USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 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= -0.383 X(o=-0.38,f=-0.16) USER MOD Single : A 1 ASN N :NH3+ -156:sc= -4.37! (180deg=-6.97!) USER MOD Single : A 2 LYS NZ :NH3+ -146:sc= -0.346 (180deg=-1.35!) USER MOD Single : A 8 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.2) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.768 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= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot -81:sc= 1.1 USER MOD Single : A 25 SER OG : rot -115:sc= 0.158 USER MOD Single : A 35 TYR OH : rot 144:sc= -11.4! USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 37 GLN : amide:sc= -0.0362 X(o=-0.036,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -0.0768 (180deg=-0.374) USER MOD Single : A 48 GLN : amide:sc= -2.96! C(o=-3!,f=-3.6!) USER MOD Single : A 49 MET CE :methyl -155:sc= -2.9 (180deg=-3.79!) USER MOD Single : A 50 TYR OH : rot 130:sc= -2.18 USER MOD Single : A 52 LYS NZ :NH3+ 172:sc=-0.00114 (180deg=-0.106) USER MOD Single : A 55 MET CE :methyl -156:sc= -0.0417 (180deg=-0.651) USER MOD Single : A 56 ASN : amide:sc= -0.783 X(o=-0.78,f=-0.57) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.067) USER MOD Single : A 62 THR OG1 : rot -125:sc= -3.29! USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= -0.219 (180deg=-0.927) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -2.23 K(o=-2.2,f=-1.6) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -12.082 -3.078 -0.220 1.00 0.00 N ATOM 2 CA ASN A 1 -12.696 -2.047 0.657 1.00 0.00 C ATOM 3 C ASN A 1 -14.127 -2.421 1.030 1.00 0.00 C ATOM 4 O ASN A 1 -14.616 -2.058 2.100 1.00 0.00 O ATOM 5 CB ASN A 1 -12.676 -0.705 -0.077 1.00 0.00 C ATOM 6 CG ASN A 1 -11.302 -0.364 -0.622 1.00 0.00 C ATOM 7 OD1 ASN A 1 -10.513 0.314 0.034 1.00 0.00 O ATOM 8 ND2 ASN A 1 -11.011 -0.836 -1.829 1.00 0.00 N ATOM 0 H1 ASN A 1 -11.047 -3.036 -0.133 1.00 0.00 H new ATOM 0 H2 ASN A 1 -12.415 -4.021 0.066 1.00 0.00 H new ATOM 0 H3 ASN A 1 -12.354 -2.900 -1.208 1.00 0.00 H new ATOM 0 HA ASN A 1 -12.123 -1.978 1.581 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -13.393 -0.732 -0.898 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -13.000 0.083 0.603 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -10.102 -0.640 -2.248 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -11.697 -1.394 -2.337 1.00 0.00 H new ATOM 16 N LYS A 2 -14.795 -3.148 0.140 1.00 0.00 N ATOM 17 CA LYS A 2 -16.170 -3.571 0.376 1.00 0.00 C ATOM 18 C LYS A 2 -16.212 -4.843 1.217 1.00 0.00 C ATOM 19 O LYS A 2 -17.141 -5.051 1.998 1.00 0.00 O ATOM 20 CB LYS A 2 -16.889 -3.803 -0.955 1.00 0.00 C ATOM 21 CG LYS A 2 -17.519 -2.545 -1.532 1.00 0.00 C ATOM 22 CD LYS A 2 -18.837 -2.218 -0.850 1.00 0.00 C ATOM 23 CE LYS A 2 -19.994 -2.978 -1.480 1.00 0.00 C ATOM 24 NZ LYS A 2 -20.013 -2.831 -2.963 1.00 0.00 N ATOM 0 H LYS A 2 -14.406 -3.456 -0.751 1.00 0.00 H new ATOM 0 HA LYS A 2 -16.679 -2.778 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.179 -4.208 -1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -17.664 -4.556 -0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.831 -1.707 -1.417 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -17.685 -2.677 -2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -18.771 -2.466 0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -19.026 -1.146 -0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.919 -4.034 -1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -20.935 -2.615 -1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -20.997 -2.822 -3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -19.549 -1.939 -3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -19.506 -3.629 -3.397 1.00 0.00 H new ATOM 38 N GLU A 3 -15.201 -5.689 1.052 1.00 0.00 N ATOM 39 CA GLU A 3 -15.124 -6.940 1.798 1.00 0.00 C ATOM 40 C GLU A 3 -13.773 -7.617 1.585 1.00 0.00 C ATOM 41 O GLU A 3 -13.563 -8.303 0.584 1.00 0.00 O ATOM 42 CB GLU A 3 -16.253 -7.882 1.374 1.00 0.00 C ATOM 43 CG GLU A 3 -17.501 -7.761 2.234 1.00 0.00 C ATOM 44 CD GLU A 3 -18.698 -7.247 1.459 1.00 0.00 C ATOM 45 OE1 GLU A 3 -18.922 -7.722 0.326 1.00 0.00 O ATOM 46 OE2 GLU A 3 -19.412 -6.366 1.985 1.00 0.00 O ATOM 0 H GLU A 3 -14.425 -5.532 0.409 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.232 -6.710 2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.516 -7.677 0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.892 -8.910 1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -17.740 -8.736 2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.298 -7.090 3.069 1.00 0.00 H new ATOM 53 N LEU A 4 -12.864 -7.421 2.533 1.00 0.00 N ATOM 54 CA LEU A 4 -11.534 -8.014 2.450 1.00 0.00 C ATOM 55 C LEU A 4 -11.133 -8.643 3.780 1.00 0.00 C ATOM 56 O LEU A 4 -10.804 -9.827 3.844 1.00 0.00 O ATOM 57 CB LEU A 4 -10.503 -6.957 2.041 1.00 0.00 C ATOM 58 CG LEU A 4 -10.639 -5.606 2.750 1.00 0.00 C ATOM 59 CD1 LEU A 4 -9.628 -5.490 3.881 1.00 0.00 C ATOM 60 CD2 LEU A 4 -10.465 -4.462 1.762 1.00 0.00 C ATOM 0 H LEU A 4 -13.023 -6.857 3.368 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.562 -8.797 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.505 -7.352 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.579 -6.795 0.966 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.641 -5.544 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.741 -4.523 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.799 -6.287 4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.619 -5.576 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.565 -3.511 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.477 -4.523 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.228 -4.532 0.987 1.00 0.00 H new ATOM 72 N ASP A 5 -11.164 -7.838 4.839 1.00 0.00 N ATOM 73 CA ASP A 5 -10.805 -8.300 6.178 1.00 0.00 C ATOM 74 C ASP A 5 -10.612 -7.111 7.115 1.00 0.00 C ATOM 75 O ASP A 5 -10.232 -6.024 6.681 1.00 0.00 O ATOM 76 CB ASP A 5 -9.525 -9.142 6.139 1.00 0.00 C ATOM 77 CG ASP A 5 -9.806 -10.626 6.271 1.00 0.00 C ATOM 78 OD1 ASP A 5 -10.958 -11.037 6.019 1.00 0.00 O ATOM 79 OD2 ASP A 5 -8.874 -11.377 6.629 1.00 0.00 O ATOM 0 H ASP A 5 -11.436 -6.856 4.795 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.619 -8.921 6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.999 -8.956 5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -8.862 -8.827 6.945 1.00 0.00 H new ATOM 84 N PRO A 6 -10.873 -7.299 8.420 1.00 0.00 N ATOM 85 CA PRO A 6 -10.725 -6.234 9.413 1.00 0.00 C ATOM 86 C PRO A 6 -9.265 -5.972 9.776 1.00 0.00 C ATOM 87 O PRO A 6 -8.882 -6.057 10.942 1.00 0.00 O ATOM 88 CB PRO A 6 -11.488 -6.778 10.619 1.00 0.00 C ATOM 89 CG PRO A 6 -11.364 -8.258 10.502 1.00 0.00 C ATOM 90 CD PRO A 6 -11.333 -8.563 9.028 1.00 0.00 C ATOM 0 HA PRO A 6 -11.098 -5.277 9.047 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.061 -6.417 11.555 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.532 -6.465 10.603 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.457 -8.612 10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.203 -8.758 10.985 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.654 -9.386 8.803 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.317 -8.851 8.658 1.00 0.00 H new ATOM 98 N VAL A 7 -8.456 -5.651 8.770 1.00 0.00 N ATOM 99 CA VAL A 7 -7.041 -5.377 8.987 1.00 0.00 C ATOM 100 C VAL A 7 -6.340 -5.009 7.683 1.00 0.00 C ATOM 101 O VAL A 7 -5.581 -4.042 7.627 1.00 0.00 O ATOM 102 CB VAL A 7 -6.324 -6.583 9.627 1.00 0.00 C ATOM 103 CG1 VAL A 7 -6.399 -7.798 8.716 1.00 0.00 C ATOM 104 CG2 VAL A 7 -4.878 -6.237 9.951 1.00 0.00 C ATOM 0 H VAL A 7 -8.757 -5.575 7.798 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.987 -4.530 9.671 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.832 -6.828 10.560 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.887 -8.638 9.186 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.443 -8.060 8.544 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.921 -7.569 7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.389 -7.101 10.402 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.356 -5.962 9.035 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.852 -5.400 10.649 1.00 0.00 H new ATOM 114 N GLN A 8 -6.599 -5.784 6.634 1.00 0.00 N ATOM 115 CA GLN A 8 -5.990 -5.533 5.333 1.00 0.00 C ATOM 116 C GLN A 8 -6.353 -4.142 4.825 1.00 0.00 C ATOM 117 O GLN A 8 -5.570 -3.504 4.120 1.00 0.00 O ATOM 118 CB GLN A 8 -6.434 -6.593 4.322 1.00 0.00 C ATOM 119 CG GLN A 8 -5.800 -7.955 4.551 1.00 0.00 C ATOM 120 CD GLN A 8 -5.282 -8.580 3.271 1.00 0.00 C ATOM 121 OE1 GLN A 8 -4.092 -8.870 3.145 1.00 0.00 O ATOM 122 NE2 GLN A 8 -6.176 -8.792 2.312 1.00 0.00 N ATOM 0 H GLN A 8 -7.225 -6.589 6.660 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.908 -5.588 5.449 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.518 -6.694 4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.187 -6.251 3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.978 -7.854 5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.533 -8.621 5.005 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.152 -8.536 2.459 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.886 -9.211 1.428 1.00 0.00 H new ATOM 131 N LYS A 9 -7.542 -3.673 5.192 1.00 0.00 N ATOM 132 CA LYS A 9 -8.002 -2.353 4.777 1.00 0.00 C ATOM 133 C LYS A 9 -7.226 -1.261 5.502 