 1.00 0.00 N ATOM 657 NH2 ARG A 41 -5.144 -2.063 -11.506 1.00 0.00 N ATOM 0 H ARG A 41 -1.864 0.687 -6.157 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.309 -2.027 -5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.914 -0.838 -7.984 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.727 -2.388 -7.897 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.849 -1.447 -7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.329 0.066 -7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.442 0.856 -9.380 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.866 0.111 -9.558 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.791 -1.403 -11.045 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.335 -0.102 -8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.628 -0.941 -9.825 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.460 -2.473 -12.143 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.135 -2.276 -11.616 1.00 0.00 H new ATOM 671 N GLU A 42 0.841 -1.084 -5.766 1.00 0.00 N ATOM 672 CA GLU A 42 2.208 -1.497 -5.475 1.00 0.00 C ATOM 673 C GLU A 42 2.353 -1.883 -4.008 1.00 0.00 C ATOM 674 O GLU A 42 2.967 -2.898 -3.679 1.00 0.00 O ATOM 675 CB GLU A 42 3.187 -0.374 -5.820 1.00 0.00 C ATOM 676 CG GLU A 42 4.467 -0.867 -6.472 1.00 0.00 C ATOM 677 CD GLU A 42 5.500 0.231 -6.635 1.00 0.00 C ATOM 678 OE1 GLU A 42 5.099 1.394 -6.854 1.00 0.00 O ATOM 679 OE2 GLU A 42 6.708 -0.071 -6.544 1.00 0.00 O ATOM 0 H GLU A 42 0.743 -0.106 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 42 2.439 -2.368 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.696 0.333 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.438 0.171 -4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.890 -1.672 -5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.233 -1.289 -7.450 1.00 0.00 H new ATOM 686 N LEU A 43 1.782 -1.066 -3.133 1.00 0.00 N ATOM 687 CA LEU A 43 1.840 -1.319 -1.699 1.00 0.00 C ATOM 688 C LEU A 43 0.843 -2.396 -1.297 1.00 0.00 C ATOM 689 O LEU A 43 1.031 -3.085 -0.297 1.00 0.00 O ATOM 690 CB LEU A 43 1.561 -0.030 -0.927 1.00 0.00 C ATOM 691 CG LEU A 43 2.781 0.857 -0.686 1.00 0.00 C ATOM 692 CD1 LEU A 43 2.350 2.290 -0.419 1.00 0.00 C ATOM 693 CD2 LEU A 43 3.606 0.316 0.474 1.00 0.00 C ATOM 0 H LEU A 43 1.273 -0.221 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 43 2.842 -1.672 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.813 0.547 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.123 -0.289 0.037 1.00 0.00 H new ATOM 0 HG LEU A 43 3.402 0.849 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.231 2.909 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.799 2.671 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.710 2.319 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.472 0.958 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.996 0.297 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.941 -0.695 0.242 1.00 0.00 H new ATOM 705 N PHE A 44 -0.208 -2.551 -2.089 1.00 0.00 N ATOM 706 CA PHE A 44 -1.214 -3.565 -1.820 1.00 0.00 C ATOM 707 C PHE A 44 -0.761 -4.902 -2.393 1.00 0.00 C ATOM 708 O PHE A 44 -1.155 -5.965 -1.913 1.00 0.00 O ATOM 709 CB PHE A 44 -2.564 -3.156 -2.418 1.00 0.00 C ATOM 710 CG PHE A 44 -3.529 -4.298 -2.568 1.00 0.00 C ATOM 711 CD1 PHE A 44 -4.333 -4.690 -1.512 1.00 0.00 C ATOM 712 CD2 PHE A 44 -3.624 -4.983 -3.769 1.00 0.00 C ATOM 713 CE1 PHE A 44 -5.216 -5.743 -1.649 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.504 -6.036 -3.913 1.00 0.00 C ATOM 715 CZ PHE A 44 -5.302 -6.418 -2.851 1.00 0.00 C ATOM 0 H PHE A 44 -0.385 -1.988 -2.921 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.337 -3.664 -0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.015 -2.392 -1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.396 -2.703 -3.395 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.269 -4.166 -0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.002 -4.689 -4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.839 -6.038 -0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.569 -6.561 -4.854 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.991 -7.242 -2.961 1.00 0.00 H new ATOM 725 N LYS A 45 0.075 -4.838 -3.425 1.00 0.00 N ATOM 726 CA LYS A 45 0.591 -6.035 -4.066 1.00 0.00 C ATOM 727 C LYS A 45 1.533 -6.786 -3.132 1.00 0.00 C ATOM 728 O LYS A 45 1.591 -8.015 -3.162 1.00 0.00 O ATOM 729 CB LYS A 45 1.317 -5.672 -5.364 