USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 734 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 THR OG1 : rot 180:sc= -0.519 USER MOD Set 1.2: A 26 SER OG : rot -95:sc= -0.0892 USER MOD Set 2.1: A 2 LYS NZ :NH3+ -152:sc= 0.795 (180deg=-0.869!) USER MOD Set 2.2: A 106 TYR OH : rot 130:sc= -2.56! USER MOD Single : A 1 GLU N :NH3+ -151:sc= -0.293 (180deg=-0.583) USER MOD Single : A 9 SER OG : rot 140:sc= -0.413 USER MOD Single : A 11 GLN : amide:sc= -7.7! C(o=-7.7!,f=-12!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -9.97! C(o=-10!,f=-11!) USER MOD Single : A 18 ASN : amide:sc= -0.0938 X(o=-0.094,f=-0.041) USER MOD Single : A 28 GLN : amide:sc= -1.27 K(o=-1.3,f=-4.7!) USER MOD Single : A 31 THR OG1 : rot 90:sc= 1.01 USER MOD Single : A 32 SER OG : rot 41:sc= 0.997 USER MOD Single : A 38 SER OG : rot 82:sc= 0.675 USER MOD Single : A 39 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.036) USER MOD Single : A 48 LYS NZ :NH3+ -108:sc= -2.42! (180deg=-6.87!) USER MOD Single : A 53 GLN : amide:sc=-0.00887 X(o=-0.0089,f=0) USER MOD Single : A 55 SER OG : rot -29:sc= 0.499 USER MOD Single : A 60 MET CE :methyl 180:sc= -9.02! (180deg=-9.02!) USER MOD Single : A 61 GLN : amide:sc= -0.767! K(o=-0.77!,f=-2.1) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -3.1! C(o=-3.1!,f=-3.6!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -169:sc= -1.86 USER MOD Single : A 82 ASN :FLIP amide:sc= -4.95! C(o=-5.7!,f=-5!) USER MOD Single : A 86 SER OG : rot -153:sc= -4.95! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 67:sc= 1.09 USER MOD Single : A 105 HIS : no HD1:sc= -0.939 K(o=-0.94,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -6.447 -12.273 12.037 1.00 1.00 N ATOM 2 CA GLU A 1 -7.809 -11.831 12.278 1.00 1.00 C ATOM 3 C GLU A 1 -7.818 -10.628 13.226 1.00 1.00 C ATOM 4 O GLU A 1 -8.690 -9.766 13.131 1.00 1.00 O ATOM 5 CB GLU A 1 -8.666 -12.971 12.832 1.00 1.00 C ATOM 6 CG GLU A 1 -8.202 -13.374 14.233 1.00 1.00 C ATOM 7 CD GLU A 1 -9.274 -13.056 15.278 1.00 1.00 C ATOM 8 OE1 GLU A 1 -10.465 -13.123 14.907 1.00 1.00 O ATOM 9 OE2 GLU A 1 -8.877 -12.754 16.424 1.00 1.00 O ATOM 0 H1 GLU A 1 -6.384 -12.706 11.094 1.00 1.00 H new ATOM 0 H2 GLU A 1 -5.803 -11.458 12.087 1.00 1.00 H new ATOM 0 H3 GLU A 1 -6.176 -12.972 12.758 1.00 1.00 H new ATOM 0 HA GLU A 1 -8.243 -11.523 11.327 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -9.711 -12.662 12.866 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -8.609 -13.831 12.165 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -7.975 -14.440 14.252 1.00 1.00 H new ATOM 0 HG3 GLU A 1 -7.280 -12.847 14.480 1.00 1.00 H new ATOM 16 N LYS A 2 -6.839 -10.611 14.117 1.00 1.00 N ATOM 17 CA LYS A 2 -6.723 -9.529 15.080 1.00 1.00 C ATOM 18 C LYS A 2 -5.399 -8.794 14.857 1.00 1.00 C ATOM 19 O LYS A 2 -4.339 -9.284 15.241 1.00 1.00 O ATOM 20 CB LYS A 2 -6.898 -10.060 16.505 1.00 1.00 C ATOM 21 CG LYS A 2 -7.397 -8.958 17.442 1.00 1.00 C ATOM 22 CD LYS A 2 -6.229 -8.269 18.149 1.00 1.00 C ATOM 23 CE LYS A 2 -6.521 -6.784 18.371 1.00 1.00 C ATOM 24 NZ LYS A 2 -6.536 -6.060 17.080 1.00 1.00 N ATOM 0 H LYS A 2 -6.118 -11.329 14.193 1.00 1.00 H new ATOM 0 HA LYS A 2 -7.521 -8.801 14.934 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -7.605 -10.889 16.504 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -5.949 -10.451 16.871 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -7.967 -8.223 16.874 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -8.074 -9.384 18.182 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -6.042 -8.754 19.107 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -5.323 -8.380 17.554 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -7.482 -6.667 18.871 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -5.765 -6.353 19.028 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -6.262 -5.069 17.235 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -5.864 -6.507 16.424 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -7.493 -6.095 16.673 1.00 1.00 H new ATOM 38 N PRO A 3 -5.509 -7.597 14.220 1.00 1.00 N ATOM 39 CA PRO A 3 -4.334 -6.788 13.941 1.00 1.00 C ATOM 40 C PRO A 3 -3.824 -6.105 15.211 1.00 1.00 C ATOM 41 O PRO A 3 -4.062 -6.587 16.318 1.00 1.00 O ATOM 42 CB PRO A 3 -4.780 -5.802 12.874 1.00 1.00 C ATOM 43 CG PRO A 3 -6.299 -5.786 12.930 1.00 1.00 C ATOM 44 CD PRO A 3 -6.748 -6.984 13.751 1.00 1.00 C ATOM 0 HA PRO A 3 -3.489 -7.380 13.589 1.00 1.00 H new ATOM 0 HB2 PRO A 3 -4.372 -4.809 13.064 1.00 1.00 H new ATOM 0 HB3 PRO A 3 -4.429 -6.108 11.888 1.00 1.00 H new ATOM 0 HG2 PRO A 3 -6.655 -4.859 13.381 1.00 1.00 H new ATOM 0 HG3 PRO A 3 -6.719 -5.833 11.925 1.00 1.00 H new ATOM 0 HD2 PRO A 3 -7.379 -6.678 14.585 1.00 1.00 H new ATOM 0 HD3 PRO A 3 -7.331 -7.681 13.149 1.00 1.00 H new ATOM 52 N ALA A 4 -3.133 -4.993 15.010 1.00 1.00 N ATOM 53 CA ALA A 4 -2.588 -4.238 16.125 1.00 1.00 C ATOM 54 C ALA A 4 -3.531 -3.083 16.465 1.00 1.00 C ATOM 55 O ALA A 4 -4.749 -3.255 16.478 1.00 1.00 O ATOM 56 CB ALA A 4 -1.178 -3.757 15.776 1.00 1.00 C ATOM 0 H ALA A 4 -2.938 -4.596 14.091 1.00 1.00 H new ATOM 0 HA ALA A 4 -2.507 -4.868 17.011 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -0.769 -3.191 16.613 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -0.540 -4.617 15.574 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -1.219 -3.120 14.892 1.00 1.00 H new ATOM 62 N ALA A 5 -2.933 -1.931 16.729 1.00 1.00 N ATOM 63 CA ALA A 5 -3.705 -0.747 17.067 1.00 1.00 C ATOM 64 C ALA A 5 -3.174 0.447 16.271 1.00 1.00 C ATOM 65 O ALA A 5 -3.950 1.223 15.716 1.00 1.00 O ATOM 66 CB ALA A 5 -3.648 -0.514 18.578 1.00 1.00 C ATOM 0 H ALA A 5 -1.923 -1.792 16.716 1.00 1.00 H new ATOM 0 HA ALA A 5 -4.753 -0.882 16.798 1.00 1.00 H new ATOM 0 HB1 ALA A 5 -4.227 0.374 18.831 1.00 1.00 H new ATOM 0 HB2 ALA A 5 -4.064 -1.378 19.095 1.00 1.00 H new ATOM 0 HB3 ALA A 5 -2.612 -0.371 18.885 1.00 1.00 H new ATOM 72 N CYS A 6 -1.854 0.558 16.242 1.00 1.00 N ATOM 73 CA CYS A 6 -1.210 1.644 15.524 1.00 1.00 C ATOM 74 C CYS A 6 -1.837 1.740 14.132 1.00 1.00 C ATOM 75 O CYS A 6 -1.986 2.833 13.587 1.00 1.00 O ATOM 76 CB CYS A 6 0.307 1.454 15.453 1.00 1.00 C ATOM 77 SG CYS A 6 1.170 1.561 17.065 1.00 1.00 S ATOM 0 H CYS A 6 -1.213 -0.087 16.704 1.00 1.00 H new ATOM 0 HA CYS A 6 -1.370 2.580 16.059 1.00 1.00 H new ATOM 0 HB2 CYS A 6 0.517 0.481 15.008 1.00 1.00 H new ATOM 0 HB3 CYS A 6 0.723 2.207 14.783 1.00 1.00 H new ATOM 82 N ARG A 7 -2.190 0.580 13.596 1.00 1.00 N ATOM 83 CA ARG A 7 -2.800 0.519 12.278 1.00 1.00 C ATOM 84 C ARG A 7 -4.315 0.691 12.385 1.00 1.00 C ATOM 85 O ARG A 7 -5.061 0.202 11.538 1.00 1.00 O ATOM 86 CB ARG A 7 -2.491 -0.813 11.590 1.00 1.00 C ATOM 87 CG ARG A 7 -2.560 -1.973 12.585 1.00 1.00 C ATOM 88 CD ARG A 7 -1.271 -2.795 12.561 1.00 1.00 C ATOM 89 NE ARG A 7 -0.227 -2.122 13.366 1.00 1.00 N ATOM 90 CZ ARG A 7 0.823 -2.752 13.912 1.00 1.00 C ATOM 91 NH1 ARG A 7 0.973 -4.073 13.745 1.00 1.00 N ATOM 92 NH2 ARG A 7 1.721 -2.060 14.626 1.00 1.00 N ATOM 0 H ARG A 7 -2.065 -0.325 14.050 1.00 1.00 H new ATOM 0 HA ARG A 7 -2.381 1.329 11.681 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -3.201 -0.981 10.780 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -1.499 -0.773 11.141 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -2.729 -1.585 13.590 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -3.408 -2.614 12.344 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -1.459 -3.793 12.956 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -0.927 -2.918 11.534 1.00 1.00 H new ATOM 0 HE ARG A 7 -0.312 -1.116 13.515 1.00 1.00 H new ATOM 0 HH11 ARG A 7 0.288 -4.599 13.202 1.00 1.00 H new ATOM 0 HH12 ARG A 7 1.772 -4.552 14.160 1.00 1.00 H new ATOM 0 HH21 ARG A 7 1.606 -1.055 14.754 1.00 1.00 H new ATOM 0 HH22 ARG A 7 2.520 -2.539 15.042 1.00 1.00 H new ATOM 106 N CYS A 8 -4.727 1.387 13.436 1.00 1.00 N ATOM 107 CA CYS A 8 -6.141 1.629 13.664 1.00 1.00 C ATOM 108 C CYS A 8 -6.288 2.968 14.390 1.00 1.00 C ATOM 109 O CYS A 8 -7.066 3.823 13.972 1.00 1.00 O ATOM 110 CB CYS A 8 -6.793 0.484 14.443 1.00 1.00 C ATOM 111 SG CYS A 8 -6.073 -1.168 14.123 1.00 1.00 S ATOM 0 H CYS A 8 -4.106 1.790 14.138 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.663 1.675 12.708 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -6.716 0.698 15.509 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -7.855 0.456 14.199 1.00 1.00 H new ATOM 116 N SER A 9 -5.527 3.108 15.466 1.00 1.00 N ATOM 117 CA SER A 9 -5.562 4.328 16.253 1.00 1.00 C ATOM 118 C SER A 9 -4.550 5.335 15.705 1.00 1.00 C ATOM 119 O SER A 9 -4.118 6.239 16.418 1.00 1.00 O ATOM 120 CB SER A 9 -5.276 4.041 17.729 1.00 1.00 C ATOM 121 OG SER A 9 -3.880 4.047 18.014 1.00 1.00 O ATOM 0 H SER A 9 -4.883 2.396 15.811 1.00 1.00 H new ATOM 0 HA SER A 9 -6.564 4.752 16.179 1.00 1.00 H new ATOM 0 HB2 SER A 9 -5.775 4.788 18.347 1.00 1.00 H new ATOM 0 HB3 SER A 9 -5.697 3.072 17.998 1.00 1.00 H new ATOM 0 HG SER A 9 -3.724 4.487 18.876 1.00 1.00 H new ATOM 127 N ARG A 10 -4.201 5.146 14.441 1.00 1.00 N ATOM 128 CA ARG A 10 -3.247 6.026 13.787 1.00 1.00 C ATOM 129 C ARG A 10 -3.425 5.967 12.268 1.00 1.00 C ATOM 130 O ARG A 10 -2.495 6.260 11.519 1.00 1.00 O ATOM 131 CB ARG A 10 -1.809 5.640 14.141 1.00 1.00 C ATOM 132 CG ARG A 10 -0.984 6.877 14.506 1.00 1.00 C ATOM 133 CD ARG A 10 -1.294 7.340 15.931 1.00 1.00 C ATOM 134 NE ARG A 10 -2.492 8.208 15.932 1.00 1.00 N ATOM 135 CZ ARG A 10 -2.506 9.470 15.481 1.00 1.00 C ATOM 136 NH1 ARG A 10 -1.385 10.018 14.992 1.00 1.00 N ATOM 137 NH2 ARG A 10 -3.639 10.183 15.522 1.00 1.00 N ATOM 0 H ARG A 10 -4.562 4.396 13.852 1.00 1.00 H new ATOM 0 HA ARG A 10 -3.436 7.040 14.139 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -1.812 4.940 14.977 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -1.348 5.127 13.297 1.00 1.00 H new ATOM 0 HG2 ARG A 10 0.078 6.650 14.416 1.00 1.00 H new ATOM 0 HG3 ARG A 10 -1.198 7.682 13.803 1.00 1.00 H new ATOM 0 HD2 ARG A 10 -1.460 6.476 16.575 1.00 1.00 H new ATOM 0 HD3 ARG A 10 -0.441 7.883 16.339 1.00 1.00 H new ATOM 0 HE ARG A 10 -3.362 7.822 16.299 1.00 1.00 H new ATOM 0 HH11 ARG A 10 -0.522 9.475 14.963 1.00 1.00 H new ATOM 0 HH12 ARG A 10 -1.395 10.978 14.648 1.00 1.00 H new ATOM 0 HH21 ARG A 10 -4.491 9.766 15.896 1.00 1.00 H new ATOM 0 HH22 ARG A 10 -3.650 11.143 15.179 1.00 1.00 H new ATOM 151 N GLN A 11 -4.627 5.589 11.860 1.00 1.00 N ATOM 152 CA GLN A 11 -4.939 5.488 10.444 1.00 1.00 C ATOM 153 C GLN A 11 -4.777 6.851 9.767 1.00 1.00 C ATOM 154 O GLN A 11 -3.857 7.602 10.087 1.00 1.00 O ATOM 155 CB GLN A 11 -6.349 4.936 10.231 1.00 1.00 C ATOM 156 CG GLN A 11 -6.518 3.581 10.923 1.00 1.00 C ATOM 157 CD GLN A 11 -7.206 2.575 9.998 1.00 1.00 C ATOM 158 OE1 GLN A 11 -8.021 2.922 9.160 1.00 1.00 O ATOM 159 NE2 GLN A 11 -6.836 1.314 10.199 1.00 1.00 N ATOM 0 H GLN A 11 -5.397 5.349 12.485 1.00 1.00 H new ATOM 0 HA GLN A 11 -4.238 4.790 9.987 1.00 1.00 H new ATOM 0 HB2 GLN A 11 -7.082 5.642 10.621 1.00 1.00 H new ATOM 0 HB3 GLN A 11 -6.545 4.830 9.164 1.00 1.00 H new ATOM 0 HG2 GLN A 11 -5.543 3.197 11.222 1.00 1.00 H new ATOM 0 HG3 GLN A 11 -7.105 3.704 11.833 1.00 1.00 H new ATOM 0 HE21 GLN A 11 -6.148 1.093 