1.00 0.00 C ATOM 134 O LYS A 9 -6.733 -0.318 4.880 1.00 0.00 O ATOM 135 CB LYS A 9 -9.501 -2.199 5.047 1.00 0.00 C ATOM 136 CG LYS A 9 -9.879 -2.370 6.508 1.00 0.00 C ATOM 137 CD LYS A 9 -11.387 -2.344 6.701 1.00 0.00 C ATOM 138 CE LYS A 9 -11.772 -1.623 7.983 1.00 0.00 C ATOM 139 NZ LYS A 9 -13.035 -0.849 7.827 1.00 0.00 N ATOM 0 H LYS A 9 -8.203 -4.187 5.775 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.826 -2.253 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.822 -1.213 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.046 -2.932 4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.480 -3.314 6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.422 -1.576 7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.855 -1.850 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.769 -3.364 6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.888 -2.350 8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.967 -0.949 8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.263 -0.372 8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.916 -0.138 7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.809 -1.495 7.572 1.00 0.00 H new ATOM 153 N LEU A 10 -7.113 -1.397 6.819 1.00 0.00 N ATOM 154 CA LEU A 10 -6.387 -0.424 7.625 1.00 0.00 C ATOM 155 C LEU A 10 -4.914 -0.407 7.234 1.00 0.00 C ATOM 156 O LEU A 10 -4.255 0.630 7.296 1.00 0.00 O ATOM 157 CB LEU A 10 -6.536 -0.748 9.113 1.00 0.00 C ATOM 158 CG LEU A 10 -5.688 0.108 10.056 1.00 0.00 C ATOM 159 CD1 LEU A 10 -5.905 1.587 9.777 1.00 0.00 C ATOM 160 CD2 LEU A 10 -6.015 -0.215 11.507 1.00 0.00 C ATOM 0 H LEU A 10 -7.514 -2.170 7.350 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.809 0.564 7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.584 -0.635 9.390 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.277 -1.795 9.268 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.638 -0.123 9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.293 2.179 10.458 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.621 1.809 8.748 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.956 1.835 9.925 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.403 0.403 12.164 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.069 -0.012 11.696 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.807 -1.267 11.701 1.00 0.00 H new ATOM 172 N PHE A 11 -4.408 -1.565 6.824 1.00 0.00 N ATOM 173 CA PHE A 11 -3.017 -1.685 6.411 1.00 0.00 C ATOM 174 C PHE A 11 -2.760 -0.854 5.164 1.00 0.00 C ATOM 175 O PHE A 11 -1.775 -0.123 5.090 1.00 0.00 O ATOM 176 CB PHE A 11 -2.665 -3.152 6.152 1.00 0.00 C ATOM 177 CG PHE A 11 -1.233 -3.369 5.748 1.00 0.00 C ATOM 178 CD1 PHE A 11 -0.208 -2.691 6.387 1.00 0.00 C ATOM 179 CD2 PHE A 11 -0.915 -4.252 4.728 1.00 0.00 C ATOM 180 CE1 PHE A 11 1.108 -2.891 6.019 1.00 0.00 C ATOM 181 CE2 PHE A 11 0.400 -4.456 4.355 1.00 0.00 C ATOM 182 CZ PHE A 11 1.413 -3.775 5.001 1.00 0.00 C ATOM 0 H PHE A 11 -4.941 -2.433 6.769 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.383 -1.310 7.215 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.870 -3.730 7.053 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.317 -3.540 5.369 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.441 -1.998 7.182 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.704 -4.786 4.219 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.898 -2.357 6.526 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.635 -5.147 3.559 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.441 -3.933 4.711 1.00 0.00 H new ATOM 192 N VAL A 12 -3.658 -0.958 4.190 1.00 0.00 N ATOM 193 CA VAL A 12 -3.526 -0.198 2.954 1.00 0.00 C ATOM 194 C VAL A 12 -3.357 1.287 3.255 1.00 0.00 C ATOM 195 O VAL A 12 -2.766 2.027 2.469 1.00 0.00 O ATOM 196 CB VAL A 12 -4.746 -0.398 2.033 1.00 0.00 C ATOM 197 CG1 VAL A 12 -4.551 0.336 0.714 1.00 0.00 C ATOM 198 CG2 VAL A 12 -4.998 -1.881 1.796 1.00 0.00 C ATOM 0 H VAL A 12 -4.481 -1.559 4.233 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.640 -0.569 2.439 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.622 0.022 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.423 0.182 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.426 1.402 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.664 -0.049 0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.863 -2.003 1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.122 -2.328 1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.189 -2.374 2.749 1.00 0.00 H new ATOM 208 N ASP A 13 -3.871 1.713 4.406 1.00 0.00 N ATOM 209 CA ASP A 13 -3.763 3.105 4.817 1.00 0.00 C ATOM 210 C ASP A 13 -2.535 3.318 5.698 1.00 0.00 C ATOM 211 O ASP A 13 -2.395 4.358 6.340 1.00 0.00 O ATOM 212 CB ASP A 13 -5.027 3.542 5.561 1.00 0.00 C ATOM 213 CG ASP A 13 -6.075 4.119 4.631 1.00 0.00 C ATOM 214 OD1 ASP A 13 -6.827 3.330 4.022 1.00 0.00 O ATOM 215 OD2 ASP A 13 -6.144 5.361 4.512 1.00 0.00 O ATOM 0 H ASP A 13 -4.365 1.114 5.067 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.653 3.715 3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.447 2.687 6.091 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.764 4.286 6.313 1.00 0.00 H new ATOM 220 N LYS A 14 -1.634 2.337 5.704 1.00 0.00 N ATOM 221 CA LYS A 14 -0.411 2.429 6.479 1.00 0.00 C ATOM 222 C LYS A 14 0.764 2.386 5.531 1.00 0.00 C ATOM 223 O LYS A 14 1.741 3.116 5.698 1.00 0.00 O ATOM 224 CB LYS A 14 -0.323 1.294 7.501 1.00 0.00 C ATOM 225 CG LYS A 14 -1.036 1.597 8.808 1.00 0.00 C ATOM 226 CD LYS A 14 -0.353 2.723 9.567 1.00 0.00 C ATOM 227 CE LYS A 14 -1.365 3.644 10.229 1.00 0.00 C ATOM 228 NZ LYS A 14 -0.876 4.160 11.538 1.00 0.00 N ATOM 0 H LYS A 14 -1.734 1.469 5.177 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.403 3.367 7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.749 0.390 7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.726 1.084 7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.071 1.870 8.604 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.059 0.701 9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.308 2.303 10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.271 3.298 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.580 4.482 9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.302 3.107 10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.596 4.784 11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.695 3.362 12.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.004 4.695 11.393 1.00 0.00 H new ATOM 242 N ILE A 15 0.645 1.552 4.507 1.00 0.00 N ATOM 243 CA ILE A 15 1.689 1.463 3.509 1.00 0.00 C ATOM 244 C ILE A 15 1.630 2.689 2.602 1.00 0.00 C ATOM 245 O ILE A 15 2.594 3.031 1.921 1.00 0.00 O ATOM 246 CB ILE A 15 1.615 0.179 2.649 1.00 0.00 C ATOM 247 CG1 ILE A 15 0.166 -0.295 2.483 1.00 0.00 C ATOM 248 CG2 ILE A 15 2.488 -0.912 3.257 1.00 0.00 C ATOM 249 CD1 ILE A 15 -0.208 -1.450 3.386 1.00 0.00 C ATOM 0 H ILE A 15 -0.154 0.938 4.351 1.00 0.00 H new ATOM 0 HA ILE A 15 2.635 1.422 4.048 1.00 0.00 H new ATOM 0 HB ILE A 15 1.996 0.408 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.505 0.541 2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.007 -0.591 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.428 -1.811 2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.522 -0.570 3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.140 -1.137 4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.247 -1.728 3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.437 -2.303 3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.083 -1.153 4.427 1.00 0.00 H new ATOM 261 N ARG A 16 0.502 3.381 2.617 1.00 0.00 N ATOM 262 CA ARG A 16 0.374 4.584 1.826 1.00 0.00 C ATOM 263 C ARG A 16 0.810 5.781 2.659 1.00 0.00 C ATOM 264 O ARG A 16 0.678 6.928 2.235 1.00 0.00 O ATOM 265 CB ARG A 16 -1.063 4.767 1.332 1.00 0.00 C ATOM 266 CG ARG A 16 -1.398 3.925 0.111 1.00 0.00 C ATOM 267 CD ARG A 16 -2.384 4.637 -0.802 1.00 0.00 C ATOM 268 NE ARG A 16 -3.756 4.535 -0.311 1.00 0.00 N ATOM 269 CZ ARG A 16 -4.825 4.887 -1.021 1.00 0.00 C ATOM 270 NH1 ARG A 16 -4.687 5.363 -2.252 1.00 0.00 N ATOM 271 NH2 ARG A 16 -6.038 4.761 -0.498 1.00 0.00 N ATOM 0 H ARG A 16 -0.324 3.132 3.161 1.00 0.00 H new ATOM 0 HA ARG A 16 1.015 4.500 0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.751 4.513 2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.226 5.818 1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.485 3.702 -0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.819 2.971 0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.106 5.688 -0.886 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.324 4.210 -1.803 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.903 4.173 0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.757 5.461 -2.660 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.511 5.631 -2.791 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.150 4.395 0.447 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.858 5.031 -1.041 1.00 0.00 H new ATOM 285 N GLU A 17 1.332 5.498 3.858 1.00 0.00 N ATOM 286 CA GLU A 17 1.791 6.540 4.756 1.00 0.00 C ATOM 287 C GLU A 17 3.309 6.478 4.940 1.00 0.00 C ATOM 288 O GLU A 17 3.944 7.479 5.272 1.00 0.00 O ATOM 289 CB GLU A 17 1.065 6.416 6.099 1.00 0.00 C ATOM 290 CG GLU A 17 1.986 6.341 7.310 1.00 0.00 C ATOM 291 CD GLU A 17 1.230 6.415 8.623 1.00 0.00 C ATOM 292 OE1 GLU A 17 