1.00 0.00 C ATOM 730 CG LYS A 45 0.440 -5.781 -6.601 1.00 0.00 C ATOM 731 CD LYS A 45 1.242 -6.223 -7.814 1.00 0.00 C ATOM 732 CE LYS A 45 2.337 -5.225 -8.152 1.00 0.00 C ATOM 733 NZ LYS A 45 2.818 -5.382 -9.554 1.00 0.00 N ATOM 0 H LYS A 45 0.408 -3.965 -3.834 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.252 -6.685 -4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.696 -4.653 -5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.181 -6.326 -5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.365 -6.493 -6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.027 -4.817 -6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.685 -7.200 -7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.576 -6.338 -8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.962 -4.212 -8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.173 -5.356 -7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.564 -4.683 -9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.199 -6.341 -9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.026 -5.232 -10.211 1.00 0.00 H new ATOM 747 N LEU A 46 2.269 -6.048 -2.301 1.00 0.00 N ATOM 748 CA LEU A 46 3.198 -6.669 -1.369 1.00 0.00 C ATOM 749 C LEU A 46 2.460 -7.611 -0.426 1.00 0.00 C ATOM 750 O LEU A 46 2.939 -8.705 -0.128 1.00 0.00 O ATOM 751 CB LEU A 46 3.961 -5.605 -0.574 1.00 0.00 C ATOM 752 CG LEU A 46 3.131 -4.828 0.449 1.00 0.00 C ATOM 753 CD1 LEU A 46 3.196 -5.497 1.813 1.00 0.00 C ATOM 754 CD2 LEU A 46 3.615 -3.388 0.535 1.00 0.00 C ATOM 0 H LEU A 46 2.238 -5.029 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 46 3.919 -7.250 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.788 -6.088 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.398 -4.895 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 46 2.091 -4.826 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.599 -4.928 2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.805 -6.512 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.231 -5.531 2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.016 -2.846 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.661 -3.373 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.515 -2.912 -0.440 1.00 0.00 H new ATOM 766 N LYS A 47 1.284 -7.189 0.027 1.00 0.00 N ATOM 767 CA LYS A 47 0.482 -8.008 0.925 1.00 0.00 C ATOM 768 C LYS A 47 0.085 -9.312 0.242 1.00 0.00 C ATOM 769 O LYS A 47 -0.041 -10.352 0.889 1.00 0.00 O ATOM 770 CB LYS A 47 -0.767 -7.245 1.368 1.00 0.00 C ATOM 771 CG LYS A 47 -0.459 -5.948 2.100 1.00 0.00 C ATOM 772 CD LYS A 47 -1.199 -4.767 1.488 1.00 0.00 C ATOM 773 CE LYS A 47 -2.253 -4.216 2.435 1.00 0.00 C ATOM 774 NZ LYS A 47 -3.045 -5.302 3.079 1.00 0.00 N ATOM 0 H LYS A 47 0.868 -6.289 -0.212 1.00 0.00 H new ATOM 0 HA LYS A 47 1.080 -8.242 1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.377 -7.022 0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.363 -7.886 2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.737 -6.047 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.614 -5.760 2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.487 -3.981 1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.672 -5.077 0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.770 -3.614 3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.923 -3.554 1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.019 -4.974 3.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.056 -6.137 2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.613 -5.553 3.991 1.00 0.00 H new ATOM 788 N GLN A 48 -0.108 -9.246 -1.072 1.00 0.00 N ATOM 789 CA GLN A 48 -0.486 -10.420 -1.851 1.00 0.00 C ATOM 790 C GLN A 48 0.687 -11.386 -1.974 1.00 0.00 C ATOM 791 O GLN A 48 0.505 -12.604 -1.968 1.00 0.00 O ATOM 792 CB GLN A 48 -0.973 -10.001 -3.241 1.00 0.00 C ATOM 793 CG GLN A 48 -2.409 -10.407 -3.531 1.00 0.00 C ATOM 794 CD GLN A 48 -3.379 -9.909 -2.477 1.00 0.00 C ATOM 795 OE1 GLN A 48 -4.044 -10.698 -1.807 1.00 0.00 O ATOM 796 NE2 GLN A 48 -3.464 -8.592 -2.327 1.00 0.00 N ATOM 0 H GLN A 48 -0.009 -8.391 -1.620 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.298 -10.928 -1.332 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.884 -8.919 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.320 -10.443 -3.994 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.704 -10.016 -4.505 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.470 -11.494 -3.592 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.893 -7.975 -2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.100 -8.198 -1.634 1.00 0.00 H new ATOM 805 N MET A 49 1.894 -10.836 -2.074 1.00 0.00 N ATOM 806 CA MET A 49 3.099 -11.655 -2.182 1.00 0.00 C ATOM 807 C MET A 49 3.524 -12.143 -0.804 1.00 0.00 C ATOM 808 O MET A 49 4.120 -13.212 -0.665 1.00 0.00 O ATOM 809 CB MET A 49 4.256 -10.881 -2.841 1.00 0.00 C ATOM 810 CG MET A 49 3.858 -9.548 -3.459 1.00 0.00 C ATOM 811 SD MET A 49 5.218 -8.759 -4.347 1.00 0.00 S ATOM 812 CE MET A 49 4.716 -7.038 -4.292 1.00 0.00 C ATOM 0 H MET A 49 2.064 -9.830 -2.083 1.00 0.00 H new ATOM 0 HA MET A 49 2.862 -12.509 -2.816 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.029 -10.703 -2.093 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.700 -11.507 -3.615 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.024 -9.704 -4.144 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.505 -8.879 -2.674 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.092 -6.521 -5.175 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.628 -6.977 -4.272 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.122 -6.569 -3.396 1.00 0.00 H new ATOM 822 N TYR A 50 3.209 -11.351 0.216 1.00 0.00 N ATOM 823 CA TYR A 50 3.550 -11.693 1.590 1.00 0.00 C ATOM 824 C TYR A 50 2.577 -12.727 2.148 1.00 0.00 C ATOM 825 O TYR A 50 2.931 -13.516 3.024 1.00 0.00 O ATOM 826 CB TYR A 50 3.539 -10.438 2.463 1.00 0.00 C ATOM 827 CG TYR A 50 4.809 -9.623 2.362 1.00 0.00 C ATOM 828 CD1 TYR A 50 6.031 -10.165 2.737 1.00 0.00 C ATOM 829 CD2 TYR A 50 4.787 -8.315 1.890 1.00 0.00 C ATOM 830 CE1 TYR A 50 7.196 -9.428 2.648 1.00 0.00 C ATOM 831 CE2 TYR A 50 5.948 -7.573 1.798 1.00 0.00 C ATOM 832 CZ TYR A 50 7.149 -8.133 2.178 1.00 0.00 C ATOM 833 OH TYR A 50 8.307 -7.395 2.087 1.00 0.00 O ATOM 0 H TYR A 50 2.716 -10.464 0.115 1.00 0.00 H new ATOM 0 HA TYR A 50 4.551 -12.123 1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 50 2.692 -9.814 2.178 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.385 -10.729 3.502 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.071 -11.180 3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.848 -7.873 1.591 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.138 -9.864 2.945 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.915 -6.558 1.430 1.00 0.00 H new ATOM 0 HH TYR A 50 8.606 -7.143 2.986 1.00 0.00 H new ATOM 843 N GLY A 51 1.350 -12.718 1.634 1.00 0.00 N ATOM 844 CA GLY A 51 0.347 -13.659 2.094 1.00 0.00 C ATOM 845 C GLY A 51 0.537 -15.041 1.501 1.00 0.00 C ATOM 846 O GLY A 51 0.181 -16.044 2.120 1.00 0.00 O ATOM 0 H GLY A 51 1.034 -12.076 0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.386 -13.725 3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.644 -13.287 1.832 1.00 0.00 H new ATOM 850 N LYS A 52 1.098 -15.095 0.297 1.00 0.00 N ATOM 851 CA LYS A 52 1.333 -16.365 -0.380 1.00 0.00 C ATOM 852 C LYS A 52 2.710 -16.920 -0.031 1.00 0.00 C ATOM 853 O LYS A 52 2.901 -18.134 0.046 1.00 0.00 O ATOM 854 CB LYS A 52 1.211 -16.190 -1.895 1.00 0.00 C ATOM 855 CG LYS A 52 0.627 -17.403 -2.602 1.00 0.00 C ATOM 856 CD LYS A 52 -0.871 -17.516 -2.368 1.00 0.00 C ATOM 857 CE LYS A 52 -1.323 -18.967 -2.344 1.00 0.00 C ATOM 858 NZ LYS A 52 -2.806 -19.087 -2.330 1.00 0.00 N ATOM 0 H LYS A 52 1.398 -14.274 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 52 0.578 -17.074 -0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.585 -15.322 -2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.197 -15.978 -2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.825 -17.332 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.121 -18.307 -2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.130 -17.037 -1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.404 -16.981 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.925 -19.485 -3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.911 -19.461 -1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.073 -20.092 -2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.185 -18.615 -1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.199 -18.638 -3.182 1.00 0.00 H new ATOM 872 N ALA A 53 3.667 -16.022 0.181 1.00 0.00 N ATOM 873 CA ALA A 53 5.027 -16.421 0.523 1.00 0.00 C ATOM 874 C ALA A 53 5.149 -16.776 2.004 1.00 0.00 C ATOM 875 O ALA A 53 6.139 -17.373 2.427 1.00 0.00 O ATOM 876 CB ALA