10.919 1.00 1.00 H new ATOM 0 HE22 GLN A 11 -7.240 0.568 9.634 1.00 1.00 H new ATOM 168 N ASP A 12 -5.685 7.129 8.843 1.00 1.00 N ATOM 169 CA ASP A 12 -5.654 8.388 8.118 1.00 1.00 C ATOM 170 C ASP A 12 -6.659 9.357 8.744 1.00 1.00 C ATOM 171 O ASP A 12 -7.705 8.938 9.240 1.00 1.00 O ATOM 172 CB ASP A 12 -6.040 8.189 6.651 1.00 1.00 C ATOM 173 CG ASP A 12 -6.215 9.479 5.847 1.00 1.00 C ATOM 174 OD1 ASP A 12 -7.171 10.219 6.163 1.00 1.00 O ATOM 175 OD2 ASP A 12 -5.388 9.695 4.934 1.00 1.00 O ATOM 0 H ASP A 12 -6.447 6.504 8.580 1.00 1.00 H new ATOM 0 HA ASP A 12 -4.640 8.784 8.173 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -5.275 7.580 6.169 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -6.971 7.624 6.609 1.00 1.00 H new ATOM 180 N PRO A 13 -6.299 10.667 8.699 1.00 1.00 N ATOM 181 CA PRO A 13 -7.156 11.699 9.256 1.00 1.00 C ATOM 182 C PRO A 13 -8.358 11.963 8.347 1.00 1.00 C ATOM 183 O PRO A 13 -8.463 13.031 7.745 1.00 1.00 O ATOM 184 CB PRO A 13 -6.257 12.913 9.420 1.00 1.00 C ATOM 185 CG PRO A 13 -5.055 12.666 8.523 1.00 1.00 C ATOM 186 CD PRO A 13 -5.069 11.200 8.120 1.00 1.00 C ATOM 0 HA PRO A 13 -7.592 11.412 10.213 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -6.778 13.826 9.132 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -5.951 13.035 10.459 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -5.099 13.305 7.641 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -4.131 12.909 9.047 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -5.061 11.087 7.036 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -4.193 10.676 8.502 1.00 1.00 H new ATOM 194 N LYS A 14 -9.233 10.971 8.273 1.00 1.00 N ATOM 195 CA LYS A 14 -10.424 11.083 7.447 1.00 1.00 C ATOM 196 C LYS A 14 -10.056 10.796 5.989 1.00 1.00 C ATOM 197 O LYS A 14 -9.508 11.656 5.302 1.00 1.00 O ATOM 198 CB LYS A 14 -11.095 12.442 7.655 1.00 1.00 C ATOM 199 CG LYS A 14 -11.163 12.798 9.141 1.00 1.00 C ATOM 200 CD LYS A 14 -12.117 13.969 9.381 1.00 1.00 C ATOM 201 CE LYS A 14 -11.621 14.855 10.525 1.00 1.00 C ATOM 202 NZ LYS A 14 -12.329 16.154 10.520 1.00 1.00 N ATOM 0 H LYS A 14 -9.141 10.086 8.771 1.00 1.00 H new ATOM 0 HA LYS A 14 -11.164 10.340 7.743 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.540 13.211 7.118 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -12.101 12.423 7.236 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -11.495 11.931 9.712 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -10.168 13.055 9.503 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -12.207 14.561 8.471 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -13.112 13.590 9.615 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -11.781 14.351 11.478 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -10.548 15.019 10.427 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -11.980 16.743 11.303 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -12.156 16.640 9.617 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -13.350 15.993 10.636 1.00 1.00 H new ATOM 216 N ASN A 15 -10.372 9.582 5.561 1.00 1.00 N ATOM 217 CA ASN A 15 -10.081 9.170 4.198 1.00 1.00 C ATOM 218 C ASN A 15 -11.376 8.719 3.519 1.00 1.00 C ATOM 219 O ASN A 15 -11.495 8.787 2.297 1.00 1.00 O ATOM 220 CB ASN A 15 -9.101 7.996 4.174 1.00 1.00 C ATOM 221 CG ASN A 15 -7.681 8.472 3.861 1.00 1.00 C ATOM 222 OD1 ASN A 15 -7.443 9.621 3.528 1.00 1.00 O ATOM 223 ND2 ASN A 15 -6.754 7.526 3.983 1.00 1.00 N ATOM 0 H ASN A 15 -10.826 8.871 6.134 1.00 1.00 H new ATOM 0 HA ASN A 15 -9.639 10.019 3.677 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -9.114 7.488 5.138 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -9.418 7.269 3.426 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -5.776 7.743 3.794 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -7.022 6.583 4.266 1.00 1.00 H new ATOM 230 N ARG A 16 -12.312 8.270 4.341 1.00 1.00 N ATOM 231 CA ARG A 16 -13.593 7.809 3.836 1.00 1.00 C ATOM 232 C ARG A 16 -13.531 6.314 3.516 1.00 1.00 C ATOM 233 O ARG A 16 -14.260 5.829 2.653 1.00 1.00 O ATOM 234 CB ARG A 16 -13.997 8.576 2.575 1.00 1.00 C ATOM 235 CG ARG A 16 -13.722 10.073 2.732 1.00 1.00 C ATOM 236 CD ARG A 16 -14.983 10.894 2.458 1.00 1.00 C ATOM 237 NE ARG A 16 -15.116 11.971 3.465 1.00 1.00 N ATOM 238 CZ ARG A 16 -14.228 12.962 3.628 1.00 1.00 C ATOM 239 NH1 ARG A 16 -13.138 13.019 2.850 1.00 1.00 N ATOM 240 NH2 ARG A 16 -14.430 13.896 4.566 1.00 1.00 N ATOM 0 H ARG A 16 -12.209 8.216 5.354 1.00 1.00 H new ATOM 0 HA ARG A 16 -14.338 7.988 4.611 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -13.446 8.189 1.718 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -15.056 8.417 2.372 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -13.363 10.277 3.741 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -12.931 10.375 2.046 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -14.936 11.324 1.458 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -15.861 10.248 2.487 1.00 1.00 H new ATOM 0 HE ARG A 16 -15.935 11.958 4.073 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -12.985 12.309 2.134 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -12.462 13.773 2.974 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -15.260 13.854 5.157 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -13.754 14.650 4.689 1.00 1.00 H new ATOM 254 N VAL A 17 -12.653 5.625 4.230 1.00 1.00 N ATOM 255 CA VAL A 17 -12.485 4.195 4.034 1.00 1.00 C ATOM 256 C VAL A 17 -13.179 3.443 5.171 1.00 1.00 C ATOM 257 O VAL A 17 -13.022 3.797 6.339 1.00 1.00 O ATOM 258 CB VAL A 17 -10.998 3.854 3.910 1.00 1.00 C ATOM 259 CG1 VAL A 17 -10.787 2.650 2.990 1.00 1.00 C ATOM 260 CG2 VAL A 17 -10.198 5.064 3.424 1.00 1.00 C ATOM 0 H VAL A 17 -12.050 6.031 4.946 1.00 1.00 H new ATOM 0 HA VAL A 17 -12.955 3.880 3.102 1.00 1.00 H new ATOM 0 HB VAL A 17 -10.631 3.586 4.901 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -9.722 2.429 2.919 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -11.311 1.785 3.397 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -11.177 2.877 1.998 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -9.145 4.796 3.344 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -10.568 5.376 2.447 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -10.311 5.884 4.134 1.00 1.00 H new ATOM 270 N ASN A 18 -13.930 2.421 4.791 1.00 1.00 N ATOM 271 CA ASN A 18 -14.648 1.616 5.765 1.00 1.00 C ATOM 272 C ASN A 18 -14.351 0.136 5.516 1.00 1.00 C ATOM 273 O ASN A 18 -14.138 -0.275 4.376 1.00 1.00 O ATOM 274 CB ASN A 18 -16.159 1.822 5.643 1.00 1.00 C ATOM 275 CG ASN A 18 -16.641 1.521 4.222 1.00 1.00 C ATOM 276 OD1 ASN A 18 -17.051 0.417 3.899 1.00 1.00 O ATOM 277 ND2 ASN A 18 -16.568 2.559 3.395 1.00 1.00 N ATOM 0 H ASN A 18 -14.057 2.131 3.821 1.00 1.00 H new ATOM 0 HA ASN A 18 -14.322 1.920 6.760 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -16.676 1.174 6.351 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -16.412 2.849 5.907 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -16.865 2.460 2.424 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -16.215 3.455 3.731 1.00 1.00 H new ATOM 284 N CYS A 19 -14.344 -0.624 6.601 1.00 1.00 N ATOM 285 CA CYS A 19 -14.076 -2.050 6.515 1.00 1.00 C ATOM 286 C CYS A 19 -15.025 -2.775 7.473 1.00 1.00 C ATOM 287 O CYS A 19 -14.611 -3.686 8.187 1.00 1.00 O ATOM 288 CB CYS A 19 -12.610 -2.369 6.812 1.00 1.00 C ATOM 289 SG CYS A 19 -12.116 -4.096 6.468 1.00 1.00 S ATOM 0 H CYS A 19 -14.520 -0.279 7.545 1.00 1.00 H new ATOM 0 HA CYS A 19 -14.255 -2.396 5.497 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -11.981 -1.702 6.223 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -12.411 -2.151 7.861 1.00 1.00 H new ATOM 294 N GLY A 20 -16.277 -2.344 7.455 1.00 1.00 N ATOM 295 CA GLY A 20 -17.286 -2.941 8.312 1.00 1.00 C ATOM 296 C GLY A 20 -18.687 -2.460 7.927 1.00 1.00 C ATOM 297 O GLY A 20 -18.990 -2.302 6.745 1.00 1.00 O ATOM 0 H GLY A 20 -16.616 -1.588 6.860 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -17.237 -4.027 8.236 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -17.083 -2.685 9.352 1.00 1.00 H new ATOM 301 N PHE A 21 -19.504 -2.242 8.946 1.00 1.00 N ATOM 302 CA PHE A 21 -20.866 -1.782 8.729 1.00 1.00 C ATOM 303 C PHE A 21 -21.246 -0.697 9.739 1.00 1.00 C ATOM 304 O PHE A 21 -20.623 -0.579 10.793 1.00 1.00 O ATOM 305 CB PHE A 21 -21.782 -2.991 8.928 1.00 1.00 C ATOM 306 CG PHE A 21 -21.721 -3.594 10.333 1.00 1.00 C ATOM 307 CD1 PHE A 21 -22.536 -3.119 11.313 1.00 1.00 C ATOM 308 CD2 PHE A 21 -20.851 -4.604 10.603 1.00 1.00 C ATOM 309 CE1 PHE A 21 -22.480 -3.679 12.617 1.00 1.00 C ATOM 310 CE2 PHE A 21 -20.795 -5.164 11.906 1.00 1.00 C ATOM 311 CZ PHE A 21 -21.610 -4.689 12.887 1.00 1.00 C ATOM 0 H PHE A 21 -19.250 -2.375 9.925 1.00 1.00 H new ATOM 0 HA PHE A 21 -20.962 -1.359 7.729 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -22.809 -2.694 8.715 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -21.515 -3.759 8.202 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -23.226 -2.316 11.099 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -20.202 -4.980 9.826 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -23.128 -3.303 13.394 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -20.105 -5.967 12.119 1.00 1.00 H new ATOM 0 HZ PHE A 21 -21.566 -5.114 13.879 1.00 1.00 H new ATOM 321 N PRO A 22 -22.293 0.088 9.372 1.00 1.00 N ATOM 322 CA PRO A 22 -22.764 1.159 10.233 1.00 1.00 C ATOM 323 C PRO A 22 -23.552 0.603 11.419 1.00 1.00 C ATOM 324 O PRO A 22 -24.665 0.104 11.251 1.00 1.00 O ATOM 325 CB PRO A 22 -23.600 2.052 9.330 1.00 1.00 C ATOM 326 CG PRO A 22 -23.949 1.206 8.117 1.00 1.00 C ATOM 327 CD PRO A 22 -23.055 -0.023 8.131 1.00 1.00 C ATOM 0 HA PRO A 22 -21.949 1.724 10.685 1.00 1.00 H new ATOM 0 HB2 PRO A 22 -24.501 2.392 9.842 1.00 1.00 H new ATOM 0 HB3 PRO A 22 -23.044 2.943 9.038 1.00 1.00 H new ATOM 0 HG2 PRO A 22 -24.999 0.914 8.145 1.00 1.00 H new ATOM 0 HG3 PRO A 22 -23.800 1.775 7.199 1.00 1.00 H new ATOM 0 HD2 PRO A 22 -23.643 -0.941 8.108 1.00 1.00 H new ATOM 0 HD3 PRO A 22 -22.397 -0.044 7.262 1.00 1.00 H new ATOM 335 N GLY A 23 -22.947 0.706 12.593 1.00 1.00 N ATOM 336 CA GLY A 23 -23.578 0.218 13.807 1.00 1.00 C ATOM 337 C GLY A 23 -22.715 -0.848 14.484 1.00 1.00 C ATOM 338 O GLY A 23 -23.116 -1.427 15.493 1.00 1.00 O ATOM 0 H GLY A 23 -22.025 1.121 12.729 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -23.743 1.048 14.494 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -24.557 -0.198 13.570 1.00 1.00 H new ATOM 342 N ILE A 24 -21.546 -1.074 13.904 1.00 1.00 N ATOM 343 CA ILE A 24 -20.623 -2.060 14.439 1.00 1.00 C ATOM 344 C ILE A 24 -20.209 -1.650 15.854 1.00 1.00 C ATOM 345 O ILE A 24 -20.448 -0.518 16.270 1.00 1.00 O ATOM 346 CB ILE A 24 -19.442 -2.261 13.487 1.00 1.00 C ATOM 347 CG1 ILE A 24 -18.572 -3.437 13.933 1.00 1.00 C ATOM 348 CG2 ILE A 24 -18.632 -0.972 13.338 1.00 1.00 C ATOM 349 CD1 ILE A 24 -17.824 -4.049 12.746 1.00 1.00 C ATOM 0 H ILE A 24 -21.217 -0.591 13.068 1.00 1.00 H new ATOM 0 HA ILE A 24 -21.109 -3.033 14.517 1.00 1.00 H new ATOM 0 HB ILE A 24 -19.836 -2.509 12.501 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -17.857 -3.100 14.683 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -19.195 -4.196 14.405 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -17.799 -1.143 12.656 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -19.272 -0.184 12.940 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -18.248 -0.669 14.312 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -17.213 -4.883 13.092 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -18.542 -4.407 12.008 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -17.183 -3.294 12.291 1.00 1.00 H new ATOM 361 N THR A 25 -19.594 -2.593 16.552 1.00 1.00 N ATOM 362 CA THR A 25 -19.145 -2.344 17.912 1.00 1.00 C ATOM 363 C THR A 25 -17.621 -2.217 17.955 1.00 1.00 C ATOM 364 O THR A 25 -17.091 -1.234 18.472 1.00 1.00 O ATOM 365 CB THR A 25 -19.686 -3.465 18.802 1.00 1.00 C ATOM 366 OG1 THR A 25 -18.837 -4.573 18.520 1.00 1.00 O ATOM 367 CG2 THR A 25 -21.074 -3.939 18.367 1.00 1.00 C ATOM 0 H THR A 25 -19.396 -3.530 16.202 1.00 1.00 H new ATOM 0 HA THR A 25 -19.530 -1.396 18.288 1.00 1.00 H new ATOM 0 HB THR A 25 -19.727 -3.120 19.835 1.00 1.00 H new ATOM 0 HG1 THR A 25 -19.116 -5.344 19.057 1.00 1.00 H new ATOM 0 HG21 THR A 25 -21.411 -4.735 19.031 1.00 1.00 H new ATOM 0 HG22 THR A 25 -21.775 -3.105 18.414 1.00 1.00 H new ATOM 0 HG23 THR A 25 -21.026 -4.315 17.345 1.00 1.00 H new ATOM 375 N SER A 26 -16.959 -3.224 17.404 1.00 1.00 N ATOM 376 CA SER A 26 -15.506 -3.237 17.372 1.00 1.00 C ATOM 377 C SER A 26 -14.999 -4.675 17.253 1.00 1.00 C ATOM 378 O SER A 26 -14.435 -5.055 16.228 1.00 1.00 O ATOM 379 CB SER A 26 -14.923 -2.569 18.620 1.00 1.00 C ATOM 380 OG SER A 26 -15.669 -2.883 19.792 1.00 1.00 O ATOM 0 H SER A 26 -17.402 -4.037 16.976 1.00 1.00 H new ATOM 0 HA SER A 26 -15.177 -2.670 16.502 1.00 1.00 H new ATOM 0 HB2 SER A 26 -13.889 -2.888 18.752 1.00 1.00 H new ATOM 0 HB3 SER A 26 -14.908 -1.488 18.479 1.00 1.00 H new ATOM 0 HG SER A 26 -16.327 -2.176 19.960 1.00 1.00 H new ATOM 386 N ASP A 27 -15.216 -5.436 18.316 1.00 1.00 N ATOM 387 CA ASP A 27 -14.788 -6.824 18.343 1.00 1.00 C ATOM 388 C ASP A 27 -15.104 -7.478 16.996 1.00 1.00 C ATOM 389 O ASP A 27 -14.214 -8.014 16.339 1.00 1.00 O ATOM 390 CB ASP A 27 -15.524 -7.607 19.432 1.00 1.00 C ATOM 391 CG ASP A 27 -15.242 -7.144 20.863 1.00 1.00 C ATOM 392 OD1 ASP A 27 -15.909 -6.177 21.289 1.00 1.00 O ATOM 393 OD2 ASP A 27 -14.367 -7.770 21.499 1.00 1.00 O ATOM 0 H ASP A 27 -15.683 -5.117 19.165 1.00 1.00 H new ATOM 0 HA ASP A 27 -13.717 -6.842 18.547 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -16.596 -7.536 19.248 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -15.255 -8.660 19.347 1.00 1.00 H new ATOM 398 N GLN A 28 -16.374 -7.410 16.626 1.00 1.00 N ATOM 399 CA GLN A 28 -16.818 -7.989 15.369 1.00 1.00 C ATOM 400 C GLN A 28 -15.987 -7.438 14.208 1.00 1.00 C ATOM 401 O GLN A 28 -15.846 -8.092 13.176 1.00 1.00 O ATOM 402 CB GLN A 28 -18.310 -7.733 15.145 1.00 1.00 C ATOM 403 CG GLN A 28 -19.161 -8.606 16.070 1.00 1.00 C ATOM 404 CD GLN A 28 -19.070 -10.079 15.671 1.00 1.00 C ATOM 405 OE1 GLN A 28 -18.222 -10.488 14.893 1.00 1.00 O ATOM 406 NE2 GLN A 28 -19.988 -10.852 16.244 1.00 1.00 N ATOM 0 H GLN A 28 -17.109 -6.963 17.174 1.00 1.00 H new ATOM 0 HA GLN A 28 -16.671 -9.068 15.416 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -18.533 -6.681 15.325 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -18.566 -7.940 14.106 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -18.827 -8.483 17.100 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -20.200 -8.279 16.031 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -20.669 -10.445 16.886 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -20.011 -11.851 16.042 1.00 1.00 H new ATOM 415 N CYS A 29 -15.458 -6.240 14.416 1.00 1.00 N ATOM 416 CA CYS A 29 -14.646 -5.595 13.400 1.00 1.00 C ATOM 417 C CYS A 29 -13.215 -6.124 13.522 1.00 1.00 C ATOM 418 O CYS A 29 -12.502 -6.228 12.525 1.00 1.00 O ATOM 419 CB CYS A 29 -14.703 -4.070 13.515 1.00 1.00 C ATOM 420 SG CYS A 29 -14.503 -3.173 11.932 1.00 1.00 S ATOM 0 H CYS A 29 -15.577 -5.700 15.273 1.00 1.00 H new ATOM 0 HA CYS A 29 -15.038 -5.834 12.411 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -15.658 -3.789 13.958 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -13.924 -3.742 14.203 1.00 1.00 H new ATOM 425 N PHE A 30 -12.839 -6.443 14.751 1.00 1.00 N ATOM 426 CA PHE A 30 -11.507 -6.958 15.016 1.00 1.00 C ATOM 427 C PHE A 30 -11.425 -8.454 14.703 1.00 1.00 C ATOM 428 O PHE A 30 -10.338 -9.029 14.682 1.00 1.00 O ATOM 429 CB PHE A 30 -11.232 -6.745 16.505 1.00 1.00 C ATOM 430 CG PHE A 30 -10.558 -5.410 16.830 1.00 1.00 C ATOM 431 CD1 PHE A 30 -11.041 -4.257 16.293 1.00 1.00 C ATOM 432 CD2 PHE A 30 -9.477 -5.375 17.653 1.00 1.00 C ATOM 433 CE1 PHE A 30 -10.416 -3.018 16.593 1.00 1.00 C ATOM 434 CE2 PHE A 30 -8.852 -4.137 17.953 1.00 1.00 C ATOM 435 CZ PHE A 30 -9.334 -2.984 17.417 1.00 1.00 C ATOM 0 H PHE A 30 -13.434 -6.355 15.575 1.00 1.00 H new ATOM 0 HA PHE A 30 -10.778 -6.443 14.390 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -12.174 -6.807 17.050 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -10.601 -7.556 16.867 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -11.900 -4.284 15.639 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -9.093 -6.290 18.079 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -10.799 -2.103 16.167 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -7.993 -4.110 18.607 1.00 1.00 H new ATOM 0 HZ PHE A 30 -8.858 -2.042 17.645 1.00 1.00 H new ATOM 445 N THR A 31 -12.590 -9.041 14.469 1.00 1.00 N ATOM 446 CA THR A 31 -12.664 -10.459 14.159 1.00 1.00 C ATOM 447 C THR A 31 -12.915 -10.665 12.664 1.00 1.00 C ATOM 448 O THR A 31 -12.829 -11.787 12.166 1.00 1.00 O ATOM 449 CB THR A 31 -13.741 -11.082 15.048 1.00 1.00 C ATOM 450 OG1 THR A 31 -13.620 -10.381 16.284 1.00 1.00 O ATOM 451 CG2 THR A 31 -13.433 -12.535 15.412 1.00 1.00 C ATOM 0 H THR A 31 -13.490 -8.561 14.488 1.00 1.00 H new ATOM 0 HA THR A 31 -11.719 -10.960 14.370 1.00 1.00 H new ATOM 0 HB THR A 31 -14.704 -11.032 14.539 1.00 1.00 H new ATOM 0 HG1 THR A 31 -14.205 -9.595 16.273 1.00 1.00 H new ATOM 0 HG21 THR A 31 -14.229 -12.928 16.044 1.00 1.00 H new ATOM 0 HG22 THR A 31 -13.364 -13.131 14.502 1.00 1.00 H new ATOM 0 HG23 THR A 31 -12.486 -12.582 15.950 1.00 1.00 H new ATOM 459 N SER A 32 -13.220 -9.566 11.991 1.00 1.00 N ATOM 460 CA SER A 32 -13.484 -9.613 10.563 1.00 1.00 C ATOM 461 C SER A 32 -12.215 -9.265 9.784 1.00 1.00 C ATOM 462 O SER A 32 -12.253 -9.107 8.565 1.00 1.00 O ATOM 463 CB SER A 32 -14.619 -8.659 10.182 1.00 1.00 C ATOM 464 OG SER A 32 -14.352 -7.974 8.960 1.00 1.00 O ATOM 0 H SER A 32 -13.290 -8.638 12.408 1.00 1.00 H new ATOM 0 HA SER A 32 -13.794 -10.626 10.306 1.00 1.00 H new ATOM 0 HB2 SER A 32 -15.548 -9.220 10.088 1.00 1.00 H new ATOM 0 HB3 SER A 32 -14.765 -7.932 10.981 1.00 1.00 H new ATOM 0 HG SER A 32 -13.955 -8.597 8.316 1.00 1.00 H new ATOM 470 N GLY A 33 -11.118 -9.157 10.520 1.00 1.00 N ATOM 471 CA GLY A 33 -9.838 -8.831 9.913 1.00 1.00 C ATOM 472 C GLY A 33 -9.725 -7.329 9.646 1.00 1.00 C ATOM 473 O GLY A 33 -8.850 -6.892 8.900 1.00 1.00 O ATOM 0 H GLY A 33 -11.089 -9.289 11.531 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -9.028 -9.149 10.570 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -9.724 -9.380 8.978 1.00 1.00 H new ATOM 477 N CYS A 34 -10.624 -6.579 10.268 1.00 1.00 N ATOM 478 CA CYS A 34 -10.637 -5.136 10.106 1.00 1.00 C ATOM 479 C CYS A 34 -10.317 -4.498 11.458 1.00 1.00 C ATOM 480 O CYS A 34 -10.058 -5.201 12.434 1.00 1.00 O ATOM 481 CB CYS A 34 -11.969 -4.641 9.541 1.00 1.00 C ATOM 482 SG CYS A 34 -12.425 -5.347 7.916 1.00 1.00 S ATOM 0 H CYS A 34 -11.349 -6.945 10.885 1.00 1.00 H new ATOM 0 HA CYS A 34 -9.880 -4.843 9.379 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -12.759 -4.872 10.256 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -11.928 -3.556 9.451 1.00 1.00 H new ATOM 487 N CYS A 35 -10.348 -3.174 11.475 1.00 1.00 N ATOM 488 CA CYS A 35 -10.065 -2.433 12.692 1.00 1.00 C ATOM 489 C CYS A 35 -11.295 -1.592 13.040 1.00 1.00 C ATOM 490 O CYS A 35 -12.260 -1.551 12.277 1.00 1.00 O ATOM 491 CB CYS A 35 -8.807 -1.574 12.553 1.00 1.00 C ATOM 492 SG CYS A 35 -7.257 -2.391 13.080 1.00 1.00 S ATOM 0 H CYS A 35 -10.565 -2.594 10.664 1.00 1.00 H new ATOM 0 HA CYS A 35 -9.861 -3.130 13.505 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -8.705 -1.270 11.511 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -8.939 -0.664 13.139 1.00 1.00 H new ATOM 497 N PHE A 36 -11.221 -0.941 14.192 1.00 1.00 N ATOM 498 CA PHE A 36 -12.317 -0.104 14.650 1.00 1.00 C ATOM 499 C PHE A 36 -11.802 1.047 15.517 1.00 1.00 C ATOM 500 O PHE A 36 -10.949 0.844 16.379 1.00 1.00 O ATOM 501 CB PHE A 36 -13.236 -0.991 15.491 1.00 1.00 C ATOM 502 CG PHE A 36 -14.335 -0.224 16.231 1.00 1.00 C ATOM 503 CD1 PHE A 36 -14.009 0.606 17.259 1.00 1.00 C ATOM 504 CD2 PHE A 36 -15.635 -0.371 15.861 1.00 1.00 C ATOM 505 CE1 PHE A 36 -15.029 1.318 17.946 1.00 1.00 C ATOM 506 CE2 PHE A 36 -16.653 0.341 16.548 1.00 1.00 C ATOM 507 CZ PHE A 36 -16.329 1.171 17.576 1.00 1.00 C ATOM 0 H PHE A 36 -10.419 -0.976 14.822 1.00 1.00 H new ATOM 0 HA PHE A 36 -12.839 0.327 13.796 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.700 -1.734 14.842 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.633 -1.534 16.219 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -12.976 0.723 17.552 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -15.893 -1.029 15.045 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.771 1.976 18.763 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -17.686 0.224 16.254 1.00 1.00 H new ATOM 0 HZ PHE A 36 -17.104 1.713 18.098 1.00 1.00 H new ATOM 517 N ASP A 37 -12.343 2.228 15.260 1.00 1.00 N ATOM 518 CA ASP A 37 -11.950 3.410 16.006 1.00 1.00 C ATOM 519 C ASP A 37 -13.201 4.118 16.530 1.00 1.00 C ATOM 520 O ASP A 37 -13.535 4.006 17.709 1.00 1.00 O ATOM 521 CB ASP A 37 -11.187 4.394 15.117 1.00 1.00 C ATOM 522 CG ASP A 37 -11.278 5.860 15.548 1.00 1.00 C ATOM 523 OD1 ASP A 37 -12.224 6.531 15.080 1.00 1.00 O ATOM 524 OD2 ASP A 37 -10.402 6.276 16.336 1.00 1.00 O ATOM 0 H ASP A 37 -13.051 2.392 14.544 1.00 1.00 H new ATOM 0 HA ASP A 37 -11.307 3.092 16.827 1.00 1.00 H new ATOM 0 HB2 ASP A 37 -10.137 4.102 15.095 1.00 1.00 H new ATOM 0 HB3 ASP A 37 -11.563 4.307 14.098 1.00 1.00 H new ATOM 529 N SER A 38 -13.859 4.831 15.628 1.00 1.00 N ATOM 530 CA SER A 38 -15.067 5.557 15.983 1.00 1.00 C ATOM 531 C SER A 38 -14.702 6.865 16.690 1.00 1.00 C ATOM 532 O SER A 38 -15.523 7.777 16.775 1.00 1.00 O ATOM 533 CB SER A 38 -15.977 4.709 16.874 1.00 1.00 C ATOM 534 OG SER A 38 -17.207 5.368 17.161 1.00 1.00 O ATOM 0 H SER A 38 -13.579 4.922 14.652 1.00 1.00 H new ATOM 0 HA SER A 38 -15.611 5.785 15.067 1.00 1.00 H new ATOM 0 HB2 SER A 38 -16.181 3.758 16.383 1.00 1.00 H new ATOM 0 HB3 SER A 38 -15.461 4.481 17.807 1.00 1.00 H new ATOM 0 HG SER A 38 -17.827 5.244 16.412 1.00 1.00 H new ATOM 540 N GLN A 39 -13.472 6.913 17.178 1.00 1.00 N ATOM 541 CA GLN A 39 -12.989 8.093 17.875 1.00 1.00 C ATOM 542 C GLN A 39 -13.394 9.360 17.117 1.00 