0.501 7.408 8.832 1.00 0.00 O ATOM 293 OE2 GLU A 17 1.369 5.482 9.441 1.00 0.00 O ATOM 0 H GLU A 17 1.443 4.551 4.221 1.00 0.00 H new ATOM 0 HA GLU A 17 1.558 7.511 4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.398 7.270 6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.439 5.524 6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.553 5.411 7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.708 7.157 7.264 1.00 0.00 H new ATOM 300 N TYR A 18 3.882 5.309 4.707 1.00 0.00 N ATOM 301 CA TYR A 18 5.322 5.124 4.826 1.00 0.00 C ATOM 302 C TYR A 18 5.978 5.221 3.448 1.00 0.00 C ATOM 303 O TYR A 18 7.135 5.621 3.329 1.00 0.00 O ATOM 304 CB TYR A 18 5.634 3.762 5.463 1.00 0.00 C ATOM 305 CG TYR A 18 5.644 2.658 4.449 1.00 0.00 C ATOM 306 CD1 TYR A 18 4.550 2.489 3.644 1.00 0.00 C ATOM 307 CD2 TYR A 18 6.736 1.822 4.265 1.00 0.00 C ATOM 308 CE1 TYR A 18 4.508 1.530 2.679 1.00 0.00 C ATOM 309 CE2 TYR A 18 6.710 0.836 3.294 1.00 0.00 C ATOM 310 CZ TYR A 18 5.589 0.694 2.499 1.00 0.00 C ATOM 311 OH TYR A 18 5.557 -0.277 1.524 1.00 0.00 O ATOM 0 H TYR A 18 3.371 4.470 4.433 1.00 0.00 H new ATOM 0 HA TYR A 18 5.724 5.909 5.466 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.603 3.807 5.959 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.892 3.542 6.231 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.695 3.135 3.778 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.613 1.942 4.884 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.631 1.425 2.057 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.559 0.183 3.159 1.00 0.00 H new ATOM 0 HH TYR A 18 6.400 -0.776 1.532 1.00 0.00 H new ATOM 321 N ARG A 19 5.222 4.866 2.404 1.00 0.00 N ATOM 322 CA ARG A 19 5.733 4.929 1.042 1.00 0.00 C ATOM 323 C ARG A 19 5.580 6.346 0.520 1.00 0.00 C ATOM 324 O ARG A 19 6.370 6.818 -0.298 1.00 0.00 O ATOM 325 CB ARG A 19 4.985 3.947 0.139 1.00 0.00 C ATOM 326 CG ARG A 19 5.881 3.244 -0.869 1.00 0.00 C ATOM 327 CD ARG A 19 5.513 1.776 -1.016 1.00 0.00 C ATOM 328 NE ARG A 19 6.064 1.193 -2.237 1.00 0.00 N ATOM 329 CZ ARG A 19 7.343 0.854 -2.383 1.00 0.00 C ATOM 330 NH1 ARG A 19 8.203 1.036 -1.390 1.00 0.00 N ATOM 331 NH2 ARG A 19 7.762 0.328 -3.526 1.00 0.00 N ATOM 0 H ARG A 19 4.260 4.535 2.481 1.00 0.00 H new ATOM 0 HA ARG A 19 6.787 4.651 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.493 3.198 0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.201 4.483 -0.396 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.799 3.739 -1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.921 3.329 -0.554 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.880 1.222 -0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.428 1.673 -1.023 1.00 0.00 H new ATOM 0 HE ARG A 19 5.433 1.037 -3.023 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.886 1.438 -0.508 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.182 0.774 -1.508 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.104 0.184 -4.292 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.742 0.068 -3.639 1.00 0.00 H new ATOM 345 N THR A 20 4.560 7.022 1.030 1.00 0.00 N ATOM 346 CA THR A 20 4.281 8.397 0.662 1.00 0.00 C ATOM 347 C THR A 20 5.455 9.292 1.048 1.00 0.00 C ATOM 348 O THR A 20 5.800 10.229 0.327 1.00 0.00 O ATOM 349 CB THR A 20 3.020 8.856 1.386 1.00 0.00 C ATOM 350 OG1 THR A 20 2.952 10.270 1.460 1.00 0.00 O ATOM 351 CG2 THR A 20 2.947 8.310 2.784 1.00 0.00 C ATOM 0 H THR A 20 3.906 6.631 1.708 1.00 0.00 H new ATOM 0 HA THR A 20 4.133 8.463 -0.416 1.00 0.00 H new ATOM 0 HB THR A 20 2.182 8.474 0.803 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.132 10.534 1.928 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.034 8.661 3.264 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.943 7.221 2.749 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.811 8.652 3.354 1.00 0.00 H new ATOM 359 N LYS A 21 6.066 8.993 2.195 1.00 0.00 N ATOM 360 CA LYS A 21 7.201 9.771 2.680 1.00 0.00 C ATOM 361 C LYS A 21 8.342 9.756 1.666 1.00 0.00 C ATOM 362 O LYS A 21 9.106 10.715 1.563 1.00 0.00 O ATOM 363 CB LYS A 21 7.687 9.219 4.022 1.00 0.00 C ATOM 364 CG LYS A 21 7.127 9.962 5.224 1.00 0.00 C ATOM 365 CD LYS A 21 5.606 9.978 5.209 1.00 0.00 C ATOM 366 CE LYS A 21 5.034 9.813 6.608 1.00 0.00 C ATOM 367 NZ LYS A 21 4.878 11.121 7.302 1.00 0.00 N ATOM 0 H LYS A 21 5.793 8.220 2.802 1.00 0.00 H new ATOM 0 HA LYS A 21 6.874 10.802 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.410 8.167 4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.776 9.265 4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.478 9.489 6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.503 10.985 5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.255 10.916 4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.239 9.177 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.066 9.316 6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.688 9.167 7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.485 10.965 8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.806 11.584 7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.234 11.729 6.757 1.00 0.00 H new ATOM 381 N ARG A 22 8.448 8.662 0.919 1.00 0.00 N ATOM 382 CA ARG A 22 9.493 8.523 -0.086 1.00 0.00 C ATOM 383 C ARG A 22 9.097 9.224 -1.381 1.00 0.00 C ATOM 384 O ARG A 22 9.807 10.109 -1.861 1.00 0.00 O ATOM 385 CB ARG A 22 9.776 7.044 -0.359 1.00 0.00 C ATOM 386 CG ARG A 22 10.690 6.401 0.671 1.00 0.00 C ATOM 387 CD ARG A 22 10.438 4.905 0.780 1.00 0.00 C ATOM 388 NE ARG A 22 10.952 4.354 2.032 1.00 0.00 N ATOM 389 CZ ARG A 22 11.100 3.052 2.264 1.00 0.00 C ATOM 390 NH1 ARG A 22 10.774 2.165 1.333 1.00 0.00 N ATOM 391 NH2 ARG A 22 11.574 2.636 3.430 1.00 0.00 N ATOM 0 H ARG A 22 7.823 7.859 0.991 1.00 0.00 H new ATOM 0 HA ARG A 22 10.398 8.993 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.832 6.500 -0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.228 6.945 -1.346 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.730 6.577 0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.532 6.870 1.642 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.368 4.712 0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.909 4.396 -0.061 1.00 0.00 H new ATOM 0 HE ARG A 22 11.213 5.006 2.772 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.408 2.480 0.434 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.889 1.168 1.516 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.825 3.314 4.150 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.687 1.638 3.608 1.00 0.00 H new ATOM 405 N GLN A 23 7.959 8.821 -1.944 1.00 0.00 N ATOM 406 CA GLN A 23 7.458 9.404 -3.187 1.00 0.00 C ATOM 407 C GLN A 23 8.571 9.550 -4.223 1.00 0.00 C ATOM 408 O GLN A 23 8.536 10.450 -5.063 1.00 0.00 O ATOM 409 CB GLN A 23 6.814 10.766 -2.915 1.00 0.00 C ATOM 410 CG GLN A 23 7.795 11.825 -2.440 1.00 0.00 C ATOM 411 CD GLN A 23 7.275 13.235 -2.643 1.00 0.00 C ATOM 412 OE1 GLN A 23 7.622 13.902 -3.617 1.00 0.00 O ATOM 413 NE2 GLN A 23 6.438 13.696 -1.721 1.00 0.00 N ATOM 0 H GLN A 23 7.364 8.089 -1.556 1.00 0.00 H new ATOM 0 HA GLN A 23 6.706 8.726 -3.591 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.329 11.116 -3.826 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.033 10.645 -2.164 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.008 11.669 -1.382 1.00 0.00 H new ATOM 0 HG3 GLN A 23 8.737 11.709 -2.976 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.177 13.108 -0.929 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.056 14.638 -1.804 1.00 0.00 H new ATOM 422 N THR A 24 9.553 8.657 -4.161 1.00 0.00 N ATOM 423 CA THR A 24 10.675 8.684 -5.094 1.00 0.00 C ATOM 424 C THR A 24 11.436 7.362 -5.065 1.00 0.00 C ATOM 425 O THR A 24 12.412 7.213 -4.329 1.00 0.00 O ATOM 426 CB THR A 24 11.622 9.837 -4.757 1.00 0.00 C ATOM 427 OG1 THR A 24 11.775 9.968 -3.356 1.00 0.00 O ATOM 428 CG2 THR A 24 11.157 11.172 -5.297 1.00 0.00 C ATOM 0 H THR A 24 9.595 7.904 -3.474 1.00 0.00 H new ATOM 0 HA THR A 24 10.276 8.834 -6.097 1.00 0.00 H new ATOM 0 HB THR A 24 12.568 9.582 -5.234 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.016 10.467 -2.989 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.874 11.945 -5.022 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.080 11.118 -6.383 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.182 11.415 -4.875 1.00 0.00 H new ATOM 436 N SER A 25 10.986 6.406 -5.871 1.00 0.00 N ATOM 437 CA SER A 25 11.626 5.098 -5.937 1.00 0.00 C ATOM 438 C SER A 25 12.393 4.933 -7.245 1.00 0.00 C ATOM 439 O SER A 25 12.581 5.894 -7.992 1.00 0.00 O ATOM 440 CB SER A 25 10.583 3.987 -5.801 1.00 0.00 C ATOM 441 OG SER A 25 11.200 2.715 -5.706 1.00 0.00 O ATOM 0 H SER A 25 10.180 6.513 -6.488 1.00 0.00 H new ATOM 0 HA SER A 25 12.332 5.026 -5.110 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.972 4.165 -4.916 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.913 4.006 -6.661 1.00 0.00 H new ATOM 0 HG SER A 25 10.962 2.177 -6.489 1.00 0.00 H new ATOM 447 N GLY A 26 12.835 3.710 -7.516 1.00 0.00 N ATOM 448 CA GLY A 26 13.577 3.442 -8.734 1.00 0.00 C ATOM 449 C GLY A 26 12.741 2.728 -9.778 1.00 0.00 C ATOM 450 O GLY A 26 13.275 2.002 -10.618 1.00 0.00 O ATOM 0 H GLY A 26 12.693 2.899 -6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.943 4.382 -9.147 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.452 2.836 -8.497 1.00 0.00 H new ATOM 