A 53 6.006 -15.313 0.165 1.00 0.00 C ATOM 0 H ALA A 53 3.525 -15.014 0.122 1.00 0.00 H new ATOM 0 HA ALA A 53 5.270 -17.312 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.018 -15.623 0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.952 -15.112 -0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.750 -14.409 0.718 1.00 0.00 H new ATOM 882 N ASP A 54 4.140 -16.405 2.790 1.00 0.00 N ATOM 883 CA ASP A 54 4.142 -16.686 4.222 1.00 0.00 C ATOM 884 C ASP A 54 5.237 -15.896 4.931 1.00 0.00 C ATOM 885 O ASP A 54 5.778 -16.339 5.943 1.00 0.00 O ATOM 886 CB ASP A 54 4.331 -18.183 4.474 1.00 0.00 C ATOM 887 CG ASP A 54 3.514 -18.681 5.650 1.00 0.00 C ATOM 888 OD1 ASP A 54 3.120 -17.848 6.494 1.00 0.00 O ATOM 889 OD2 ASP A 54 3.269 -19.903 5.728 1.00 0.00 O ATOM 0 H ASP A 54 3.312 -15.910 2.459 1.00 0.00 H new ATOM 0 HA ASP A 54 3.177 -16.378 4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.049 -18.737 3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.386 -18.387 4.656 1.00 0.00 H new ATOM 894 N MET A 55 5.557 -14.722 4.389 1.00 0.00 N ATOM 895 CA MET A 55 6.587 -13.853 4.961 1.00 0.00 C ATOM 896 C MET A 55 7.829 -14.647 5.368 1.00 0.00 C ATOM 897 O MET A 55 8.529 -14.281 6.311 1.00 0.00 O ATOM 898 CB MET A 55 6.032 -13.084 6.165 1.00 0.00 C ATOM 899 CG MET A 55 5.785 -13.944 7.397 1.00 0.00 C ATOM 900 SD MET A 55 4.075 -14.501 7.524 1.00 0.00 S ATOM 901 CE MET A 55 4.272 -15.967 8.535 1.00 0.00 C ATOM 0 H MET A 55 5.115 -14.348 3.549 1.00 0.00 H new ATOM 0 HA MET A 55 6.882 -13.141 4.191 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.729 -12.288 6.426 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.096 -12.606 5.876 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.444 -14.811 7.368 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.045 -13.376 8.290 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.321 -16.495 8.600 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.020 -16.621 8.086 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.596 -15.679 9.535 1.00 0.00 H new ATOM 911 N ASN A 56 8.094 -15.731 4.648 1.00 0.00 N ATOM 912 CA ASN A 56 9.250 -16.571 4.933 1.00 0.00 C ATOM 913 C ASN A 56 10.377 -16.289 3.945 1.00 0.00 C ATOM 914 O ASN A 56 10.992 -17.211 3.407 1.00 0.00 O ATOM 915 CB ASN A 56 8.859 -18.049 4.875 1.00 0.00 C ATOM 916 CG ASN A 56 8.003 -18.467 6.054 1.00 0.00 C ATOM 917 OD1 ASN A 56 7.895 -17.745 7.045 1.00 0.00 O ATOM 918 ND2 ASN A 56 7.388 -19.640 5.953 1.00 0.00 N ATOM 0 H ASN A 56 7.524 -16.048 3.864 1.00 0.00 H new ATOM 0 HA ASN A 56 9.603 -16.338 5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.317 -18.243 3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.761 -18.660 4.850 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.798 -19.974 6.715 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.505 -20.207 5.113 1.00 0.00 H new ATOM 925 N THR A 57 10.639 -15.008 3.708 1.00 0.00 N ATOM 926 CA THR A 57 11.689 -14.604 2.781 1.00 0.00 C ATOM 927 C THR A 57 12.031 -13.125 2.948 1.00 0.00 C ATOM 928 O THR A 57 13.201 -12.743 2.926 1.00 0.00 O ATOM 929 CB THR A 57 11.258 -14.880 1.339 1.00 0.00 C ATOM 930 OG1 THR A 57 12.085 -14.181 0.424 1.00 0.00 O ATOM 931 CG2 THR A 57 9.824 -14.484 1.056 1.00 0.00 C ATOM 0 H THR A 57 10.139 -14.233 4.144 1.00 0.00 H new ATOM 0 HA THR A 57 12.580 -15.189 3.007 1.00 0.00 H new ATOM 0 HB THR A 57 11.352 -15.958 1.212 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.562 -13.482 -0.021 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.584 -14.706 0.016 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.156 -15.044 1.711 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.699 -13.416 1.237 1.00 0.00 H new ATOM 939 N PHE A 58 11.004 -12.297 3.113 1.00 0.00 N ATOM 940 CA PHE A 58 11.202 -10.862 3.281 1.00 0.00 C ATOM 941 C PHE A 58 10.396 -10.331 4.463 1.00 0.00 C ATOM 942 O PHE A 58 9.453 -10.975 4.923 1.00 0.00 O ATOM 943 CB PHE A 58 10.802 -10.118 2.006 1.00 0.00 C ATOM 944 CG PHE A 58 11.457 -10.656 0.768 1.00 0.00 C ATOM 945 CD1 PHE A 58 12.732 -10.253 0.413 1.00 0.00 C ATOM 946 CD2 PHE A 58 10.795 -11.567 -0.040 1.00 0.00 C ATOM 947 CE1 PHE A 58 13.338 -10.746 -0.727 1.00 0.00 C ATOM 948 CE2 PHE A 58 11.395 -12.065 -1.181 1.00 0.00 C ATOM 949 CZ PHE A 58 12.668 -11.654 -1.525 1.00 0.00 C ATOM 0 H PHE A 58 10.029 -12.594 3.134 1.00 0.00 H new ATOM 0 HA PHE A 58 12.260 -10.691 3.480 