USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 635 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 82 HIS : no HE2:sc= -2.86! C(o=-2.8!,f=-5!) USER MOD Set 1.2: A 92 SER OG : rot 121:sc= 0.0996 USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.019 (180deg=-0.185) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 141:sc= -2.08 (180deg=-5.61!) USER MOD Single : A 54 LYS NZ :NH3+ -165:sc=-0.00499 (180deg=-0.0976) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 0.154 (180deg=0.14) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 151:sc= -0.566 (180deg=-2.01!) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 42:sc= 0.263 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -154:sc= 0 (180deg=-0.96) USER MOD Single : A 108 LYS NZ :NH3+ 170:sc= 0.207 (180deg=0.183) USER MOD Single : A 109 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0363) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 77:sc= 0.0168 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 45 11.275 8.330 9.823 1.00 0.00 N ATOM 84 CA LYS A 45 10.288 7.859 8.859 1.00 0.00 C ATOM 85 C LYS A 45 10.372 8.655 7.561 1.00 0.00 C ATOM 86 O LYS A 45 10.227 8.102 6.470 1.00 0.00 O ATOM 87 CB LYS A 45 8.879 7.968 9.446 1.00 0.00 C ATOM 88 CG LYS A 45 8.711 7.233 10.765 1.00 0.00 C ATOM 89 CD LYS A 45 8.806 5.728 10.581 1.00 0.00 C ATOM 90 CE LYS A 45 9.331 5.046 11.835 1.00 0.00 C ATOM 91 NZ LYS A 45 10.781 5.314 12.046 1.00 0.00 N ATOM 0 HA LYS A 45 10.503 6.814 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.636 9.020 9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.163 7.573 8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.477 7.564 11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.746 7.487 11.203 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.823 5.328 10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.463 5.504 9.741 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.768 5.394 12.701 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.168 3.971 11.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.175 4.603 12.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.279 5.265 11.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.903 6.262 12.457 1.00 0.00 H new ATOM 105 N VAL A 46 10.608 9.957 7.685 1.00 0.00 N ATOM 106 CA VAL A 46 10.715 10.830 6.521 1.00 0.00 C ATOM 107 C VAL A 46 11.338 10.096 5.340 1.00 0.00 C ATOM 108 O VAL A 46 10.723 9.968 4.282 1.00 0.00 O ATOM 109 CB VAL A 46 11.554 12.083 6.834 1.00 0.00 C ATOM 110 CG1 VAL A 46 11.758 12.916 5.578 1.00 0.00 C ATOM 111 CG2 VAL A 46 10.893 12.907 7.929 1.00 0.00 C ATOM 0 H VAL A 46 10.729 10.431 8.580 1.00 0.00 H new ATOM 0 HA VAL A 46 9.702 11.137 6.261 1.00 0.00 H new ATOM 0 HB VAL A 46 12.533 11.764 7.192 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.353 13.797 5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.278 12.321 4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.790 13.228 5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.499 13.788 8.137 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.901 13.218 7.602 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.804 12.306 8.834 1.00 0.00 H new ATOM 121 N GLU A 47 12.563 9.615 5.528 1.00 0.00 N ATOM 122 CA GLU A 47 13.270 8.893 4.476 1.00 0.00 C ATOM 123 C GLU A 47 12.312 8.006 3.687 1.00 0.00 C ATOM 124 O GLU A 47 12.160 8.161 2.475 1.00 0.00 O ATOM 125 CB GLU A 47 14.393 8.044 5.076 1.00 0.00 C ATOM 126 CG GLU A 47 15.588 8.858 5.543 1.00 0.00 C ATOM 127 CD GLU A 47 16.595 8.026 6.314 1.00 0.00 C ATOM 128 OE1 GLU A 47 16.598 6.789 6.143 1.00 0.00 O ATOM 129 OE2 GLU A 47 17.380 8.613 7.088 1.00 0.00 O ATOM 0 H GLU A 47 13.086 9.712 6.398 1.00 0.00 H new ATOM 0 HA GLU A 47 13.703 9.626 3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.998 7.478 5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.726 7.319 4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.078 9.306 4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.241 9.677 6.173 1.00 0.00 H new ATOM 136 N PHE A 48 11.669 7.074 4.383 1.00 0.00 N ATOM 137 CA PHE A 48 10.727 6.159 3.748 1.00 0.00 C ATOM 138 C PHE A 48 9.693 6.926 2.929 1.00 0.00 C ATOM 139 O PHE A 48 9.484 6.641 1.749 1.00 0.00 O ATOM 140 CB PHE A 48 10.025 5.303 4.804 1.00 0.00 C ATOM 141 CG PHE A 48 9.001 4.365 4.230 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.393 3.238 3.526 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.648 4.609 4.397 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.453 2.374 2.996 1.00 0.00 C ATOM 145 CE2 PHE A 48 6.703 3.749 3.871 1.00 0.00 C ATOM 146 CZ PHE A 48 7.107 2.629 3.170 1.00 0.00 C ATOM 0 H PHE A 48 11.783 6.932 5.387 1.00 0.00 H new ATOM 0 HA PHE A 48 11.287 5.508 3.076 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.772 4.724 5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.541 5.958 5.528 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.444 3.032 3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.327 5.483 4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.771 1.500 2.446 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.651 3.952 4.008 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.371 1.954 2.759 1.00 0.00 H new ATOM 156 N ARG A 49 9.049 7.901 3.563 1.00 0.00 N ATOM 157 CA ARG A 49 8.036 8.708 2.894 1.00 0.00 C ATOM 158 C ARG A 49 8.468 9.054 1.472 1.00 0.00 C ATOM 159 O ARG A 49 7.747 8.786 0.510 1.00 0.00 O ATOM 160 CB ARG A 49 7.771 9.990 3.685 1.00 0.00 C ATOM 161 CG ARG A 49 6.475 10.685 3.302 1.00 0.00 C ATOM 162 CD ARG A 49 5.920 11.503 4.457 1.00 0.00 C ATOM 163 NE ARG A 49 5.041 12.575 3.997 1.00 0.00 N ATOM 164 CZ ARG A 49 5.482 13.745 3.547 1.00 0.00 C ATOM 165 NH1 ARG A 49 6.784 13.991 3.497 1.00 0.00 N ATOM 166 NH2 ARG A 49 4.620 14.670 3.145 1.00 0.00 N ATOM 0 H ARG A 49 9.211 8.151 4.539 1.00 0.00 H new ATOM 0 HA ARG A 49 7.117 8.124 2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.745 9.752 4.748 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.602 10.679 3.533 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.649 11.335 2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.739 9.942 2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.370 10.848 5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.745 11.930 5.028 1.00 0.00 H new ATOM 0 HE ARG A 49 4.034 12.417 4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.449 13.281 3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.120 14.890 3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.618 14.483 3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.959 15.568 2.800 1.00 0.00 H new ATOM 180 N LYS A 50 9.648 9.651 1.346 1.00 0.00 N ATOM 181 CA LYS A 50 10.178 10.034 0.043 1.00 0.00 C ATOM 182 C LYS A 50 10.279 8.823 -0.880 1.00 0.00 C ATOM 183 O LYS A 50 9.779 8.845 -2.005 1.00 0.00 O ATOM 184 CB LYS A 50 11.553 10.685 0.200 1.00 0.00 C ATOM 185 CG LYS A 50 11.514 12.025 0.915 1.00 0.00 C ATOM 186 CD LYS A 50 12.909 12.590 1.118 1.00 0.00 C ATOM 187 CE LYS A 50 12.863 14.047 1.553 1.00 0.00 C ATOM 188 NZ LYS A 50 14.087 14.788 1.142 1.00 0.00 N ATOM 0 H LYS A 50 10.256 9.880 2.132 1.00 0.00 H new ATOM 0 HA LYS A 50 9.492 10.753 -0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.206 10.008 0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.996 10.822 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.916 12.729 0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.024 11.908 1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.435 12.001 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.476 12.504 0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.985 14.527 1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.754 14.099 2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.017 15.777 1.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.923 14.345 1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.178 14.760 0.106 1.00 0.00 H new ATOM 202 N ARG A 51 10.928 7.769 -0.396 1.00 0.00 N ATOM 203 CA ARG A 51 11.094 6.550 -1.178 1.00 0.00 C ATOM 204 C ARG A 51 9.754 6.067 -1.724 1.00 0.00 C ATOM 205 O ARG A 51 9.664 5.613 -2.865 1.00 0.00 O ATOM 206 CB ARG A 51 11.734 5.454 -0.324 1.00 0.00 C ATOM 207 CG ARG A 51 12.276 4.288 -1.134 1.00 0.00 C ATOM 208 CD ARG A 51 12.784 3.172 -0.234 1.00 0.00 C ATOM 209 NE ARG A 51 13.493 2.142 -0.988 1.00 0.00 N ATOM 210 CZ ARG A 51 13.960 1.023 -0.443 1.00 0.00 C ATOM 211 NH1 ARG A 51 13.792 0.792 0.852 1.00 0.00 N ATOM 212 NH2 ARG A 51 14.595 0.133 -1.195 1.00 0.00 N ATOM 0 H ARG A 51 11.347 7.735 0.533 1.00 0.00 H new ATOM 0 HA ARG A 51 11.749 6.775 -2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.546 5.888 0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.995 5.080 0.385 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.493 3.902 -1.787 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.085 4.635 -1.777 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.449 3.590 0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.944 2.721 0.294 1.00 0.00 H new ATOM 0 HE ARG A 51 13.638 2.289 -1.987 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.303 1.474 1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.151 -0.067 1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.725 0.307 -2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.953 -0.725 -0.776 1.00 0.00 H new ATOM 226 N MET A 52 8.715 6.168 -0.902 1.00 0.00 N ATOM 227 CA MET A 52 7.379 5.742 -1.303 1.00 0.00 C ATOM 228 C MET A 52 6.830 6.641 -2.406 1.00 0.00 C ATOM 229 O MET A 52 6.246 6.161 -3.377 1.00 0.00 O ATOM 230 CB MET A 52 6.434 5.755 -0.100 1.00 0.00 C ATOM 231 CG MET A 52 6.768 4.706 0.948 1.00 0.00 C ATOM 232 SD MET A 52 6.818 3.037 0.268 1.00 0.00 S ATOM 233 CE MET A 52 8.572 2.850 -0.042 1.00 0.00 C ATOM 0 H MET A 52 8.772 6.541 0.046 1.00 0.00 H new ATOM 0 HA MET A 52 7.449 4.725 -1.689 