1.00 C ATOM 543 O GLN A 39 -13.419 10.448 17.689 1.00 1.00 O ATOM 544 CB GLN A 39 -11.472 8.033 18.068 1.00 1.00 C ATOM 545 CG GLN A 39 -11.084 6.883 19.000 1.00 1.00 C ATOM 546 CD GLN A 39 -9.808 7.214 19.777 1.00 1.00 C ATOM 547 OE1 GLN A 39 -8.802 6.531 19.689 1.00 1.00 O ATOM 548 NE2 GLN A 39 -9.906 8.299 20.542 1.00 1.00 N ATOM 0 H GLN A 39 -12.795 6.154 17.105 1.00 1.00 H new ATOM 0 HA GLN A 39 -13.448 8.121 18.863 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.984 7.904 17.102 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.117 8.977 18.481 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -11.898 6.685 19.698 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.934 5.973 18.418 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -10.779 8.826 20.570 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -9.108 8.603 21.100 1.00 1.00 H new ATOM 557 N VAL A 40 -13.704 9.174 15.842 1.00 1.00 N ATOM 558 CA VAL A 40 -14.108 10.289 15.001 1.00 1.00 C ATOM 559 C VAL A 40 -15.555 10.081 14.547 1.00 1.00 C ATOM 560 O VAL A 40 -15.888 9.040 13.982 1.00 1.00 O ATOM 561 CB VAL A 40 -13.131 10.443 13.833 1.00 1.00 C ATOM 562 CG1 VAL A 40 -13.624 11.500 12.843 1.00 1.00 C ATOM 563 CG2 VAL A 40 -11.725 10.774 14.336 1.00 1.00 C ATOM 0 H VAL A 40 -13.684 8.269 15.371 1.00 1.00 H new ATOM 0 HA VAL A 40 -14.074 11.223 15.561 1.00 1.00 H new ATOM 0 HB VAL A 40 -13.082 9.489 13.307 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -12.912 11.590 12.023 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -14.596 11.204 12.449 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -13.715 12.460 13.351 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -11.050 10.878 13.487 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -11.750 11.708 14.897 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -11.372 9.971 14.984 1.00 1.00 H new ATOM 573 N PRO A 41 -16.396 11.113 14.818 1.00 1.00 N ATOM 574 CA PRO A 41 -17.799 11.055 14.444 1.00 1.00 C ATOM 575 C PRO A 41 -17.974 11.262 12.937 1.00 1.00 C ATOM 576 O PRO A 41 -17.219 12.010 12.319 1.00 1.00 O ATOM 577 CB PRO A 41 -18.473 12.134 15.274 1.00 1.00 C ATOM 578 CG PRO A 41 -17.361 13.063 15.733 1.00 1.00 C ATOM 579 CD PRO A 41 -16.036 12.361 15.486 1.00 1.00 C ATOM 0 HA PRO A 41 -18.247 10.081 14.642 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -19.214 12.674 14.685 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -18.997 11.701 16.126 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -17.401 14.006 15.187 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -17.475 13.302 16.790 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -15.377 12.967 14.864 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -15.508 12.172 16.421 1.00 1.00 H new ATOM 587 N GLY A 42 -18.975 10.586 12.392 1.00 1.00 N ATOM 588 CA GLY A 42 -19.257 10.686 10.971 1.00 1.00 C ATOM 589 C GLY A 42 -18.339 9.768 10.162 1.00 1.00 C ATOM 590 O GLY A 42 -18.795 8.785 9.580 1.00 1.00 O ATOM 0 H GLY A 42 -19.600 9.967 12.909 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -20.298 10.421 10.784 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -19.126 11.717 10.643 1.00 1.00 H new ATOM 594 N VAL A 43 -17.062 10.122 10.152 1.00 1.00 N ATOM 595 CA VAL A 43 -16.076 9.342 9.424 1.00 1.00 C ATOM 596 C VAL A 43 -16.299 7.854 9.705 1.00 1.00 C ATOM 597 O VAL A 43 -17.072 7.497 10.592 1.00 1.00 O ATOM 598 CB VAL A 43 -14.666 9.813 9.786 1.00 1.00 C ATOM 599 CG1 VAL A 43 -14.594 11.340 9.835 1.00 1.00 C ATOM 600 CG2 VAL A 43 -14.205 9.199 11.108 1.00 1.00 C ATOM 0 H VAL A 43 -16.688 10.938 10.636 1.00 1.00 H new ATOM 0 HA VAL A 43 -16.189 9.491 8.350 1.00 1.00 H new ATOM 0 HB VAL A 43 -13.988 9.471 9.004 1.00 1.00 H new ATOM 0 HG11 VAL A 43 -13.581 11.648 10.094 1.00 1.00 H new ATOM 0 HG12 VAL A 43 -14.859 11.748 8.860 1.00 1.00 H new ATOM 0 HG13 VAL A 43 -15.290 11.713 10.586 1.00 1.00 H new ATOM 0 HG21 VAL A 43 -13.200 9.550 11.341 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -14.887 9.496 11.905 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -14.199 8.112 11.022 1.00 1.00 H new ATOM 610 N PRO A 44 -15.591 7.007 8.911 1.00 1.00 N ATOM 611 CA PRO A 44 -15.706 5.567 9.066 1.00 1.00 C ATOM 612 C PRO A 44 -14.953 5.088 10.308 1.00 1.00 C ATOM 613 O PRO A 44 -13.728 5.188 10.374 1.00 1.00 O ATOM 614 CB PRO A 44 -15.150 4.987 7.774 1.00 1.00 C ATOM 615 CG PRO A 44 -14.323 6.095 7.143 1.00 1.00 C ATOM 616 CD PRO A 44 -14.667 7.396 7.850 1.00 1.00 C ATOM 0 HA PRO A 44 -16.734 5.241 9.224 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -14.538 4.107 7.972 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -15.954 4.673 7.109 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -13.259 5.879 7.239 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -14.538 6.172 6.077 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -13.776 7.874 8.256 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -15.127 8.109 7.166 1.00 1.00 H new ATOM 624 N TRP A 45 -15.716 4.577 11.263 1.00 1.00 N ATOM 625 CA TRP A 45 -15.136 4.081 12.500 1.00 1.00 C ATOM 626 C TRP A 45 -14.332 2.821 12.174 1.00 1.00 C ATOM 627 O TRP A 45 -13.173 2.702 12.567 1.00 1.00 O ATOM 628 CB TRP A 45 -16.217 3.844 13.556 1.00 1.00 C ATOM 629 CG TRP A 45 -17.111 5.058 13.816 1.00 1.00 C ATOM 630 CD1 TRP A 45 -16.981 6.298 13.325 1.00 1.00 C ATOM 631 CD2 TRP A 45 -18.285 5.099 14.655 1.00 1.00 C ATOM 632 NE1 TRP A 45 -17.980 7.132 13.784 1.00 1.00 N ATOM 633 CE2 TRP A 45 -18.798 6.379 14.619 1.00 1.00 C ATOM 634 CE3 TRP A 45 -18.893 4.087 15.418 1.00 1.00 C ATOM 635 CZ2 TRP A 45 -19.943 6.767 15.325 1.00 1.00 C ATOM 636 CZ3 TRP A 45 -20.036 4.490 16.119 1.00 1.00 C ATOM 637 CH2 TRP A 45 -20.566 5.775 16.093 1.00 1.00 C ATOM 0 H TRP A 45 -16.731 4.496 11.205 1.00 1.00 H new ATOM 0 HA TRP A 45 -14.463 4.820 12.934 1.00 1.00 H new ATOM 0 HB2 TRP A 45 -16.841 3.007 13.241 1.00 1.00 H new ATOM 0 HB3 TRP A 45 -15.739 3.551 14.491 1.00 1.00 H new ATOM 0 HD1 TRP A 45 -16.193 6.606 12.654 1.00 1.00 H new ATOM 0 HE1 TRP A 45 -18.097 8.119 13.553 1.00 1.00 H new ATOM 0 HE3 TRP A 45 -18.509 3.079 15.460 1.00 1.00 H new ATOM 0 HZ2 TRP A 45 -20.325 7.776 15.280 1.00 1.00 H new ATOM 0 HZ3 TRP A 45 -20.542 3.751 16.722 1.00 1.00 H new ATOM 0 HH2 TRP A 45 -21.454 6.007 16.662 1.00 1.00 H new ATOM 648 N CYS A 46 -14.980 1.913 11.459 1.00 1.00 N ATOM 649 CA CYS A 46 -14.339 0.666 11.077 1.00 1.00 C ATOM 650 C CYS A 46 -13.640 0.878 9.733 1.00 1.00 C ATOM 651 O CYS A 46 -14.248 1.372 8.784 1.00 1.00 O ATOM 652 CB CYS A 46 -15.340 -0.490 11.023 1.00 1.00 C ATOM 653 SG CYS A 46 -15.531 -1.414 12.592 1.00 1.00 S ATOM 0 H CYS A 46 -15.941 2.016 11.134 1.00 1.00 H new ATOM 0 HA CYS A 46 -13.601 0.387 11.829 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -16.313 -0.096 10.729 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -15.029 -1.186 10.244 1.00 1.00 H new ATOM 658 N PHE A 47 -12.373 0.495 9.694 1.00 1.00 N ATOM 659 CA PHE A 47 -11.584 0.637 8.482 1.00 1.00 C ATOM 660 C PHE A 47 -10.556 -0.490 8.361 1.00 1.00 C ATOM 661 O PHE A 47 -10.629 -1.482 9.085 1.00 1.00 O ATOM 662 CB PHE A 47 -10.848 1.974 8.581 1.00 1.00 C ATOM 663 CG PHE A 47 -10.436 2.353 10.005 1.00 1.00 C ATOM 664 CD1 PHE A 47 -9.862 1.426 10.817 1.00 1.00 C ATOM 665 CD2 PHE A 47 -10.643 3.619 10.460 1.00 1.00 C ATOM 666 CE1 PHE A 47 -9.479 1.778 12.138 1.00 1.00 C ATOM 667 CE2 PHE A 47 -10.261 3.971 11.781 1.00 1.00 C ATOM 668 CZ PHE A 47 -9.687 3.043 12.593 1.00 1.00 C ATOM 0 H PHE A 47 -11.872 0.086 10.483 1.00 1.00 H new ATOM 0 HA PHE A 47 -12.234 0.594 7.608 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -9.957 1.934 7.954 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -11.487 2.760 8.177 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -9.697 0.421 10.457 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -11.098 4.356 9.815 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -9.022 1.041 12.782 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -10.426 4.976 12.141 1.00 1.00 H new ATOM 0 HZ PHE A 47 -9.397 3.310 13.598 1.00 1.00 H new ATOM 678 N LYS A 48 -9.621 -0.299 7.442 1.00 1.00 N ATOM 679 CA LYS A 48 -8.580 -1.287 7.216 1.00 1.00 C ATOM 680 C LYS A 48 -7.246 -0.741 7.731 1.00 1.00 C ATOM 681 O LYS A 48 -6.941 0.436 7.549 1.00 1.00 O ATOM 682 CB LYS A 48 -8.546 -1.705 5.745 1.00 1.00 C ATOM 683 CG LYS A 48 -9.338 -0.724 4.878 1.00 1.00 C ATOM 684 CD LYS A 48 -8.635 0.633 4.802 1.00 1.00 C ATOM 685 CE LYS A 48 -7.888 0.788 3.476 1.00 1.00 C ATOM 686 NZ LYS A 48 -8.773 0.445 2.339 1.00 1.00 N ATOM 0 H LYS A 48 -9.563 0.526 6.845 1.00 1.00 H new ATOM 0 HA LYS A 48 -8.791 -2.198 7.776 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -7.513 -1.749 5.400 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -8.961 -2.707 5.638 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -9.456 -1.133 3.875 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -10.339 -0.596 5.289 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -9.368 1.433 4.907 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -7.935 0.731 5.632 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -7.531 1.812 3.370 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -7.010 0.142 3.469 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -8.478 -0.465 1.931 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -9.755 0.372 2.673 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -8.708 1.187 1.613 1.00 1.00 H new ATOM 700 N PRO A 49 -6.466 -1.647 8.381 1.00 1.00 N ATOM 701 CA PRO A 49 -5.173 -1.269 8.922 1.00 1.00 C ATOM 702 C PRO A 49 -4.133 -1.121 7.809 1.00 1.00 C ATOM 703 O PRO A 49 -4.412 -1.428 6.651 1.00 1.00 O ATOM 704 CB PRO A 49 -4.826 -2.365 9.916 1.00 1.00 C ATOM 705 CG PRO A 49 -5.710 -3.549 9.556 1.00 1.00 C ATOM 706 CD PRO A 49 -6.795 -3.050 8.615 1.00 1.00 C ATOM 0 HA PRO A 49 -5.192 -0.296 9.412 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -3.771 -2.631 9.851 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.010 -2.037 10.939 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.122 -4.334 9.079 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -6.152 -3.982 10.453 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -6.802 -3.616 7.683 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -7.784 -3.156 9.060 1.00 1.00 H new ATOM 714 N LEU A 50 -2.958 -0.650 8.199 1.00 1.00 N ATOM 715 CA LEU A 50 -1.877 -0.458 7.248 1.00 1.00 C ATOM 716 C LEU A 50 -0.660 -1.271 7.694 1.00 1.00 C ATOM 717 O LEU A 50 0.408 -0.714 7.940 1.00 1.00 O ATOM 718 CB LEU A 50 -1.585 1.033 7.062 1.00 1.00 C ATOM 719 CG LEU A 50 -1.319 1.828 8.342 1.00 1.00 C ATOM 720 CD1 LEU A 50 0.167 2.171 8.476 1.00 1.00 C ATOM 721 CD2 LEU A 50 -2.203 3.075 8.406 1.00 1.00 C ATOM 0 H LEU A 50 -2.731 -0.396 9.160 1.00 1.00 H new ATOM 0 HA LEU A 50 -2.166 -0.828 6.264 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -0.719 1.135 6.408 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.430 1.487 6.545 1.00 1.00 H new ATOM 0 HG LEU A 50 -1.583 1.202 9.194 1.00 1.00 H new ATOM 0 HD11 LEU A 50 0.329 2.736 9.394 1.00 1.00 H new ATOM 0 HD12 LEU A 50 0.751 1.251 8.508 1.00 1.00 H new ATOM 0 HD13 LEU A 