USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 568 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 62 ASN : amide:sc= -1.5 K(o=-3,f=-8.7) USER MOD Set 1.2: A 66 MET CE :methyl -159:sc= -1.46 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= -0.382 (180deg=-0.77) USER MOD Single : A 52 SER OG : rot 180:sc= -0.01 USER MOD Single : A 64 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-2.3!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 69:sc= 0.195 USER MOD Single : A 76 SER OG : rot -27:sc= 0.117 USER MOD Single : A 77 THR OG1 : rot 47:sc= 0.654 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc=-0.00779 X(o=-0.0078,f=-0.0019) USER MOD Single : A 85 HIS : no HD1:sc= -0.0833 X(o=-0.083,f=-0.16) USER MOD Single : A 86 THR OG1 : rot -141:sc= -0.769 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.912 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -11.362 12.286 -9.768 1.00 0.00 N ATOM 84 CA MET A 9 -10.946 12.006 -8.399 1.00 0.00 C ATOM 85 C MET A 9 -9.732 11.084 -8.377 1.00 0.00 C ATOM 86 O MET A 9 -9.618 10.172 -9.197 1.00 0.00 O ATOM 87 CB MET A 9 -12.096 11.372 -7.613 1.00 0.00 C ATOM 88 CG MET A 9 -13.253 12.324 -7.356 1.00 0.00 C ATOM 89 SD MET A 9 -13.011 13.328 -5.878 1.00 0.00 S ATOM 90 CE MET A 9 -14.242 12.624 -4.784 1.00 0.00 C ATOM 0 HA MET A 9 -10.671 12.951 -7.930 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.465 10.504 -8.160 1.00 0.00 H new ATOM 0 HB3 MET A 9 -11.716 11.009 -6.658 1.00 0.00 H new ATOM 0 HG2 MET A 9 -13.378 12.978 -8.219 1.00 0.00 H new ATOM 0 HG3 MET A 9 -14.174 11.751 -7.254 1.00 0.00 H new ATOM 0 HE1 MET A 9 -14.215 13.142 -3.825 1.00 0.00 H new ATOM 0 HE2 MET A 9 -15.231 12.735 -5.229 1.00 0.00 H new ATOM 0 HE3 MET A 9 -14.030 11.566 -4.631 1.00 0.00 H new ATOM 100 N ILE A 10 -8.826 11.328 -7.435 1.00 0.00 N ATOM 101 CA ILE A 10 -7.621 10.518 -7.308 1.00 0.00 C ATOM 102 C ILE A 10 -7.900 9.236 -6.531 1.00 0.00 C ATOM 103 O ILE A 10 -7.352 8.178 -6.842 1.00 0.00 O ATOM 104 CB ILE A 10 -6.492 11.296 -6.605 1.00 0.00 C ATOM 105 CG1 ILE A 10 -6.211 12.607 -7.341 1.00 0.00 C ATOM 106 CG2 ILE A 10 -5.233 10.446 -6.525 1.00 0.00 C ATOM 107 CD1 ILE A 10 -5.537 12.414 -8.682 1.00 0.00 C ATOM 0 H ILE A 10 -8.904 12.079 -6.750 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.302 10.265 -8.319 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.812 11.533 -5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.150 13.140 -7.489 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.581 13.239 -6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.445 11.009 -6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.443 9.537 -5.961 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.908 10.181 -7.531 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.368 13.385 -9.147 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.582 11.909 -8.540 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.175 11.809 -9.326 1.00 0.00 H new ATOM 119 N ARG A 11 -8.756 9.337 -5.520 1.00 0.00 N ATOM 120 CA ARG A 11 -9.109 8.185 -4.699 1.00 0.00 C ATOM 121 C ARG A 11 -9.456 6.982 -5.571 1.00 0.00 C ATOM 122 O ARG A 11 -8.726 5.992 -5.598 1.00 0.00 O ATOM 123 CB ARG A 11 -10.288 8.524 -3.786 1.00 0.00 C ATOM 124 CG ARG A 11 -10.289 7.749 -2.478 1.00 0.00 C ATOM 125 CD ARG A 11 -11.612 7.899 -1.743 1.00 0.00 C ATOM 126 NE ARG A 11 -12.608 6.938 -2.208 1.00 0.00 N ATOM 127 CZ ARG A 11 -13.460 7.184 -3.197 1.00 0.00 C ATOM 128 NH1 ARG A 11 -13.437 8.353 -3.822 1.00 0.00 N ATOM 129 NH2 ARG A 11 -14.338 6.259 -3.563 1.00 0.00 N ATOM 0 H ARG A 11 -9.218 10.205 -5.249 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.245 7.930 -4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.271 9.591 -3.566 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.218 8.323 -4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.100 6.694 -2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.477 8.103 -1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.450 7.764 -0.674 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.992 8.911 -1.883 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.652 6.028 -1.749 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.764 9.067 -3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.093 8.538 -4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.359 5.358 -3.085 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.992 6.449 -4.322 1.00 0.00 H new ATOM 143 N GLU A 12 -10.576 7.076 -6.281 1.00 0.00 N ATOM 144 CA GLU A 12 -11.020 5.994 -7.153 1.00 0.00 C ATOM 145 C GLU A 12 -9.893 5.542 -8.076 1.00 0.00 C ATOM 146 O GLU A 12 -9.673 4.345 -8.265 1.00 0.00 O ATOM 147 CB GLU A 12 -12.226 6.440 -7.982 1.00 0.00 C ATOM 148 CG GLU A 12 -11.966 7.685 -8.813 1.00 0.00 C ATOM 149 CD GLU A 12 -13.118 8.018 -9.742 1.00 0.00 C ATOM 150 OE1 GLU A 12 -13.164 7.455 -10.856 1.00 0.00 O ATOM 151 OE2 GLU A 12 -13.973 8.842 -9.354 1.00 0.00 O ATOM 0 H GLU A 12 -11.192 7.889 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.311 5.152 -6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.522 5.626 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.066 6.628 -7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.785 8.530 -8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.060 7.542 -9.401 1.00 0.00 H new ATOM 158 N ARG A 13 -9.182 6.508 -8.649 1.00 0.00 N ATOM 159 CA ARG A 13 -8.079 6.210 -9.555 1.00 0.00 C ATOM 160 C ARG A 13 -7.065 5.282 -8.890 1.00 0.00 C ATOM 161 O ARG A 13 -6.563 4.347 -9.514 1.00 0.00 O ATOM 162 CB ARG A 13 -7.390 7.502 -9.997 1.00 0.00 C ATOM 163 CG ARG A 13 -8.034 8.151 -11.211 1.00 0.00 C ATOM 164 CD ARG A 13 -7.018 8.931 -12.031 1.00 0.00 C ATOM 165 NE ARG A 13 -7.573 9.384 -13.303 1.00 0.00 N ATOM 166 CZ ARG A 13 -7.095 10.417 -13.987 1.00 0.00 C ATOM 167 NH1 ARG A 13 -6.058 11.101 -13.523 1.00 0.00 N ATOM 168 NH2 ARG A 13 -7.654 10.769 -15.138 1.00 0.00 N ATOM 0 H ARG A 13 -9.350 7.503 -8.502 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.488 5.706 -10.431 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.400 8.211 -9.169 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.345 7.288 -10.221 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.494 7.384 -11.834 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.832 8.819 -10.887 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.674 9.792 -11.458 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.146 8.305 -12.219 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.372 8.879 -13.687 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.625 10.834 -12.639 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.693 11.894 -14.050 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.452 10.246 -15.498 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.286 11.563 -15.662 1.00 0.00 H new ATOM 182 N ILE A 14 -6.770 5.549 -7.623 1.00 0.00 N ATOM 183 CA ILE A 14 -5.817 4.738 -6.874 1.00 0.00 C ATOM 184 C ILE A 14 -6.304 3.299 -6.743 1.00 0.00 C ATOM 185 O ILE A 14 -5.744 2.387 -7.351 1.00 0.00 O ATOM 186 CB ILE A 14 -5.570 5.315 -5.467 1.00 0.00 C ATOM 187 CG1 ILE A 14 -4.788 6.627 -5.560 1.00 0.00 C ATOM 188 CG2 ILE A 14 -4.825 4.307 -4.605 1.00 0.00 C ATOM 189 CD1 ILE A 14 -4.451 7.225 -4.212 1.00 0.00 C ATOM 0 H ILE A 14 -7.176 6.320 -7.093 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.881 4.753 -7.433 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.533 5.521 -5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.865 6.452 -6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.371 7.348 -6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.658 4.729 -3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.417 3.396 -4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.866 4.073 -5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.897 8.153 -4.354 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.371 7.432 -3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.842 6.522 -3.644 1.00 0.00 H new ATOM 201 N GLU A 15 -7.350 3.104 -5.947 1.00 0.00 N ATOM 202 CA GLU A 15 -7.912 1.775 -5.738 1.00 0.00 C ATOM 203 C GLU A 15 -8.158 1.072 -7.070 1.00 0.00 C ATOM 204 O GLU A 15 -7.690 -0.044 -7.290 1.00 0.00 O ATOM 205 CB GLU A 15 -9.220 1.868 -4.949 1.00 0.00 C ATOM 206 CG GLU A 15 -9.021 2.168 -3.473 1.00 0.00 C ATOM 207 CD GLU A 15 -10.281 2.687 -2.808 1.00 0.00 C ATOM 208 OE1 GLU A 15 -11.313 1.985 -2.865 1.00 0.00 O ATOM 209 OE2 GLU A 15 -10.235 3.793 -2.231 1.00 0.00 O ATOM 0 H GLU A 15 -7.825 3.848 -5.437 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.192 1.190 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.845 