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.463 6.741 0.363 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.414 5.596 -0.449 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.733 4.941 1.397 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.027 4.747 1.746 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.880 1.835 0.210 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.778 3.041 -1.095 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.127 3.560 0.570 1.00 0.00 H new ATOM 243 N GLU A 53 7.021 7.947 -2.249 1.00 0.00 N ATOM 244 CA GLU A 53 6.543 8.912 -3.232 1.00 0.00 C ATOM 245 C GLU A 53 7.063 8.571 -4.626 1.00 0.00 C ATOM 246 O GLU A 53 6.331 8.659 -5.612 1.00 0.00 O ATOM 247 CB GLU A 53 6.980 10.327 -2.845 1.00 0.00 C ATOM 248 CG GLU A 53 6.328 10.837 -1.571 1.00 0.00 C ATOM 249 CD GLU A 53 6.563 12.319 -1.349 1.00 0.00 C ATOM 250 OE1 GLU A 53 7.724 12.761 -1.475 1.00 0.00 O ATOM 251 OE2 GLU A 53 5.586 13.037 -1.049 1.00 0.00 O ATOM 0 H GLU A 53 7.503 8.361 -1.451 1.00 0.00 H new ATOM 0 HA GLU A 53 5.454 8.867 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.063 10.343 -2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.743 11.008 -3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.256 10.645 -1.614 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.718 10.279 -0.719 1.00 0.00 H new ATOM 258 N LYS A 54 8.331 8.182 -4.699 1.00 0.00 N ATOM 259 CA LYS A 54 8.950 7.827 -5.970 1.00 0.00 C ATOM 260 C LYS A 54 8.341 6.547 -6.534 1.00 0.00 C ATOM 261 O LYS A 54 7.969 6.491 -7.706 1.00 0.00 O ATOM 262 CB LYS A 54 10.460 7.650 -5.794 1.00 0.00 C ATOM 263 CG LYS A 54 11.209 7.475 -7.103 1.00 0.00 C ATOM 264 CD LYS A 54 11.558 8.814 -7.730 1.00 0.00 C ATOM 265 CE LYS A 54 12.726 8.691 -8.696 1.00 0.00 C ATOM 266 NZ LYS A 54 14.020 8.510 -7.981 1.00 0.00 N ATOM 0 H LYS A 54 8.950 8.105 -3.892 1.00 0.00 H new ATOM 0 HA LYS A 54 8.764 8.638 -6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.860 8.518 -5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.644 6.782 -5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.122 6.906 -6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.600 6.895 -7.797 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.689 9.207 -8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.807 9.530 -6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.558 7.845 -9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.777 9.584 -9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.807 8.683 -8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.076 9.182 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.082 7.538 -7.616 1.00 0.00 H new ATOM 280 N GLU A 55 8.240 5.524 -5.691 1.00 0.00 N ATOM 281 CA GLU A 55 7.674 4.246 -6.107 1.00 0.00 C ATOM 282 C GLU A 55 6.230 4.415 -6.570 1.00 0.00 C ATOM 283 O GLU A 55 5.886 4.078 -7.703 1.00 0.00 O ATOM 284 CB GLU A 55 7.739 3.237 -4.959 1.00 0.00 C ATOM 285 CG GLU A 55 9.080 2.532 -4.842 1.00 0.00 C ATOM 286 CD GLU A 55 9.305 1.520 -5.949 1.00 0.00 C ATOM 287 OE1 GLU A 55 8.854 0.365 -5.798 1.00 0.00 O ATOM 288 OE2 GLU A 55 9.932 1.883 -6.966 1.00 0.00 O ATOM 0 H GLU A 55 8.542 5.555 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 55 8.264 3.872 -6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.526 3.752 -4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.957 2.491 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.879 3.273 -4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.139 2.029 -3.877 1.00 0.00 H new ATOM 295 N VAL A 56 5.388 4.938 -5.684 1.00 0.00 N ATOM 296 CA VAL A 56 3.981 5.153 -6.000 1.00 0.00 C ATOM 297 C VAL A 56 3.821 5.849 -7.347 1.00 0.00 C ATOM 298 O VAL A 56 3.206 5.310 -8.267 1.00 0.00 O ATOM 299 CB VAL A 56 3.284 5.993 -4.914 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.840 6.275 -5.302 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.355 5.288 -3.568 1.00 0.00 C ATOM 0 H VAL A 56 5.656 5.221 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 56 3.512 4.170 -6.044 1.00 0.00 H new ATOM 0 HB VAL A 56 3.805 6.947 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.363 6.870 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.817 6.824 -6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.304 5.333 -5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.858 5.896 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.860 4.319 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.398 5.143 -3.288 1.00 0.00 H new ATOM 311 N SER A 57 4.379 7.051 -7.456 1.00 0.00 N ATOM 312 CA SER A 57 4.295 7.823 -8.690 1.00 0.00 C ATOM 313 C SER A 57 4.640 6.957 -9.898 1.00 0.00 C ATOM 314 O SER A 57 3.835 6.806 -10.817 1.00 0.00 O ATOM 315 CB SER A 57 5.236 9.029 -8.627 1.00 0.00 C ATOM 316 OG SER A 57 4.832 10.038 -9.536 1.00 0.00 O ATOM 0 H SER A 57 4.894 7.511 -6.705 1.00 0.00 H new ATOM 0 HA SER A 57 3.270 8.176 -8.799 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.249 9.432 -7.614 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.253 8.713 -8.858 1.00 0.00 H new ATOM 0 HG SER A 57 5.448 10.798 -9.476 1.00 0.00 H new ATOM 322 N ASP A 58 5.842 6.392 -9.888 1.00 0.00 N ATOM 323 CA ASP A 58 6.295 5.540 -10.981 1.00 0.00 C ATOM 324 C ASP A 58 5.198 4.567 -11.402 1.00 0.00 C ATOM 325 O ASP A 58 4.958 4.364 -12.592 1.00 0.00 O ATOM 326 CB ASP A 58 7.549 4.767 -10.568 1.00 0.00 C ATOM 327 CG ASP A 58 8.448 4.449 -11.747 1.00 0.00 C ATOM 328 OD1 ASP A 58 8.716 5.365 -12.552 1.00 0.00 O ATOM 329 OD2 ASP A 58 8.884 3.285 -11.863 1.00 0.00 O ATOM 0 H ASP A 58 6.520 6.509 -9.135 1.00 0.00 H new ATOM 0 HA ASP A 58 6.535 6.179 -11.831 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.107 5.351 -9.836 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.255 3.839 -10.078 1.00 0.00 H new ATOM 334 N PHE A 59 4.537 3.967 -10.418 1.00 0.00 N ATOM 335 CA PHE A 59 3.467 3.013 -10.686 1.00 0.00 C ATOM 336 C PHE A 59 2.281 3.701 -11.357 1.00 0.00 C ATOM 337 O PHE A 59 1.717 3.186 -12.323 1.00 0.00 O ATOM 338 CB PHE A 59 3.014 2.343 -9.387 1.00 0.00 C ATOM 339 CG PHE A 59 1.614 1.804 -9.447 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.525 2.648 -9.290 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.385 0.454 -9.659 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.765 2.155 -9.345 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.098 -0.044 -9.715 1.00 0.00 C ATOM 344 CZ PHE A 59 -0.979 0.807 -9.557 1.00 0.00 C ATOM 0 H PHE A 59 4.723 4.124 -9.428 1.00 0.00 H new ATOM 0 HA PHE A 59 3.854 2.252 -11.363 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.698 1.528 -9.150 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.082 3.064 -8.573 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.687 3.703 -9.123 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.223 -0.217 -9.782 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.605 2.823 -9.222 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.067 -1.098 -9.882 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.986 0.419 -9.599 1.00 0.00 H new ATOM 354 N ILE A 60 1.909 4.866 -10.838 1.00 0.00 N ATOM 355 CA ILE A 60 0.792 5.624 -11.386 1.00 0.00 C ATOM 356 C ILE A 60 0.968 5.858 -12.882 1.00 0.00 C ATOM 357 O ILE A 60 0.133 5.447 -13.687 1.00 0.00 O ATOM 358 CB ILE A 60 0.634 6.984 -10.680 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.389 6.780 -9.183 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.504 7.776 -11.305 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.431 8.064 -8.384 1.00 0.00 C ATOM 0 H ILE A 60 2.365 5.305 -10.038 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.106 5.030 -11.217 1.00 0.00 H new ATOM 0 HB ILE A 60 1.556 7.551 -10.805 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.583 6.306 -9.043 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.138 6.093 -8.791 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.603 8.734 -10.795 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.292 7.947 -12.360 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.434 7.215 -11.208 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.249 7.844 -7.332 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.411 8.529 -8.494 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.337 8.746 -8.750 1.00 0.00 H new ATOM 373 N GLN A 61 2.061 6.520 -13.247 1.00 0.00 N ATOM 374 CA GLN A 61 2.347 6.808 -14.648 1.00 0.00 C ATOM 375 C GLN A 61 2.389 5.524 -15.470 1.00 0.00 C ATOM 376 O GLN A 61 1.854 5.466 -16.577 1.00 0.00 O ATOM 377 CB GLN A 61 3.677 7.553 -14.776 1.00 0.00 C ATOM 378 CG GLN A 61 3.732 8.841 -13.970 1.00 0.00 C ATOM 379 CD GLN A 61 4.856 9.758 -14.412 1.00 0.00 C ATOM 380 OE1 GLN A 61 5.822 9.318 -15.036 1.00 0.00 O ATOM 381 NE2 GLN A 61 4.736 11.040 -14.089 1.00 0.00 N ATOM 0 H GLN A 61 2.763 6.867 -12.593 1.00 0.00 H new ATOM 0 HA GLN A 61 1.546 7.439 -15.034 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.485 6.896 -14.452 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.855 7.783 -15.826 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.781 9.366 -14.065 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.859 8.600 -12.915 1.00 0.00 H new ATOM 0 HE21 GLN A 61 3.918 11.361 -13.571 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.462 11.704 -14.359 1.00 0.00 H new ATOM 390 N ASP A 62 3.029 4.497 -14.921 1.00 0.00 N ATOM 391 CA ASP A 62 3.141 3.213 -15.604 1.00 0.00 C ATOM 392 C ASP A 62 1.761 2.642 -15.916 1.00 0.00 C ATOM 393 O ASP A 62 1.029 2.233 -15.014 1.00 0.00 O ATOM 394 CB ASP A 62 3.935 2.224 -14.748 1.00 0.00 C ATOM 395 CG ASP A 62 5.427 2.310 -15.000 1.00 0.00 C ATOM 396 OD1 ASP A 62 5.843 2.150 -16.167 1.00 0.00 O ATOM 397 OD2 ASP A 62 6.180 2.536 -14.029 1.00 0.00 O ATOM 0 H ASP A 62 3.478 4.529 -14.006 1.00 0.00 H new ATOM 0 HA ASP A 62 3.669 3.373 -16.544 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.735 2.418 -13.694 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.592 