454 N GLY A 27 11.430 2.934 -9.729 1.00 0.00 N ATOM 455 CA GLY A 27 10.543 2.297 -10.684 1.00 0.00 C ATOM 456 C GLY A 27 9.093 2.706 -10.498 1.00 0.00 C ATOM 457 O GLY A 27 8.674 3.753 -10.990 1.00 0.00 O ATOM 0 H GLY A 27 10.965 3.531 -9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.861 2.551 -11.695 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.627 1.215 -10.586 1.00 0.00 H new ATOM 461 N PRO A 28 8.293 1.891 -9.786 1.00 0.00 N ATOM 462 CA PRO A 28 6.876 2.183 -9.545 1.00 0.00 C ATOM 463 C PRO A 28 6.641 3.614 -9.079 1.00 0.00 C ATOM 464 O PRO A 28 5.969 4.390 -9.757 1.00 0.00 O ATOM 465 CB PRO A 28 6.499 1.190 -8.449 1.00 0.00 C ATOM 466 CG PRO A 28 7.400 0.033 -8.686 1.00 0.00 C ATOM 467 CD PRO A 28 8.702 0.617 -9.163 1.00 0.00 C ATOM 0 HA PRO A 28 6.280 2.088 -10.453 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.648 1.615 -7.457 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.451 0.900 -8.517 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.542 -0.545 -7.773 1.00 0.00 H new ATOM 0 HG3 PRO A 28 6.980 -0.644 -9.430 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.397 0.777 -8.339 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.200 -0.039 -9.877 1.00 0.00 H new ATOM 475 N VAL A 29 7.193 3.965 -7.921 1.00 0.00 N ATOM 476 CA VAL A 29 7.022 5.311 -7.395 1.00 0.00 C ATOM 477 C VAL A 29 7.706 6.330 -8.291 1.00 0.00 C ATOM 478 O VAL A 29 7.266 7.475 -8.390 1.00 0.00 O ATOM 479 CB VAL A 29 7.530 5.451 -5.949 1.00 0.00 C ATOM 480 CG1 VAL A 29 7.009 6.746 -5.337 1.00 0.00 C ATOM 481 CG2 VAL A 29 7.102 4.250 -5.115 1.00 0.00 C ATOM 0 H VAL A 29 7.754 3.344 -7.338 1.00 0.00 H new ATOM 0 HA VAL A 29 5.950 5.506 -7.381 1.00 0.00 H new ATOM 0 HB VAL A 29 8.619 5.485 -5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.373 6.837 -4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.362 7.594 -5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.919 6.735 -5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.470 4.365 -4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.014 4.184 -5.103 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.516 3.340 -5.549 1.00 0.00 H new ATOM 491 N ASP A 30 8.759 5.899 -8.974 1.00 0.00 N ATOM 492 CA ASP A 30 9.459 6.778 -9.897 1.00 0.00 C ATOM 493 C ASP A 30 8.530 7.137 -11.055 1.00 0.00 C ATOM 494 O ASP A 30 8.760 8.107 -11.777 1.00 0.00 O ATOM 495 CB ASP A 30 10.727 6.102 -10.425 1.00 0.00 C ATOM 496 CG ASP A 30 11.795 7.103 -10.816 1.00 0.00 C ATOM 497 OD1 ASP A 30 11.870 8.173 -10.176 1.00 0.00 O ATOM 498 OD2 ASP A 30 12.559 6.817 -11.763 1.00 0.00 O ATOM 0 H ASP A 30 9.143 4.956 -8.907 1.00 0.00 H new ATOM 0 HA ASP A 30 9.752 7.687 -9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.123 5.432 -9.662 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.475 5.487 -11.289 1.00 0.00 H new ATOM 503 N ALA A 31 7.471 6.339 -11.213 1.00 0.00 N ATOM 504 CA ALA A 31 6.489 6.551 -12.263 1.00 0.00 C ATOM 505 C ALA A 31 5.756 7.875 -12.074 1.00 0.00 C ATOM 506 O ALA A 31 5.490 8.593 -13.037 1.00 0.00 O ATOM 507 CB ALA A 31 5.500 5.393 -12.288 1.00 0.00 C ATOM 0 H ALA A 31 7.277 5.534 -10.617 1.00 0.00 H new ATOM 0 HA ALA A 31 7.012 6.595 -13.218 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.766 5.558 -13.077 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.034 4.462 -12.478 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.990 5.329 -11.327 1.00 0.00 H new ATOM 513 N GLY A 32 5.432 8.192 -10.823 1.00 0.00 N ATOM 514 CA GLY A 32 4.733 9.428 -10.527 1.00 0.00 C ATOM 515 C GLY A 32 4.613 9.685 -9.036 1.00 0.00 C ATOM 516 O GLY A 32 4.594 8.744 -8.243 1.00 0.00 O ATOM 0 H GLY A 32 5.642 7.614 -10.009 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.259 10.260 -10.995 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.737 9.393 -10.968 1.00 0.00 H new ATOM 520 N PRO A 33 4.543 10.961 -8.618 1.00 0.00 N ATOM 521 CA PRO A 33 4.436 11.333 -7.206 1.00 0.00 C ATOM 522 C PRO A 33 2.995 11.374 -6.709 1.00 0.00 C ATOM 523 O PRO A 33 2.702 10.930 -5.599 1.00 0.00 O ATOM 524 CB PRO A 33 5.036 12.731 -7.203 1.00 0.00 C ATOM 525 CG PRO A 33 4.610 13.303 -8.511 1.00 0.00 C ATOM 526 CD PRO A 33 4.581 12.152 -9.488 1.00 0.00 C ATOM 0 HA PRO A 33 4.930 10.618 -6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.665 13.324 -6.367 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.122 12.700 -7.114 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.628 13.769 -8.430 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.304 14.076 -8.842 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.709 12.201 -10.140 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.460 12.150 -10.132 1.00 0.00 H new ATOM 534 N GLU A 34 2.095 11.906 -7.532 1.00 0.00 N ATOM 535 CA GLU A 34 0.687 11.994 -7.157 1.00 0.00 C ATOM 536 C GLU A 34 -0.107 10.847 -7.770 1.00 0.00 C ATOM 537 O GLU A 34 -1.319 10.929 -7.966 1.00 0.00 O ATOM 538 CB GLU A 34 0.093 13.340 -7.573 1.00 0.00 C ATOM 539 CG GLU A 34 0.289 13.662 -9.045 1.00 0.00 C ATOM 540 CD GLU A 34 -0.934 14.305 -9.669 1.00 0.00 C ATOM 541 OE1 GLU A 34 -1.802 13.562 -10.176 1.00 0.00 O ATOM 542 OE2 GLU A 34 -1.025 15.550 -9.651 1.00 0.00 O ATOM 0 H GLU A 34 2.313 12.280 -8.456 1.00 0.00 H new ATOM 0 HA GLU A 34 0.623 11.916 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.974 13.342 -7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.547 14.129 -6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.143 14.330 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.529 12.746 -9.585 1.00 0.00 H new ATOM 549 N TYR A 35 0.607 9.768 -8.024 1.00 0.00 N ATOM 550 CA TYR A 35 0.055 8.542 -8.568 1.00 0.00 C ATOM 551 C TYR A 35 -0.414 7.654 -7.416 1.00 0.00 C ATOM 552 O TYR A 35 -0.332 6.434 -7.493 1.00 0.00 O ATOM 553 CB TYR A 35 1.156 7.818 -9.342 1.00 0.00 C ATOM 554 CG TYR A 35 2.142 7.149 -8.412 1.00 0.00 C ATOM 555 CD1 TYR A 35 2.398 7.694 -7.158 1.00 0.00 C ATOM 556 CD2 TYR A 35 2.781 5.971 -8.755 1.00 0.00 C ATOM 557 CE1 TYR A 35 3.255 7.100 -6.281 1.00 0.00 C ATOM 558 CE2 TYR A 35 3.644 5.355 -7.873 1.00 0.00 C ATOM 559 CZ TYR A 35 3.879 5.925 -6.633 1.00 0.00 C ATOM 560 OH TYR A 35 4.729 5.312 -5.745 1.00 0.00 O ATOM 0 H TYR A 35 1.611 9.718 -7.854 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.785 8.764 -9.226 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.709 7.071 -9.998 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.681 8.529 -9.980 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.905 8.611 -6.872 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.602 5.529 -9.724 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.443 7.548 -5.317 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.134 4.433 -8.148 1.00 0.00 H new ATOM 0 HH TYR A 35 4.640 4.339 -5.825 1.00 0.00 H new ATOM 570 N GLN A 36 -0.858 8.286 -6.331 1.00 0.00 N ATOM 571 CA GLN A 36 -1.307 7.580 -5.127 1.00 0.00 C ATOM 572 C GLN A 36 -2.076 6.311 -5.471 1.00 0.00 C ATOM 573 O GLN A 36 -2.078 5.347 -4.706 1.00 0.00 O ATOM 574 CB GLN A 36 -2.181 8.500 -4.273 1.00 0.00 C ATOM 575 CG GLN A 36 -1.556 9.859 -4.007 1.00 0.00 C ATOM 576 CD GLN A 36 -1.649 10.269 -2.549 1.00 0.00 C ATOM 577 OE1 GLN A 36 -2.713 10.184 -1.936 1.00 0.00 O ATOM 578 NE2 GLN A 36 -0.532 10.718 -1.988 1.00 0.00 N ATOM 0 H GLN A 36 -0.918 9.302 -6.259 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.419 7.292 -4.564 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.140 8.642 -4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.386 8.011 -3.321 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.509 9.838 -4.309 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.051 10.609 -4.624 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.328 10.771 -2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.534 11.009 -1.011 1.00 0.00 H new ATOM 587 N GLN A 37 -2.719 6.320 -6.626 1.00 0.00 N ATOM 588 CA GLN A 37 -3.488 5.162 -7.074 1.00 0.00 C ATOM 589 C GLN A 37 -2.563 4.069 -7.597 1.00 0.00 C ATOM 590 O GLN A 37 -2.851 2.880 -7.464 1.00 0.00 O ATOM 591 CB GLN A 37 -4.489 5.568 -8.157 1.00 0.00 C ATOM 592 CG GLN A 37 -5.841 5.993 -7.606 1.00 0.00 C ATOM 593 CD GLN A 37 -6.018 7.499 -7.592 1.00 0.00 C ATOM 594 OE1 GLN A 37 -6.765 8.055 -8.397 1.00 0.00 O ATOM 595 NE2 GLN A 37 -5.330 8.167 -6.674 1.00 0.00 N ATOM 0 H GLN A 37 -2.727 7.110 -7.271 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.038 4.770 -6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.069 6.388 -8.739 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.631 4.731 -8.841 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.632 5.544 -8.207 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.953 5.608 -6.592 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.722 7.665 -6.027 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.409 9.182 -6.616 1.00 0.00 H new ATOM 604 N ASP A 38 -1.443 4.481 -8.177 1.00 0.00 N ATOM 605 CA ASP A 38 -0.462 3.547 -8.703 1.00 0.00 C ATOM 606 C ASP A 38 0.354 2.949 -7.561 1.00 0.00 C ATOM 607 O ASP A 38 0.692 1.766 -7.575 1.00 0.00 O ATOM 608 CB ASP A 38 0.454 4.257 -9.699 1.00 0.00 C ATOM 609 CG ASP A 38 0.137 3.894 -11.137 1.00 0.00 C ATOM 610 OD1 ASP A 38 -1.049 3.640 -11.437 1.00 0.00 O ATOM 611 OD2 ASP A 38 1.073 3.863 -11.962 1.00 0.00 O ATOM 0 H ASP A 38 -1.193 5.463 -8.294 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.980 2.740 -9.221 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.360 5.335 -9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.491 3.999 -9.482 1.00 0.00 H new ATOM 616 N LEU A 39 0.652 3.781 -6.566 1.00 0.00 N ATOM 617 CA LEU A 39 1.411 3.341 -5.401 1.00 0.00 C ATOM 618 C LEU A 39 0.642 2.260 -4.658 1.00 0.00 C ATOM 619 O LEU A 39 1.215 1.275 -4.193 1.00 0.00 O ATOM 620 CB LEU A 39 1.677 4.523 -4.463 1.00 0.00 C ATOM 621 CG LEU A 39 2.302 4.160 -3.114 1.00 0.00 C ATOM 622 CD1 LEU A 39 3.706 3.609 -3.305 1.00 0.00 C ATOM 623 CD2 LEU A 39 2.323 5.373 -2.194 1.00 0.00 C ATOM 0 H LEU A 39 0.379 4.764 -6.544 1.00 0.00 H new ATOM 0 HA LEU A 39 2.365 2.936 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.335 5.228 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.735 5.040 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 39 1.692 3.385 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.133 3.357 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.664 2.714 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.329 4.360 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.771 5.098 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.910 6.168 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.304 5.723 -2.030 1.00 0.00 H new ATOM 635 N ASP A 40 -0.667 2.459 -4.556 1.00 0.00 N ATOM 636 CA ASP A 40 -1.535 1.507 -3.873 1.00 0.00 C ATOM 637 C ASP A 40 -1.472 0.138 -4.541 1.00 0.00 C ATOM 638 O ASP A 40 -1.655 -0.891 -3.890 1.00 0.00 O ATOM 639 CB ASP A 40 -2.978 2.017 -3.860 1.00 0.00 C ATOM 640 CG ASP A 40 -3.871 1.201 -2.946 1.00 0.00 C ATOM 641 OD1 ASP A 40 -3.351 0.616 -1.973 1.00 0.00 O ATOM 642 OD2 ASP A 40 -5.092 1.146 -3.205 1.00 0.00 O ATOM 0 H ASP A 40 -1.151 3.272 -4.938 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.185 1.406 -2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.989 3.059 -3.539 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.379 1.991 -4.873 1.00 0.00 H new ATOM 647 N ARG A 41 -1.205 0.132 -5.842 1.00 0.00 N ATOM 648 CA ARG A 41 -1.110 -1.113 -6.592 1.00 0.00 C ATOM 649 C ARG A 41 0.158 -1.865 -6.205 1.00 0.00 C ATOM 650 O ARG A 41 0.182 -3.096 -6.186 1.00 0.00 O ATOM 651 CB ARG A 41 -1.125 -0.825 -8.099 1.00 0.00 C ATOM 652 CG ARG A 41 -0.733 -2.016 -8.959 1.00 0.00 C ATOM 653 CD ARG A 41 0.736 -1.960 -9.344 1.00 0.00 C ATOM 654 NE ARG A 41 0.961 -2.414 -10.715 1.00 0.00 N ATOM 655 CZ ARG A 41 0.620 -1.715 -11.793 1.00 0.00 C ATOM 656 NH1 ARG A 41 0.039 -0.528 -11.667 1.00 0.00 N ATOM 657 NH2 ARG A 41 0.861 -2.201 -13.003 1.00 0.00 N ATOM 0 H ARG A 41 -1.051 0.974 -6.397 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.970 -1.737 -6.350 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.124 -0.496 -8.386 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.445 0.001 -8.308 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.934 -2.940 -8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.347 -2.034 -9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.100 -0.938 -9.236 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.314 -2.579 -8.658 1.00 0.00 H new ATOM 0 HE ARG A 41 1.406 -3.321 -10.853 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.148 -0.148 -10.739 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.220 0.004 -12.498 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.308 -3.112 -13.107 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.599 -1.664 -13.830 1.00 0.00 H new ATOM 671 N GLU A 42 1.208 -1.115 -5.887 1.00 0.00 N ATOM 672 CA GLU A 42 2.476 -1.710 -5.487 1.00 0.00 C ATOM 673 C GLU A 42 2.379 -2.258 -4.070 1.00 0.00 C ATOM 674 O GLU A 42 2.811 -3.379 -3.795 1.00 0.00 O ATOM 675 CB GLU A 42 3.603 -0.678 -5.576 1.00 0.00 C ATOM 676 CG GLU A 42 4.973 -1.243 -5.236 1.00 0.00 C ATOM 677 CD GLU A 42 5.211 -1.334 -3.740 1.00 0.00 C ATOM 678 OE1 GLU A 42 4.454 -0.699 -2.977 1.00 0.00 O ATOM 679 OE2 GLU A 42 6.157 -2.041 -3.333 1.00 0.00 O ATOM 0 H GLU A 42 1.205 -0.095 -5.899 1.00 0.00 H new ATOM 0 HA GLU A 42 2.701 -2.532 -6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.629 -0.267 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.382 0.148 -4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.073 -2.235 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.743 -0.615 -5.685 1.00 0.00 H new ATOM 686 N LEU A 43 1.799 -1.466 -3.174 1.00 0.00 N ATOM 687 CA LEU A 43 1.634 -1.881 -1.788 1.00 0.00 C ATOM 688 C LEU A 43 0.629 -3.022 -1.698 1.00 0.00 C ATOM 689 O LEU A 43 0.752 -3.909 -0.855 1.00 0.00 O ATOM 690 CB LEU A 43 1.180 -0.700 -0.922 1.00 0.00 C ATOM 691 CG LEU A 43 -0.267 -0.240 -1.128 1.00 0.00 C ATOM 692 CD1 LEU A 43 -1.251 -1.211 -0.484 1.00 0.00 C ATOM 693 CD2 LEU A 43 -0.457 1.161 -0.565 1.00 0.00 C ATOM 0 H LEU A 43 1.437 -0.536 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 43 2.596 -2.231 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.310 -0.971 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.841 0.144 -1.117 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.468 -0.221 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.269 -0.858 -0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.133 -2.198 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.055 -1.271 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.489 1.477 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.232 1.158 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.213 1.852 -1.076 1.00 0.00 H new ATOM 705 N PHE A 44 -0.364 -2.993 -2.580 1.00 0.00 N ATOM 706 CA PHE A 44 -1.389 -4.026 -2.609 1.00 0.00 C ATOM 707 C PHE A 44 -0.771 -5.374 -2.969 1.00 0.00 C ATOM 708 O PHE A 44 -1.245 -6.422 -2.529 1.00 0.00 O ATOM 709 CB PHE A 44 -2.486 -3.645 -3.613 1.00 0.00 C ATOM 710 CG PHE A 44 -3.220 -4.819 -4.201 1.00 0.00 C ATOM 711 CD1 PHE A 44 -4.116 -5.547 -3.436 1.00 0.00 C ATOM 712 CD2 PHE A 44 -3.010 -5.192 -5.518 1.00 0.00 C ATOM 713 CE1 PHE A 44 -4.790 -6.626 -3.975 1.00 0.00 C ATOM 714 CE2 PHE A 44 -3.681 -6.269 -6.063 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.573 -6.987 -5.291 1.00 0.00 C ATOM 0 H PHE A 44 -0.480 -2.264 -3.284 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.838 -4.111 -1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.205 -2.993 -3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.038 -3.069 -4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.290 -5.268 -2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.313 -4.634 -6.126 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.486 -7.187 -3.368 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.508 -6.549 -7.092 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.100 -7.829 -5.715 1.00 0.00 H new ATOM 725 N LYS A 45 0.292 -5.337 -3.767 1.00 0.00 N ATOM 726 CA LYS A 45 0.975 -6.555 -4.181 1.00 0.00 C ATOM 727 C LYS A 45 1.499 -7.320 -2.971 1.00 0.00 C ATOM 728 O LYS A 45 1.563 -8.548 -2.984 1.00 0.00 O ATOM 729 CB LYS A 45 2.128 -6.221 -5.129 1.00 0.00 C ATOM 730 CG LYS A 45 2.395 -7.301 -6.165 1.00 0.00 C ATOM 731 CD LYS A 45 2.841 -6.704 -7.489 1.00 0.00 C ATOM 732 CE LYS A 45 4.133 -5.917 -7.340 1.00 0.00 C ATOM 733 NZ LYS A 45 4.338 -4.964 -8.464 1.00 0.00 N ATOM 0 H LYS A 45 0.697 -4.478 -4.138 1.00 0.00 H new ATOM 0 HA LYS A 45 0.257 -7.186 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.907 -5.284 -5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.033 -6.058 -4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.162 -7.981 -5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.492 -7.892 -6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.982 -7.501 -8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.059 -6.051 -7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.117 -5.369 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.975 -6.608 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.230 -4.448 -8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.379 -5.489 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.548 -4.288 -8.495 1.00 0.00 H new ATOM 747 N LEU A 46 1.873 -6.585 -1.925 1.00 0.00 N ATOM 748 CA LEU A 46 2.391 -7.194 -0.707 1.00 0.00 C ATOM 749 C LEU A 46 1.370 -8.145 -0.098 1.00 0.00 C ATOM 750 O LEU A 46 1.676 -9.303 0.187 1.00 0.00 O ATOM 751 CB LEU A 46 2.761 -6.113 0.310 1.00 0.00 C ATOM 752 CG LEU A 46 4.156 -5.510 0.141 1.00 0.00 C ATOM 753 CD1 LEU A 46 4.336 -4.316 1.067 1.00 0.00 C ATOM 754 CD2 LEU A 46 5.226 -6.559 0.407 1.00 0.00 C ATOM 0 H LEU A 46 1.826 -5.566 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 46 3.283 -7.763 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.026 -5.311 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.685 -6.537 1.311 1.00 0.00 H new ATOM 0 HG LEU A 46 4.261 -5.166 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.334 -3.899 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.591 -3.556 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.212 -4.636 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.212 -6.112 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.123 -6.933 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.110 -7.384 -0.296 1.00 0.00 H new ATOM 766 N LYS A 47 0.154 -7.647 0.105 1.00 0.00 N ATOM 767 CA LYS A 47 -0.916 -8.450 0.686 1.00 0.00 C ATOM 768 C LYS A 47 -1.089 -9.768 -0.065 1.00 0.00 C ATOM 769 O LYS A 47 -1.533 -10.764 0.505 1.00 0.00 O ATOM 770 CB LYS A 47 -2.231 -7.669 0.678 1.00 0.00 C ATOM 771 CG LYS A 47 -2.369 -6.699 1.840 1.00 0.00 C ATOM 772 CD LYS A 47 -1.978 -5.286 1.437 1.00 0.00 C ATOM 773 CE LYS A 47 -3.200 -4.433 1.139 1.00 0.00 C ATOM 774 NZ LYS A 47 -4.088 -5.068 0.126 1.00 0.00 N ATOM 0 H LYS A 47 -0.115 -6.690 -0.125 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.641 -8.678 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.310 -7.116 -0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.063 -8.373 0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.398 -6.704 2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.741 -7.029 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.398 -4.826 2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.335 -5.322 0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.760 -4.267 2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.881 -3.455 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.772 -4.367 -0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.514 -5.418 -0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.599 -5.863 0.561 1.00 0.00 H new ATOM 788 N GLN A 48 -0.737 -9.767 -1.347 1.00 0.00 N ATOM 789 CA GLN A 48 -0.855 -10.966 -2.172 1.00 0.00 C ATOM 790 C GLN A 48 0.298 -11.926 -1.905 1.00 0.00 C ATOM 791 O GLN A 48 0.124 -13.144 -1.938 1.00 0.00 O ATOM 792 CB GLN A 48 -0.892 -10.589 -3.655 1.00 0.00 C ATOM 793 CG GLN A 48 -2.299 -10.424 -4.206 1.00 0.00 C ATOM 794 CD GLN A 48 -3.129 -9.443 -3.400 1.00 0.00 C ATOM 795 OE1 GLN A 48 -2.742 -8.289 -3.217 1.00 0.00 O ATOM 796 NE2 GLN A 48 -4.277 -9.900 -2.913 1.00 0.00 N ATOM 0 H GLN A 48 -0.368 -8.952 -1.837 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.787 -11.467 -1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.343 -9.658 -3.798 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.374 -11.357 -4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.243 -10.083 -5.240 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.797 -11.393 -4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.558 -10.864 -3.090 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.878 -9.287 -2.362 1.00 0.00 H new ATOM 805 N MET A 49 1.474 -11.371 -1.631 1.00 0.00 N ATOM 806 CA MET A 49 2.654 -12.184 -1.348 1.00 0.00 C ATOM 807 C MET A 49 2.635 -12.646 0.105 1.00 0.00 C ATOM 808 O MET A 49 3.147 -13.714 0.436 1.00 0.00 O ATOM 809 CB MET A 49 3.947 -11.406 -1.632 1.00 0.00 C ATOM 810 CG MET A 49 3.759 -10.195 -2.533 1.00 0.00 C ATOM 811 SD MET A 49 5.318 -9.512 -3.126 1.00 0.00 S ATOM 812 CE MET A 49 4.854 -7.803 -3.392 1.00 0.00 C ATOM 0 H MET A 49 1.636 -10.365 -1.599 1.00 0.00 H new ATOM 0 HA MET A 49 2.629 -13.054 -2.005 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.376 -11.078 -0.685 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.670 -12.079 -2.093 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.143 -10.476 -3.387 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.215 -9.424 -1.988 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.511 -7.360 -4.140 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.823 -7.756 -3.742 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.945 -7.251 -2.456 1.00 0.00 H new ATOM 822 N TYR A 50 2.034 -11.831 0.964 1.00 0.00 N ATOM 823 CA TYR A 50 1.936 -12.150 2.382 1.00 0.00 C ATOM 824 C TYR A 50 0.845 -13.186 2.627 1.00 0.00 C ATOM 825 O TYR A 50 0.916 -13.962 3.580 1.00 0.00 O ATOM 826 CB TYR A 50 1.647 -10.883 3.188 1.00 0.00 C ATOM 827 CG TYR A 50 2.864 -10.008 3.392 1.00 0.00 C ATOM 828 CD1 TYR A 50 3.944 -10.458 4.140 1.00 0.00 C ATOM 829 CD2 TYR A 50 2.933 -8.735 2.837 1.00 0.00 C ATOM 830 CE1 TYR A 50 5.059 -9.666 4.330 1.00 0.00 C ATOM 831 CE2 TYR A 50 4.045 -7.937 3.024 1.00 0.00 C ATOM 832 CZ TYR A 50 5.105 -8.407 3.770 1.00 0.00 C ATOM 833 OH TYR A 50 6.215 -7.614 3.956 1.00 0.00 O ATOM 0 H TYR A 50 1.607 -10.943 0.702 1.00 0.00 H new ATOM 0 HA TYR A 50 2.889 -12.568 2.707 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.875 -10.306 2.679 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.244 -11.165 4.161 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.911 -11.444 4.580 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.105 -8.365 2.251 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.891 -10.031 4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.084 -6.950 2.588 1.00 0.00 H new ATOM 0 HH TYR A 50 6.519 -7.268 3.091 1.00 0.00 H new ATOM 843 N GLY A 51 -0.163 -13.196 1.758 1.00 0.00 N ATOM 844 CA GLY A 51 -1.251 -14.145 1.898 1.00 0.00 C ATOM 845 C GLY A 51 -0.858 -15.542 1.459 1.00 0.00 C ATOM 846 O GLY A 51 -1.433 -16.529 1.919 1.00 0.00 O ATOM 0 H GLY A 51 -0.244 -12.564 0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.575 -14.171 2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.103 -13.807 1.307 1.00 0.00 H new ATOM 850 N LYS A 52 0.124 -15.628 0.566 1.00 0.00 N ATOM 851 CA LYS A 52 0.592 -16.915 0.066 1.00 0.00 C ATOM 852 C LYS A 52 1.879 -17.337 0.766 1.00 0.00 C ATOM 853 O LYS A 52 2.137 -18.527 0.949 1.00 0.00 O ATOM 854 CB LYS A 52 0.819 -16.846 -1.445 1.00 0.00 C ATOM 855 CG LYS A 52 1.075 -18.201 -2.084 1.00 0.00 C ATOM 856 CD LYS A 52 -0.061 -19.172 -1.803 1.00 0.00 C ATOM 857 CE LYS A 52 0.126 -20.480 -2.556 1.00 0.00 C ATOM 858 NZ LYS A 52 1.383 -21.174 -2.160 1.00 0.00 N ATOM 0 H LYS A 52 0.610 -14.821 0.174 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.176 -17.659 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.053 -16.391 -1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.667 -16.192 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.194 -18.080 -3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.010 -18.613 -1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.115 -19.371 -0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.009 -18.718 -2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.725 -21.134 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.142 -20.283 -3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.408 -22.120 -2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.202 -20.623 -2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.418 -21.264 -1.125 1.00 0.00 H new ATOM 872 N ALA A 53 2.686 -16.355 1.157 1.00 0.00 N ATOM 873 CA ALA A 53 3.946 -16.627 1.836 1.00 0.00 C ATOM 874 C ALA A 53 3.707 -17.118 3.261 1.00 0.00 C ATOM 875 O ALA A 53 3.752 -18.319 3.529 1.00 0.00 O ATOM 876 CB ALA A 53 4.823 -15.383 1.842 1.00 0.00 C ATOM 0 H ALA A 53 2.489 -15.364 1.015 1.00 0.00 H new ATOM 0 HA ALA A 53 4.462 -17.417 1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.761 -15.601 2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.031 -15.079 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.306 -14.576 2.362 1.00 0.00 H new ATOM 882 N ASP A 54 3.454 -16.183 4.174 1.00 0.00 N ATOM 883 CA ASP A 54 3.208 -16.523 5.570 1.00 0.00 C ATOM 884 C ASP A 54 2.901 -15.273 6.388 1.00 0.00 C ATOM 885 O ASP A 54 2.033 -15.287 7.261 1.00 0.00 O ATOM 886 CB ASP A 54 4.419 -17.248 6.163 1.00 0.00 C ATOM 887 CG ASP A 54 4.179 -17.703 7.589 1.00 0.00 C ATOM 888 OD1 ASP A 54 3.000 -17.812 7.988 1.00 0.00 O ATOM 889 OD2 ASP A 54 5.170 -17.951 8.308 1.00 0.00 O ATOM 0 H ASP A 54 3.414 -15.184 3.970 1.00 0.00 H new ATOM 0 HA ASP A 54 2.342 -17.184 5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.660 -18.112 5.544 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.284 -16.586 6.137 1.00 0.00 H new ATOM 894 N MET A 55 3.621 -14.192 6.100 1.00 0.00 N ATOM 895 CA MET A 55 3.427 -12.932 6.810 1.00 0.00 C ATOM 896 C MET A 55 3.738 -13.090 8.295 1.00 0.00 C ATOM 897 O MET A 55 3.165 -12.397 9.135 1.00 0.00 O ATOM 898 CB MET A 55 1.992 -12.434 6.626 1.00 0.00 C ATOM 899 CG MET A 55 1.808 -10.968 6.982 1.00 0.00 C ATOM 900 SD MET A 55 0.214 -10.637 7.759 1.00 0.00 S ATOM 901 CE MET A 55 -0.892 -11.497 6.643 1.00 0.00 C ATOM 0 H MET A 55 4.343 -14.164 5.380 1.00 0.00 H new ATOM 0 HA MET A 55 4.115 -12.198 6.390 1.00 0.00 H new ATOM 0 HB2 MET A 55 1.693 -12.588 5.589 1.00 0.00 H new ATOM 0 HB3 MET A 55 1.325 -13.036 7.243 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.607 -10.658 7.655 1.00 0.00 H new ATOM 0 HG3 MET A 55 1.900 -10.364 6.079 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.889 -11.062 6.712 1.00 0.00 H new ATOM 0 HE2 MET A 55 -0.524 -11.402 5.621 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.937 -12.551 6.916 1.00 0.00 H new ATOM 911 N ASN A 56 4.651 -14.003 8.609 1.00 0.00 N ATOM 912 CA ASN A 56 5.042 -14.250 9.992 1.00 0.00 C ATOM 913 C ASN A 56 6.560 -14.218 10.136 1.00 0.00 C ATOM 914 O ASN A 56 7.130 -14.926 10.967 1.00 0.00 O ATOM 915 CB ASN A 56 4.500 -15.600 10.464 1.00 0.00 C ATOM 916 CG ASN A 56 4.711 -15.820 11.949 1.00 0.00 C ATOM 917 OD1 ASN A 56 5.258 -16.841 12.366 1.00 0.00 O ATOM 918 ND2 ASN A 56 4.276 -14.860 12.757 1.00 0.00 N ATOM 0 H ASN A 56 5.134 -14.584 7.924 1.00 0.00 H new ATOM 0 HA ASN A 56 4.617 -13.461 10.613 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.435 -15.660 10.238 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.989 -16.400 9.908 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.390 -14.953 13.766 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.828 -14.030 12.368 1.00 0.00 H new ATOM 925 N THR A 57 7.207 -13.393 9.322 1.00 0.00 N ATOM 926 CA THR A 57 8.660 -13.268 9.354 1.00 0.00 C ATOM 927 C THR A 57 9.093 -11.844 9.017 1.00 0.00 C ATOM 928 O THR A 57 9.962 -11.278 9.681 1.00 0.00 O ATOM 929 CB THR A 57 9.298 -14.252 8.372 1.00 0.00 C ATOM 930 OG1 THR A 57 10.711 -14.211 8.469 1.00 0.00 O ATOM 931 CG2 THR A 57 8.928 -13.981 6.930 