2.646 -5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.763 0.928 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.692 1.262 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.225 2.904 -3.360 1.00 0.00 H new ATOM 216 N GLU A 16 -8.897 1.735 -7.955 1.00 0.00 N ATOM 217 CA GLU A 16 -9.206 1.173 -9.265 1.00 0.00 C ATOM 218 C GLU A 16 -8.042 0.335 -9.786 1.00 0.00 C ATOM 219 O GLU A 16 -8.242 -0.679 -10.455 1.00 0.00 O ATOM 220 CB GLU A 16 -9.531 2.290 -10.259 1.00 0.00 C ATOM 221 CG GLU A 16 -11.005 2.656 -10.304 1.00 0.00 C ATOM 222 CD GLU A 16 -11.429 3.206 -11.652 1.00 0.00 C ATOM 223 OE1 GLU A 16 -11.095 2.580 -12.679 1.00 0.00 O ATOM 224 OE2 GLU A 16 -12.093 4.263 -11.679 1.00 0.00 O ATOM 0 H GLU A 16 -9.292 2.661 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.077 0.526 -9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.953 3.177 -9.998 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.211 1.983 -11.255 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.602 1.774 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.216 3.396 -9.532 1.00 0.00 H new ATOM 231 N LYS A 17 -6.824 0.767 -9.475 1.00 0.00 N ATOM 232 CA LYS A 17 -5.627 0.058 -9.910 1.00 0.00 C ATOM 233 C LYS A 17 -5.285 -1.074 -8.947 1.00 0.00 C ATOM 234 O LYS A 17 -5.307 -2.248 -9.320 1.00 0.00 O ATOM 235 CB LYS A 17 -4.446 1.027 -10.016 1.00 0.00 C ATOM 236 CG LYS A 17 -4.510 1.933 -11.233 1.00 0.00 C ATOM 237 CD LYS A 17 -3.161 2.568 -11.527 1.00 0.00 C ATOM 238 CE LYS A 17 -3.264 3.612 -12.628 1.00 0.00 C ATOM 239 NZ LYS A 17 -3.164 3.000 -13.983 1.00 0.00 N ATOM 0 H LYS A 17 -6.640 1.605 -8.923 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.826 -0.372 -10.892 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.410 1.642 -9.117 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.519 0.455 -10.048 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.839 1.358 -12.099 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.252 2.714 -11.068 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.770 3.031 -10.621 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.451 1.796 -11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.212 4.143 -12.538 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.472 4.351 -12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.239 3.744 -14.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.249 2.515 -14.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.935 2.314 -14.112 1.00 0.00 H new ATOM 253 N LEU A 18 -4.969 -0.715 -7.708 1.00 0.00 N ATOM 254 CA LEU A 18 -4.624 -1.702 -6.690 1.00 0.00 C ATOM 255 C LEU A 18 -5.452 -2.971 -6.860 1.00 0.00 C ATOM 256 O LEU A 18 -4.956 -4.079 -6.654 1.00 0.00 O ATOM 257 CB LEU A 18 -4.842 -1.119 -5.292 1.00 0.00 C ATOM 258 CG LEU A 18 -4.115 0.191 -4.990 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.651 0.817 -3.712 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.615 -0.044 -4.882 1.00 0.00 C ATOM 0 H LEU A 18 -4.944 0.252 -7.384 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.571 -1.959 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.911 -0.959 -5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.530 -1.862 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.296 0.883 -5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.121 1.749 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.715 1.022 -3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.501 0.130 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.113 0.900 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.415 -0.753 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.241 -0.447 -5.823 1.00 0.00 H new ATOM 272 N ARG A 19 -6.715 -2.802 -7.237 1.00 0.00 N ATOM 273 CA ARG A 19 -7.611 -3.935 -7.435 1.00 0.00 C ATOM 274 C ARG A 19 -6.955 -5.001 -8.307 1.00 0.00 C ATOM 275 O ARG A 19 -6.917 -6.177 -7.944 1.00 0.00 O ATOM 276 CB ARG A 19 -8.920 -3.471 -8.077 1.00 0.00 C ATOM 277 CG ARG A 19 -9.899 -2.857 -7.089 1.00 0.00 C ATOM 278 CD ARG A 19 -11.285 -2.711 -7.696 1.00 0.00 C ATOM 279 NE ARG A 19 -12.037 -3.962 -7.651 1.00 0.00 N ATOM 280 CZ ARG A 19 -13.323 -4.059 -7.970 1.00 0.00 C ATOM 281 NH1 ARG A 19 -13.996 -2.984 -8.356 1.00 0.00 N ATOM 282 NH2 ARG A 19 -13.938 -5.233 -7.904 1.00 0.00 N