50 0.481 2.770 7.621 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -1.994 3.622 9.325 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -1.994 3.714 7.548 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -3.252 2.779 8.390 1.00 1.00 H new ATOM 733 N PRO A 51 -0.868 -2.613 7.787 1.00 1.00 N ATOM 734 CA PRO A 51 0.199 -3.509 8.200 1.00 1.00 C ATOM 735 C PRO A 51 1.213 -3.710 7.072 1.00 1.00 C ATOM 736 O PRO A 51 1.080 -3.121 6.000 1.00 1.00 O ATOM 737 CB PRO A 51 -0.502 -4.796 8.604 1.00 1.00 C ATOM 738 CG PRO A 51 -1.881 -4.736 7.968 1.00 1.00 C ATOM 739 CD PRO A 51 -2.119 -3.308 7.503 1.00 1.00 C ATOM 0 HA PRO A 51 0.784 -3.112 9.030 1.00 1.00 H new ATOM 0 HB2 PRO A 51 0.051 -5.668 8.256 1.00 1.00 H new ATOM 0 HB3 PRO A 51 -0.575 -4.877 9.689 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -1.944 -5.427 7.127 1.00 1.00 H new ATOM 0 HG3 PRO A 51 -2.645 -5.036 8.685 1.00 1.00 H new ATOM 0 HD2 PRO A 51 -2.359 -3.272 6.440 1.00 1.00 H new ATOM 0 HD3 PRO A 51 -2.955 -2.852 8.034 1.00 1.00 H new ATOM 747 N ALA A 52 2.205 -4.542 7.353 1.00 1.00 N ATOM 748 CA ALA A 52 3.241 -4.828 6.375 1.00 1.00 C ATOM 749 C ALA A 52 4.010 -6.079 6.804 1.00 1.00 C ATOM 750 O ALA A 52 4.434 -6.187 7.954 1.00 1.00 O ATOM 751 CB ALA A 52 4.150 -3.607 6.224 1.00 1.00 C ATOM 0 H ALA A 52 2.313 -5.027 8.244 1.00 1.00 H new ATOM 0 HA ALA A 52 2.802 -5.031 5.398 1.00 1.00 H new ATOM 0 HB1 ALA A 52 4.927 -3.821 5.491 1.00 1.00 H new ATOM 0 HB2 ALA A 52 3.560 -2.754 5.890 1.00 1.00 H new ATOM 0 HB3 ALA A 52 4.611 -3.376 7.184 1.00 1.00 H new ATOM 757 N GLN A 53 4.168 -6.992 5.857 1.00 1.00 N ATOM 758 CA GLN A 53 4.879 -8.231 6.124 1.00 1.00 C ATOM 759 C GLN A 53 4.137 -9.053 7.179 1.00 1.00 C ATOM 760 O GLN A 53 3.243 -8.543 7.853 1.00 1.00 O ATOM 761 CB GLN A 53 6.320 -7.953 6.559 1.00 1.00 C ATOM 762 CG GLN A 53 6.953 -6.860 5.696 1.00 1.00 C ATOM 763 CD GLN A 53 8.203 -6.288 6.366 1.00 1.00 C ATOM 764 OE1 GLN A 53 9.175 -6.981 6.622 1.00 1.00 O ATOM 765 NE2 GLN A 53 8.125 -4.988 6.636 1.00 1.00 N ATOM 0 H GLN A 53 3.816 -6.899 4.904 1.00 1.00 H new ATOM 0 HA GLN A 53 4.917 -8.811 5.202 1.00 1.00 H new ATOM 0 HB2 GLN A 53 6.335 -7.649 7.606 1.00 1.00 H new ATOM 0 HB3 GLN A 53 6.909 -8.867 6.484 1.00 1.00 H new ATOM 0 HG2 GLN A 53 7.214 -7.268 4.720 1.00 1.00 H new ATOM 0 HG3 GLN A 53 6.230 -6.062 5.525 1.00 1.00 H new ATOM 0 HE21 GLN A 53 7.282 -4.467 6.395 1.00 1.00 H new ATOM 0 HE22 GLN A 53 8.908 -4.512 7.084 1.00 1.00 H new ATOM 774 N GLU A 54 4.533 -10.313 7.289 1.00 1.00 N ATOM 775 CA GLU A 54 3.916 -11.210 8.250 1.00 1.00 C ATOM 776 C GLU A 54 4.262 -10.780 9.677 1.00 1.00 C ATOM 777 O GLU A 54 3.765 -11.358 10.641 1.00 1.00 O ATOM 778 CB GLU A 54 4.338 -12.659 7.997 1.00 1.00 C ATOM 779 CG GLU A 54 5.696 -12.955 8.637 1.00 1.00 C ATOM 780 CD GLU A 54 6.804 -12.132 7.976 1.00 1.00 C ATOM 781 OE1 GLU A 54 6.877 -10.923 8.288 1.00 1.00 O ATOM 782 OE2 GLU A 54 7.553 -12.730 7.175 1.00 1.00 O ATOM 0 H GLU A 54 5.274 -10.733 6.728 1.00 1.00 H new ATOM 0 HA GLU A 54 2.834 -11.154 8.127 1.00 1.00 H new ATOM 0 HB2 GLU A 54 3.586 -13.336 8.402 1.00 1.00 H new ATOM 0 HB3 GLU A 54 4.390 -12.844 6.924 1.00 1.00 H new ATOM 0 HG2 GLU A 54 5.657 -12.729 9.703 1.00 1.00 H new ATOM 0 HG3 GLU A 54 5.922 -14.017 8.544 1.00 1.00 H new ATOM 789 N SER A 55 5.112 -9.767 9.765 1.00 1.00 N ATOM 790 CA SER A 55 5.530 -9.253 11.058 1.00 1.00 C ATOM 791 C SER A 55 4.635 -8.083 11.471 1.00 1.00 C ATOM 792 O SER A 55 3.962 -7.486 10.631 1.00 1.00 O ATOM 793 CB SER A 55 6.996 -8.814 11.028 1.00 1.00 C ATOM 794 OG SER A 55 7.723 -9.451 9.981 1.00 1.00 O ATOM 0 H SER A 55 5.522 -9.289 8.963 1.00 1.00 H new ATOM 0 HA SER A 55 5.432 -10.053 11.792 1.00 1.00 H new ATOM 0 HB2 SER A 55 7.048 -7.733 10.900 1.00 1.00 H new ATOM 0 HB3 SER A 55 7.463 -9.044 11.986 1.00 1.00 H new ATOM 0 HG SER A 55 7.324 -10.326 9.791 1.00 1.00 H new ATOM 800 N GLU A 56 4.656 -7.789 12.762 1.00 1.00 N ATOM 801 CA GLU A 56 3.855 -6.702 13.296 1.00 1.00 C ATOM 802 C GLU A 56 4.697 -5.829 14.228 1.00 1.00 C ATOM 803 O GLU A 56 4.939 -6.194 15.377 1.00 1.00 O ATOM 804 CB GLU A 56 2.615 -7.237 14.018 1.00 1.00 C ATOM 805 CG GLU A 56 1.648 -7.894 13.032 1.00 1.00 C ATOM 806 CD GLU A 56 0.539 -8.647 13.771 1.00 1.00 C ATOM 807 OE1 GLU A 56 0.755 -8.944 14.966 1.00 1.00 O ATOM 808 OE2 GLU A 56 -0.498 -8.908 13.124 1.00 1.00 O ATOM 0 H GLU A 56 5.216 -8.286 13.455 1.00 1.00 H new ATOM 0 HA GLU A 56 3.514 -6.087 12.464 1.00 1.00 H new ATOM 0 HB2 GLU A 56 2.915 -7.961 14.776 1.00 1.00 H new ATOM 0 HB3 GLU A 56 2.112 -6.421 14.538 1.00 1.00 H new ATOM 0 HG2 GLU A 56 1.208 -7.133 12.387 1.00 1.00 H new ATOM 0 HG3 GLU A 56 2.193 -8.583 12.387 1.00 1.00 H new ATOM 815 N GLU A 57 5.120 -4.691 13.697 1.00 1.00 N ATOM 816 CA GLU A 57 5.931 -3.762 14.467 1.00 1.00 C ATOM 817 C GLU A 57 6.486 -2.663 13.559 1.00 1.00 C ATOM 818 O GLU A 57 6.785 -1.564 14.020 1.00 1.00 O ATOM 819 CB GLU A 57 7.061 -4.494 15.196 1.00 1.00 C ATOM 820 CG GLU A 57 7.644 -5.608 14.324 1.00 1.00 C ATOM 821 CD GLU A 57 8.973 -6.108 14.891 1.00 1.00 C ATOM 822 OE1 GLU A 57 9.521 -5.399 15.764 1.00 1.00 O ATOM 823 OE2 GLU A 57 9.413 -7.187 14.440 1.00 1.00 O ATOM 0 H GLU A 57 4.917 -4.391 12.744 1.00 1.00 H new ATOM 0 HA GLU A 57 5.297 -3.297 15.222 1.00 1.00 H new ATOM 0 HB2 GLU A 57 7.846 -3.786 15.461 1.00 1.00 H new ATOM 0 HB3 GLU A 57 6.684 -4.916 16.128 1.00 1.00 H new ATOM 0 HG2 GLU A 57 6.936 -6.435 14.263 1.00 1.00 H new ATOM 0 HG3 GLU A 57 7.793 -5.240 13.309 1.00 1.00 H new ATOM 830 N CYS A 58 6.608 -2.999 12.283 1.00 1.00 N ATOM 831 CA CYS A 58 7.122 -2.056 11.306 1.00 1.00 C ATOM 832 C CYS A 58 5.978 -1.132 10.882 1.00 1.00 C ATOM 833 O CYS A 58 6.148 -0.290 10.001 1.00 1.00 O ATOM 834 CB CYS A 58 7.754 -2.768 10.109 1.00 1.00 C ATOM 835 SG CYS A 58 8.922 -4.108 10.543 1.00 1.00 S ATOM 0 H CYS A 58 6.359 -3.913 11.904 1.00 1.00 H new ATOM 0 HA CYS A 58 7.920 -1.464 11.754 1.00 1.00 H new ATOM 0 HB2 CYS A 58 6.959 -3.184 9.490 1.00 1.00 H new ATOM 0 HB3 CYS A 58 8.278 -2.031 9.501 1.00 1.00 H new ATOM 840 N VAL A 59 4.837 -1.322 11.527 1.00 1.00 N ATOM 841 CA VAL A 59 3.664 -0.517 11.228 1.00 1.00 C ATOM 842 C VAL A 59 3.836 0.874 11.842 1.00 1.00 C ATOM 843 O VAL A 59 4.186 1.000 13.014 1.00 1.00 O ATOM 844 CB VAL A 59 2.401 -1.232 11.712 1.00 1.00 C ATOM 845 CG1 VAL A 59 1.180 -0.798 10.899 1.00 1.00 C ATOM 846 CG2 VAL A 59 2.579 -2.751 11.666 1.00 1.00 C ATOM 0 H VAL A 59 4.699 -2.022 12.256 1.00 1.00 H new ATOM 0 HA VAL A 59 3.555 -0.386 10.151 1.00 1.00 H new ATOM 0 HB VAL A 59 2.231 -0.946 12.750 1.00 1.00 H new ATOM 0 HG11 VAL A 59 0.296 -1.321 11.263 1.00 1.00 H new ATOM 0 HG12 VAL A 59 1.035 0.277 11.005 1.00 1.00 H new ATOM 0 HG13 VAL A 59 1.338 -1.041 9.848 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.667 -3.235 12.015 1.00 1.00 H new ATOM 0 HG22 VAL A 59 2.786 -3.062 10.642 1.00 1.00 H new ATOM 0 HG23 VAL A 59 3.411 -3.039 12.308 1.00 1.00 H new ATOM 856 N MET A 60 3.582 1.882 11.021 1.00 1.00 N ATOM 857 CA MET A 60 3.704 3.260 11.469 1.00 1.00 C ATOM 858 C MET A 60 3.448 4.235 10.317 1.00 1.00 C ATOM 859 O MET A 60 3.598 3.877 9.150 1.00 1.00 O ATOM 860 CB MET A 60 5.107 3.492 12.032 1.00 1.00 C ATOM 861 CG MET A 60 6.082 3.900 10.925 1.00 1.00 C ATOM 862 SD MET A 60 7.764 3.703 11.489 1.00 1.00 S ATOM 863 CE MET A 60 7.925 1.929 11.373 1.00 1.00 C ATOM 0 H MET A 60 3.293 1.773 10.049 1.00 1.00 H new ATOM 0 HA MET A 60 2.958 3.438 12.244 1.00 1.00 H new ATOM 0 HB2 MET A 60 5.072 4.269 12.796 1.00 1.00 H new ATOM 0 HB3 MET A 60 5.463 2.583 12.518 1.00 1.00 H new ATOM 0 HG2 MET A 60 5.914 3.290 10.038 1.00 1.00 H new ATOM 0 HG3 MET A 60 5.905 4.936 10.637 1.00 1.00 H new ATOM 0 HE1 MET A 60 8.925 1.633 11.691 1.00 1.00 H new ATOM 0 HE2 MET A 60 7.184 1.454 12.016 1.00 1.00 H new ATOM 0 HE3 MET A 60 7.765 1.616 10.341 1.00 1.00 H new ATOM 873 N GLN A 61 3.067 5.449 10.686 1.00 1.00 N ATOM 874 CA GLN A 61 2.789 6.479 9.699 1.00 1.00 C ATOM 875 C GLN A 61 4.093 7.102 9.200 1.00 1.00 C ATOM 876 O GLN A 61 5.150 6.902 9.799 1.00 1.00 O ATOM 877 CB GLN A 61 1.854 7.546 10.269 1.00 1.00 C ATOM 878 CG GLN A 61 0.391 7.203 9.984 1.00 1.00 C ATOM 879 CD GLN A 61 -0.340 8.393 9.358 1.00 1.00 C ATOM 880 OE1 GLN A 61 0.212 9.156 8.583 1.00 1.00 O ATOM 881 NE2 GLN A 61 -1.611 8.507 9.736 1.00 1.00 N ATOM 0 H GLN A 61 2.944 5.743 11.655 1.00 1.00 H new ATOM 0 HA GLN A 61 2.284 6.016 8.852 1.00 1.00 H new ATOM 0 HB2 GLN A 61 2.008 7.632 11.345 1.00 1.00 H new ATOM 0 HB3 GLN A 61 2.095 8.516 9.834 1.00 1.00 H new ATOM 0 HG2 GLN A 61 0.339 6.346 9.313 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -0.105 6.913 10.910 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -2.011 7.833 10.389 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -2.185 9.268 9.373 1.00 1.00 H new ATOM 890 N VAL A 62 3.979 7.844 8.110 1.00 1.00 N ATOM 891 CA VAL A 62 5.136 8.499 7.524 1.00 1.00 C ATOM 892 C VAL A 62 5.847 9.326 8.597 1.00 1.00 C ATOM 893 O VAL A 62 7.020 9.665 8.449 1.00 1.00 O ATOM 894 CB VAL A 62 4.711 9.331 6.313 1.00 1.00 C ATOM 895 CG1 VAL A 62 4.918 8.551 5.012 1.00 1.00 C ATOM 896 CG2 VAL A 62 3.258 9.794 6.448 1.00 1.00 C ATOM 0 H VAL A 62 3.102 8.007 7.616 1.00 1.00 H new ATOM 0 HA VAL A 62 5.848 7.759 7.159 1.00 1.00 H new ATOM 0 HB VAL A 62 5.344 10.218 6.277 1.00 1.00 H new ATOM 0 HG11 VAL A 62 4.608 9.165 4.166 1.00 1.00 H new ATOM 0 HG12 VAL A 62 5.972 8.293 4.906 1.00 1.00 H new ATOM 0 HG13 VAL A 62 4.322 7.639 5.036 1.00 1.00 H new ATOM 0 HG21 VAL A 62 2.981 10.383 5.574 1.00 1.00 H new ATOM 0 HG22 VAL A 62 2.604 8.925 6.521 1.00 1.00 H new ATOM 0 HG23 VAL A 62 3.152 10.404 7.345 1.00 1.00 H new ATOM 906 N SER A 63 5.106 9.627 9.653 1.00 1.00 N ATOM 907 CA SER A 63 5.650 10.408 10.751 1.00 1.00 C ATOM 908 C SER A 63 6.036 9.486 11.909 1.00 1.00 C ATOM 909 O SER A 63 5.686 9.749 13.059 1.00 1.00 O ATOM 910 CB SER A 63 4.650 11.465 11.224 1.00 1.00 C ATOM 911 OG SER A 63 4.810 12.700 10.531 1.00 1.00 O ATOM 0 H SER A 63 4.133 9.344 9.772 1.00 1.00 H new ATOM 0 HA SER A 63 6.541 10.924 10.394 1.00 1.00 H new ATOM 0 HB2 SER A 63 3.635 11.096 11.077 1.00 1.00 H new ATOM 0 HB3 SER A 63 4.777 11.631 12.294 1.00 1.00 H new ATOM 0 HG SER A 63 4.152 13.348 10.860 1.00 1.00 H new ATOM 917 N ALA A 64 6.751 8.425 11.565 1.00 1.00 N ATOM 918 CA ALA A 64 7.187 7.462 12.563 1.00 1.00 C ATOM 919 C ALA A 64 8.526 6.859 12.131 1.00 1.00 C ATOM 920 O ALA A 64 9.398 6.615 12.964 1.00 1.00 O ATOM 921 CB ALA A 64 6.104 6.399 12.755 1.00 1.00 C ATOM 0 H ALA A 64 7.039 8.211 10.610 1.00 1.00 H new ATOM 0 HA ALA A 64 7.339 7.949 13.526 1.00 1.00 H new ATOM 0 HB1 ALA A 64 6.431 5.677 13.503 1.00 1.00 H new ATOM 0 HB2 ALA A 64 5.182 6.875 13.089 1.00 1.00 H new ATOM 0 HB3 ALA A 64 5.926 5.886 11.810 1.00 1.00 H new ATOM 927 N ARG A 65 8.646 6.635 10.830 1.00 1.00 N ATOM 928 CA ARG A 65 9.863 6.065 10.279 1.00 1.00 C ATOM 929 C ARG A 65 11.088 6.804 10.821 1.00 1.00 C ATOM 930 O ARG A 65 10.967 7.648 11.707 1.00 1.00 O ATOM 931 CB ARG A 65 9.864 6.143 8.751 1.00 1.00 C ATOM 932 CG ARG A 65 9.973 7.593 8.275 1.00 1.00 C ATOM 933 CD ARG A 65 9.014 7.863 7.113 1.00 1.00 C ATOM 934 NE ARG A 65 9.508 8.996 6.302 1.00 1.00 N ATOM 935 CZ ARG A 65 8.721 9.798 