1.00 0.00 C ATOM 0 H THR A 57 6.748 -12.800 8.631 1.00 0.00 H new ATOM 0 HA THR A 57 8.997 -13.501 10.364 1.00 0.00 H new ATOM 0 HB THR A 57 8.912 -15.232 8.651 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.101 -14.848 7.835 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.413 -14.714 6.286 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.847 -14.054 6.812 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.257 -12.980 6.652 1.00 0.00 H new ATOM 939 N PHE A 58 8.486 -11.275 7.981 1.00 0.00 N ATOM 940 CA PHE A 58 8.809 -9.919 7.552 1.00 0.00 C ATOM 941 C PHE A 58 7.806 -8.912 8.115 1.00 0.00 C ATOM 942 O PHE A 58 6.664 -8.847 7.658 1.00 0.00 O ATOM 943 CB PHE A 58 8.820 -9.840 6.025 1.00 0.00 C ATOM 944 CG PHE A 58 9.965 -10.583 5.400 1.00 0.00 C ATOM 945 CD1 PHE A 58 11.266 -10.336 5.805 1.00 0.00 C ATOM 946 CD2 PHE A 58 9.739 -11.527 4.413 1.00 0.00 C ATOM 947 CE1 PHE A 58 12.323 -11.019 5.235 1.00 0.00 C ATOM 948 CE2 PHE A 58 10.792 -12.213 3.838 1.00 0.00 C ATOM 949 CZ PHE A 58 12.086 -11.958 4.250 1.00 0.00 C ATOM 0 H PHE A 58 7.766 -11.733 7.422 1.00 0.00 H new ATOM 0 HA PHE A 58 9.799 -9.670 7.934 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.882 -10.242 5.641 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.867 -8.794 5.723 1.00 0.00 H new ATOM 0 HD1 PHE A 58 11.456 -9.602 6.574 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.729 -11.730 4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 58 13.334 -10.819 5.559 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.604 -12.947 3.068 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.911 -12.492 3.802 1.00 0.00 H new ATOM 959 N PRO A 59 8.213 -8.111 9.117 1.00 0.00 N ATOM 960 CA PRO A 59 7.346 -7.113 9.738 1.00 0.00 C ATOM 961 C PRO A 59 7.263 -5.827 8.919 1.00 0.00 C ATOM 962 O PRO A 59 7.469 -4.732 9.441 1.00 0.00 O ATOM 963 CB PRO A 59 8.015 -6.843 11.100 1.00 0.00 C ATOM 964 CG PRO A 59 9.221 -7.732 11.156 1.00 0.00 C ATOM 965 CD PRO A 59 9.539 -8.107 9.739 1.00 0.00 C ATOM 0 HA PRO A 59 6.318 -7.466 9.820 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.299 -5.795 11.193 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.331 -7.062 11.920 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.062 -7.216 11.619 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.021 -8.619 11.757 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.208 -7.387 9.267 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.022 -9.082 9.674 1.00 0.00 H new ATOM 973 N ASN A 60 6.955 -5.965 7.632 1.00 0.00 N ATOM 974 CA ASN A 60 6.843 -4.809 6.747 1.00 0.00 C ATOM 975 C ASN A 60 5.749 -3.858 7.226 1.00 0.00 C ATOM 976 O ASN A 60 5.720 -2.688 6.844 1.00 0.00 O ATOM 977 CB ASN A 60 6.550 -5.263 5.316 1.00 0.00 C ATOM 978 CG ASN A 60 6.489 -4.104 4.341 1.00 0.00 C ATOM 979 OD1 ASN A 60 7.492 -3.739 3.728 1.00 0.00 O ATOM 980 ND2 ASN A 60 5.307 -3.516 4.194 1.00 0.00 N ATOM 0 H ASN A 60 6.779 -6.862 7.180 1.00 0.00 H new ATOM 0 HA ASN A 60 7.794 -4.277 6.765 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.321 -5.963 4.995 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.602 -5.801 5.296 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.205 -2.729 3.553 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.501 -3.851 4.722 1.00 0.00 H new ATOM 987 N PHE A 61 4.850 -4.366 8.065 1.00 0.00 N ATOM 988 CA PHE A 61 3.757 -3.561 8.596 1.00 0.00 C ATOM 989 C PHE A 61 4.124 -2.970 9.955 1.00 0.00 C ATOM 990 O PHE A 61 3.287 -2.881 10.853 1.00 0.00 O ATOM 991 CB PHE A 61 2.476 -4.403 8.703 1.00 0.00 C ATOM 992 CG PHE A 61 2.408 -5.305 9.911 1.00 0.00 C ATOM 993 CD1 PHE A 61 3.561 -5.783 10.518 1.00 0.00 C ATOM 994 CD2 PHE A 61 1.180 -5.677 10.436 1.00 0.00 C ATOM 995 CE1 PHE A 61 3.488 -6.611 11.623 1.00 0.00 C ATOM 996 CE2 PHE A 61 1.102 -6.505 11.539 1.00 0.00 C ATOM 997 CZ PHE A 61 2.258 -6.973 12.133 1.00 0.00 C ATOM 0 H PHE A 61 4.858 -5.332 8.391 1.00 0.00 H new ATOM 0 HA PHE A 61 3.576 -2.736 7.907 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.618 -3.732 8.720 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.384 -5.015 7.805 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.527 -5.505 10.123 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.272 -5.315 9.977 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.393 -6.974 12.087 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.138 -6.786 11.937 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.199 -7.621 12.995 1.00 0.00 H new ATOM 1007 N THR A 62 5.382 -2.566 10.096 1.00 0.00 N ATOM 1008 CA THR A 62 5.864 -1.982 11.339 1.00 0.00 C ATOM 1009 C THR A 62 5.508 -0.497 11.397 1.00 0.00 C ATOM 1010 O THR A 62 6.378 0.368 11.484 1.00 0.00 O ATOM 1011 CB THR A 62 7.379 -2.209 11.473 1.00 0.00 C ATOM 1012 OG1 THR A 62 7.757 -2.296 12.833 1.00 0.00 O ATOM 1013 CG2 THR A 62 8.232 -1.133 10.836 1.00 0.00 C ATOM 0 H THR A 62 6.087 -2.633 9.362 1.00 0.00 H new ATOM 0 HA THR A 62 5.377 -2.471 12.182 1.00 0.00 H new ATOM 0 HB THR A 62 7.560 -3.143 10.941 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.461 -1.640 13.020 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.286 -1.373 10.978 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.012 -1.078 9.770 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.013 -0.172 11.301 1.00 0.00 H new ATOM 1021 N PHE A 63 4.208 -0.216 11.340 1.00 0.00 N ATOM 1022 CA PHE A 63 3.701 1.158 11.377 1.00 0.00 C ATOM 1023 C PHE A 63 4.544 2.045 12.290 1.00 0.00 C ATOM 1024 O PHE A 63 4.749 3.225 12.007 1.00 0.00 O ATOM 1025 CB PHE A 63 2.240 1.171 11.838 1.00 0.00 C ATOM 1026 CG PHE A 63 1.363 0.184 11.113 1.00 0.00 C ATOM 1027 CD1 PHE A 63 1.709 -0.289 9.854 1.00 0.00 C ATOM 1028 CD2 PHE A 63 0.188 -0.270 11.692 1.00 0.00 C ATOM 1029 CE1 PHE A 63 0.901 -1.193 9.191 1.00 0.00 C ATOM 1030 CE2 PHE A 63 -0.623 -1.174 11.034 1.00 0.00 C ATOM 1031 CZ PHE A 63 -0.266 -1.636 9.782 1.00 0.00 C ATOM 0 H PHE A 63 3.480 -0.926 11.267 1.00 0.00 H new ATOM 0 HA PHE A 63 3.765 1.561 10.366 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.204 0.958 12.906 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.834 2.173 11.699 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.621 0.054 9.387 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.097 0.088 12.670 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.182 -1.553 8.212 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.535 -1.519 11.498 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.899 -2.343 9.266 1.00 0.00 H new ATOM 1041 N GLU A 64 5.042 1.463 13.377 1.00 0.00 N ATOM 1042 CA GLU A 64 5.875 2.196 14.321 1.00 0.00 C ATOM 1043 C GLU A 64 6.428 1.264 15.392 1.00 0.00 C ATOM 1044 O GLU A 64 6.337 1.546 16.588 1.00 0.00 O ATOM 1045 CB GLU A 64 5.082 3.336 14.959 1.00 0.00 C ATOM 1046 CG GLU A 64 5.275 4.666 14.252 1.00 0.00 C ATOM 1047 CD GLU A 64 5.594 5.798 15.210 1.00 0.00 C ATOM 1048 OE1 GLU A 64 4.759 6.079 16.096 1.00 0.00 O ATOM 1049 OE2 GLU A 64 6.677 6.405 15.072 1.00 0.00 O ATOM 0 H GLU A 64 4.883 0.486 13.625 1.00 0.00 H new ATOM 0 HA GLU A 64 6.716 2.622 13.775 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.023 3.080 14.955 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.381 3.439 16.002 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.082 4.573 13.525 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.371 4.911 13.695 1.00 0.00 H new ATOM 1056 N ASP A 65 7.006 0.150 14.954 1.00 0.00 N ATOM 1057 CA ASP A 65 7.579 -0.827 15.870 1.00 0.00 C ATOM 1058 C ASP A 65 9.107 -0.745 15.860 1.00 0.00 C ATOM 1059 O ASP A 65 9.691 -0.079 15.007 1.00 0.00 O ATOM 1060 CB ASP A 65 7.107 -2.236 15.498 1.00 0.00 C ATOM 1061 CG ASP A 65 6.148 -2.815 16.521 1.00 0.00 C ATOM 1062 OD1 ASP A 65 5.242 -2.079 16.967 1.00 0.00 O ATOM 1063 OD2 ASP A 65 6.302 -4.002 16.874 1.00 0.00 O ATOM 0 H ASP A 65 7.089 -0.098 13.968 1.00 0.00 H new ATOM 0 HA ASP A 65 7.237 -0.602 16.880 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.620 -2.207 14.523 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.972 -2.892 15.403 1.00 0.00 H new ATOM 1068 N PRO A 66 9.780 -1.418 16.815 1.00 0.00 N ATOM 1069 CA PRO A 66 11.248 -1.406 16.911 1.00 0.00 C ATOM 1070 C PRO A 66 11.934 -1.920 15.648 1.00 0.00 C ATOM 1071 O PRO A 66 13.139 -1.741 15.473 1.00 0.00 O ATOM 1072 CB PRO A 66 11.545 -2.335 18.094 1.00 0.00 C ATOM 1073 CG PRO A 66 10.306 -3.141 18.270 1.00 0.00 C ATOM 1074 CD PRO A 66 9.177 -2.236 17.878 1.00 0.00 C ATOM 0 HA PRO A 66 11.626 -0.392 17.040 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.405 -2.973 17.889 1.00 0.00 H new ATOM 0 HB3 PRO A 66 11.777 -1.766 18.994 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.327 -4.034 17.645 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.200 -3.476 19.302 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.314 -2.796 17.519 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.836 -1.627 18.715 1.00 0.00 H new ATOM 1082 N LYS A 67 11.166 -2.555 14.765 1.00 0.00 N ATOM 1083 CA LYS A 67 11.715 -3.084 13.521 1.00 0.00 C ATOM 1084 C LYS A 67 12.372 -1.985 12.686 1.00 0.00 C ATOM 1085 O LYS A 67 13.094 -2.272 11.732 1.00 0.00 O ATOM 1086 CB LYS A 67 10.619 -3.769 12.704 1.00 0.00 C ATOM 1087 CG LYS A 67 11.154 -4.598 11.548 1.00 0.00 C ATOM 1088 CD LYS A 67 10.265 -4.486 10.321 1.00 0.00 C ATOM 1089 CE LYS A 67 10.827 -3.495 9.314 1.00 0.00 C ATOM 1090 NZ LYS A 67 12.191 -3.878 8.859 1.00 0.00 N ATOM 0 H LYS A 67 10.166 -2.715 14.888 1.00 0.00 H new ATOM 0 HA LYS A 67 12.480 -3.815 13.784 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.034 -4.412 13.362 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.940 -3.011 12.314 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.162 -4.268 11.299 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.227 -5.642 11.851 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.165 -5.465 9.852 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.265 -4.173 10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.161 -3.435 8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.859 -2.502 9.