ATOM 0 H ARG A 19 -7.141 -1.892 -7.411 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.827 -4.370 -6.459 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.695 -2.740 -8.854 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.396 -4.321 -8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.955 -3.480 -6.196 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.534 -1.880 -6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.836 -1.938 -7.160 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.195 -2.379 -8.730 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.548 -4.808 -7.359 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.526 -2.080 -8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.983 -3.061 -8.600 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.423 -6.062 -7.608 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.925 -5.306 -8.149 1.00 0.00 H new ATOM 296 N ALA A 20 -6.440 -4.583 -9.458 1.00 0.00 N ATOM 297 CA ALA A 20 -5.784 -5.501 -10.381 1.00 0.00 C ATOM 298 C ALA A 20 -4.286 -5.574 -10.110 1.00 0.00 C ATOM 299 O ALA A 20 -3.634 -6.566 -10.437 1.00 0.00 O ATOM 300 CB ALA A 20 -6.043 -5.078 -11.820 1.00 0.00 C ATOM 0 H ALA A 20 -6.464 -3.614 -9.774 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.203 -6.495 -10.226 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.547 -5.772 -12.498 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.116 -5.085 -12.014 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.652 -4.073 -11.980 1.00 0.00 H new ATOM 306 N ALA A 21 -3.745 -4.518 -9.512 1.00 0.00 N ATOM 307 CA ALA A 21 -2.323 -4.464 -9.196 1.00 0.00 C ATOM 308 C ALA A 21 -1.895 -5.678 -8.378 1.00 0.00 C ATOM 309 O ALA A 21 -1.040 -6.455 -8.803 1.00 0.00 O ATOM 310 CB ALA A 21 -1.997 -3.180 -8.448 1.00 0.00 C ATOM 0 H ALA A 21 -4.270 -3.688 -9.237 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.767 -4.477 -10.134 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.932 -3.153 -8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.256 -2.322 -9.068 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.569 -3.144 -7.521 1.00 0.00 H new ATOM 316 N PHE A 22 -2.495 -5.835 -7.203 1.00 0.00 N ATOM 317 CA PHE A 22 -2.175 -6.954 -6.324 1.00 0.00 C ATOM 318 C PHE A 22 -3.381 -7.873 -6.153 1.00 0.00 C ATOM 319 O PHE A 22 -3.236 -9.090 -6.050 1.00 0.00 O ATOM 320 CB PHE A 22 -1.712 -6.441 -4.959 1.00 0.00 C ATOM 321 CG PHE A 22 -0.458 -5.616 -5.023 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.783 -6.224 -5.119 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.522 -4.232 -4.985 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.938 -5.467 -5.178 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.630 -3.470 -5.044 1.00 0.00 C ATOM 326 CZ PHE A 22 1.861 -4.088 -5.140 1.00 0.00 C ATOM 0 H PHE A 22 -3.206 -5.201 -6.837 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.368 -7.525 -6.782 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.508 -5.844 -4.515 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.545 -7.291 -4.298 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.849 -7.302 -5.148 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.482 -3.744 -4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.900 -5.953 -5.254 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.567 -2.392 -5.015 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.762 -3.494 -5.185 1.00 0.00 H new ATOM 336 N GLN A 23 -4.570 -7.279 -6.122 1.00 0.00 N ATOM 337 CA GLN A 23 -5.801 -8.044 -5.962 1.00 0.00 C ATOM 338 C GLN A 23 -5.900 -8.628 -4.556 1.00 0.00 C ATOM 339 O GLN A 23 -6.096 -9.829 -4.369 1.00 0.00 O ATOM 340 CB GLN A 23 -5.868 -9.167 -6.999 1.00 0.00 C ATOM 341 CG GLN A 23 -5.355 -8.759 -8.370 1.00 0.00 C ATOM 342 CD GLN A 23 -5.298 -9.922 -9.341 1.00 0.00 C ATOM 343 OE1 GLN A 23 -6.301 -10.594 -9.583 1.00 0.00 O ATOM 344 NE2 GLN A 23 -4.120 -10.166 -9.905 1.00 0.00 N ATOM 0 H GLN A 23 -4.707 -6.272 -6.205 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.642 -7.367 -6.115 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.287 -10.017 -6.641 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.901 -9.504 -7.092 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.000 -7.981 -8.778 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.360 -8.327 -8.268 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.314 -9.584 -9.676 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.021 -10.935 -10.567 1.00 0.00 H new ATOM 353 N PRO A 24 -5.760 -7.760 -3.543 1.00 0.00 N ATOM 354 CA PRO A 24 -5.830 -8.167 -2.137 1.00 0.00 C ATOM 355 C PRO A 24 -7.239 -8.576 -1.721 1.00 0.00 C ATOM 356 O PRO A 24 -8.118 -8.757 -2.564 1.00 0.00 O ATOM 357 CB PRO A 24 -5.395 -6.909 -1.381 1.00 0.00 C ATOM 358 CG PRO A 24 -5.722 -5.783 -2.300 1.00 0.00 C ATOM 359 CD PRO A 24 -5.524 -6.314 -3.693 1.00 0.00 C ATOM 0 HA PRO A 24 -5.209 -9.039 -1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.925 -6.813 -0.433 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.330 -6.935 -1.149 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.748 -5.445 -2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.074 -4.926 -2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.223 -5.864 -4.398 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.520 -6.107 -4.063 1.00 0.00 H new ATOM 367 N VAL A 25 -7.448 -8.721 -0.416 1.00 0.00 N ATOM 368 CA VAL A 25 -8.751 -9.108 0.111 1.00 0.00 C ATOM 369 C VAL A 25 -9.491 -7.905 0.684 1.00 0.00 C ATOM 370 O VAL A 25 -10.721 -7.892 0.749 1.00 0.00 O ATOM 371 CB VAL A 25 -8.617 -10.183 1.206 1.00 0.00 C ATOM 372 CG1 VAL A 25 -8.084 -11.481 0.618 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.718 -9.689 2.330 1.00 0.00 C ATOM 0 H VAL A 25 -6.731 -8.576 0.295 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.320 -9.518 -0.723 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.606 -10.379 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.996 -12.229 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.769 -11.841 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.104 -11.304 0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.634 -10.461 3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.729 -9.464 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.146 -8.788 2.769 1.00 0.00 H new ATOM 383 N PHE A 26 -8.734 -6.894 1.099 1.00 0.00 N ATOM 384 CA PHE A 26 -9.318 -5.685 1.667 1.00 0.00 C ATOM 385 C PHE A 26 -8.849 -4.446 0.910 1.00 0.00 C ATOM 386 O PHE A 26 -7.759 -4.431 0.336 1.00 0.00 O ATOM 387 CB PHE A 26 -8.950 -5.562 3.147 1.00 0.00 C ATOM 388 CG PHE A 26 -9.798 -4.574 3.896 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.026 -4.949 4.417 1.00 0.00 C ATOM 390 CD2 PHE A 26 -9.367 -3.270 4.078 1.00 0.00 C ATOM 391 CE1 PHE A 26 -11.808 -4.042 5.107 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.145 -2.359 4.768 1.00 0.00 C ATOM 393 CZ PHE A 26 -11.367 -2.745 5.282 1.00 0.00 C ATOM 0 H PHE A 26 -7.715 -6.888 1.052 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.402 -5.757 1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.044 -6.540 3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.904 -5.267 3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.376 -5.962 4.282 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.413 -2.962 3.677 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.763 -4.347 5.509 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.797 -1.346 4.905 1.00 0.00 H new ATOM 0 HZ PHE A 26 -11.977 -2.034 5.820 1.00 0.00 H new ATOM 403 N LEU A 27 -9.678 -3.408 0.913 1.00 0.00 N ATOM 404 CA LEU A 27 -9.349 -2.164 0.227 1.00 0.00 C ATOM 405 C LEU A 27 -10.194 -1.010 0.757 1.00 0.00 C ATOM 406 O LEU A 27 -11.418 -1.106 0.828 1.00 0.00 O ATOM 407 CB LEU A 27 -9.563 -2.317 -1.280 1.00 0.00 C ATOM 408 CG LEU A 27 -8.659 -1.470 -2.176 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.201 -1.856 -1.982 1.00 0.00 C ATOM 410 CD2 LEU A 27 -9.063 -1.621 -3.635 1.00 0.00 C ATOM 0 H LEU A 27 -10.583 -3.403 1.383 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.300 -1.940 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.421 -3.365 -1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.600 -2.069 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.777 -0.424 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.573 -1.242 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.917 -1.696 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.066 -2.907 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.409 -1.011 -4.259 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.975 -2.666 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.095 -1.294 -3.763 1.00 0.00 H new ATOM 422 N GLU A 28 -9.530 0.082 1.127 1.00 0.00 N ATOM 423 CA GLU A 28 -10.221 1.255 1.649 1.00 0.00 C ATOM 424 C GLU A 28 -9.283 2.457 1.710 1.00 0.00 C ATOM 425 O GLU A 28 -8.212 2.393 2.313 1.00 0.00 O ATOM 426 CB GLU A 28 -10.786 0.964 3.041 1.00 0.00 C ATOM 427 CG GLU A 28 -11.627 2.096 3.605 1.00 0.00 C ATOM 428 CD GLU A 28 -13.065 2.050 3.126 1.00 0.00 C ATOM 429 OE1 GLU A 28 -13.564 0.938 2.855 1.00 0.00 O ATOM 430 OE2 GLU A 28 -13.691 3.125 3.022 1.00 0.00 O ATOM 0 H GLU A 28 -8.516 0.178 1.075 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.043 1.491 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.393 0.060 2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.961 0.761 3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.609 2.049 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.183 3.050 3.320 1.00 0.00 H new ATOM 437 N VAL A 29 -9.694 3.553 1.079 1.00 0.00 N ATOM 438 CA VAL A 29 -8.891 4.770 1.061 1.00 0.00 C ATOM 439 C VAL A 29 -9.658 5.943 1.662 1.00 0.00 C ATOM 440 O VAL A 29 -10.877 6.041 1.517 1.00 0.00 O ATOM 441 CB VAL A 29 -8.457 5.135 -0.371 1.00 0.00 C ATOM 442 CG1 VAL A 29 -7.576 6.375 -0.363 1.00 0.00 C ATOM 443 CG2 VAL A 29 -7.737 3.964 -1.024 1.00 0.00 C ATOM 0 H VAL A 29 -10.578 3.623 0.574 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.004 4.573 1.663 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.349 5.356 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.279 6.617 -1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.130 7.212 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.687 6.186 0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.437 4.239 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.853 3.709 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.405 3.103 -1.065 1.00 0.00 H new ATOM 453 N VAL A 30 -8.936 6.831 2.337 1.00 0.00 N ATOM 454 CA VAL A 30 -9.548 7.999 2.959 1.00 0.00 C ATOM 455 C VAL A 30 -9.136 9.282 2.245 1.00 0.00 C ATOM 456 O VAL A 30 -8.013 9.760 2.406 1.00 0.00 O ATOM 457 CB VAL A 30 -9.166 8.107 4.447 1.00 0.00 C ATOM 458 CG1 VAL A 30 -9.794 9.344 5.072 1.00 0.00 C ATOM 459 CG2 VAL A 30 -9.582 6.851 5.197 1.00 0.00 C ATOM 0 H VAL A 30 -7.927 6.764 2.467 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.627 7.872 2.877 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.083 8.203 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.513 9.403 6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.441 10.234 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.879 9.282 4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.304 6.945 6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.661 6.720 5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.079 5.986 4.765 1.00 0.00 H new ATOM 469 N ASP A 31 -10.051 9.833 1.456 1.00 0.00 N ATOM 470 CA ASP A 31 -9.784 11.062 0.718 1.00 0.00 C ATOM 471 C ASP A 31 -10.409 12.264 1.419 1.00 0.00 C ATOM 472 O ASP A 31 -11.587 12.244 1.773 1.00 0.00 O ATOM 473 CB ASP A 31 -10.322 10.952 -0.709 1.00 0.00 C ATOM 474 CG ASP A 31 -9.958 12.153 -1.560 1.00 0.00 C ATOM 475 OD1 ASP A 31 -8.749 12.425 -1.717 1.00 0.00 O ATOM 476 OD2 ASP A 31 -10.882 12.822 -2.068 1.00 0.00 O ATOM 0 H ASP A 31 -10.984 9.448 1.311 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.704 11.207 0.681 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.928 10.048 -1.174 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.407 10.848 -0.678 1.00 0.00 H new ATOM 481 N GLU A 32 -9.610 13.309 1.617 1.00 0.00 N ATOM 482 CA GLU A 32 -10.086 14.518 2.278 1.00 0.00 C ATOM 483 C GLU A 32 -10.317 15.636 1.265 1.00 0.00 C ATOM 484 O GLU A 32 -9.376 16.129 0.643 1.00 0.00 O ATOM 485 CB GLU A 32 -9.082 14.975 3.338 1.00 0.00 C ATOM 486 CG GLU A 32 -8.880 13.969 4.459 1.00 0.00 C ATOM 487 CD GLU A 32 -9.882 14.140 5.584 1.00 0.00 C ATOM 488 OE1 GLU A 32 -11.096 14.004 5.322 1.00 0.00 O ATOM 489 OE2 GLU A 32 -9.454 14.408 6.725 1.00 0.00 O ATOM 0 H GLU A 32 -8.632 13.342 1.329 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.035 14.288 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.123 15.169 2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.421 15.919 