1.211 -14.956 1.00 0.00 H new ATOM 402 N SER A 63 1.412 2.618 -17.198 1.00 0.00 N ATOM 403 CA SER A 63 0.119 2.101 -17.629 1.00 0.00 C ATOM 404 C SER A 63 -0.009 0.616 -17.303 1.00 0.00 C ATOM 405 O SER A 63 -0.959 0.193 -16.646 1.00 0.00 O ATOM 406 CB SER A 63 -0.069 2.323 -19.131 1.00 0.00 C ATOM 407 OG SER A 63 -1.441 2.445 -19.461 1.00 0.00 O ATOM 0 H SER A 63 2.007 2.951 -17.957 1.00 0.00 H new ATOM 0 HA SER A 63 -0.658 2.642 -17.089 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.463 3.223 -19.438 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.368 1.490 -19.682 1.00 0.00 H new ATOM 0 HG SER A 63 -1.534 2.588 -20.426 1.00 0.00 H new ATOM 413 N GLY A 64 0.956 -0.171 -17.768 1.00 0.00 N ATOM 414 CA GLY A 64 0.934 -1.600 -17.517 1.00 0.00 C ATOM 415 C GLY A 64 0.608 -1.930 -16.074 1.00 0.00 C ATOM 416 O GLY A 64 -0.124 -2.880 -15.798 1.00 0.00 O ATOM 0 H GLY A 64 1.753 0.156 -18.314 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.197 -2.069 -18.169 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.904 -2.026 -17.774 1.00 0.00 H new ATOM 420 N GLN A 65 1.154 -1.145 -15.151 1.00 0.00 N ATOM 421 CA GLN A 65 0.919 -1.361 -13.728 1.00 0.00 C ATOM 422 C GLN A 65 -0.496 -0.945 -13.341 1.00 0.00 C ATOM 423 O GLN A 65 -0.892 0.204 -13.538 1.00 0.00 O ATOM 424 CB GLN A 65 1.938 -0.579 -12.897 1.00 0.00 C ATOM 425 CG GLN A 65 3.383 -0.905 -13.242 1.00 0.00 C ATOM 426 CD GLN A 65 3.933 -2.056 -12.423 1.00 0.00 C ATOM 427 OE1 GLN A 65 3.472 -3.192 -12.540 1.00 0.00 O ATOM 428 NE2 GLN A 65 4.924 -1.768 -11.588 1.00 0.00 N ATOM 0 H GLN A 65 1.762 -0.354 -15.363 1.00 0.00 H new ATOM 0 HA GLN A 65 1.034 -2.426 -13.524 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.770 0.488 -13.042 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.769 -0.787 -11.840 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.453 -1.152 -14.301 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.000 -0.021 -13.079 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.275 -0.812 -11.523 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.334 -2.502 -11.011 1.00 0.00 H new ATOM 437 N ILE A 66 -1.254 -1.888 -12.790 1.00 0.00 N ATOM 438 CA ILE A 66 -2.625 -1.618 -12.375 1.00 0.00 C ATOM 439 C ILE A 66 -2.776 -1.740 -10.863 1.00 0.00 C ATOM 440 O ILE A 66 -3.649 -1.114 -10.262 1.00 0.00 O ATOM 441 CB ILE A 66 -3.618 -2.578 -13.057 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.314 -4.025 -12.665 1.00 0.00 C ATOM 443 CG2 ILE A 66 -3.564 -2.410 -14.568 1.00 0.00 C ATOM 444 CD1 ILE A 66 -4.529 -4.927 -12.693 1.00 0.00 C ATOM 0 H ILE A 66 -0.942 -2.844 -12.621 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.851 -0.596 -12.679 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.626 -2.335 -12.720 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.559 -4.425 -13.342 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.884 -4.039 -11.663 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.271 -3.095 -15.036 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.825 -1.385 -14.830 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.557 -2.630 -14.923 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.239 -5.937 -12.404 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.277 -4.551 -11.995 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.947 -4.943 -13.700 1.00 0.00 H new ATOM 456 N LYS A 67 -1.917 -2.549 -10.252 1.00 0.00 N ATOM 457 CA LYS A 67 -1.951 -2.751 -8.808 1.00 0.00 C ATOM 458 C LYS A 67 -0.577 -3.159 -8.284 1.00 0.00 C ATOM 459 O LYS A 67 0.195 -3.817 -8.981 1.00 0.00 O ATOM 460 CB LYS A 67 -2.984 -3.820 -8.446 1.00 0.00 C ATOM 461 CG LYS A 67 -2.550 -5.231 -8.801 1.00 0.00 C ATOM 462 CD LYS A 67 -3.471 -6.270 -8.184 1.00 0.00 C ATOM 463 CE LYS A 67 -3.037 -7.683 -8.542 1.00 0.00 C ATOM 464 NZ LYS A 67 -3.627 -8.695 -7.622 1.00 0.00 N ATOM 0 H LYS A 67 -1.189 -3.076 -10.734 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.234 -1.808 -8.341 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.187 -3.770 -7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.920 -3.597 -8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.542 -5.348 -9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.530 -5.397 -8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.478 -6.154 -7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.492 -6.103 -8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.335 -7.906 -9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.950 -7.749 -8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.307 -9.645 -7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.322 -8.498 -6.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.665 -8.650 -7.676 1.00 0.00 H new ATOM 478 N LYS A 68 -0.279 -2.765 -7.050 1.00 0.00 N ATOM 479 CA LYS A 68 1.000 -3.091 -6.430 1.00 0.00 C ATOM 480 C LYS A 68 0.813 -3.470 -4.965 1.00 0.00 C ATOM 481 O LYS A 68 -0.033 -2.906 -4.269 1.00 0.00 O ATOM 482 CB LYS A 68 1.961 -1.906 -6.543 1.00 0.00 C ATOM 483 CG LYS A 68 3.344 -2.189 -5.980 1.00 0.00 C ATOM 484 CD LYS A 68 4.283 -1.013 -6.190 1.00 0.00 C ATOM 485 CE LYS A 68 5.733 -1.465 -6.272 1.00 0.00 C ATOM 486 NZ LYS A 68 6.200 -2.063 -4.990 1.00 0.00 N ATOM 0 H LYS A 68 -0.906 -2.219 -6.459 1.00 0.00 H new ATOM 0 HA LYS A 68 1.424 -3.946 -6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.055 -1.624 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.533 -1.051 -6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.266 -2.408 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.758 -3.076 -6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.012 -0.489 -7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.168 -0.303 -5.371 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.841 -2.195 -7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.365 -0.614 -6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.218 -2.265 -5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.026 -1.395 -4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.682 -2.947 -4.810 1.00 0.00 H new ATOM 500 N LYS A 69 1.608 -4.428 -4.500 1.00 0.00 N ATOM 501 CA LYS A 69 1.532 -4.882 -3.116 1.00 0.00 C ATOM 502 C LYS A 69 2.885 -4.746 -2.425 1.00 0.00 C ATOM 503 O LYS A 69 3.879 -5.327 -2.863 1.00 0.00 O ATOM 504 CB LYS A 69 1.063 -6.337 -3.060 1.00 0.00 C ATOM 505 CG LYS A 69 1.108 -6.937 -1.665 1.00 0.00 C ATOM 506 CD LYS A 69 1.087 -8.455 -1.710 1.00 0.00 C ATOM 507 CE LYS A 69 1.214 -9.056 -0.318 1.00 0.00 C ATOM 508 NZ LYS A 69 1.524 -10.512 -0.369 1.00 0.00 N ATOM 0 H LYS A 69 2.313 -4.905 -5.062 1.00 0.00 H new ATOM 0 HA LYS A 69 0.811 -4.254 -2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.043 -6.396 -3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.685 -6.936 -3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.009 -6.600 -1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.258 -6.577 -1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.159 -8.794 -2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.903 -8.813 -2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.999 -8.537 0.232 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.285 -8.901 0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.603 -10.884 0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.763 -11.012 -0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.423 -10.658 -0.870 1.00 0.00 H new ATOM 522 N PHE A 70 2.917 -3.976 -1.342 1.00 0.00 N ATOM 523 CA PHE A 70 4.148 -3.765 -0.590 1.00 0.00 C ATOM 524 C PHE A 70 4.291 -4.800 0.522 1.00 0.00 C ATOM 525 O PHE A 70 3.352 -5.538 0.820 1.00 0.00 O ATOM 526 CB PHE A 70 4.172 -2.355 0.005 1.00 0.00 C ATOM 527 CG PHE A 70 4.307 -1.272 -1.027 1.00 0.00 C ATOM 528 CD1 PHE A 70 3.190 -0.770 -1.674 1.00 0.00 C ATOM 529 CD2 PHE A 70 5.552 -0.755 -1.349 1.00 0.00 C ATOM 530 CE1 PHE A 70 3.312 0.226 -2.625 1.00 0.00 C ATOM 531 CE2 PHE A 70 5.680 0.241 -2.298 1.00 0.00 C ATOM 532 CZ PHE A 70 4.558 0.733 -2.936 1.00 0.00 C ATOM 0 H PHE A 70 2.104 -3.488 -0.966 1.00 0.00 H new ATOM 0 HA PHE A 70 4.987 -3.877 -1.277 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.256 -2.193 0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.001 -2.280 0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.213 -1.161 -1.433 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.432 -1.135 -0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.433 0.607 -3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.656 0.634 -2.541 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.655 1.513 -3.677 1.00 0.00 H new ATOM 542 N GLN A 71 5.471 -4.848 1.130 1.00 0.00 N ATOM 543 CA GLN A 71 5.738 -5.793 2.208 1.00 0.00 C ATOM 544 C GLN A 71 5.749 -5.088 3.560 1.00 0.00 C ATOM 545 O GLN A 71 6.280 -3.987 3.709 1.00 0.00 O ATOM 546 CB GLN A 71 7.074 -6.500 1.976 1.00 0.00 C ATOM 547 CG GLN A 71 7.105 -7.346 0.713 1.00 0.00 C ATOM 548 CD GLN A 71 6.461 -8.705 0.905 1.00 0.00 C ATOM 549 OE1 GLN A 71 5.273 -8.886 0.635 1.00 0.00 O ATOM 550 NE2 GLN A 71 7.244 -9.670 1.374 1.00 0.00 N ATOM 0 H GLN A 71 6.258 -4.243 0.895 1.00 0.00 H new ATOM 0 HA GLN A 71 4.939 -6.535 2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.866 -5.753 1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.293 -7.135 2.834 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.591 -6.815 -0.088 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.139 -7.480 0.395 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.223 -9.475 1.584 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.866 -10.606 1.524 1.00 0.00 H new ATOM 559 N PRO A 72 5.150 -5.735 4.571 1.00 0.00 N ATOM 560 CA PRO A 72 5.078 -5.188 5.929 1.00 0.00 C ATOM 561 C PRO A 72 6.438 -5.169 6.618 1.00 0.00 C ATOM 562 O PRO A 72 6.765 -6.069 7.391 1.00 0.00 O ATOM 563 CB PRO A 72 4.128 -6.149 6.648 1.00 0.00 C ATOM 564 CG PRO A 72 4.245 -7.430 5.898 1.00 0.00 C ATOM 565 CD PRO