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.339 -3.544 7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.900 -3.445 9.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.289 -4.913 8.888 1.00 0.00 H new ATOM 1104 N PHE A 68 12.123 -0.726 13.046 1.00 0.00 N ATOM 1105 CA PHE A 68 12.701 0.402 12.319 1.00 0.00 C ATOM 1106 C PHE A 68 14.059 0.802 12.895 1.00 0.00 C ATOM 1107 O PHE A 68 14.496 1.941 12.735 1.00 0.00 O ATOM 1108 CB PHE A 68 11.751 1.606 12.338 1.00 0.00 C ATOM 1109 CG PHE A 68 11.112 1.879 13.675 1.00 0.00 C ATOM 1110 CD1 PHE A 68 11.808 1.675 14.859 1.00 0.00 C ATOM 1111 CD2 PHE A 68 9.811 2.351 13.744 1.00 0.00 C ATOM 1112 CE1 PHE A 68 11.216 1.935 16.080 1.00 0.00 C ATOM 1113 CE2 PHE A 68 9.215 2.612 14.964 1.00 0.00 C ATOM 1114 CZ PHE A 68 9.919 2.404 16.133 1.00 0.00 C ATOM 0 H PHE A 68 11.528 -0.463 13.832 1.00 0.00 H new ATOM 0 HA PHE A 68 12.848 0.082 11.287 1.00 0.00 H new ATOM 0 HB2 PHE A 68 12.303 2.493 12.026 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.965 1.444 11.601 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.824 1.309 14.825 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.255 2.517 12.833 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.768 1.771 16.993 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.200 2.978 15.002 1.00 0.00 H new ATOM 0 HZ PHE A 68 9.456 2.608 17.087 1.00 0.00 H new ATOM 1124 N GLU A 69 14.720 -0.139 13.566 1.00 0.00 N ATOM 1125 CA GLU A 69 16.027 0.115 14.168 1.00 0.00 C ATOM 1126 C GLU A 69 15.892 0.959 15.430 1.00 0.00 C ATOM 1127 O GLU A 69 15.508 2.127 15.372 1.00 0.00 O ATOM 1128 CB GLU A 69 16.957 0.813 13.170 1.00 0.00 C ATOM 1129 CG GLU A 69 16.884 0.237 11.765 1.00 0.00 C ATOM 1130 CD GLU A 69 16.261 1.199 10.770 1.00 0.00 C ATOM 1131 OE1 GLU A 69 16.419 2.424 10.951 1.00 0.00 O ATOM 1132 OE2 GLU A 69 15.618 0.726 9.810 1.00 0.00 O ATOM 0 H GLU A 69 14.371 -1.087 13.707 1.00 0.00 H new ATOM 0 HA GLU A 69 16.460 -0.848 14.439 1.00 0.00 H new ATOM 0 HB2 GLU A 69 16.706 1.873 13.133 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.983 0.741 13.530 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.888 -0.025 11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.304 -0.686 11.784 1.00 0.00 H new ATOM 1139 N VAL A 70 16.211 0.356 16.572 1.00 0.00 N ATOM 1140 CA VAL A 70 16.127 1.048 17.853 1.00 0.00 C ATOM 1141 C VAL A 70 16.578 0.140 18.993 1.00 0.00 C ATOM 1142 O VAL A 70 17.248 0.581 19.926 1.00 0.00 O ATOM 1143 CB VAL A 70 14.695 1.543 18.133 1.00 0.00 C ATOM 1144 CG1 VAL A 70 13.726 0.372 18.212 1.00 0.00 C ATOM 1145 CG2 VAL A 70 14.653 2.367 19.412 1.00 0.00 C ATOM 0 H VAL A 70 16.530 -0.611 16.636 1.00 0.00 H new ATOM 0 HA VAL A 70 16.791 1.910 17.795 1.00 0.00 H new ATOM 0 HB VAL A 70 14.386 2.182 17.306 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.721 0.744 18.410 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.732 -0.170 17.266 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.030 -0.298 19.016 1.00 0.00 H new ATOM 0 HG21 VAL A 70 13.633 2.707 19.592 1.00 0.00 H new ATOM 0 HG22 VAL A 70 14.985 1.755 20.250 1.00 0.00 H new ATOM 0 HG23 VAL A 70 15.311 3.230 19.311 1.00 0.00 H new ATOM 1155 N VAL A 71 16.204 -1.133 18.910 1.00 0.00 N ATOM 1156 CA VAL A 71 16.567 -2.107 19.932 1.00 0.00 C ATOM 1157 C VAL A 71 16.411 -3.533 19.409 1.00 0.00 C ATOM 1158 O VAL A 71 15.854 -4.398 20.084 1.00 0.00 O ATOM 1159 CB VAL A 71 15.712 -1.932 21.204 1.00 0.00 C ATOM 1160 CG1 VAL A 71 14.241 -2.185 20.903 1.00 0.00 C ATOM 1161 CG2 VAL A 71 16.206 -2.850 22.313 1.00 0.00 C ATOM 0 H VAL A 71 15.649 -1.514 18.144 1.00 0.00 H new ATOM 0 HA VAL A 71 17.613 -1.931 20.185 1.00 0.00 H new ATOM 0 HB VAL A 71 15.814 -0.902 21.547 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.656 -2.056 21.814 1.00 0.00 H new ATOM 0 HG12 VAL A 71 13.897 -1.478 20.148 1.00 0.00 H new ATOM 0 HG13 VAL A 71 14.115 -3.202 20.532 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.590 -2.711 23.201 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.140 -3.887 21.984 1.00 0.00 H new ATOM 0 HG23 VAL A 71 17.243 -2.610 22.549 1.00 0.00 H new ATOM 1171 N GLU A 72 16.906 -3.768 18.197 1.00 0.00 N ATOM 1172 CA GLU A 72 16.822 -5.087 17.579 1.00 0.00 C ATOM 1173 C GLU A 72 17.719 -6.088 18.300 1.00 0.00 C ATOM 1174 O GLU A 72 17.451 -7.289 18.297 1.00 0.00 O ATOM 1175 CB GLU A 72 17.212 -5.005 16.102 1.00 0.00 C ATOM 1176 CG GLU A 72 16.085 -4.528 15.200 1.00 0.00 C ATOM 1177 CD GLU A 72 16.564 -3.572 14.126 1.00 0.00 C ATOM 1178 OE1 GLU A 72 17.777 -3.575 13.827 1.00 0.00 O ATOM 1179 OE2 GLU A 72 15.727 -2.821 13.584 1.00 0.00 O ATOM 0 H GLU A 72 17.369 -3.063 17.624 1.00 0.00 H new ATOM 0 HA GLU A 72 15.791 -5.432 17.658 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.061 -4.330 15.996 1.00 0.00 H new ATOM 0 HB3 GLU A 72 17.543 -5.988 15.767 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.612 -5.390 14.729 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.323 -4.037 15.805 1.00 0.00 H new ATOM 1186 N LYS A 73 18.787 -5.587 18.916 1.00 0.00 N ATOM 1187 CA LYS A 73 19.726 -6.440 19.641 1.00 0.00 C ATOM 1188 C LYS A 73 18.996 -7.338 20.640 1.00 0.00 C ATOM 1189 O LYS A 73 18.521 -6.869 21.674 1.00 0.00 O ATOM 1190 CB LYS A 73 20.759 -5.582 20.374 1.00 0.00 C ATOM 1191 CG LYS A 73 20.154 -4.668 21.426 1.00 0.00 C ATOM 1192 CD LYS A 73 21.030 -3.452 21.679 1.00 0.00 C ATOM 1193 CE LYS A 73 20.458 -2.571 22.777 1.00 0.00 C ATOM 1194 NZ LYS A 73 21.477 -1.635 23.327 1.00 0.00 N ATOM 0 H LYS A 73 19.024 -4.595 18.928 1.00 0.00 H new ATOM 0 HA LYS A 73 20.233 -7.076 18.915 1.00 0.00 H new ATOM 0 HB2 LYS A 73 21.490 -6.236 20.850 1.00 0.00 H new ATOM 0 HB3 LYS A 73 21.299 -4.977 19.646 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.165 -4.344 21.102 1.00 0.00 H new ATOM 0 HG3 LYS A 73 20.020 -5.221 22.356 1.00 0.00 H new ATOM 0 HD2 LYS A 73 22.033 -3.776 21.957 1.00 0.00 H new ATOM 0 HD3 LYS A 73 21.125 -2.874 20.760 1.00 0.00 H new ATOM 0 HE2 LYS A 73 19.617 -2.001 22.383 1.00 0.00 H new ATOM 0 HE3 LYS A 73 20.070 -3.198 23.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 21.046 -1.052 24.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 22.268 -2.179 23.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 21.829 -1.019 22.567 1.00 0.00 H new ATOM 1208 N PRO A 74 18.894 -8.649 20.345 1.00 0.00 N ATOM 1209 CA PRO A 74 18.217 -9.604 21.227 1.00 0.00 C ATOM 1210 C PRO A 74 19.022 -9.900 22.488 1.00 0.00 C ATOM 1211 O PRO A 74 19.997 -9.213 22.789 1.00 0.00 O ATOM 1212 CB PRO A 74 18.097 -10.859 20.363 1.00 0.00 C ATOM 1213 CG PRO A 74 19.234 -10.767 19.407 1.00 0.00 C ATOM 1214 CD PRO A 74 19.430 -9.301 19.133 1.00 0.00 C ATOM 0 HA PRO A 74 17.261 -9.222 21.584 1.00 0.00 H new ATOM 0 HB2 PRO A 74 18.160 -11.764 20.967 1.00 0.00 H new ATOM 0 HB3 PRO A 74 17.141 -10.890 19.840 1.00 0.00 H new ATOM 0 HG2 PRO A 74 20.136 -11.208 19.831 1.00 0.00 H new ATOM 0 HG3 PRO A 74 19.015 -11.310 18.487 1.00 0.00 H new ATOM 0 HD2 PRO A 74 20.481 -9.059 18.979 1.00 0.00 H new ATOM 0 HD3 PRO A 74 18.895 -8.985 18.237 1.00 0.00 H new ATOM 1222 N GLN A 75 18.605 -10.927 23.221 1.00 0.00 N ATOM 1223 CA GLN A 75 19.288 -11.315 24.450 1.00 0.00 C ATOM 1224 C GLN A 75 18.959 -12.757 24.823 1.00 0.00 C ATOM 1225 O GLN A 75 18.912 -13.109 26.001 1.00 0.00 O ATOM 1226 CB GLN A 75 18.897 -10.378 25.595 1.00 0.00 C ATOM 1227 CG GLN A 75 20.039 -10.074 26.551 1.00 0.00 C ATOM 1228 CD GLN A 75 20.688 -11.328 27.101 1.00 0.00 C ATOM 1229 OE1 GLN A 75 21.775 -11.718 26.674 1.00 0.00 O ATOM 1230 NE2 GLN A 75 20.022 -11.969 28.055 1.00 0.00 N ATOM 0 H GLN A 75 17.798 -11.505 22.986 1.00 0.00 H new ATOM 0 HA GLN A 75 20.362 -11.238 24.278 1.00 0.00 H new ATOM 0 HB2 GLN A 75 18.526 -9.442 25.177 1.00 0.00 H new ATOM 0 HB3 GLN A 75 18.075 -10.825 26.155 1.00 0.00 H new ATOM 0 HG2 GLN A 75 20.791 -9.477 26.035 1.00 0.00 H new ATOM 0 HG3 GLN A 75 19.665 -9.470 27.378 1.00 0.00 H new ATOM 0 HE21 GLN A 75 19.124 -11.610 28.379 1.00 0.00 H new ATOM 0 HE22 GLN A 75 20.409 -12.820 28.463 1.00 0.00 H new ATOM 1239 N SER A 76 18.731 -13.587 23.810 1.00 0.00 N ATOM 1240 CA SER A 76 18.407 -14.991 24.030 1.00 0.00 C ATOM 1241 C SER A 76 17.124 -15.132 24.845 1.00 0.00 C ATOM 1242 O SER A 76 16.607 -14.097 25.316 1.00 0.00 O ATOM 1243 CB SER A 76 19.559 -15.696 24.747 1.00 0.00 C ATOM 1244 OG SER A 76 20.509 -16.193 23.820 1.00 0.00 O ATOM 1245 OXT SER A 76 16.647 -16.275 25.004 1.00 0.00 O ATOM 0 H SER A 76 18.765 -13.311 22.829 1.00 0.00 H new ATOM 0 HA SER A 76 18.253 -15.459 23.058 1.00 0.00 H new ATOM 0 HB2 SER A 76 20.044 -15.001 25.433 1.00 0.00 H new ATOM 0 HB3 SER A 76 19.169 -16.517 25.348 1.00 0.00 H new ATOM 0 HG SER A 76 21.236 -16.638 24.304 1.00 0.00 H new TER 1251 SER A 76