3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.961 12.960 4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.871 14.073 4.858 1.00 0.00 H new ATOM 686 N PHE A 46 -4.321 11.778 3.849 1.00 0.00 N ATOM 687 CA PHE A 46 -4.519 10.661 2.932 1.00 0.00 C ATOM 688 C PHE A 46 -4.074 9.348 3.570 1.00 0.00 C ATOM 689 O PHE A 46 -2.954 9.235 4.070 1.00 0.00 O ATOM 690 CB PHE A 46 -3.747 10.898 1.633 1.00 0.00 C ATOM 691 CG PHE A 46 -4.388 10.266 0.431 1.00 0.00 C ATOM 692 CD1 PHE A 46 -5.740 10.438 0.179 1.00 0.00 C ATOM 693 CD2 PHE A 46 -3.639 9.500 -0.448 1.00 0.00 C ATOM 694 CE1 PHE A 46 -6.332 9.857 -0.926 1.00 0.00 C ATOM 695 CE2 PHE A 46 -4.226 8.917 -1.555 1.00 0.00 C ATOM 696 CZ PHE A 46 -5.575 9.097 -1.795 1.00 0.00 C ATOM 0 HA PHE A 46 -5.583 10.592 2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.656 11.971 1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.736 10.506 1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.337 11.033 0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.584 9.357 -0.266 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.387 9.997 -1.110 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.631 8.321 -2.232 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.036 8.644 -2.660 1.00 0.00 H new ATOM 706 N LYS A 47 -4.959 8.357 3.549 1.00 0.00 N ATOM 707 CA LYS A 47 -4.660 7.051 4.124 1.00 0.00 C ATOM 708 C LYS A 47 -5.216 5.932 3.250 1.00 0.00 C ATOM 709 O LYS A 47 -6.370 5.978 2.825 1.00 0.00 O ATOM 710 CB LYS A 47 -5.241 6.947 5.536 1.00 0.00 C ATOM 711 CG LYS A 47 -5.051 5.581 6.173 1.00 0.00 C ATOM 712 CD LYS A 47 -6.086 5.322 7.255 1.00 0.00 C ATOM 713 CE LYS A 47 -7.372 4.755 6.672 1.00 0.00 C ATOM 714 NZ LYS A 47 -8.531 4.957 7.585 1.00 0.00 N ATOM 0 H LYS A 47 -5.890 8.434 3.140 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.577 6.944 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.774 7.702 6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.306 7.177 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.122 4.808 5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.051 5.514 6.601 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.680 4.626 7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.303 6.251 7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.577 5.232 5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.244 3.690 6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.417 4.812 7.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.478 4.276 8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.509 5.925 7.965 1.00 0.00 H new ATOM 728 N VAL A 48 -4.388 4.925 2.987 1.00 0.00 N ATOM 729 CA VAL A 48 -4.799 3.793 2.167 1.00 0.00 C ATOM 730 C VAL A 48 -4.610 2.476 2.912 1.00 0.00 C ATOM 731 O VAL A 48 -3.544 2.213 3.469 1.00 0.00 O ATOM 732 CB VAL A 48 -4.007 3.740 0.846 1.00 0.00 C ATOM 733 CG1 VAL A 48 -4.128 2.366 0.206 1.00 0.00 C ATOM 734 CG2 VAL A 48 -4.486 4.825 -0.106 1.00 0.00 C ATOM 0 H VAL A 48 -3.429 4.871 3.330 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.857 3.932 1.944 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.955 3.920 1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.562 2.347 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.732 1.612 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.176 2.152 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.916 4.773 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.544 4.678 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.342 5.803 0.354 1.00 0.00 H new ATOM 744 N VAL A 49 -5.652 1.651 2.919 1.00 0.00 N ATOM 745 CA VAL A 49 -5.601 0.361 3.595 1.00 0.00 C ATOM 746 C VAL A 49 -5.602 -0.786 2.591 1.00 0.00 C ATOM 747 O VAL A 49 -6.457 -0.852 1.707 1.00 0.00 O ATOM 748 CB VAL A 49 -6.790 0.185 4.559 1.00 0.00 C ATOM 749 CG1 VAL A 49 -6.693 -1.146 5.289 1.00 0.00 C ATOM 750 CG2 VAL A 49 -6.850 1.341 5.546 1.00 0.00 C ATOM 0 H VAL A 49 -6.542 1.854 2.464 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.673 0.340 4.166 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.711 0.186 3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.541 -1.253 5.965 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.702 -1.960 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.766 -1.180 5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.696 