A 72 4.496 -7.050 4.465 1.00 0.00 C ATOM 0 HA PRO A 72 4.742 -4.151 5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.409 -6.275 7.693 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.104 -5.776 6.636 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.061 -8.038 6.289 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.334 -8.021 5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.134 -7.777 3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.568 -6.993 3.896 1.00 0.00 H new ATOM 573 N MET A 73 7.226 -4.137 6.334 1.00 0.00 N ATOM 574 CA MET A 73 8.550 -4.000 6.929 1.00 0.00 C ATOM 575 C MET A 73 8.451 -3.511 8.371 1.00 0.00 C ATOM 576 O MET A 73 9.119 -4.034 9.261 1.00 0.00 O ATOM 577 CB MET A 73 9.405 -3.033 6.108 1.00 0.00 C ATOM 578 CG MET A 73 10.052 -3.677 4.893 1.00 0.00 C ATOM 579 SD MET A 73 9.016 -3.580 3.420 1.00 0.00 S ATOM 580 CE MET A 73 8.696 -1.820 3.346 1.00 0.00 C ATOM 0 H MET A 73 6.970 -3.384 5.696 1.00 0.00 H new ATOM 0 HA MET A 73 9.023 -4.982 6.929 1.00 0.00 H new ATOM 0 HB2 MET A 73 8.783 -2.200 5.780 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.184 -2.617 6.747 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.007 -3.190 4.694 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.267 -4.723 5.113 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.542 -1.521 2.309 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.803 -1.588 3.927 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.547 -1.278 3.757 1.00 0.00 H new ATOM 590 N ASN A 74 7.612 -2.504 8.592 1.00 0.00 N ATOM 591 CA ASN A 74 7.426 -1.943 9.926 1.00 0.00 C ATOM 592 C ASN A 74 5.944 -1.832 10.268 1.00 0.00 C ATOM 593 O ASN A 74 5.081 -2.154 9.450 1.00 0.00 O ATOM 594 CB ASN A 74 8.087 -0.566 10.020 1.00 0.00 C ATOM 595 CG ASN A 74 9.572 -0.657 10.317 1.00 0.00 C ATOM 596 OD1 ASN A 74 10.316 -1.344 9.618 1.00 0.00 O ATOM 597 ND2 ASN A 74 10.009 0.039 11.361 1.00 0.00 N ATOM 0 H ASN A 74 7.051 -2.060 7.865 1.00 0.00 H new ATOM 0 HA ASN A 74 7.897 -2.615 10.644 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.939 -0.030 9.083 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.598 0.016 10.801 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.998 0.017 11.611 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.356 0.595 11.913 1.00 0.00 H new ATOM 604 N LYS A 75 5.654 -1.374 11.481 1.00 0.00 N ATOM 605 CA LYS A 75 4.277 -1.217 11.932 1.00 0.00 C ATOM 606 C LYS A 75 3.757 0.182 11.619 1.00 0.00 C ATOM 607 O LYS A 75 2.560 0.377 11.408 1.00 0.00 O ATOM 608 CB LYS A 75 4.177 -1.485 13.435 1.00 0.00 C ATOM 609 CG LYS A 75 4.280 -2.956 13.799 1.00 0.00 C ATOM 610 CD LYS A 75 2.920 -3.634 13.770 1.00 0.00 C ATOM 611 CE LYS A 75 2.609 -4.203 12.394 1.00 0.00 C ATOM 612 NZ LYS A 75 1.616 -5.310 12.463 1.00 0.00 N ATOM 0 H LYS A 75 6.356 -1.105 12.170 1.00 0.00 H new ATOM 0 HA LYS A 75 3.662 -1.942 11.398 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.968 -0.937 13.947 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.228 -1.094 13.803 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.953 -3.458 13.103 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.716 -3.056 14.793 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.896 -4.434 14.510 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.149 -2.917 14.051 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.225 -3.410 11.752 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.528 -4.568 11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.431 -5.671 11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.992 -6.078 13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.730 -4.956 12.877 1.00 0.00 H new ATOM 626 N ILE A 76 4.665 1.152 11.588 1.00 0.00 N ATOM 627 CA ILE A 76 4.297 2.532 11.298 1.00 0.00 C ATOM 628 C ILE A 76 4.296 2.797 9.796 1.00 0.00 C ATOM 629 O ILE A 76 3.385 3.434 9.269 1.00 0.00 O ATOM 630 CB ILE A 76 5.255 3.526 11.982 1.00 0.00 C ATOM 631 CG1 ILE A 76 5.234 3.325 13.499 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.877 4.956 11.626 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.917 3.702 14.140 1.00 0.00 C ATOM 0 H ILE A 76 5.660 1.008 11.760 1.00 0.00 H new ATOM 0 HA ILE A 76 3.291 2.679 11.692 1.00 0.00 H new ATOM 0 HB ILE A 76 6.267 3.339 11.623 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.452 2.280 13.722 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.030 3.919 13.947 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.563 5.647 12.117 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.938 5.090 10.546 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.859 5.157 11.960 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.974 3.534 15.215 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.707 4.754 13.948 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.119 3.090 13.719 1.00 0.00 H new ATOM 645 N GLU A 77 5.323 2.301 9.113 1.00 0.00 N ATOM 646 CA GLU A 77 5.439 2.483 7.670 1.00 0.00 C ATOM 647 C GLU A 77 4.079 2.339 6.993 1.00 0.00 C ATOM 648 O GLU A 77 3.810 2.980 5.976 1.00 0.00 O ATOM 649 CB GLU A 77 6.423 1.469 7.084 1.00 0.00 C ATOM 650 CG GLU A 77 7.864 1.708 7.501 1.00 0.00 C ATOM 651 CD GLU A 77 8.507 2.857 6.749 1.00 0.00 C ATOM 652 OE1 GLU A 77 7.987 3.989 6.839 1.00 0.00 O ATOM 653 OE2 GLU A 77 9.528 2.624 6.069 1.00 0.00 O ATOM 0 H GLU A 77 6.086 1.771 9.535 1.00 0.00 H new ATOM 0 HA GLU A 77 5.813 3.490 7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.126 0.467 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.359 1.500 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.899 1.914 8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.442 0.800 7.332 1.00 0.00 H new ATOM 660 N ARG A 78 3.227 1.494 7.562 1.00 0.00 N ATOM 661 CA ARG A 78 1.896 1.264 7.013 1.00 0.00 C ATOM 662 C ARG A 78 1.128 2.576 6.883 1.00 0.00 C ATOM 663 O ARG A 78 0.745 2.977 5.783 1.00 0.00 O ATOM 664 CB ARG A 78 1.116 0.290 7.898 1.00 0.00 C ATOM 665 CG ARG A 78 -0.388 0.347 7.688 1.00 0.00 C ATOM 666 CD ARG A 78 -0.782 -0.212 6.330 1.00 0.00 C ATOM 667 NE ARG A 78 -0.997 -1.656 6.373 1.00 0.00 N ATOM 668 CZ ARG A 78 -0.034 -2.548 6.169 1.00 0.00 C ATOM 669 NH1 ARG A 78 1.203 -2.147 5.909 1.00 0.00 N ATOM 670 NH2 ARG A 78 -0.308 -3.845 6.224 1.00 0.00 N ATOM 0 H ARG A 78 3.434 0.957 8.404 1.00 0.00 H new ATOM 0 HA ARG A 78 2.011 0.829 6.020 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.464 -0.724 7.701 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.337 0.506 8.943 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.888 -0.218 8.474 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.729 1.379 7.771 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.692 0.280 5.986 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.002 0.017 5.604 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.937 -1.998 6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.418 -1.151 5.865 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.940 -2.835 5.753 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.258 -4.157 6.423 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.432 -4.530 6.067 1.00 0.00 H new ATOM 684 N SER A 79 0.906 3.241 8.012 1.00 0.00 N ATOM 685 CA SER A 79 0.180 4.505 8.025 1.00 0.00 C ATOM 686 C SER A 79 0.851 5.526 7.112 1.00 0.00 C ATOM 687 O SER A 79 0.182 6.247 6.371 1.00 0.00 O ATOM 688 CB SER A 79 0.096 5.055 9.450 1.00 0.00 C ATOM 689 OG SER A 79 -0.588 6.296 9.479 1.00 0.00 O ATOM 0 H SER A 79 1.219 2.925 8.930 1.00 0.00 H new ATOM 0 HA SER A 79 -0.828 4.320 7.655 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.418 4.338 10.090 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.100 5.180 9.854 1.00 0.00 H new ATOM 0 HG SER A 79 -0.629 6.625 10.401 1.00 0.00 H new ATOM 695 N ILE A 80 2.177 5.582 7.172 1.00 0.00 N ATOM 696 CA ILE A 80 2.940 6.514 6.350 1.00 0.00 C ATOM 697 C ILE A 80 2.653 6.301 4.868 1.00 0.00 C ATOM 698 O ILE A 80 2.182 7.207 4.179 1.00 0.00 O ATOM 699 CB ILE A 80 4.454 6.371 6.595 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.764 6.479 8.089 1.00 0.00 C ATOM 701 CG2 ILE A 80 5.219 7.428 5.812 1.00 0.00 C ATOM 702 CD1 ILE A 80 6.033 5.764 8.496 1.00 0.00 C ATOM 0 H ILE A 80 2.745 4.993 7.781 1.00 0.00 H new ATOM 0 HA ILE A 80 2.627 7.518 6.637 1.00 0.00 H new ATOM 0 HB ILE A 80 4.772 5.388 6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.847 7.532 8.359 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.928 6.069 8.656 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.287 7.314 5.995 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.019 7.308 4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.900 8.420 6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.190 5.883 9.568 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.946 4.704 8.257 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.879 6.189 7.956 1.00 0.00 H new ATOM 714 N LEU A 81 2.939 5.098 4.382 1.00 0.00 N ATOM 715 CA LEU A 81 2.711 4.765 2.981 1.00 0.00 C ATOM 716 C LEU A 81 1.286 5.116 2.563 1.00 0.00 C ATOM 717 O LEU A 81 1.063 5.669 1.486 1.00 0.00 O ATOM 718 CB LEU A 81 2.972 3.277 2.741 1.00 0.00 C ATOM 719 CG LEU A 81 2.565 2.736 1.370 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.276 3.498 0.263 1.00 0.00 C ATOM 721 CD2 LEU A 81 2.865 1.247 1.273 1.00 0.00 C ATOM 0 H LEU A 81 3.329 4.337 4.938 1.00 0.00 H new ATOM 0 HA LEU A 81 3.403 5.351 2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.036 3.088 2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.443 2.708 3.505 1.00 0.00 H new ATOM 0 HG LEU A 81 1.491 2.878 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.974 3.099 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.010 4.554 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.354 3.388 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.569 0.879 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.933 