5.572 1.00 1.00 C ATOM 936 NH1 ARG A 65 7.397 9.594 5.547 1.00 1.00 N ATOM 937 NH2 ARG A 65 9.257 10.803 4.867 1.00 1.00 N ATOM 0 H ARG A 65 7.920 6.838 10.142 1.00 1.00 H new ATOM 0 HA ARG A 65 9.904 5.018 10.579 1.00 1.00 H new ATOM 0 HB2 ARG A 65 10.697 5.563 8.354 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.950 5.696 8.360 1.00 1.00 H new ATOM 0 HG2 ARG A 65 9.749 8.268 9.101 1.00 1.00 H new ATOM 0 HG3 ARG A 65 10.996 7.801 7.962 1.00 1.00 H new ATOM 0 HD2 ARG A 65 8.923 6.972 6.491 1.00 1.00 H new ATOM 0 HD3 ARG A 65 8.019 8.087 7.497 1.00 1.00 H new ATOM 0 HE ARG A 65 10.511 9.179 6.298 1.00 1.00 H new ATOM 0 HH11 ARG A 65 6.989 8.829 6.083 1.00 1.00 H new ATOM 0 HH12 ARG A 65 6.797 10.204 4.992 1.00 1.00 H new ATOM 0 HH21 ARG A 65 10.265 10.958 4.886 1.00 1.00 H new ATOM 0 HH22 ARG A 65 8.657 11.413 4.312 1.00 1.00 H new ATOM 951 N LYS A 66 12.241 6.460 10.265 1.00 1.00 N ATOM 952 CA LYS A 66 13.487 7.080 10.682 1.00 1.00 C ATOM 953 C LYS A 66 14.397 7.256 9.464 1.00 1.00 C ATOM 954 O LYS A 66 14.326 8.271 8.772 1.00 1.00 O ATOM 955 CB LYS A 66 14.129 6.282 11.818 1.00 1.00 C ATOM 956 CG LYS A 66 13.218 6.247 13.046 1.00 1.00 C ATOM 957 CD LYS A 66 14.034 6.091 14.330 1.00 1.00 C ATOM 958 CE LYS A 66 14.801 7.375 14.651 1.00 1.00 C ATOM 959 NZ LYS A 66 14.081 8.169 15.672 1.00 1.00 N ATOM 0 H LYS A 66 12.338 5.760 9.529 1.00 1.00 H new ATOM 0 HA LYS A 66 13.300 8.074 11.088 1.00 1.00 H new ATOM 0 HB2 LYS A 66 14.333 5.265 11.483 1.00 1.00 H new ATOM 0 HB3 LYS A 66 15.087 6.728 12.084 1.00 1.00 H new ATOM 0 HG2 LYS A 66 12.630 7.164 13.094 1.00 1.00 H new ATOM 0 HG3 LYS A 66 12.513 5.421 12.957 1.00 1.00 H new ATOM 0 HD2 LYS A 66 13.371 5.842 15.159 1.00 1.00 H new ATOM 0 HD3 LYS A 66 14.734 5.262 14.222 1.00 1.00 H new ATOM 0 HE2 LYS A 66 15.800 7.128 15.012 1.00 1.00 H new ATOM 0 HE3 LYS A 66 14.927 7.967 13.744 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 14.616 9.037 15.878 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 13.137 8.420 15.314 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 13.983 7.608 16.542 1.00 1.00 H new ATOM 973 N ASN A 67 15.229 6.251 9.237 1.00 1.00 N ATOM 974 CA ASN A 67 16.152 6.282 8.115 1.00 1.00 C ATOM 975 C ASN A 67 17.332 5.353 8.405 1.00 1.00 C ATOM 976 O ASN A 67 18.338 5.780 8.972 1.00 1.00 O ATOM 977 CB ASN A 67 16.702 7.692 7.892 1.00 1.00 C ATOM 978 CG ASN A 67 16.091 8.328 6.643 1.00 1.00 C ATOM 979 OD1 ASN A 67 16.228 7.838 5.534 1.00 1.00 O ATOM 980 ND2 ASN A 67 15.410 9.444 6.882 1.00 1.00 N ATOM 0 H ASN A 67 15.284 5.410 9.811 1.00 1.00 H new ATOM 0 HA ASN A 67 15.611 5.962 7.224 1.00 1.00 H new ATOM 0 HB2 ASN A 67 16.487 8.312 8.762 1.00 1.00 H new ATOM 0 HB3 ASN A 67 17.786 7.651 7.790 1.00 1.00 H new ATOM 0 HD21 ASN A 67 14.964 9.944 6.113 1.00 1.00 H new ATOM 0 HD22 ASN A 67 15.334 9.801 7.835 1.00 1.00 H new ATOM 987 N CYS A 68 17.173 4.101 8.002 1.00 1.00 N ATOM 988 CA CYS A 68 18.214 3.109 8.212 1.00 1.00 C ATOM 989 C CYS A 68 18.819 2.752 6.852 1.00 1.00 C ATOM 990 O CYS A 68 19.726 3.432 6.375 1.00 1.00 O ATOM 991 CB CYS A 68 17.680 1.874 8.940 1.00 1.00 C ATOM 992 SG CYS A 68 18.858 0.477 9.049 1.00 1.00 S ATOM 0 H CYS A 68 16.339 3.751 7.531 1.00 1.00 H new ATOM 0 HA CYS A 68 18.989 3.523 8.857 1.00 1.00 H new ATOM 0 HB2 CYS A 68 17.387 2.163 9.949 1.00 1.00 H new ATOM 0 HB3 CYS A 68 16.778 1.532 8.432 1.00 1.00 H new ATOM 997 N GLY A 69 18.291 1.686 6.267 1.00 1.00 N ATOM 998 CA GLY A 69 18.768 1.231 4.972 1.00 1.00 C ATOM 999 C GLY A 69 19.079 2.417 4.055 1.00 1.00 C ATOM 1000 O GLY A 69 18.719 3.553 4.359 1.00 1.00 O ATOM 0 H GLY A 69 17.538 1.125 6.666 1.00 1.00 H new ATOM 0 HA2 GLY A 69 19.663 0.623 5.103 1.00 1.00 H new ATOM 0 HA3 GLY A 69 18.016 0.594 4.507 1.00 1.00 H new ATOM 1004 N TYR A 70 19.745 2.110 2.951 1.00 1.00 N ATOM 1005 CA TYR A 70 20.109 3.135 1.988 1.00 1.00 C ATOM 1006 C TYR A 70 19.301 2.987 0.698 1.00 1.00 C ATOM 1007 O TYR A 70 18.566 2.014 0.529 1.00 1.00 O ATOM 1008 CB TYR A 70 21.590 2.915 1.677 1.00 1.00 C ATOM 1009 CG TYR A 70 22.070 1.481 1.915 1.00 1.00 C ATOM 1010 CD1 TYR A 70 22.253 1.020 3.204 1.00 1.00 C ATOM 1011 CD2 TYR A 70 22.318 0.649 0.843 1.00 1.00 C ATOM 1012 CE1 TYR A 70 22.703 -0.328 3.429 1.00 1.00 C ATOM 1013 CE2 TYR A 70 22.769 -0.700 1.068 1.00 1.00 C ATOM 1014 CZ TYR A 70 22.939 -1.122 2.349 1.00 1.00 C ATOM 1015 OH TYR A 70 23.366 -2.396 2.562 1.00 1.00 O ATOM 0 H TYR A 70 20.042 1.166 2.702 1.00 1.00 H new ATOM 0 HA TYR A 70 19.910 4.128 2.391 1.00 1.00 H new ATOM 0 HB2 TYR A 70 21.776 3.181 0.636 1.00 1.00 H new ATOM 0 HB3 TYR A 70 22.184 3.593 2.290 1.00 1.00 H new ATOM 0 HD1 TYR A 70 22.058 1.671 4.043 1.00 1.00 H new ATOM 0 HD2 TYR A 70 22.174 1.009 -0.165 1.00 1.00 H new ATOM 0 HE1 TYR A 70 22.850 -0.701 4.432 1.00 1.00 H new ATOM 0 HE2 TYR A 70 22.968 -1.362 0.238 1.00 1.00 H new ATOM 0 HH TYR A 70 23.493 -2.847 1.701 1.00 1.00 H new ATOM 1025 N PRO A 71 19.467 3.991 -0.203 1.00 1.00 N ATOM 1026 CA PRO A 71 18.762 3.981 -1.474 1.00 1.00 C ATOM 1027 C PRO A 71 19.382 2.967 -2.438 1.00 1.00 C ATOM 1028 O PRO A 71 19.657 3.290 -3.592 1.00 1.00 O ATOM 1029 CB PRO A 71 18.846 5.412 -1.982 1.00 1.00 C ATOM 1030 CG PRO A 71 19.986 6.061 -1.213 1.00 1.00 C ATOM 1031 CD PRO A 71 20.328 5.158 -0.039 1.00 1.00 C ATOM 0 HA PRO A 71 17.723 3.667 -1.376 1.00 1.00 H new ATOM 0 HB2 PRO A 71 19.036 5.435 -3.055 1.00 1.00 H new ATOM 0 HB3 PRO A 71 17.909 5.942 -1.813 1.00 1.00 H new ATOM 0 HG2 PRO A 71 20.855 6.194 -1.858 1.00 1.00 H new ATOM 0 HG3 PRO A 71 19.695 7.051 -0.861 1.00 1.00 H new ATOM 0 HD2 PRO A 71 21.381 4.877 -0.050 1.00 1.00 H new ATOM 0 HD3 PRO A 71 20.141 5.657 0.912 1.00 1.00 H new ATOM 1039 N GLY A 72 19.582 1.761 -1.928 1.00 1.00 N ATOM 1040 CA GLY A 72 20.164 0.697 -2.729 1.00 1.00 C ATOM 1041 C GLY A 72 19.714 -0.676 -2.227 1.00 1.00 C ATOM 1042 O GLY A 72 19.393 -1.558 -3.022 1.00 1.00 O ATOM 0 H GLY A 72 19.352 1.497 -0.970 1.00 1.00 H new ATOM 0 HA2 GLY A 72 19.872 0.821 -3.772 1.00 1.00 H new ATOM 0 HA3 GLY A 72 21.251 0.763 -2.693 1.00 1.00 H new ATOM 1046 N ILE A 73 19.705 -0.814 -0.908 1.00 1.00 N ATOM 1047 CA ILE A 73 19.300 -2.066 -0.291 1.00 1.00 C ATOM 1048 C ILE A 73 18.030 -2.579 -0.973 1.00 1.00 C ATOM 1049 O ILE A 73 17.325 -1.817 -1.633 1.00 1.00 O ATOM 1050 CB ILE A 73 19.158 -1.895 1.223 1.00 1.00 C ATOM 1051 CG1 ILE A 73 19.225 -3.248 1.936 1.00 1.00 C ATOM 1052 CG2 ILE A 73 17.883 -1.125 1.572 1.00 1.00 C ATOM 1053 CD1 ILE A 73 19.491 -3.065 3.432 1.00 1.00 C ATOM 0 H ILE A 73 19.971 -0.081 -0.251 1.00 1.00 H new ATOM 0 HA ILE A 73 20.068 -2.826 -0.433 1.00 1.00 H new ATOM 0 HB ILE A 73 19.999 -1.301 1.580 1.00 1.00 H new ATOM 0 HG12 ILE A 73 18.288 -3.786 1.792 1.00 1.00 H new ATOM 0 HG13 ILE A 73 20.013 -3.858 1.494 1.00 1.00 H new ATOM 0 HG21 ILE A 73 17.807 -1.018 2.654 1.00 1.00 H new ATOM 0 HG22 ILE A 73 17.917 -0.138 1.111 1.00 1.00 H new ATOM 0 HG23 ILE A 73 17.015 -1.670 1.200 1.00 1.00 H new ATOM 0 HD11 ILE A 73 19.534 -4.041 3.916 1.00 1.00 H new ATOM 0 HD12 ILE A 73 20.440 -2.548 3.572 1.00 1.00 H new ATOM 0 HD13 ILE A 73 18.688 -2.476 3.875 1.00 1.00 H new ATOM 1065 N SER A 74 17.776 -3.867 -0.789 1.00 1.00 N ATOM 1066 CA SER A 74 16.604 -4.490 -1.379 1.00 1.00 C ATOM 1067 C SER A 74 15.550 -4.747 -0.299 1.00 1.00 C ATOM 1068 O SER A 74 15.744 -4.390 0.862 1.00 1.00 O ATOM 1069 CB SER A 74 16.971 -5.796 -2.085 1.00 1.00 C ATOM 1070 OG SER A 74 18.378 -5.932 -2.257 1.00 1.00 O ATOM 0 H SER A 74 18.362 -4.495 -0.240 1.00 1.00 H new ATOM 0 HA SER A 74 16.193 -3.810 -2.125 1.00 1.00 H new ATOM 0 HB2 SER A 74 16.593 -6.639 -1.507 1.00 1.00 H new ATOM 0 HB3 SER A 74 16.482 -5.832 -3.058 1.00 1.00 H new ATOM 0 HG SER A 74 18.563 -6.683 -2.858 1.00 1.00 H new ATOM 1076 N PRO A 75 14.428 -5.382 -0.732 1.00 1.00 N ATOM 1077 CA PRO A 75 13.343 -5.692 0.185 1.00 1.00 C ATOM 1078 C PRO A 75 13.707 -6.875 1.085 1.00 1.00 C ATOM 1079 O PRO A 75 13.949 -6.699 2.278 1.00 1.00 O ATOM 1080 CB PRO A 75 12.144 -5.971 -0.706 1.00 1.00 C ATOM 1081 CG PRO A 75 12.708 -6.262 -2.087 1.00 1.00 C ATOM 1082 CD PRO A 75 14.163 -5.821 -2.098 1.00 1.00 C ATOM 0 HA PRO A 75 13.129 -4.876 0.875 1.00 1.00 H new ATOM 0 HB2 PRO A 75 11.569 -6.818 -0.333 1.00 1.00 H new ATOM 0 HB3 PRO A 75 11.470 -5.115 -0.732 1.00 1.00 H new ATOM 0 HG2 PRO A 75 12.629 -7.325 -2.315 1.00 1.00 H new ATOM 0 HG3 PRO A 75 12.142 -5.729 -2.851 1.00 1.00 H new ATOM 0 HD2 PRO A 75 14.823 -6.640 -2.386 1.00 1.00 H new ATOM 0 HD3 PRO A 75 14.327 -5.014 -2.812 1.00 1.00 H new ATOM 1090 N GLU A 76 13.735 -8.052 0.479 1.00 1.00 N ATOM 1091 CA GLU A 76 14.065 -9.264 1.211 1.00 1.00 C ATOM 1092 C GLU A 76 15.478 -9.166 1.788 1.00 1.00 C ATOM 1093 O GLU A 76 15.869 -9.979 2.624 1.00 1.00 O ATOM 1094 CB GLU A 76 13.920 -10.498 0.320 1.00 1.00 C ATOM 1095 CG GLU A 76 12.467 -10.977 0.277 1.00 1.00 C ATOM 1096 CD GLU A 76 12.385 -12.497 0.422 1.00 1.00 C ATOM 1097 OE1 GLU A 76 13.049 -13.182 -0.386 1.00 1.00 O ATOM 1098 OE2 GLU A 76 11.661 -12.941 1.339 1.00 1.00 O ATOM 0 H GLU A 76 13.535 -8.193 -0.511 1.00 1.00 H new ATOM 0 HA GLU A 76 13.363 -9.370 2.038 1.00 1.00 H new ATOM 0 HB2 GLU A 76 14.259 -10.264 -0.689 1.00 1.00 H new ATOM 0 HB3 GLU A 76 14.559 -11.298 0.694 1.00 1.00 H new ATOM 0 HG2 GLU A 76 11.900 -10.501 1.077 1.00 1.00 H new ATOM 0 HG3 GLU A 76 12.008 -10.673 -0.664 1.00 1.00 H new ATOM 1105 N ASP A 77 16.206 -8.164 1.320 1.00 1.00 N ATOM 1106 CA ASP A 77 17.567 -7.949 1.778 1.00 1.00 C ATOM 1107 C ASP A 77 17.550 -7.029 3.001 1.00 1.00 C ATOM 1108 O ASP A 77 18.114 -7.363 4.042 1.00 1.00 O ATOM 1109 CB ASP A 77 18.416 -7.280 0.695 1.00 1.00 C ATOM 1110 CG ASP A 77 18.531 -8.065 -0.612 1.00 1.00 C ATOM 1111 OD1 ASP A 77 17.540 -8.744 -0.956 1.00 1.00 O ATOM 1112 OD2 ASP A 77 19.609 -7.968 -1.239 1.00 1.00 O ATOM 0 H ASP A 77 15.878 -7.491 0.627 1.00 1.00 H new ATOM 0 HA ASP A 77 17.996 -8.921 2.023 1.00 1.00 H new ATOM 0 HB2 ASP A 77 17.993 -6.300 0.477 1.00 1.00 H new ATOM 0 HB3 ASP A 77 19.418 -7.114 1.091 1.00 1.00 H new ATOM 1117 N CYS A 78 16.897 -5.888 2.834 1.00 1.00 N ATOM 1118 CA CYS A 78 16.799 -4.918 3.910 1.00 1.00 C ATOM 1119 C CYS A 78 16.374 -5.653 5.183 1.00 1.00 C ATOM 1120 O CYS A 78 17.090 -5.637 6.183 1.00 1.00 O ATOM 1121 CB CYS A 78 15.838 -3.780 3.561 1.00 1.00 C ATOM 1122 SG CYS A 78 15.616 -2.530 4.879 1.00 1.00 S ATOM 0 H CYS A 78 16.431 -5.614 1.969 1.00 1.00 H new ATOM 0 HA CYS A 78 17.770 -4.449 4.069 1.00 1.00 H new ATOM 0 HB2 CYS A 78 16.201 -3.280 2.663 1.00 1.00 H new ATOM 0 HB3 CYS A 78 14.865 -4.207 3.317 1.00 1.00 H new ATOM 1127 N ALA A 79 15.209 -6.281 5.105 1.00 1.00 N ATOM 1128 CA ALA A 79 14.679 -7.021 6.237 1.00 1.00 C ATOM 1129 C ALA A 79 15.690 -8.088 6.660 1.00 1.00 C ATOM 1130 O ALA A 79 15.937 -8.277 7.851 1.00 1.00 O ATOM 1131 CB ALA A 79 13.321 -7.618 5.866 1.00 1.00 C ATOM 0 H ALA A 79 14.617 -6.292 4.274 1.00 1.00 H new ATOM 0 HA ALA A 79 14.522 -6.360 7.089 1.00 1.00 H new ATOM 0 HB1 ALA A 79 12.923 -8.173 6.715 1.00 1.00 H new ATOM 0 HB2 ALA A 79 12.631 -6.817 5.601 1.00 1.00 H new ATOM 0 HB3 ALA A 79 13.439 -8.290 5.016 1.00 1.00 H new ATOM 1137 N ALA A 80 16.248 -8.758 5.663 1.00 1.00 N ATOM 1138 CA ALA A 80 17.226 -9.801 5.917 1.00 1.00 C ATOM 1139 C ALA A 