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.720 -10.172 1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.058 -9.064 2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 58 13.260 -9.545 1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.799 -11.891 0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 58 14.333 -10.422 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.869 -12.775 -1.803 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.139 -12.042 -2.416 1.00 0.00 H new ATOM 959 N PRO A 59 10.760 -9.141 4.971 1.00 0.00 N ATOM 960 CA PRO A 59 10.070 -8.518 6.105 1.00 0.00 C ATOM 961 C PRO A 59 8.635 -8.129 5.762 1.00 0.00 C ATOM 962 O PRO A 59 8.391 -7.075 5.175 1.00 0.00 O ATOM 963 CB PRO A 59 10.905 -7.264 6.404 1.00 0.00 C ATOM 964 CG PRO A 59 12.195 -7.463 5.679 1.00 0.00 C ATOM 965 CD PRO A 59 11.869 -8.308 4.484 1.00 0.00 C ATOM 0 HA PRO A 59 9.992 -9.200 6.952 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.397 -6.363 6.061 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.070 -7.149 7.475 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.624 -6.508 5.377 1.00 0.00 H new ATOM 0 HG3 PRO A 59 12.929 -7.955 6.317 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.574 -7.702 3.627 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.721 -8.911 4.170 1.00 0.00 H new ATOM 973 N ASN A 60 7.687 -8.984 6.137 1.00 0.00 N ATOM 974 CA ASN A 60 6.273 -8.729 5.872 1.00 0.00 C ATOM 975 C ASN A 60 5.880 -7.315 6.291 1.00 0.00 C ATOM 976 O ASN A 60 4.967 -6.718 5.719 1.00 0.00 O ATOM 977 CB ASN A 60 5.400 -9.749 6.608 1.00 0.00 C ATOM 978 CG ASN A 60 5.880 -10.011 8.023 1.00 0.00 C ATOM 979 OD1 ASN A 60 6.406 -11.083 8.324 1.00 0.00 O ATOM 980 ND2 ASN A 60 5.700 -9.031 8.901 1.00 0.00 N ATOM 0 H ASN A 60 7.872 -9.860 6.626 1.00 0.00 H new ATOM 0 HA ASN A 60 6.112 -8.827 4.798 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.372 -9.388 6.638 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.393 -10.686 6.051 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.002 -9.151 9.868 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.260 -8.159 8.608 1.00 0.00 H new ATOM 987 N PHE A 61 6.576 -6.787 7.291 1.00 0.00 N ATOM 988 CA PHE A 61 6.303 -5.444 7.785 1.00 0.00 C ATOM 989 C PHE A 61 7.606 -4.738 8.167 1.00 0.00 C ATOM 990 O PHE A 61 8.225 -4.080 7.331 1.00 0.00 O ATOM 991 CB PHE A 61 5.338 -5.509 8.976 1.00 0.00 C ATOM 992 CG PHE A 61 4.954 -4.165 9.524 1.00 0.00 C ATOM 993 CD1 PHE A 61 3.975 -3.404 8.906 1.00 0.00 C ATOM 994 CD2 PHE A 61 5.564 -3.668 10.665 1.00 0.00 C ATOM 995 CE1 PHE A 61 3.613 -2.170 9.415 1.00 0.00 C ATOM 996 CE2 PHE A 61 5.209 -2.435 11.176 1.00 0.00 C ATOM 997 CZ PHE A 61 4.231 -1.685 10.551 1.00 0.00 C ATOM 0 H PHE A 61 7.333 -7.269 7.775 1.00 0.00 H new ATOM 0 HA PHE A 61 5.830 -4.864 6.993 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.435 -6.037 8.670 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.797 -6.097 9.771 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.489 -3.778 8.017 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.326 -4.252 11.160 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.848 -1.586 8.925 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.695 -2.057 12.063 1.00 0.00 H new ATOM 0 HZ PHE A 61 3.950 -0.721 10.950 1.00 0.00 H new ATOM 1007 N THR A 62 8.029 -4.882 9.423 1.00 0.00 N ATOM 1008 CA THR A 62 9.264 -4.264 9.901 1.00 0.00 C ATOM 1009 C THR A 62 9.112 -2.748 10.004 1.00 0.00 C ATOM 1010 O THR A 62 9.318 -2.164 11.068 1.00 0.00 O ATOM 1011 CB THR A 62 10.437 -4.646 8.980 1.00 0.00 C ATOM 1012 OG1 THR A 62 11.340 -5.502 9.657 1.00 0.00 O ATOM 1013 CG2 THR A 62 11.236 -3.467 8.459 1.00 0.00 C ATOM 0 H THR A 62 7.532 -5.424 10.130 1.00 0.00 H new ATOM 0 HA THR A 62 9.477 -4.639 10.902 1.00 0.00 H new ATOM 0 HB THR A 62 9.968 -5.137 8.127 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.079 -5.737 9.058 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.042 -3.828 7.819 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.583 -2.810 7.885 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.659 -2.915 9.298 1.00 0.00 H new ATOM 1021 N PHE A 63 8.750 -2.117 8.893 1.00 0.00 N ATOM 1022 CA PHE A 63 8.569 -0.668 8.854 1.00 0.00 C ATOM 1023 C PHE A 63 9.750 0.051 9.500 1.00 0.00 C ATOM 1024 O PHE A 63 9.573 0.914 10.359 1.00 0.00 O ATOM 1025 CB PHE A 63 7.268 -0.279 9.560 1.00 0.00 C ATOM 1026 CG PHE A 63 6.064 -0.296 8.660 1.00 0.00 C ATOM 1027 CD1 PHE A 63 5.934 -1.255 7.666 1.00 0.00 C ATOM 1028 CD2 PHE A 63 5.059 0.646 8.812 1.00 0.00 C ATOM 1029 CE1 PHE A 63 4.826 -1.272 6.842 1.00 0.00 C ATOM 1030 CE2 PHE A 63 3.949 0.635 7.989 1.00 0.00 C ATOM 1031 CZ PHE A 63 3.832 -0.326 7.003 1.00 0.00 C ATOM 0 H PHE A 63 8.575 -2.586 8.004 1.00 0.00 H new ATOM 0 HA PHE A 63 8.514 -0.362 7.809 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.098 -0.962 10.392 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.379 0.719 9.984 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.708 -1.997 7.535 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.144 1.398 9.583 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.737 -2.024 6.072 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.174 1.376 8.116 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.965 -0.338 6.359 1.00 0.00 H new ATOM 1041 N GLU A 64 10.957 -0.315 9.081 1.00 0.00 N ATOM 1042 CA GLU A 64 12.169 0.290 9.618 1.00 0.00 C ATOM 1043 C GLU A 64 12.262 0.074 11.126 1.00 0.00 C ATOM 1044 O GLU A 64 12.733 0.943 11.858 1.00 0.00 O ATOM 1045 CB GLU A 64 12.200 1.787 9.301 1.00 0.00 C ATOM 1046 CG GLU A 64 12.854 2.113 7.969 1.00 0.00 C ATOM 1047 CD GLU A 64 14.259 1.553 7.856 1.00 0.00 C ATOM 1048 OE1 GLU A 64 15.207 2.240 8.289 1.00 0.00 O ATOM 1049 OE2 GLU A 64 14.410 0.429 7.334 1.00 0.00 O ATOM 0 H GLU A 64 11.121 -1.028 8.371 1.00 0.00 H new ATOM 0 HA GLU A 64 13.026 -0.191 9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.180 2.171 9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.735 2.307 10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.242 1.714 7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.887 3.195 7.840 1.00 0.00 H new ATOM 1056 N ASP A 65 11.810 -1.091 11.583 1.00 0.00 N ATOM 1057 CA ASP A 65 11.845 -1.416 13.005 1.00 0.00 C ATOM 1058 C ASP A 65 12.335 -2.845 13.228 1.00 0.00 C ATOM 1059 O ASP A 65 11.578 -3.707 13.674 1.00 0.00 O ATOM 1060 CB ASP A 65 10.456 -1.236 13.621 1.00 0.00 C ATOM 1061 CG ASP A 65 9.839 0.106 13.278 1.00 0.00 C ATOM 1062 OD1 ASP A 65 10.597 1.090 13.144 1.00 0.00 O ATOM 1063 OD2 ASP A 65 8.600 0.172 13.143 1.00 0.00 O ATOM 0 H ASP A 65 11.417 -1.823 10.991 1.00 0.00 H new ATOM 0 HA ASP A 65 12.543 -0.735 13.492 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.801 -2.034 13.271 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.527 -1.334 14.704 1.00 0.00 H new ATOM 1068 N PRO A 66 13.617 -3.118 12.921 1.00 0.00 N ATOM 1069 CA PRO A 66 14.208 -4.448 13.090 1.00 0.00 C ATOM 1070 C PRO A 66 14.424 -4.804 14.559 1.00 0.00 C ATOM 1071 O PRO A 66 15.548 -5.071 14.986 1.00 0.00 O ATOM 1072 CB PRO A 66 15.558 -4.349 12.357 1.00 0.00 C ATOM 1073 CG PRO A 66 15.528 -3.049 11.621 1.00 0.00 C ATOM 1074 CD PRO A 66 14.589 -2.161 12.384 1.00 0.00 C ATOM 0 HA PRO A 66 13.557 -5.230 12.698 1.00 0.00 H new ATOM 0 HB2 PRO A 66 16.389 -4.380 13.062 1.00 0.00 H new ATOM 0 HB3 PRO A 66 15.692 -5.184 11.670 1.00 0.00 H new ATOM 0 HG2 PRO A 66 16.524 -2.609 11.567 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.185 -3.189 10.596 1.00 0.00 H new ATOM 0 HD2 PRO A 66 15.101 -1.614 13.176 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.116 -1.420 11.739 1.00 0.00 H new ATOM 1082 N LYS A 67 13.341 -4.809 15.331 1.00 0.00 N ATOM 1083 CA LYS A 67 13.414 -5.133 16.753 1.00 0.00 C ATOM 1084 C LYS A 67 14.459 -4.274 17.459 1.00 0.00 C ATOM 1085 O LYS A 67 15.072 -4.704 18.437 1.00 0.00 O ATOM 1086 CB LYS A 67 13.743 -6.614 16.941 1.00 0.00 C ATOM 1087 CG LYS A 67 12.521 -7.517 16.925 1.00 0.00 C ATOM 1088 CD LYS A 67 11.732 -7.364 15.633 1.00 0.00 C ATOM 1089 CE LYS A 67 12.494 -7.929 14.446 1.00 0.00 C ATOM 1090 NZ LYS A 67 12.505 -9.419 14.451 1.00 0.00 N ATOM 0 H LYS A 67 12.402 -4.592 14.996 1.00 0.00 H new ATOM 0 HA LYS A 67 12.441 -4.922 17.197 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.427 -6.928 16.152 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.267 -6.743 17.888 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.833 -8.555 17.042 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.880 -7.279 17.774 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.774 -7.874 15.728 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.516 -6.310 15.460 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.041 -7.572 13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.519 -7.558 14.