1.081 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.309 0.713 2.043 1.00 0.00 H new ATOM 733 N HIS A 82 0.326 4.792 3.423 1.00 0.00 N ATOM 734 CA HIS A 82 -1.077 5.076 3.144 1.00 0.00 C ATOM 735 C HIS A 82 -1.284 6.560 2.853 1.00 0.00 C ATOM 736 O HIS A 82 -2.013 6.926 1.931 1.00 0.00 O ATOM 737 CB HIS A 82 -1.950 4.650 4.325 1.00 0.00 C ATOM 738 CG HIS A 82 -2.444 3.239 4.226 1.00 0.00 C ATOM 739 ND1 HIS A 82 -3.781 2.914 4.132 1.00 0.00 N ATOM 740 CD2 HIS A 82 -1.771 2.065 4.205 1.00 0.00 C ATOM 741 CE1 HIS A 82 -3.909 1.602 4.059 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.704 1.063 4.101 1.00 0.00 N ATOM 0 H HIS A 82 0.494 4.333 4.318 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.369 4.506 2.262 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.380 4.763 5.247 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.805 5.322 4.395 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -4.551 3.583 4.121 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.700 1.940 4.260 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.841 1.061 3.979 1.00 0.00 H new ATOM 750 N ASP A 83 -0.640 7.408 3.647 1.00 0.00 N ATOM 751 CA ASP A 83 -0.753 8.852 3.474 1.00 0.00 C ATOM 752 C ASP A 83 -0.222 9.279 2.109 1.00 0.00 C ATOM 753 O ASP A 83 -0.847 10.076 1.410 1.00 0.00 O ATOM 754 CB ASP A 83 0.008 9.581 4.583 1.00 0.00 C ATOM 755 CG ASP A 83 -0.532 10.974 4.837 1.00 0.00 C ATOM 756 OD1 ASP A 83 -1.651 11.087 5.381 1.00 0.00 O ATOM 757 OD2 ASP A 83 0.164 11.952 4.492 1.00 0.00 O ATOM 0 H ASP A 83 -0.035 7.121 4.416 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.808 9.119 3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.050 8.999 5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.062 9.647 4.313 1.00 0.00 H new ATOM 762 N VAL A 84 0.938 8.745 1.738 1.00 0.00 N ATOM 763 CA VAL A 84 1.554 9.071 0.457 1.00 0.00 C ATOM 764 C VAL A 84 0.677 8.619 -0.706 1.00 0.00 C ATOM 765 O VAL A 84 0.605 9.285 -1.739 1.00 0.00 O ATOM 766 CB VAL A 84 2.943 8.421 0.321 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.518 8.675 -1.065 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.882 8.940 1.400 1.00 0.00 C ATOM 0 H VAL A 84 1.469 8.085 2.306 1.00 0.00 H new ATOM 0 HA VAL A 84 1.664 10.155 0.425 1.00 0.00 H new ATOM 0 HB VAL A 84 2.836 7.344 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.500 8.208 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.854 8.250 -1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.613 9.749 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.859 8.470 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.986 10.021 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.474 8.702 2.382 1.00 0.00 H new ATOM 778 N VAL A 85 0.011 7.482 -0.530 1.00 0.00 N ATOM 779 CA VAL A 85 -0.863 6.941 -1.564 1.00 0.00 C ATOM 780 C VAL A 85 -2.120 7.790 -1.721 1.00 0.00 C ATOM 781 O VAL A 85 -2.416 8.280 -2.810 1.00 0.00 O ATOM 782 CB VAL A 85 -1.274 5.490 -1.248 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.195 4.949 -2.330 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.042 4.610 -1.096 1.00 0.00 C ATOM 0 H VAL A 85 0.060 6.918 0.319 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.298 6.957 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.818 5.481 -0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.475 3.923 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.092 5.566 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.680 4.969 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.350 3.588 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.531 4.622 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.577 4.988 -0.282 1.00 0.00 H new ATOM 794 N GLU A 86 -2.854 7.960 -0.626 1.00 0.00 N ATOM 795 CA GLU A 86 -4.079 8.750 -0.644 1.00 0.00 C ATOM 796 C GLU A 86 -3.831 10.125 -1.256 1.00 0.00 C ATOM 797 O GLU A 86 -4.697 10.683 -1.930 1.00 0.00 O ATOM 798 CB GLU A 86 -4.634 8.903 0.774 1.00 0.00 C ATOM 799 CG GLU A 86 -4.080 10.107 1.517 1.00 0.00 C ATOM 800 CD GLU A 86 -4.922 11.353 1.320 1.00 0.00 C ATOM 801 OE1 GLU A 86 -4.887 11.921 0.208 1.00 0.00 O ATOM 802 OE2 GLU A 86 -5.614 11.760 2.276 1.00 0.00 O ATOM 0 H GLU A 86 -2.622 7.562 0.284 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.811 8.225 -1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.720 8.986 0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.409 8.001 1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.021 9.877 2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.063 10.303 1.177 1.00 0.00 H new ATOM 809 N VAL A 87 -2.641 10.667 -1.016 1.00 0.00 N ATOM 810 CA VAL A 87 -2.277 11.977 -1.544 1.00 0.00 C ATOM 811 C VAL A 87 -2.055 11.920 -3.051 1.00 0.00 C ATOM 812 O VAL A 87 -2.500 12.799 -3.788 1.00 0.00 O ATOM 813 CB VAL A 87 -1.004 12.520 -0.869 1.00 0.00 C ATOM 814 CG1 VAL A 87 -0.572 13.827 -1.516 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.230 12.704 0.624 1.00 0.00 C ATOM 0 H VAL A 87 -1.913 10.219 -0.460 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.109 12.648 -1.327 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.203 11.793 -1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.329 14.195 -1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.367 13.659 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.368 14.564 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.320 13.088 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.044 13.410 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.488 11.745 1.074 1.00 0.00 H new ATOM 825 N ALA A 88 -1.364 10.878 -3.503 1.00 0.00 N ATOM 826 CA ALA A 88 -1.085 10.705 -4.923 1.00 0.00 C ATOM 827 C ALA A 88 -2.374 10.533 -5.719 1.00 0.00 C ATOM 828 O ALA A 88 -2.469 10.966 -6.866 1.00 0.00 O ATOM 829 CB ALA A 88 -0.166 9.511 -5.138 1.00 0.00 C ATOM 0 H ALA A 88 -0.987 10.141 -2.906 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.585 11.604 -5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.034 9.393 -6.203 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.772 9.674 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.646 8.609 -4.757 1.00 0.00 H new ATOM 835 N GLY A 89 -3.365 9.896 -5.101 1.00 0.00 N ATOM 836 CA GLY A 89 -4.635 9.678 -5.768 1.00 0.00 C ATOM 837 C GLY A 89 -4.860 8.222 -6.125 1.00 0.00 C ATOM 838 O GLY A 89 -5.414 7.911 -7.180 1.00 0.00 O ATOM 0 H GLY A 89 -3.310 9.528 -4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.444 10.020 -5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.674 10.281 -6.675 1.00 0.00 H new ATOM 842 N LEU A 90 -4.429 7.325 -5.244 1.00 0.00 N ATOM 843 CA LEU A 90 -4.584 5.893 -5.472 1.00 0.00 C ATOM 844 C LEU A 90 -5.276 5.225 -4.288 1.00 0.00 C ATOM 845 O LEU A 90 -5.360 5.797 -3.200 1.00 0.00 O ATOM 846 CB LEU A 90 -3.220 5.244 -5.712 1.00 0.00 C ATOM 847 CG LEU A 90 -2.480 5.685 -6.975 1.00 0.00 C ATOM 848 CD1 LEU A 90 -1.048 5.172 -6.961 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.210 5.200 -8.218 1.00 0.00 C ATOM 0 H LEU A 90 -3.970 7.565 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.205 5.756 -6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.584 5.452 -4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.356 4.163 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.454 6.774 -6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.537 5.496 -7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.528 5.569 -6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.052 4.083 -6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.669 5.523 -9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.268 4.112 -8.204 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.217 5.617 -8.235 1.00 0.00 H new ATOM 861 N THR A 91 -5.770 4.010 -4.505 1.00 0.00 N ATOM 862 CA THR A 91 -6.454 3.264 -3.456 1.00 0.00 C ATOM 863 C THR A 91 -5.463 2.476 -2.607 1.00 0.00 C ATOM 864 O THR A 91 -4.451 1.988 -3.110 1.00 0.00 O ATOM 865 CB THR A 91 -7.494 2.293 -4.045 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.362 2.992 -4.945 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.316 1.645 -2.941 1.00 0.00 C ATOM 0 H THR A 91 -5.709 3.522 -5.398 1.00 0.00 H new ATOM 0 HA THR A 91 -6.965 3.995 -2.829 1.00 0.00 H new ATOM 0 HB THR A 91 -6.962 1.511 -4.587 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.019 2.367 -5.317 1.00 0.00 H new ATOM 0 HG21 THR A 91 -9.044 0.963 -3.381 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.656 1.090 -2.274 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.838 2.417 -2.375 1.00 0.00 H new ATOM 875 N SER A 92 -5.761 2.354 -1.318 1.00 0.00 N ATOM 876 CA SER A 92 -4.895 1.627 -0.398 1.00 0.00 C ATOM 877 C SER A 92 -5.717 0.782 0.570 1.00 0.00 C ATOM 878 O SER A 92 -6.776 1.204 1.035 1.00 0.00 O ATOM 879 CB SER A 92 -4.011 2.602 0.382 1.00 0.00 C ATOM 880 OG SER A 92 -4.792 3.587 1.036 1.00 0.00 O ATOM 0 H SER A 92 -6.596 2.750 -0.887 1.00 0.00 H new ATOM 0 HA SER A 92 -4.261 0.962 -0.984 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.421 2.054 1.117 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.307 3.083 -0.297 1.00 0.00 H new ATOM 0 HG SER A 92 -4.628 3.546 2.001 1.00 0.00 H new ATOM 886 N PHE A 93 -5.222 -0.414 0.869 1.00 0.00 N ATOM 887 CA PHE A 93 -5.910 -1.321 1.781 1.00 0.00 C ATOM 888 C PHE A 93 -4.916 -2.231 2.496 1.00 0.00 C ATOM 889 O PHE A 93 -3.831 -2.507 1.984 1.00 0.00 O ATOM 890 CB PHE A 93 -6.934 -2.164 1.019 1.00 0.00 C ATOM 891 CG PHE A 93 -8.213 -1.432 0.725 1.00 0.00 C ATOM 892 CD1 PHE A 93 -9.053 -1.037 1.753 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.575 -1.140 -0.580 1.00 0.00 C ATOM 894 CE1 PHE A 93 -10.230 -0.364 1.485 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.751 -0.467 -0.855 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.579 -0.078 0.180 1.00 0.00 C ATOM 0 H PHE A 93 -4.347 -0.778 0.493 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.428 -0.721 2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.492 -2.498 0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -7.161 -3.058 1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.785 -1.257 2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.931 -1.442 -1.392 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.876 -0.062 2.296 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -10.022 -0.246 -1.877 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.498 0.449 -0.031 1.00 0.00 H new ATOM 906 N SER A 94 -5.295 -2.695 3.683 1.00 0.00 N ATOM 907 CA SER A 94 -4.436 -3.570 4.471 1.00 0.00 C ATOM 908 C SER A 94 -5.023 -4.976 4.554 1.00 0.00 C ATOM 909 O SER A 94 -6.050 -5.196 5.197 1.00 0.00 O ATOM 910 CB SER A 94 -4.246 -3.001 5.878 1.00 0.00 C ATOM 911 OG SER A 94 -5.493 -2.684 6.473 1.00 0.00 O ATOM 0 H SER A 94 -6.191 -2.479 4.119 1.00 0.00 H new ATOM 0 HA SER A 94 -3.466 -3.628 3.976 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.717 -3.725 6.498 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.624 -2.107 5.831 1.00 0.00 H new ATOM 0 HG SER A 94 -6.140 -3.392 6.273 1.00 0.00 H new ATOM 917 N PHE A 95 -4.364 -5.925 3.898 1.00 0.00 N ATOM 918 CA PHE A 95 -4.820 -7.311 3.896 1.00 0.00 C ATOM 919 C PHE A 95 -3.700 -8.253 4.327 1.00 0.00 C ATOM 920 O PHE A 95 -2.621 -8.264 3.736 1.00 0.00 O ATOM 921 CB PHE A 95 -5.323 -7.702 2.504 1.00 0.00 C ATOM 922 CG PHE A 95 -6.352 -6.758 1.952 1.00 0.00 C ATOM 923 CD1 PHE A 95 -7.574 -6.597 2.585 1.00 0.00 C ATOM 924 CD2 PHE A 95 -6.098 -6.031 0.800 1.00 0.00 C ATOM 925 CE1 PHE A 95 -8.524 -5.730 2.078 1.00 0.00 C ATOM 926 CE2 PHE A 95 -7.043 -5.162 0.289 1.00 0.00 C ATOM 927 CZ PHE A 95 -8.257 -5.011 0.929 1.00 0.00 C ATOM 0 H PHE A 95 -3.513 -5.760 3.361 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.639 -7.399 4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.476 -7.745 1.819 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.748 -8.705 2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.787 -7.155 3.485 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -5.150 -6.145 0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.474 -5.615 2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.832 -4.602 -0.610 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.997 -4.332 0.532 1.00 0.00 H new ATOM 937 N GLY A 96 -3.965 -9.042 5.364 1.00 0.00 N ATOM 938 CA GLY A 96 -2.970 -9.976 5.859 1.00 0.00 C ATOM 939 C GLY A 96 -3.567 -11.323 6.215 1.00 0.00 C ATOM 940 O GLY A 96 -4.785 -11.463 6.310 1.00 0.00 O ATOM 0 H GLY A 96 -4.851 -9.051 5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.197 -10.113 5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.485 -9.553 6.739 1.00 0.00 H new ATOM 944 N GLU A 97 -2.706 -12.317 6.410 1.00 0.00 N ATOM 945 CA GLU A 97 -3.156 -13.660 6.755 1.00 0.00 C ATOM 946 C GLU A 97 -3.438 -13.773 8.250 1.00 0.00 C ATOM 947 O GLU A 97 -4.387 -14.438 8.665 1.00 0.00 O ATOM 948 CB GLU A 97 -2.107 -14.695 6.343 1.00 0.00 C ATOM 949 CG GLU A 97 -1.770 -14.666 4.862 1.00 0.00 C ATOM 950 CD GLU A 97 -0.826 -13.536 4.500 1.00 0.00 C ATOM 951 OE1 GLU A 97 0.352 -13.592 4.910 1.00 0.00 O ATOM 952 OE2 GLU A 97 -1.266 -12.595 3.807 1.00 0.00 O ATOM 0 H GLU A 97 -1.694 -12.217 6.335 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.081 -13.855 6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.196 -14.525 6.917 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.468 -15.690 6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.319 -15.617 4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.690 -14.565 4.286 1.00 0.00 H new ATOM 959 N ASP A 98 -2.607 -13.118 9.053 1.00 0.00 N ATOM 960 CA ASP A 98 -2.766 -13.143 10.503 1.00 0.00 C ATOM 961 C ASP A 98 -2.744 -11.730 11.076 1.00 0.00 C ATOM 962 O ASP A 98 -2.159 -10.820 10.489 1.00 0.00 O ATOM 963 CB ASP A 98 -1.661 -13.984 11.144 1.00 0.00 C ATOM 964 CG ASP A 98 -1.846 -15.468 10.897 1.00 0.00 C ATOM 965 OD1 ASP A 98 -2.657 -16.093 11.612 1.00 0.00 O ATOM 966 OD2 ASP A 98 -1.181 -16.005 9.987 1.00 0.00 O ATOM 0 H ASP A 98 -1.816 -12.563 8.725 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.732 -13.593 10.730 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.695 -13.671 10.749 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.643 -13.797 12.218 1.00 0.00 H new ATOM 971 N ASP A 99 -3.387 -11.553 12.225 1.00 0.00 N ATOM 972 CA ASP A 99 -3.442 -10.251 12.879 1.00 0.00 C ATOM 973 C ASP A 99 -2.063 -9.599 12.908 1.00 0.00 C ATOM 974 O ASP A 99 -1.904 -8.441 12.521 1.00 0.00 O ATOM 975 CB ASP A 99 -3.983 -10.393 14.302 1.00 0.00 C ATOM 976 CG ASP A 99 -5.439 -10.813 14.329 1.00 0.00 C ATOM 977 OD1 ASP A 99 -6.195 -10.395 13.427 1.00 0.00 O ATOM 978 OD2 ASP A 99 -5.823 -11.561 15.252 1.00 0.00 O ATOM 0 H ASP A 99 -3.878 -12.296 12.723 1.00 0.00 H new ATOM 0 HA ASP A 99 -4.114 -9.612 12.306 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -3.386 -11.127 14.843 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.872 -9.444 14.826 1.00 0.00 H new ATOM 983 N ASP A 100 -1.069 -10.350 13.370 1.00 0.00 N ATOM 984 CA ASP A 100 0.297 -9.845 13.450 1.00 0.00 C ATOM 985 C ASP A 100 0.853 -9.561 12.058 1.00 0.00 C ATOM 986 O ASP A 100 1.513 -8.544 11.839 1.00 0.00 O ATOM 987 CB ASP A 100 1.192 -10.850 14.176 1.00 0.00 C ATOM 988 CG ASP A 100 1.417 -12.114 13.368 1.00 0.00 C ATOM 989 OD1 ASP A 100 0.419 -12.760 12.987 1.00 0.00 O ATOM 990 OD2 ASP A 100 2.592 -12.456 13.117 1.00 0.00 O ATOM 0 H ASP A 100 -1.183 -11.310 13.695 1.00 0.00 H new ATOM 0 HA ASP A 100 0.282 -8.911 14.012 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.154 -10.385 14.393 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.740 -11.110 15.133 1.00 0.00 H new ATOM 995 N CYS A 101 0.584 -10.465 11.123 1.00 0.00 N ATOM 996 CA CYS A 101 1.060 -10.313 9.753 1.00 0.00 C ATOM 997 C CYS A 101 0.039 -9.562 8.904 1.00 0.00 C ATOM 998 O CYS A 101 -0.989 -10.116 8.516 1.00 0.00 O ATOM 999 CB CYS A 101 1.347 -11.682 9.135 1.00 0.00 C ATOM 1000 SG CYS A 101 2.659 -11.671 7.892 1.00 0.00 S ATOM 0 H CYS A 101 0.039 -11.311 11.289 1.00 0.00 H new ATOM 0 HA CYS A 101 1.983 -9.734 9.777 1.00 0.00 H new ATOM 0 HB2 CYS A 101 1.620 -12.377 9.929 1.00 0.00 H new ATOM 0 HB3 CYS A 101 0.433 -12.062 8.679 1.00 0.00 H new ATOM 0 HG CYS A 101 2.829 -12.874 7.430 1.00 0.00 H new ATOM 1006 N ARG A 102 0.330 -8.296 8.620 1.00 0.00 N ATOM 1007 CA ARG A 102 -0.563 -7.468 7.819 1.00 0.00 C ATOM 1008 C ARG A 102 0.225 -6.625 6.821 1.00 0.00 C ATOM 1009 O ARG A 102 1.019 -5.768 7.208 1.00 0.00 O ATOM 1010 CB ARG A 102 -1.398 -6.559 8.723 1.00 0.00 C ATOM 1011 CG ARG A 102 -2.719 -7.174 9.153 1.00 0.00 C ATOM 1012 CD ARG A 102 -3.445 -6.291 10.156 1.00 0.00 C ATOM 1013 NE ARG A 102 -3.774 -4.983 9.596 1.00 0.00 N ATOM 1014 CZ ARG A 102 -3.977 -3.898 10.335 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -3.886 -3.964 11.656 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -4.273 -2.743 9.752 1.00 0.00 N ATOM 0 H ARG A 102 1.177 -7.822 8.933 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.229 -8.129 7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.817 -6.311 9.611 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.596 -5.623 8.200 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.351 -7.329 8.279 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.539 -8.155 9.594 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.360 -6.787 10.480 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.822 -6.160 11.041 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.852 -4.898 8.583 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.659 -4.850 12.108 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.042 -3.129 12.220 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.345 -2.688 8.736 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.429 -1.910 10.320 1.00 0.00 H new ATOM 1030 N TYR A 103 0.001 -6.876 5.536 1.00 0.00 N ATOM 1031 CA TYR A 103 0.692 -6.143 4.482 1.00 0.00 C ATOM 1032 C TYR A 103 -0.213 -5.073 3.879 1.00 0.00 C ATOM 1033 O TYR A 103 -1.426 -5.081 4.085 1.00 0.00 O ATOM 1034 CB TYR A 103 1.164 -7.103 3.389 1.00 0.00 C ATOM 1035 CG TYR A 103 0.033 -7.802 2.668 1.00 0.00 C ATOM 1036 CD1 TYR A 103 -0.867 -7.086 1.887 1.00 0.00 C ATOM 1037 CD2 TYR A 103 -0.135 -9.177 2.766 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -1.902 -7.720 1.227 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -1.166 -9.820 2.108 1.00 0.00 C ATOM 1040 CZ TYR A 103 -2.047 -9.087 1.341 1.00 0.00 C ATOM 1041 OH TYR A 103 -3.076 -9.722 0.684 1.00 0.00 O ATOM 0 H TYR A 103 -0.654 -7.582 5.199 1.00 0.00 H new ATOM 0 HA TYR A 103 1.559 -5.652 4.924 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.759 -6.549 2.663 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.819 -7.853 3.833 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.755 -6.016 1.795 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.552 -9.754 3.367 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.593 -7.149 0.625 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -1.281 -10.890 2.194 1.00 0.00 H new ATOM 0 HH TYR A 103 -3.037 -10.684 0.867 1.00 0.00 H new ATOM 1051 N VAL A 104 0.388 -4.151 3.133 1.00 0.00 N ATOM 1052 CA VAL A 104 -0.362 -3.074 2.498 1.00 0.00 C ATOM 1053 C VAL A 104 -0.425 -3.266 0.987 1.00 0.00 C ATOM 1054 O VAL A 104 0.529 -3.739 0.370 1.00 0.00 O ATOM 1055 CB VAL A 104 0.261 -1.699 2.804 1.00 0.00 C ATOM 1056 CG1 VAL A 104 1.676 -1.619 2.251 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.605 -0.584 2.239 1.00 0.00 C ATOM 0 H VAL A 104 1.392 -4.129 2.954 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.371 -3.106 2.909 1.00 0.00 H new ATOM 0 HB VAL A 104 0.312 -1.575 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.100 -0.641 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.290 -2.395 