80 18.611 -9.170 6.071 1.00 1.00 C ATOM 1140 O ALA A 80 19.618 -9.877 6.117 1.00 1.00 O ATOM 1141 CB ALA A 80 17.178 -10.833 4.789 1.00 1.00 C ATOM 0 H ALA A 80 16.041 -8.599 4.677 1.00 1.00 H new ATOM 0 HA ALA A 80 16.996 -10.323 6.846 1.00 1.00 H new ATOM 0 HB1 ALA A 80 17.912 -11.616 4.980 1.00 1.00 H new ATOM 0 HB2 ALA A 80 16.182 -11.274 4.741 1.00 1.00 H new ATOM 0 HB3 ALA A 80 17.405 -10.346 3.841 1.00 1.00 H new ATOM 1147 N ARG A 81 18.618 -7.848 6.146 1.00 1.00 N ATOM 1148 CA ARG A 81 19.864 -7.113 6.293 1.00 1.00 C ATOM 1149 C ARG A 81 19.901 -6.399 7.646 1.00 1.00 C ATOM 1150 O ARG A 81 20.909 -6.449 8.350 1.00 1.00 O ATOM 1151 CB ARG A 81 20.031 -6.082 5.175 1.00 1.00 C ATOM 1152 CG ARG A 81 20.633 -6.724 3.924 1.00 1.00 C ATOM 1153 CD ARG A 81 22.160 -6.764 4.010 1.00 1.00 C ATOM 1154 NE ARG A 81 22.627 -8.167 4.070 1.00 1.00 N ATOM 1155 CZ ARG A 81 22.445 -9.063 3.090 1.00 1.00 C ATOM 1156 NH1 ARG A 81 21.806 -8.707 1.967 1.00 1.00 N ATOM 1157 NH2 ARG A 81 22.902 -10.314 3.233 1.00 1.00 N ATOM 0 H ARG A 81 17.781 -7.266 6.108 1.00 1.00 H new ATOM 0 HA ARG A 81 20.682 -7.831 6.234 1.00 1.00 H new ATOM 0 HB2 ARG A 81 19.063 -5.643 4.933 1.00 1.00 H new ATOM 0 HB3 ARG A 81 20.673 -5.270 5.517 1.00 1.00 H new ATOM 0 HG2 ARG A 81 20.245 -7.736 3.807 1.00 1.00 H new ATOM 0 HG3 ARG A 81 20.329 -6.162 3.041 1.00 1.00 H new ATOM 0 HD2 ARG A 81 22.594 -6.264 3.144 1.00 1.00 H new ATOM 0 HD3 ARG A 81 22.497 -6.222 4.893 1.00 1.00 H new ATOM 0 HE ARG A 81 23.118 -8.471 4.910 1.00 1.00 H new ATOM 0 HH11 ARG A 81 21.458 -7.754 1.858 1.00 1.00 H new ATOM 0 HH12 ARG A 81 21.667 -9.389 1.221 1.00 1.00 H new ATOM 0 HH21 ARG A 81 23.388 -10.585 4.088 1.00 1.00 H new ATOM 0 HH22 ARG A 81 22.763 -10.996 2.487 1.00 1.00 H new ATOM 1171 N ASN A 82 18.792 -5.750 7.968 1.00 1.00 N ATOM 1172 CA ASN A 82 18.685 -5.028 9.224 1.00 1.00 C ATOM 1173 C ASN A 82 17.782 -3.808 9.030 1.00 1.00 C ATOM 1174 O ASN A 82 18.127 -2.886 8.293 1.00 1.00 O ATOM 1175 CB ASN A 82 20.055 -4.531 9.691 1.00 1.00 C ATOM 1176 CG ASN A 82 20.850 -3.939 8.526 1.00 1.00 C ATOM 1177 OD1 ASN A 82 22.167 -4.094 8.635 1.00 1.00 O flip ATOM 1178 ND2 ASN A 82 20.305 -3.379 7.589 1.00 1.00 N flip ATOM 0 H ASN A 82 17.959 -5.709 7.380 1.00 1.00 H new ATOM 0 HA ASN A 82 18.273 -5.708 9.970 1.00 1.00 H new ATOM 0 HB2 ASN A 82 19.927 -3.778 10.468 1.00 1.00 H new ATOM 0 HB3 ASN A 82 20.613 -5.355 10.135 1.00 1.00 H new ATOM 0 HD21 ASN A 82 19.289 -3.294 7.567 1.00 1.00 H new ATOM 0 HD22 ASN A 82 20.866 -2.996 6.828 1.00 1.00 H new ATOM 1185 N CYS A 83 16.641 -3.843 9.704 1.00 1.00 N ATOM 1186 CA CYS A 83 15.685 -2.753 9.616 1.00 1.00 C ATOM 1187 C CYS A 83 14.473 -3.241 8.821 1.00 1.00 C ATOM 1188 O CYS A 83 14.573 -4.196 8.052 1.00 1.00 O ATOM 1189 CB CYS A 83 16.310 -1.502 8.994 1.00 1.00 C ATOM 1190 SG CYS A 83 17.746 -0.826 9.906 1.00 1.00 S ATOM 0 H CYS A 83 16.358 -4.610 10.314 1.00 1.00 H new ATOM 0 HA CYS A 83 15.368 -2.461 10.617 1.00 1.00 H new ATOM 0 HB2 CYS A 83 16.622 -1.737 7.976 1.00 1.00 H new ATOM 0 HB3 CYS A 83 15.546 -0.728 8.923 1.00 1.00 H new ATOM 1195 N CYS A 84 13.355 -2.562 9.033 1.00 1.00 N ATOM 1196 CA CYS A 84 12.124 -2.914 8.346 1.00 1.00 C ATOM 1197 C CYS A 84 12.191 -2.357 6.922 1.00 1.00 C ATOM 1198 O CYS A 84 12.999 -1.474 6.636 1.00 1.00 O ATOM 1199 CB CYS A 84 10.891 -2.409 9.098 1.00 1.00 C ATOM 1200 SG CYS A 84 10.658 -3.133 10.763 1.00 1.00 S ATOM 0 H CYS A 84 13.276 -1.770 9.671 1.00 1.00 H new ATOM 0 HA CYS A 84 12.025 -3.999 8.307 1.00 1.00 H new ATOM 0 HB2 CYS A 84 10.960 -1.326 9.195 1.00 1.00 H new ATOM 0 HB3 CYS A 84 10.005 -2.620 8.498 1.00 1.00 H new ATOM 1205 N PHE A 85 11.334 -2.898 6.068 1.00 1.00 N ATOM 1206 CA PHE A 85 11.287 -2.465 4.682 1.00 1.00 C ATOM 1207 C PHE A 85 9.843 -2.374 4.185 1.00 1.00 C ATOM 1208 O PHE A 85 9.234 -3.389 3.847 1.00 1.00 O ATOM 1209 CB PHE A 85 12.032 -3.518 3.860 1.00 1.00 C ATOM 1210 CG PHE A 85 12.176 -3.164 2.378 1.00 1.00 C ATOM 1211 CD1 PHE A 85 11.132 -3.359 1.528 1.00 1.00 C ATOM 1212 CD2 PHE A 85 13.347 -2.655 1.911 1.00 1.00 C ATOM 1213 CE1 PHE A 85 11.266 -3.030 0.153 1.00 1.00 C ATOM 1214 CE2 PHE A 85 13.480 -2.326 0.536 1.00 1.00 C ATOM 1215 CZ PHE A 85 12.436 -2.521 -0.314 1.00 1.00 C ATOM 0 H PHE A 85 10.667 -3.632 6.309 1.00 1.00 H new ATOM 0 HA PHE A 85 11.739 -1.478 4.584 1.00 1.00 H new ATOM 0 HB2 PHE A 85 13.025 -3.662 4.287 1.00 1.00 H new ATOM 0 HB3 PHE A 85 11.507 -4.469 3.946 1.00 1.00 H new ATOM 0 HD1 PHE A 85 10.202 -3.764 1.899 1.00 1.00 H new ATOM 0 HD2 PHE A 85 14.176 -2.501 2.586 1.00 1.00 H new ATOM 0 HE1 PHE A 85 10.437 -3.185 -0.522 1.00 1.00 H new ATOM 0 HE2 PHE A 85 14.410 -1.921 0.165 1.00 1.00 H new ATOM 0 HZ PHE A 85 12.537 -2.271 -1.360 1.00 1.00 H new ATOM 1225 N SER A 86 9.337 -1.151 4.156 1.00 1.00 N ATOM 1226 CA SER A 86 7.975 -0.915 3.706 1.00 1.00 C ATOM 1227 C SER A 86 7.962 0.173 2.630 1.00 1.00 C ATOM 1228 O SER A 86 7.744 1.346 2.932 1.00 1.00 O ATOM 1229 CB SER A 86 7.070 -0.519 4.874 1.00 1.00 C ATOM 1230 OG SER A 86 5.745 -0.220 4.444 1.00 1.00 O ATOM 0 H SER A 86 9.845 -0.312 4.437 1.00 1.00 H new ATOM 0 HA SER A 86 7.589 -1.842 3.282 1.00 1.00 H new ATOM 0 HB2 SER A 86 7.041 -1.330 5.601 1.00 1.00 H new ATOM 0 HB3 SER A 86 7.491 0.349 5.381 1.00 1.00 H new ATOM 0 HG SER A 86 5.332 0.409 5.071 1.00 1.00 H new ATOM 1236 N ASP A 87 8.196 -0.254 1.398 1.00 1.00 N ATOM 1237 CA ASP A 87 8.212 0.670 0.277 1.00 1.00 C ATOM 1238 C ASP A 87 6.789 1.159 0.002 1.00 1.00 C ATOM 1239 O ASP A 87 6.591 2.123 -0.734 1.00 1.00 O ATOM 1240 CB ASP A 87 8.731 -0.013 -0.991 1.00 1.00 C ATOM 1241 CG ASP A 87 7.744 -0.970 -1.660 1.00 1.00 C ATOM 1242 OD1 ASP A 87 7.255 -1.872 -0.946 1.00 1.00 O ATOM 1243 OD2 ASP A 87 7.498 -0.779 -2.871 1.00 1.00 O ATOM 0 H ASP A 87 8.376 -1.227 1.151 1.00 1.00 H new ATOM 0 HA ASP A 87 8.869 1.501 0.535 1.00 1.00 H new ATOM 0 HB2 ASP A 87 9.013 0.756 -1.710 1.00 1.00 H new ATOM 0 HB3 ASP A 87 9.638 -0.565 -0.743 1.00 1.00 H new ATOM 1248 N THR A 88 5.834 0.469 0.609 1.00 1.00 N ATOM 1249 CA THR A 88 4.434 0.820 0.439 1.00 1.00 C ATOM 1250 C THR A 88 4.276 2.337 0.314 1.00 1.00 C ATOM 1251 O THR A 88 3.419 2.817 -0.426 1.00 1.00 O ATOM 1252 CB THR A 88 3.651 0.222 1.609 1.00 1.00 C ATOM 1253 OG1 THR A 88 2.295 0.558 1.328 1.00 1.00 O ATOM 1254 CG2 THR A 88 3.943 0.932 2.933 1.00 1.00 C ATOM 0 H THR A 88 6.002 -0.331 1.219 1.00 1.00 H new ATOM 0 HA THR A 88 4.032 0.405 -0.485 1.00 1.00 H new ATOM 0 HB THR A 88 3.893 -0.837 1.703 1.00 1.00 H new ATOM 0 HG1 THR A 88 1.717 0.207 2.037 1.00 1.00 H new ATOM 0 HG21 THR A 88 3.362 0.469 3.730 1.00 1.00 H new ATOM 0 HG22 THR A 88 5.005 0.850 3.163 1.00 1.00 H new ATOM 0 HG23 THR A 88 3.670 1.984 2.850 1.00 1.00 H new ATOM 1262 N ILE A 89 5.117 3.050 1.049 1.00 1.00 N ATOM 1263 CA ILE A 89 5.082 4.502 1.030 1.00 1.00 C ATOM 1264 C ILE A 89 6.309 5.028 0.283 1.00 1.00 C ATOM 1265 O ILE A 89 7.400 5.101 0.847 1.00 1.00 O ATOM 1266 CB ILE A 89 4.944 5.054 2.451 1.00 1.00 C ATOM 1267 CG1 ILE A 89 3.599 4.660 3.064 1.00 1.00 C ATOM 1268 CG2 ILE A 89 5.163 6.568 2.475 1.00 1.00 C ATOM 1269 CD1 ILE A 89 2.517 4.549 1.987 1.00 1.00 C ATOM 0 H ILE A 89 5.827 2.649 1.662 1.00 1.00 H new ATOM 0 HA ILE A 89 4.204 4.854 0.489 1.00 1.00 H new ATOM 0 HB ILE A 89 5.723 4.606 3.068 1.00 1.00 H new ATOM 0 HG12 ILE A 89 3.698 3.708 3.585 1.00 1.00 H new ATOM 0 HG13 ILE A 89 3.303 5.401 3.807 1.00 1.00 H new ATOM 0 HG21 ILE A 89 5.059 6.934 3.496 1.00 1.00 H new ATOM 0 HG22 ILE A 89 6.163 6.797 2.107 1.00 1.00 H new ATOM 0 HG23 ILE A 89 4.423 7.053 1.839 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.571 4.268 2.449 1.00 1.00 H new ATOM 0 HD12 ILE A 89 2.404 5.510 1.485 1.00 1.00 H new ATOM 0 HD13 ILE A 89 2.805 3.790 1.259 1.00 1.00 H new ATOM 1281 N PRO A 90 6.084 5.391 -1.008 1.00 1.00 N ATOM 1282 CA PRO A 90 7.158 5.909 -1.839 1.00 1.00 C ATOM 1283 C PRO A 90 7.501 7.350 -1.456 1.00 1.00 C ATOM 1284 O PRO A 90 6.624 8.211 -1.419 1.00 1.00 O ATOM 1285 CB PRO A 90 6.652 5.777 -3.265 1.00 1.00 C ATOM 1286 CG PRO A 90 5.142 5.627 -3.159 1.00 1.00 C ATOM 1287 CD PRO A 90 4.805 5.320 -1.709 1.00 1.00 C ATOM 0 HA PRO A 90 8.091 5.360 -1.711 1.00 1.00 H new ATOM 0 HB2 PRO A 90 6.917 6.654 -3.856 1.00 1.00 H new ATOM 0 HB3 PRO A 90 7.097 4.913 -3.759 1.00 1.00 H new ATOM 0 HG2 PRO A 90 4.644 6.541 -3.481 1.00 1.00 H new ATOM 0 HG3 PRO A 90 4.791 4.826 -3.810 1.00 1.00 H new ATOM 0 HD2 PRO A 90 4.093 6.040 -1.307 1.00 1.00 H new ATOM 0 HD3 PRO A 90 4.352 4.334 -1.608 1.00 1.00 H new ATOM 1295 N GLU A 91 8.779 7.568 -1.182 1.00 1.00 N ATOM 1296 CA GLU A 91 9.248 8.890 -0.804 1.00 1.00 C ATOM 1297 C GLU A 91 9.640 8.911 0.674 1.00 1.00 C ATOM 1298 O GLU A 91 9.792 9.980 1.265 1.00 1.00 O ATOM 1299 CB GLU A 91 8.192 9.954 -1.107 1.00 1.00 C ATOM 1300 CG GLU A 91 7.200 10.088 0.050 1.00 1.00 C ATOM 1301 CD GLU A 91 5.893 10.730 -0.419 1.00 1.00 C ATOM 1302 OE1 GLU A 91 5.938 11.403 -1.472 1.00 1.00 O ATOM 1303 OE2 GLU A 91 4.880 10.533 0.286 1.00 1.00 O ATOM 0 H GLU A 91 9.504 6.851 -1.214 1.00 1.00 H new ATOM 0 HA GLU A 91 10.132 9.124 -1.397 1.00 1.00 H new ATOM 0 HB2 GLU A 91 8.678 10.913 -1.287 1.00 1.00 H new ATOM 0 HB3 GLU A 91 7.658 9.691 -2.020 1.00 1.00 H new ATOM 0 HG2 GLU A 91 6.995 9.105 0.473 1.00 1.00 H new ATOM 0 HG3 GLU A 91 7.641 10.691 0.844 1.00 1.00 H new ATOM 1310 N VAL A 92 9.793 7.719 1.231 1.00 1.00 N ATOM 1311 CA VAL A 92 10.164 7.588 2.630 1.00 1.00 C ATOM 1312 C VAL A 92 11.215 6.485 2.772 1.00 1.00 C ATOM 1313 O VAL A 92 11.448 5.719 1.838 1.00 1.00 O ATOM 1314 CB VAL A 92 8.917 7.338 3.481 1.00 1.00 C ATOM 1315 CG1 VAL A 92 7.809 8.335 3.134 1.00 1.00 C ATOM 1316 CG2 VAL A 92 8.427 5.897 3.327 1.00 1.00 C ATOM 0 H VAL A 92 9.667 6.835 0.739 1.00 1.00 H new ATOM 0 HA VAL A 92 10.610 8.513 2.995 1.00 1.00 H new ATOM 0 HB VAL A 92 9.188 7.488 4.526 1.00 1.00 H new ATOM 0 HG11 VAL A 92 6.934 8.136 3.752 1.00 1.00 H new ATOM 0 HG12 VAL A 92 8.161 9.350 3.319 1.00 1.00 H new ATOM 0 HG13 VAL A 92 7.542 8.230 2.083 1.00 1.00 H new ATOM 0 HG21 VAL A 92 7.540 5.747 3.942 1.00 1.00 H new ATOM 0 HG22 VAL A 92 8.181 5.706 2.282 1.00 1.00 H new ATOM 0 HG23 VAL A 92 9.211 5.210 3.646 1.00 1.00 H new ATOM 1326 N PRO A 93 11.838 6.438 3.981 1.00 1.00 N ATOM 1327 CA PRO A 93 12.859 5.441 4.258 1.00 1.00 C ATOM 1328 C PRO A 93 12.233 4.064 4.488 1.00 1.00 C ATOM 1329 O PRO A 93 11.978 3.676 5.627 1.00 1.00 O ATOM 1330 CB PRO A 93 13.601 5.967 5.475 1.00 1.00 C ATOM 1331 CG PRO A 93 12.680 6.995 6.113 1.00 1.00 C ATOM 1332 CD PRO A 93 11.588 7.328 5.110 1.00 1.00 C ATOM 0 HA PRO A 93 13.544 5.296 3.422 1.00 1.00 H new ATOM 0 HB2 PRO A 93 13.829 5.161 6.172 1.00 1.00 H new ATOM 0 HB3 PRO A 93 14.551 6.418 5.188 1.00 1.00 H new ATOM 0 HG2 PRO A 93 12.247 6.601 7.032 1.00 1.00 H new ATOM 0 HG3 PRO A 93 13.238 7.892 6.382 1.00 1.00 H new ATOM 0 HD2 PRO A 93 10.597 7.162 5.533 1.00 1.00 H new ATOM 0 HD3 PRO A 93 11.634 8.374 4.807 1.00 1.00 H new ATOM 1340 N TRP A 94 12.004 3.363 3.387 1.00 1.00 N ATOM 1341 CA TRP A 94 11.411 2.038 3.455 1.00 1.00 C ATOM 1342 C TRP A 94 12.163 1.238 4.520 1.00 1.00 C ATOM 1343 O TRP A 94 11.562 0.460 5.258 1.00 1.00 O ATOM 1344 CB TRP A 94 11.422 1.362 2.082 1.00 1.00 C ATOM 1345 CG TRP A 94 10.863 