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.945 -9.766 13.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.048 -9.759 15.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.529 -9.773 14.512 1.00 0.00 H new ATOM 1104 N PHE A 68 14.661 -3.060 16.957 1.00 0.00 N ATOM 1105 CA PHE A 68 15.634 -2.144 17.540 1.00 0.00 C ATOM 1106 C PHE A 68 15.154 -1.625 18.893 1.00 0.00 C ATOM 1107 O PHE A 68 15.908 -1.611 19.866 1.00 0.00 O ATOM 1108 CB PHE A 68 15.899 -0.973 16.589 1.00 0.00 C ATOM 1109 CG PHE A 68 14.757 0.000 16.490 1.00 0.00 C ATOM 1110 CD1 PHE A 68 13.673 -0.263 15.667 1.00 0.00 C ATOM 1111 CD2 PHE A 68 14.768 1.176 17.222 1.00 0.00 C ATOM 1112 CE1 PHE A 68 12.622 0.630 15.575 1.00 0.00 C ATOM 1113 CE2 PHE A 68 13.719 2.073 17.134 1.00 0.00 C ATOM 1114 CZ PHE A 68 12.645 1.799 16.310 1.00 0.00 C ATOM 0 H PHE A 68 14.164 -2.688 16.148 1.00 0.00 H new ATOM 0 HA PHE A 68 16.564 -2.691 17.695 1.00 0.00 H new ATOM 0 HB2 PHE A 68 16.790 -0.441 16.923 1.00 0.00 H new ATOM 0 HB3 PHE A 68 16.116 -1.366 15.596 1.00 0.00 H new ATOM 0 HD1 PHE A 68 13.649 -1.176 15.091 1.00 0.00 H new ATOM 0 HD2 PHE A 68 15.605 1.395 17.869 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.784 0.414 14.929 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.740 2.987 17.709 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.824 2.498 16.241 1.00 0.00 H new ATOM 1124 N GLU A 69 13.897 -1.197 18.944 1.00 0.00 N ATOM 1125 CA GLU A 69 13.318 -0.676 20.177 1.00 0.00 C ATOM 1126 C GLU A 69 11.833 -1.014 20.265 1.00 0.00 C ATOM 1127 O GLU A 69 11.001 -0.380 19.615 1.00 0.00 O ATOM 1128 CB GLU A 69 13.513 0.840 20.253 1.00 0.00 C ATOM 1129 CG GLU A 69 12.952 1.465 21.519 1.00 0.00 C ATOM 1130 CD GLU A 69 12.445 2.877 21.296 1.00 0.00 C ATOM 1131 OE1 GLU A 69 13.265 3.754 20.951 1.00 0.00 O ATOM 1132 OE2 GLU A 69 11.229 3.106 21.468 1.00 0.00 O ATOM 0 H GLU A 69 13.260 -1.201 18.147 1.00 0.00 H new ATOM 0 HA GLU A 69 13.829 -1.145 21.018 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.578 1.064 20.189 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.037 1.302 19.388 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.138 0.846 21.896 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.725 1.477 22.287 1.00 0.00 H new ATOM 1139 N VAL A 70 11.507 -2.017 21.073 1.00 0.00 N ATOM 1140 CA VAL A 70 10.123 -2.440 21.248 1.00 0.00 C ATOM 1141 C VAL A 70 9.616 -2.101 22.646 1.00 0.00 C ATOM 1142 O VAL A 70 8.424 -1.861 22.843 1.00 0.00 O ATOM 1143 CB VAL A 70 9.964 -3.953 21.010 1.00 0.00 C ATOM 1144 CG1 VAL A 70 8.493 -4.339 20.992 1.00 0.00 C ATOM 1145 CG2 VAL A 70 10.646 -4.364 19.713 1.00 0.00 C ATOM 0 H VAL A 70 12.183 -2.552 21.617 1.00 0.00 H new ATOM 0 HA VAL A 70 9.532 -1.899 20.509 1.00 0.00 H new ATOM 0 HB VAL A 70 10.445 -4.484 21.831 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.400 -5.412 20.823 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.038 -4.082 21.948 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.985 -3.800 20.192 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.523 -5.436 19.561 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.196 -3.826 18.879 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.708 -4.125 19.769 1.00 0.00 H new ATOM 1155 N VAL A 71 10.527 -2.083 23.613 1.00 0.00 N ATOM 1156 CA VAL A 71 10.170 -1.774 24.992 1.00 0.00 C ATOM 1157 C VAL A 71 10.450 -0.307 25.318 1.00 0.00 C ATOM 1158 O VAL A 71 10.709 0.046 26.469 1.00 0.00 O ATOM 1159 CB VAL A 71 10.936 -2.673 25.984 1.00 0.00 C ATOM 1160 CG1 VAL A 71 12.432 -2.398 25.920 1.00 0.00 C ATOM 1161 CG2 VAL A 71 10.410 -2.479 27.399 1.00 0.00 C ATOM 0 H VAL A 71 11.517 -2.279 23.467 1.00 0.00 H new ATOM 0 HA VAL A 71 9.102 -1.964 25.096 1.00 0.00 H new ATOM 0 HB VAL A 71 10.772 -3.712 25.699 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.951 -3.044 26.628 1.00 0.00 H new ATOM 0 HG12 VAL A 71 12.796 -2.598 24.912 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.621 -1.355 26.174 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.963 -3.122 28.084 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.538 -1.438 27.695 1.00 0.00 H new ATOM 0 HG23 VAL A 71 9.352 -2.738 27.433 1.00 0.00 H new ATOM 1171 N GLU A 72 10.396 0.543 24.297 1.00 0.00 N ATOM 1172 CA GLU A 72 10.645 1.968 24.475 1.00 0.00 C ATOM 1173 C GLU A 72 12.030 2.213 25.064 1.00 0.00 C ATOM 1174 O GLU A 72 12.234 3.158 25.825 1.00 0.00 O ATOM 