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.653 -1.764 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.150 0.380 2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.690 -0.701 1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.597 -0.631 2.688 1.00 0.00 H new ATOM 1067 N MET A 105 -1.556 -2.894 0.396 1.00 0.00 N ATOM 1068 CA MET A 105 -1.744 -3.023 -1.045 1.00 0.00 C ATOM 1069 C MET A 105 -2.269 -1.723 -1.644 1.00 0.00 C ATOM 1070 O MET A 105 -2.757 -0.850 -0.924 1.00 0.00 O ATOM 1071 CB MET A 105 -2.710 -4.168 -1.354 1.00 0.00 C ATOM 1072 CG MET A 105 -2.024 -5.515 -1.518 1.00 0.00 C ATOM 1073 SD MET A 105 -3.130 -6.783 -2.166 1.00 0.00 S ATOM 1074 CE MET A 105 -2.862 -6.598 -3.927 1.00 0.00 C ATOM 0 H MET A 105 -2.356 -2.501 0.892 1.00 0.00 H new ATOM 0 HA MET A 105 -0.776 -3.243 -1.494 1.00 0.00 H new ATOM 0 HB2 MET A 105 -3.445 -4.239 -0.552 1.00 0.00 H new ATOM 0 HB3 MET A 105 -3.257 -3.934 -2.267 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.171 -5.405 -2.188 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.632 -5.839 -0.554 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.745 -6.939 -4.467 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.677 -5.549 -4.159 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.000 -7.193 -4.228 1.00 0.00 H new ATOM 1084 N ILE A 106 -2.166 -1.600 -2.963 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.633 -0.406 -3.657 1.00 0.00 C ATOM 1086 C ILE A 106 -3.256 -0.760 -5.002 1.00 0.00 C ATOM 1087 O ILE A 106 -2.834 -1.710 -5.663 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.486 0.597 -3.883 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.410 -0.018 -4.781 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -0.890 1.029 -2.552 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.465 1.008 -5.465 1.00 0.00 C ATOM 0 H ILE A 106 -1.764 -2.312 -3.572 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.388 0.055 -3.020 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.888 1.479 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.218 -0.678 -4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.891 -0.637 -5.539 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.081 1.738 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.661 1.503 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.500 0.157 -2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.204 0.501 -6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.152 1.653 -6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.974 1.611 -4.713 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.262 0.010 -5.404 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.944 -0.222 -6.672 1.00 0.00 C ATOM 1105 C PHE A 107 -5.156 1.089 -7.423 1.00 0.00 C ATOM 1106 O PHE A 107 -5.032 2.173 -6.851 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.290 -0.910 -6.433 1.00 0.00 C ATOM 1108 CG PHE A 107 -6.165 -2.360 -6.063 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.581 -2.735 -4.863 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.631 -3.348 -6.914 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.464 -4.069 -4.521 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.517 -4.684 -6.577 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.934 -5.044 -5.378 1.00 0.00 C ATOM 0 H PHE A 107 -4.623 0.800 -4.870 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.315 -0.871 -7.281 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.821 -0.385 -5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.898 -0.824 -7.334 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.213 -1.976 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -7.089 -3.072 -7.852 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -5.005 -4.348 -3.584 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.883 -5.445 -7.250 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.846 -6.087 -5.111 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.476 0.983 -8.708 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.706 2.158 -9.539 1.00 0.00 C ATOM 1125 C LYS A 108 -7.171 2.582 -9.488 1.00 0.00 C ATOM 1126 O LYS A 108 -8.006 1.899 -8.894 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.298 1.872 -10.986 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.854 2.229 -11.292 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.634 2.438 -12.781 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.375 3.247 -13.051 1.00 0.00 C ATOM 1131 NZ LYS A 108 -2.311 3.721 -14.461 1.00 0.00 N ATOM 0 H LYS A 108 -5.582 0.094 -9.197 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.096 2.973 -9.149 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.454 0.814 -11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.952 2.430 -11.656 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.580 3.136 -10.752 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.198 1.435 -10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.560 1.471 -13.278 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.496 2.951 -13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.343 4.104 -12.378 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.498 2.637 -12.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.533 4.404 -14.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.145 2.911 -15.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.210 4.179 -14.714 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.477 3.713 -10.114 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.840 4.228 -10.143 1.00 0.00 C ATOM 1147 C LYS A 109 -9.769 3.269 -10.880 1.00 0.00 C ATOM 1148 O LYS A 109 -10.756 2.794 -10.320 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.874 5.604 -10.813 1.00 0.00 C ATOM 1150 CG LYS A 109 -10.262 6.219 -10.868 1.00 0.00 C ATOM 1151 CD LYS A 109 -10.664 6.809 -9.527 1.00 0.00 C ATOM 1152 CE LYS A 109 -10.015 8.165 -9.297 1.00 0.00 C ATOM 1153 NZ LYS A 109 -10.673 9.237 -10.094 1.00 0.00 N ATOM 0 H LYS A 109 -6.798 4.291 -10.609 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.187 4.323 -9.114 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.208 6.278 -10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.485 5.515 -11.827 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.286 6.997 -11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.986 5.460 -11.164 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -11.748 6.912 -9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.376 6.127 -8.727 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.066 8.417 -8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.959 8.112 -9.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -10.294 10.163 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.486 9.082 -11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.699 9.216 -9.924 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.444 2.987 -12.138 1.00 0.00 N ATOM 1168 CA GLU A 110 -10.250 2.083 -12.951 1.00 0.00 C ATOM 1169 C GLU A 110 -10.079 0.639 -12.489 1.00 0.00 C ATOM 1170 O GLU A 110 -11.043 -0.126 -12.436 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.865 2.208 -14.426 1.00 0.00 C ATOM 1172 CG GLU A 110 -10.064 3.604 -14.991 1.00 0.00 C ATOM 1173 CD GLU A 110 -11.503 3.873 -15.390 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -11.993 3.208 -16.327 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -12.138 4.747 -14.764 1.00 0.00 O ATOM 0 H GLU A 110 -8.629 3.371 -12.616 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.297 2.363 -12.832 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.820 1.923 -14.545 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.457 1.502 -15.008 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.753 4.340 -14.249 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.419 3.735 -15.860 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.846 0.272 -12.157 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.547 -1.081 -11.702 1.00 0.00 C ATOM 1184 C PHE A 111 -8.800 -1.219 -10.203 1.00 0.00 C ATOM 1185 O PHE A 111 -8.312 -2.150 -9.564 1.00 0.00 O ATOM 1186 CB PHE A 111 -7.094 -1.440 -12.021 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.699 -1.137 -13.438 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -6.248 0.124 -13.791 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -6.780 -2.114 -14.417 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -5.883 0.406 -15.094 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -6.417 -1.838 -15.722 1.00 0.00 C ATOM 1192 CZ PHE A 111 -5.968 -0.576 -16.061 1.00 0.00 C ATOM 0 H PHE A 111 -8.037 0.893 -12.194 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.208 -1.769 -12.229 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.436 -0.894 -11.344 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.940 -2.502 -11.828 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.181 0.896 -13.039 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.131 -3.102 -14.158 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -5.532 1.393 -15.355 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -6.484 -2.608 -16.476 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.684 -0.358 -17.080 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.565 -0.284 -9.650 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.884 -0.301 -8.228 1.00 0.00 C ATOM 1204 C ALA A 112 -10.821 -1.455 -7.889 1.00 0.00 C ATOM 1205 O ALA A 112 -11.709 -1.813 -8.663 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.504 1.025 -7.810 1.00 0.00 C ATOM 0 H ALA A 112 -9.975 0.495 -10.165 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.956 -0.446 -7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.737 0.998 -6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.800 1.834 -8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.419 1.194 -8.378 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.621 -2.053 -6.705 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.439 -3.176 -6.238 1.00 0.00 C ATOM 1214 C PRO A 113 -12.863 -2.753 -5.893 1.00 0.00 C ATOM 1215 O PRO A 113 -13.131 -1.574 -5.659 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.704 -3.651 -4.982 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.963 -2.452 -4.500 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.582 -1.678 -5.732 1.00 0.00 C ATOM 0 HA PRO A 113 -11.549 -3.946 -7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.403 -4.014 -4.228 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -10.024 -4.472 -5.208 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.584 -1.850 -3.837 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -9.079 -2.742 -3.932 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.575 -0.604 -5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.586 -1.947 -6.084 1.00 0.00 H new ATOM 1226 N SER A 114 -13.773 -3.722 -5.864 1.00 0.00 N ATOM 1227 CA SER A 114 -15.170 -3.448 -5.552 1.00 0.00 C ATOM 1228 C SER A 114 -15.456 -3.698 -4.074 1.00 0.00 C ATOM 1229 O SER A 114 -14.651 -4.309 -3.370 1.00 0.00 O ATOM 1230 CB SER A 114 -16.087 -4.318 -6.414 1.00 0.00 C ATOM 1231 OG SER A 114 -16.299 -3.730 -7.686 1.00 0.00 O ATOM 0 H SER A 114 -13.567 -4.703 -6.053 1.00 0.00 H new ATOM 0 HA SER A 114 -15.366 -2.398 -5.770 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.646 -5.307 -6.536 1.00 0.00 H new ATOM 0 HB3 SER A 114 -17.043 -4.455 -5.909 1.00 0.00 H new ATOM 0 HG SER A 114 -16.887 -4.306 -8.219 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.606 -3.222 -3.611 1.00 0.00 N ATOM 1238 CA ASP A 115 -17.000 -3.394 -2.218 1.00 0.00 C ATOM 1239 C ASP A 115 -17.015 -4.871 -1.836 1.00 0.00 C ATOM 1240 O ASP A 115 -16.230 -5.313 -0.997 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.378 -2.777 -1.975 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.574 -2.344 -0.535 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -18.425 -3.196 0.366 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -18.874 -1.154 -0.310 1.00 0.00 O ATOM 0 H ASP A 115 -17.282 -2.714 -4.181 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.267 -2.883 -1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -18.508 -1.916 -2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -19.149 -3.500 -2.242 1.00 0.00 H new ATOM 1249 N GLU A 116 -17.915 -5.628 -2.456 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.033 -7.055 -2.179 1.00 0.00 C ATOM 1251 C GLU A 116 -16.682 -7.751 -2.322 1.00 0.00 C ATOM 1252 O GLU A 116 -16.265 -8.504 -1.443 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.053 -7.698 -3.122 1.00 0.00 C ATOM 1254 CG GLU A 116 -20.450 -7.113 -2.997 1.00 0.00 C ATOM 1255 CD GLU A 116 -21.190 -7.626 -1.776 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -21.091 -8.837 -1.489 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -21.867 -6.817 -1.109 1.00 0.00 O ATOM 0 H GLU A 116 -18.572 -5.277 -3.153 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.375 -7.172 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -18.710 -7.581 -4.150 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.097 -8.768 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -20.382 -6.026 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -21.023 -7.355 -3.892 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.006 -7.493 -3.437 1.00 0.00 N ATOM 1265 CA GLU A 117 -14.703 -8.095 -3.696 1.00 0.00 C ATOM 1266 C GLU A 117 -13.724 -7.779 -2.569 1.00 0.00 C ATOM 1267 O GLU A 117 -13.000 -8.657 -2.096 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.142 -7.597 -5.029 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.099 -7.771 -6.196 1.00 0.00 C ATOM 1270 CD GLU A 117 -15.075 -9.176 -6.766 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -15.552 -10.103 -6.079 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -14.580 -9.347 -7.899 1.00 0.00 O ATOM 0 H GLU A 117 -16.338 -6.872 -4.175 1.00 0.00 H new ATOM 0 HA GLU A 117 -14.834 -9.176 -3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.886 -6.542 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.217 -8.131 -5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.111 -7.533 -5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.842 -7.060 -6.981 1.00 0.00 H new ATOM 1279 N LEU A 118 -13.706 -6.521 -2.144 1.00 0.00 N ATOM 1280 CA LEU A 118 -12.816 -6.087 -1.073 1.00 0.00 C ATOM 1281 C LEU A 118 -12.970 -6.976 0.157 1.00 0.00 C ATOM 1282 O LEU A 118 -11.984 -7.455 0.716 1.00 0.00 O ATOM 1283 CB LEU A 118 -13.103 -4.631 -0.703 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.489 -3.572 -1.619 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -13.182 -2.232 -1.427 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -10.995 -3.443 -1.359 1.00 0.00 C ATOM 0 H LEU A 118 -14.298 -5.783 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.790 -6.169 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.183 -4.487 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.744 -4.457 0.311 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.632 -3.887 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.731 -1.491 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.241 -2.333 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.071 -1.910 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.575 -2.685 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.830 -3.152 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.509 -4.400 -1.549 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.213 -7.194 0.571 1.00 0.00 N ATOM 1299 CA ASP A 119 -14.497 -8.029 1.732 1.00 0.00 C ATOM 1300 C ASP A 119 -14.051 -9.467 1.490 1.00 0.00 C ATOM 1301 O ASP A 119 -13.541 -10.130 2.393 1.00 0.00 O ATOM 1302 CB ASP A 119 -15.991 -7.993 2.060 1.00 0.00 C ATOM 1303 CG ASP A 119 -16.272 -8.308 3.516 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -15.712 -9.301 4.026 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -17.053 -7.563 4.145 1.00 0.00 O ATOM 0 H ASP A 119 -15.040 -6.804 0.120 1.00 0.00 H new ATOM 0 HA ASP A 119 -13.937 -7.632 2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.389 -7.007 1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.516 -8.710 1.428 1.00 0.00 H new ATOM 1310 N SER A 120 -14.249 -9.944 0.265 1.00 0.00 N ATOM 1311 CA SER A 120 -13.871 -11.306 -0.095 1.00 0.00 C ATOM 1312 C SER A 120 -12.358 -11.430 -0.240 1.00 0.00 C ATOM 1313 O SER A 120 -11.794 -12.512 -0.076 1.00 0.00 O ATOM 1314 CB SER A 120 -14.556 -11.720 -1.399 1.00 0.00 C ATOM 1315 OG SER A 120 -15.965 -11.743 -1.250 1.00 0.00 O ATOM 0 H SER A 120 -14.669 -9.408 -0.494 1.00 0.00 H new ATOM 0 HA SER A 120 -14.197 -11.971 0.705 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.283 -11.026 -2.193 1.00 0.00 H new ATOM 0 HB3 SER A 120 -14.203 -12.706 -1.702 1.00 0.00 H new ATOM 0 HG SER A 120 -16.312 -10.827 -1.275 1.00 0.00 H new ATOM 1321 N TYR A 121 -11.706 -10.314 -0.549 1.00 0.00 N ATOM 1322 CA TYR A 121 -10.258 -10.297 -0.720 1.00 0.00 C ATOM 1323 C TYR A 121 -9.550 -10.410 0.627 1.00 0.00 C ATOM 1324 O TYR A 121 -8.625 -11.206 0.789 1.00 0.00 O ATOM 1325 CB TYR A 121 -9.823 -9.015 -1.431 1.00 0.00 C ATOM 1326 CG TYR A 121 -10.043 -9.048 -2.927 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.584 -10.112 -3.693 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -10.709 -8.014 -3.574 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.783 -10.146 -5.060 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -10.913 -8.041 -4.940 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.448 -9.109 -5.678 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.648 -9.138 -7.039 1.00 0.00 O ATOM 0 H TYR A 121 -12.157 -9.410 -0.686 1.00 0.00 H new ATOM 0 HA TYR A 121 -9.979 -11.156 -1.330 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -10.371 -8.172 -1.010 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -8.766 -8.839 -1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -9.063 -10.926 -3.212 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.073 -7.175 -2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -9.419 -10.981 -5.641 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.434 -7.230 -5.427 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.133 -8.333 -7.316 1.00 0.00 H new ATOM 1342 N ARG A 122 -9.992 -9.608 1.590 1.00 0.00 N ATOM 1343 CA ARG A 122 -9.401 -9.617 2.923 1.00 0.00 C ATOM 1344 C ARG A 122 -9.750 -10.904 3.664 1.00 0.00 C ATOM 1345 O ARG A 122 -8.957 -11.409 4.459 1.00 0.00 O ATOM 1346 CB ARG A 122 -9.883 -8.407 3.725 1.00 0.00 C ATOM 1347 CG ARG A 122 -11.359 -8.463 4.084 1.00 0.00 C ATOM 1348 CD ARG A 122 -11.580 -9.141 5.428 1.00 0.00 C ATOM 1349 NE ARG A 122 -11.138 -8.305 6.541 1.00 0.00 N ATOM 1350 CZ ARG A 122 -10.822 -8.784 7.739 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -10.898 -10.086 7.977 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -10.429 -7.960 8.702 1.00 0.00 N ATOM 0 H ARG A 122 -10.757 -8.944 1.472 1.00 0.00 H new ATOM 0 HA ARG A 122 -8.318 -9.564 2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -9.297 -8.332 4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -9.692 -7.501 3.150 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -11.766 -7.452 4.114 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -11.903 -9.003 3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -12.638 -9.374 5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -11.041 -10.088 5.449 1.00 0.00 H new ATOM 0 HE ARG A 122 -11.068 -7.299 6.390 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -11.200 -10.723 7.239 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -10.655 -10.451 8.898 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -10.369 -6.958 8.523 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -10.187 -8.329 9.622 1.00 0.00 H new