2.233 0.955 1.00 1.00 C ATOM 1346 CD1 TRP A 94 10.145 3.359 1.062 1.00 1.00 C ATOM 1347 CD2 TRP A 94 11.007 2.002 -0.462 1.00 1.00 C ATOM 1348 NE1 TRP A 94 9.816 3.869 -0.177 1.00 1.00 N ATOM 1349 CE2 TRP A 94 10.357 3.017 -1.134 1.00 1.00 C ATOM 1350 CE3 TRP A 94 11.663 0.969 -1.154 1.00 1.00 C ATOM 1351 CZ2 TRP A 94 10.300 3.099 -2.530 1.00 1.00 C ATOM 1352 CZ3 TRP A 94 11.597 1.065 -2.549 1.00 1.00 C ATOM 1353 CH2 TRP A 94 10.947 2.080 -3.240 1.00 1.00 C ATOM 0 H TRP A 94 12.218 3.687 2.444 1.00 1.00 H new ATOM 0 HA TRP A 94 10.361 2.099 3.742 1.00 1.00 H new ATOM 0 HB2 TRP A 94 12.446 1.080 1.836 1.00 1.00 H new ATOM 0 HB3 TRP A 94 10.842 0.441 2.137 1.00 1.00 H new ATOM 0 HD1 TRP A 94 9.860 3.811 2.000 1.00 1.00 H new ATOM 0 HE1 TRP A 94 9.276 4.715 -0.358 1.00 1.00 H new ATOM 0 HE3 TRP A 94 12.177 0.165 -0.649 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 9.785 3.904 -3.032 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 12.086 0.296 -3.129 1.00 1.00 H new ATOM 0 HH2 TRP A 94 10.941 2.083 -4.320 1.00 1.00 H new ATOM 1364 N CYS A 95 13.470 1.456 4.567 1.00 1.00 N ATOM 1365 CA CYS A 95 14.311 0.766 5.530 1.00 1.00 C ATOM 1366 C CYS A 95 14.401 1.626 6.793 1.00 1.00 C ATOM 1367 O CYS A 95 15.310 2.446 6.926 1.00 1.00 O ATOM 1368 CB CYS A 95 15.692 0.453 4.953 1.00 1.00 C ATOM 1369 SG CYS A 95 15.692 -0.741 3.565 1.00 1.00 S ATOM 0 H CYS A 95 13.967 2.101 3.953 1.00 1.00 H new ATOM 0 HA CYS A 95 13.867 -0.198 5.779 1.00 1.00 H new ATOM 0 HB2 CYS A 95 16.148 1.383 4.614 1.00 1.00 H new ATOM 0 HB3 CYS A 95 16.323 0.061 5.751 1.00 1.00 H new ATOM 1374 N PHE A 96 13.448 1.410 7.687 1.00 1.00 N ATOM 1375 CA PHE A 96 13.409 2.156 8.934 1.00 1.00 C ATOM 1376 C PHE A 96 13.698 1.243 10.127 1.00 1.00 C ATOM 1377 O PHE A 96 13.808 0.027 9.972 1.00 1.00 O ATOM 1378 CB PHE A 96 11.995 2.723 9.072 1.00 1.00 C ATOM 1379 CG PHE A 96 10.887 1.715 8.762 1.00 1.00 C ATOM 1380 CD1 PHE A 96 10.537 1.463 7.472 1.00 1.00 C ATOM 1381 CD2 PHE A 96 10.251 1.071 9.777 1.00 1.00 C ATOM 1382 CE1 PHE A 96 9.509 0.527 7.185 1.00 1.00 C ATOM 1383 CE2 PHE A 96 9.222 0.134 9.489 1.00 1.00 C ATOM 1384 CZ PHE A 96 8.873 -0.117 8.200 1.00 1.00 C ATOM 0 H PHE A 96 12.697 0.729 7.573 1.00 1.00 H new ATOM 0 HA PHE A 96 14.163 2.943 8.921 1.00 1.00 H new ATOM 0 HB2 PHE A 96 11.861 3.094 10.088 1.00 1.00 H new ATOM 0 HB3 PHE A 96 11.891 3.578 8.404 1.00 1.00 H new ATOM 0 HD1 PHE A 96 11.041 1.975 6.666 1.00 1.00 H new ATOM 0 HD2 PHE A 96 10.528 1.272 10.801 1.00 1.00 H new ATOM 0 HE1 PHE A 96 9.232 0.326 6.161 1.00 1.00 H new ATOM 0 HE2 PHE A 96 8.717 -0.379 10.295 1.00 1.00 H new ATOM 0 HZ PHE A 96 8.090 -0.828 7.981 1.00 1.00 H new ATOM 1394 N PHE A 97 13.813 1.864 11.292 1.00 1.00 N ATOM 1395 CA PHE A 97 14.087 1.122 12.512 1.00 1.00 C ATOM 1396 C PHE A 97 12.794 0.824 13.274 1.00 1.00 C ATOM 1397 O PHE A 97 12.048 1.739 13.619 1.00 1.00 O ATOM 1398 CB PHE A 97 14.985 2.006 13.379 1.00 1.00 C ATOM 1399 CG PHE A 97 16.342 2.325 12.747 1.00 1.00 C ATOM 1400 CD1 PHE A 97 17.260 1.337 12.573 1.00 1.00 C ATOM 1401 CD2 PHE A 97 16.630 3.596 12.361 1.00 1.00 C ATOM 1402 CE1 PHE A 97 18.519 1.632 11.987 1.00 1.00 C ATOM 1403 CE2 PHE A 97 17.888 3.892 11.774 1.00 1.00 C ATOM 1404 CZ PHE A 97 18.806 2.904 11.600 1.00 1.00 C ATOM 0 H PHE A 97 13.722 2.872 11.417 1.00 1.00 H new ATOM 0 HA PHE A 97 14.562 0.171 12.272 1.00 1.00 H new ATOM 0 HB2 PHE A 97 14.464 2.941 13.588 1.00 1.00 H new ATOM 0 HB3 PHE A 97 15.149 1.511 14.336 1.00 1.00 H new ATOM 0 HD1 PHE A 97 17.031 0.327 12.881 1.00 1.00 H new ATOM 0 HD2 PHE A 97 15.901 4.381 12.501 1.00 1.00 H new ATOM 0 HE1 PHE A 97 19.248 0.847 11.849 1.00 1.00 H new ATOM 0 HE2 PHE A 97 18.116 4.902 11.466 1.00 1.00 H new ATOM 0 HZ PHE A 97 19.764 3.129 11.154 1.00 1.00 H new ATOM 1414 N PRO A 98 12.563 -0.493 13.522 1.00 1.00 N ATOM 1415 CA PRO A 98 11.374 -0.923 14.237 1.00 1.00 C ATOM 1416 C PRO A 98 11.498 -0.628 15.733 1.00 1.00 C ATOM 1417 O PRO A 98 12.260 -1.288 16.438 1.00 1.00 O ATOM 1418 CB PRO A 98 11.246 -2.407 13.933 1.00 1.00 C ATOM 1419 CG PRO A 98 12.616 -2.851 13.444 1.00 1.00 C ATOM 1420 CD PRO A 98 13.425 -1.604 13.129 1.00 1.00 C ATOM 0 HA PRO A 98 10.478 -0.388 13.923 1.00 1.00 H new ATOM 0 HB2 PRO A 98 10.949 -2.964 14.822 1.00 1.00 H new ATOM 0 HB3 PRO A 98 10.484 -2.586 13.175 1.00 1.00 H new ATOM 0 HG2 PRO A 98 13.117 -3.449 14.205 1.00 1.00 H new ATOM 0 HG3 PRO A 98 12.520 -3.478 12.557 1.00 1.00 H new ATOM 0 HD2 PRO A 98 14.364 -1.591 13.682 1.00 1.00 H new ATOM 0 HD3 PRO A 98 13.678 -1.553 12.070 1.00 1.00 H new ATOM 1428 N MET A 99 10.738 0.364 16.173 1.00 1.00 N ATOM 1429 CA MET A 99 10.752 0.755 17.573 1.00 1.00 C ATOM 1430 C MET A 99 9.954 2.041 17.791 1.00 1.00 C ATOM 1431 O MET A 99 9.961 2.932 16.944 1.00 1.00 O ATOM 1432 CB MET A 99 12.198 0.966 18.028 1.00 1.00 C ATOM 1433 CG MET A 99 12.248 1.727 19.355 1.00 1.00 C ATOM 1434 SD MET A 99 12.288 3.485 19.050 1.00 1.00 S ATOM 1435 CE MET A 99 12.033 4.092 20.710 1.00 1.00 C ATOM 0 H MET A 99 10.108 0.909 15.585 1.00 1.00 H new ATOM 0 HA MET A 99 10.289 -0.040 18.159 1.00 1.00 H new ATOM 0 HB2 MET A 99 12.693 0.001 18.139 1.00 1.00 H new ATOM 0 HB3 MET A 99 12.746 1.520 17.266 1.00 1.00 H new ATOM 0 HG2 MET A 99 11.378 1.475 19.961 1.00 1.00 H new ATOM 0 HG3 MET A 99 13.129 1.428 19.922 1.00 1.00 H new ATOM 0 HE1 MET A 99 12.030 5.182 20.702 1.00 1.00 H new ATOM 0 HE2 MET A 99 11.077 3.729 21.087 1.00 1.00 H new ATOM 0 HE3 MET A 99 12.836 3.736 21.355 1.00 1.00 H new ATOM 1445 N SER A 100 9.284 2.096 18.934 1.00 1.00 N ATOM 1446 CA SER A 100 8.481 3.259 19.274 1.00 1.00 C ATOM 1447 C SER A 100 7.383 2.865 20.265 1.00 1.00 C ATOM 1448 O SER A 100 7.014 1.695 20.355 1.00 1.00 O ATOM 1449 CB SER A 100 7.866 3.890 18.023 1.00 1.00 C ATOM 1450 OG SER A 100 8.684 4.930 17.493 1.00 1.00 O ATOM 0 H SER A 100 9.281 1.355 19.635 1.00 1.00 H new ATOM 0 HA SER A 100 9.132 4.000 19.738 1.00 1.00 H new ATOM 0 HB2 SER A 100 7.719 3.122 17.264 1.00 1.00 H new ATOM 0 HB3 SER A 100 6.882 4.291 18.265 1.00 1.00 H new ATOM 0 HG SER A 100 9.521 4.548 17.156 1.00 1.00 H new ATOM 1456 N VAL A 101 6.892 3.865 20.982 1.00 1.00 N ATOM 1457 CA VAL A 101 5.845 3.638 21.963 1.00 1.00 C ATOM 1458 C VAL A 101 4.973 2.465 21.509 1.00 1.00 C ATOM 1459 O VAL A 101 5.288 1.308 21.787 1.00 1.00 O ATOM 1460 CB VAL A 101 5.048 4.924 22.185 1.00 1.00 C ATOM 1461 CG1 VAL A 101 5.740 5.829 23.206 1.00 1.00 C ATOM 1462 CG2 VAL A 101 4.818 5.662 20.864 1.00 1.00 C ATOM 0 H VAL A 101 7.200 4.834 20.903 1.00 1.00 H new ATOM 0 HA VAL A 101 6.277 3.369 22.927 1.00 1.00 H new ATOM 0 HB VAL A 101 4.074 4.649 22.588 1.00 1.00 H new ATOM 0 HG11 VAL A 101 5.152 6.736 23.345 1.00 1.00 H new ATOM 0 HG12 VAL A 101 5.828 5.304 24.157 1.00 1.00 H new ATOM 0 HG13 VAL A 101 6.734 6.092 22.844 1.00 1.00 H new ATOM 0 HG21 VAL A 101 4.249 6.573 21.050 1.00 1.00 H new ATOM 0 HG22 VAL A 101 5.779 5.919 20.419 1.00 1.00 H new ATOM 0 HG23 VAL A 101 4.262 5.020 20.181 1.00 1.00 H new ATOM 1472 N GLU A 102 3.895 2.804 20.817 1.00 1.00 N ATOM 1473 CA GLU A 102 2.976 1.794 20.322 1.00 1.00 C ATOM 1474 C GLU A 102 1.836 1.576 21.320 1.00 1.00 C ATOM 1475 O GLU A 102 1.208 0.520 21.329 1.00 1.00 O ATOM 1476 CB GLU A 102 3.706 0.482 20.030 1.00 1.00 C ATOM 1477 CG GLU A 102 3.603 -0.479 21.217 1.00 1.00 C ATOM 1478 CD GLU A 102 4.819 -1.405 21.281 1.00 1.00 C ATOM 1479 OE1 GLU A 102 5.078 -2.074 20.258 1.00 1.00 O ATOM 1480 OE2 GLU A 102 5.464 -1.422 22.352 1.00 1.00 O ATOM 0 H GLU A 102 3.638 3.764 20.588 1.00 1.00 H new ATOM 0 HA GLU A 102 2.549 2.150 19.385 1.00 1.00 H new ATOM 0 HB2 GLU A 102 3.281 0.015 19.142 1.00 1.00 H new ATOM 0 HB3 GLU A 102 4.754 0.686 19.812 1.00 1.00 H new ATOM 0 HG2 GLU A 102 3.525 0.089 22.144 1.00 1.00 H new ATOM 0 HG3 GLU A 102 2.693 -1.073 21.130 1.00 1.00 H new ATOM 1487 N ASP A 103 1.607 2.594 22.137 1.00 1.00 N ATOM 1488 CA ASP A 103 0.555 2.528 23.138 1.00 1.00 C ATOM 1489 C ASP A 103 -0.796 2.355 22.441 1.00 1.00 C ATOM 1490 O ASP A 103 -1.822 2.194 23.100 1.00 1.00 O ATOM 1491 CB ASP A 103 0.500 3.813 23.965 1.00 1.00 C ATOM 1492 CG ASP A 103 1.491 3.877 25.129 1.00 1.00 C ATOM 1493 OD1 ASP A 103 1.341 3.043 26.049 1.00 1.00 O ATOM 1494 OD2 ASP A 103 2.376 4.757 25.072 1.00 1.00 O ATOM 0 H ASP A 103 2.132 3.469 22.126 1.00 1.00 H new ATOM 0 HA ASP A 103 0.768 1.685 23.796 1.00 1.00 H new ATOM 0 HB2 ASP A 103 0.684 4.660 23.304 1.00 1.00 H new ATOM 0 HB3 ASP A 103 -0.509 3.930 24.360 1.00 1.00 H new ATOM 1499 N CYS A 104 -0.752 2.396 21.118 1.00 1.00 N ATOM 1500 CA CYS A 104 -1.960 2.247 20.324 1.00 1.00 C ATOM 1501 C CYS A 104 -2.851 1.201 20.998 1.00 1.00 C ATOM 1502 O CYS A 104 -2.358 0.199 21.514 1.00 1.00 O ATOM 1503 CB CYS A 104 -1.642 1.876 18.874 1.00 1.00 C ATOM 1504 SG CYS A 104 -0.126 2.649 18.200 1.00 1.00 S ATOM 0 H CYS A 104 0.101 2.530 20.575 1.00 1.00 H new ATOM 0 HA CYS A 104 -2.488 3.199 20.279 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -1.543 0.793 18.804 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -2.487 2.160 18.247 1.00 1.00 H new ATOM 1509 N HIS A 105 -4.148 1.470 20.971 1.00 1.00 N ATOM 1510 CA HIS A 105 -5.113 0.564 21.573 1.00 1.00 C ATOM 1511 C HIS A 105 -6.345 0.455 20.672 1.00 1.00 C ATOM 1512 O HIS A 105 -6.234 0.536 19.450 1.00 1.00 O ATOM 1513 CB HIS A 105 -5.456 1.005 22.996 1.00 1.00 C ATOM 1514 CG HIS A 105 -6.356 2.216 23.064 1.00 1.00 C ATOM 1515 ND1 HIS A 105 -6.127 3.362 22.321 1.00 1.00 N ATOM 1516 CD2 HIS A 105 -7.485 2.448 23.792 1.00 1.00 C ATOM 1517 CE1 HIS A 105 -7.082 4.238 22.598 1.00 1.00 C ATOM 1518 NE2 HIS A 105 -7.923 3.670 23.511 1.00 1.00 N ATOM 0 H HIS A 105 -4.554 2.302 20.542 1.00 1.00 H new ATOM 0 HA HIS A 105 -4.679 -0.432 21.658 1.00 1.00 H new ATOM 0 HB2 HIS A 105 -5.938 0.177 23.516 1.00 1.00 H new ATOM 0 HB3 HIS A 105 -4.531 1.222 23.531 1.00 1.00 H new ATOM 0 HD2 HIS A 105 -7.945 1.755 24.481 1.00 1.00 H new ATOM 0 HE1 HIS A 105 -7.178 5.227 22.176 1.00 1.00 H new ATOM 0 HE2 HIS A 105 -8.751 4.111 23.911 1.00 1.00 H new ATOM 1526 N TYR A 106 -7.490 0.271 21.311 1.00 1.00 N ATOM 1527 CA TYR A 106 -8.742 0.150 20.583 1.00 1.00 C ATOM 1528 C TYR A 106 -9.867 0.903 21.296 1.00 1.00 C ATOM 1529 O TYR A 106 -10.579 1.692 20.678 1.00 1.00 O ATOM 1530 CB TYR A 106 -9.077 -1.344 20.565 1.00 1.00 C ATOM 1531 CG TYR A 106 -7.905 -2.238 20.153 1.00 1.00 C ATOM 1532 CD1 TYR A 106 -7.050 -1.836 19.147 1.00 1.00 C ATOM 1533 CD2 TYR A 106 -7.703 -3.446 20.789 1.00 1.00 C ATOM 1534 CE1 TYR A 106 -5.948 -2.678 18.760 1.00 1.00 C ATOM 1535 CE2 TYR A 106 -6.601 -4.288 20.402 1.00 1.00 C ATOM 1536 CZ TYR A 106 -5.778 -3.863 19.406 1.00 1.00 C ATOM 1537 OH TYR A 106 -4.737 -4.657 19.041 1.00 1.00 O ATOM 0 H TYR A 106 -7.578 0.203 22.325 1.00 1.00 H new ATOM 0 HA TYR A 106 -8.645 0.570 19.582 1.00 1.00 H new ATOM 0 HB2 TYR A 106 -9.417 -1.642 21.557 1.00 1.00 H new ATOM 0 HB3 TYR A 106 -9.908 -1.512 19.879 1.00 1.00 H new ATOM 0 HD1 TYR A 106 -7.207 -0.890 18.650 1.00 1.00 H new ATOM 0 HD2 TYR A 106 -8.372 -3.760 21.577 1.00 1.00 H new ATOM 0 HE1 TYR A 106 -5.271 -2.376 17.974 1.00 1.00 H new ATOM 0 HE2 TYR A 106 -6.432 -5.236 20.892 1.00 1.00 H new ATOM 0 HH TYR A 106 -4.237 -4.928 19.839 1.00 1.00 H new TER 1547 TYR A 106