1175 CB GLU A 72 9.576 2.582 25.382 1.00 0.00 C ATOM 1176 CG GLU A 72 9.641 4.100 25.455 1.00 0.00 C ATOM 1177 CD GLU A 72 10.020 4.603 26.835 1.00 0.00 C ATOM 1178 OE1 GLU A 72 10.621 3.826 27.605 1.00 0.00 O ATOM 1179 OE2 GLU A 72 9.716 5.774 27.145 1.00 0.00 O ATOM 0 H GLU A 72 10.182 0.269 23.338 1.00 0.00 H new ATOM 0 HA GLU A 72 10.600 2.444 23.495 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.591 2.285 25.022 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.684 2.173 26.386 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.367 4.464 24.728 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.673 4.515 25.174 1.00 0.00 H new ATOM 1186 N LYS A 73 12.980 1.355 24.705 1.00 0.00 N ATOM 1187 CA LYS A 73 14.347 1.478 25.198 1.00 0.00 C ATOM 1188 C LYS A 73 15.342 0.889 24.200 1.00 0.00 C ATOM 1189 O LYS A 73 15.665 -0.297 24.262 1.00 0.00 O ATOM 1190 CB LYS A 73 14.488 0.777 26.550 1.00 0.00 C ATOM 1191 CG LYS A 73 15.845 0.985 27.204 1.00 0.00 C ATOM 1192 CD LYS A 73 15.932 0.272 28.544 1.00 0.00 C ATOM 1193 CE LYS A 73 15.686 1.229 29.700 1.00 0.00 C ATOM 1194 NZ LYS A 73 16.653 2.360 29.701 1.00 0.00 N ATOM 0 H LYS A 73 12.828 0.568 24.075 1.00 0.00 H new ATOM 0 HA LYS A 73 14.568 2.538 25.321 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.711 1.141 27.222 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.319 -0.291 26.416 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.629 0.616 26.543 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.022 2.051 27.346 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.200 -0.535 28.576 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.916 -0.185 28.651 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.670 1.620 29.637 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.761 0.687 30.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.878 2.623 30.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.524 2.072 29.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.233 3.176 29.211 1.00 0.00 H new ATOM 1208 N PRO A 74 15.840 1.713 23.262 1.00 0.00 N ATOM 1209 CA PRO A 74 16.801 1.264 22.249 1.00 0.00 C ATOM 1210 C PRO A 74 18.182 0.993 22.839 1.00 0.00 C ATOM 1211 O PRO A 74 18.938 0.172 22.320 1.00 0.00 O ATOM 1212 CB PRO A 74 16.859 2.440 21.271 1.00 0.00 C ATOM 1213 CG PRO A 74 16.496 3.629 22.091 1.00 0.00 C ATOM 1214 CD PRO A 74 15.507 3.142 23.115 1.00 0.00 C ATOM 0 HA PRO A 74 16.499 0.323 21.789 1.00 0.00 H new ATOM 0 HB2 PRO A 74 17.853 2.546 20.837 1.00 0.00 H new ATOM 0 HB3 PRO A 74 16.163 2.302 20.443 1.00 0.00 H new ATOM 0 HG2 PRO A 74 17.377 4.055 22.571 1.00 0.00 H new ATOM 0 HG3 PRO A 74 16.061 4.413 21.471 1.00 0.00 H new ATOM 0 HD2 PRO A 74 15.610 3.677 24.059 1.00 0.00 H new ATOM 0 HD3 PRO A 74 14.480 3.282 22.779 1.00 0.00 H new ATOM 1222 N GLN A 75 18.502 1.688 23.924 1.00 0.00 N ATOM 1223 CA GLN A 75 19.792 1.522 24.584 1.00 0.00 C ATOM 1224 C GLN A 75 19.868 2.368 25.851 1.00 0.00 C ATOM 1225 O GLN A 75 20.330 1.903 26.893 1.00 0.00 O ATOM 1226 CB GLN A 75 20.929 1.903 23.633 1.00 0.00 C ATOM 1227 CG GLN A 75 20.751 3.269 22.990 1.00 0.00 C ATOM 1228 CD GLN A 75 21.397 3.357 21.622 1.00 0.00 C ATOM 1229 OE1 GLN A 75 20.719 3.301 20.597 1.00 0.00 O ATOM 1230 NE2 GLN A 75 22.718 3.495 21.600 1.00 0.00 N ATOM 0 H GLN A 75 17.887 2.371 24.365 1.00 0.00 H new ATOM 0 HA GLN A 75 19.897 0.473 24.862 1.00 0.00 H new ATOM 0 HB2 GLN A 75 21.871 1.889 24.182 1.00 0.00 H new ATOM 0 HB3 GLN A 75 21.005 1.149 22.850 1.00 0.00 H new ATOM 0 HG2 GLN A 75 19.687 3.489 22.900 1.00 0.00 H new ATOM 0 HG3 GLN A 75 21.180 4.031 23.640 1.00 0.00 H new ATOM 0 HE21 GLN A 75 23.241 3.537 22.475 1.00 0.00 H new ATOM 0 HE22 GLN A 75 23.209 3.559 20.708 1.00 0.00 H new ATOM 1239 N SER A 76 19.413 3.613 25.754 1.00 0.00 N ATOM 1240 CA SER A 76 19.431 4.524 26.892 1.00 0.00 C ATOM 1241 C SER A 76 18.197 4.325 27.765 1.00 0.00 C ATOM 1242 O SER A 76 18.348 4.307 29.006 1.00 0.00 O ATOM 1243 CB SER A 76 19.502 5.974 26.410 1.00 0.00 C ATOM 1244 OG SER A 76 18.235 6.427 25.966 1.00 0.00 O ATOM 1245 OXT SER A 76 17.090 4.190 27.204 1.00 0.00 O ATOM 0 H SER A 76 19.027 4.014 24.899 1.00 0.00 H new ATOM 0 HA SER A 76 20.316 4.304 27.489 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.857 6.612 27.219 1.00 0.00 H new ATOM 0 HB3 SER A 76 20.226 6.056 25.599 1.00 0.00 H new ATOM 0 HG SER A 76 18.307 7.357 25.665 1.00 0.00 H new TER 1251 SER A 76