1.201 6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.927 1.374 6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.971 2.278 5.002 1.00 0.00 H new ATOM 760 N LEU A 50 -4.638 -1.689 2.732 1.00 0.00 N ATOM 761 CA LEU A 50 -4.527 -2.836 1.837 1.00 0.00 C ATOM 762 C LEU A 50 -4.095 -4.083 2.601 1.00 0.00 C ATOM 763 O LEU A 50 -2.949 -4.191 3.038 1.00 0.00 O ATOM 764 CB LEU A 50 -3.528 -2.539 0.717 1.00 0.00 C ATOM 765 CG LEU A 50 -3.314 -3.656 -0.305 1.00 0.00 C ATOM 766 CD1 LEU A 50 -2.936 -3.075 -1.659 1.00 0.00 C ATOM 767 CD2 LEU A 50 -2.244 -4.624 0.180 1.00 0.00 C ATOM 0 H LEU A 50 -3.922 -1.649 3.457 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.509 -3.021 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.862 -1.647 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.566 -2.299 1.170 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.249 -4.205 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.788 -3.885 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.735 -2.422 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.014 -2.501 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.105 -5.413 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.305 -4.088 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.555 -5.065 1.127 1.00 0.00 H new ATOM 779 N VAL A 51 -5.020 -5.025 2.758 1.00 0.00 N ATOM 780 CA VAL A 51 -4.734 -6.267 3.467 1.00 0.00 C ATOM 781 C VAL A 51 -4.388 -7.388 2.493 1.00 0.00 C ATOM 782 O VAL A 51 -5.182 -7.730 1.617 1.00 0.00 O ATOM 783 CB VAL A 51 -5.928 -6.706 4.334 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.636 -8.036 5.012 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.260 -5.636 5.364 1.00 0.00 C ATOM 0 H VAL A 51 -5.974 -4.952 2.404 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.878 -6.073 4.113 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.795 -6.838 3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.491 -8.330 5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.451 -8.798 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.756 -7.935 5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.106 -5.963 5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.396 -5.471 6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.515 -4.707 4.854 1.00 0.00 H new ATOM 795 N SER A 52 -3.198 -7.957 2.653 1.00 0.00 N ATOM 796 CA SER A 52 -2.745 -9.039 1.786 1.00 0.00 C ATOM 797 C SER A 52 -1.767 -9.951 2.520 1.00 0.00 C ATOM 798 O SER A 52 -1.113 -9.536 3.477 1.00 0.00 O ATOM 799 CB SER A 52 -2.083 -8.470 0.529 1.00 0.00 C ATOM 800 OG SER A 52 -1.583 -9.506 -0.298 1.00 0.00 O ATOM 0 H SER A 52 -2.530 -7.687 3.375 1.00 0.00 H new ATOM 0 HA SER A 52 -3.616 -9.627 1.496 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.805 -7.873 -0.028 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.269 -7.803 0.813 1.00 0.00 H new ATOM 0 HG SER A 52 -1.167 -9.116 -1.095 1.00 0.00 H new ATOM 806 N ASP A 53 -1.673 -11.195 2.065 1.00 0.00 N ATOM 807 CA ASP A 53 -0.775 -12.168 2.677 1.00 0.00 C ATOM 808 C ASP A 53 0.660 -11.954 2.205 1.00 0.00 C ATOM 809 O ASP A 53 1.609 -12.153 2.964 1.00 0.00 O ATOM 810 CB ASP A 53 -1.228 -13.591 2.347 1.00 0.00 C ATOM 811 CG ASP A 53 -0.610 -14.624 3.269 1.00 0.00 C ATOM 812 OD1 ASP A 53 -1.061 -14.730 4.429 1.00 0.00 O ATOM 813 OD2 ASP A 53 0.325 -15.326 2.831 1.00 0.00 O ATOM 0 H ASP A 53 -2.208 -11.554 1.274 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.808 -12.027 3.757 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.314 -13.649 2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.963 -13.824 1.316 1.00 0.00 H new ATOM 818 N ARG A 54 0.810 -11.550 0.948 1.00 0.00 N ATOM 819 CA ARG A 54 2.129 -11.312 0.374 1.00 0.00 C ATOM 820 C ARG A 54 3.049 -10.637 1.387 1.00 0.00 C ATOM 821 O ARG A 54 4.269 -10.793 1.334 1.00 0.00 O ATOM 822 CB ARG A 54 2.013 -10.447 -0.882 1.00 0.00 C ATOM 823 CG ARG A 54 1.766 -11.246 -2.151 1.00 0.00 C ATOM 824 CD ARG A 54 3.024 -11.966 -2.610 1.00 0.00 C ATOM 825 NE ARG A 54 3.838 -11.137 -3.495 1.00 0.00 N ATOM 826 CZ ARG A 54 5.105 -11.402 -3.790 1.00 0.00 C ATOM 827 NH1 ARG A 54 5.701 -12.468 -3.274 1.00 0.00 N ATOM 828 NH2 ARG A 54 5.780 -10.599 -4.604 1.00 0.00 N ATOM 0 H ARG A 54 0.034 -11.381 0.307 1.00 0.00 H new ATOM 0 HA ARG A 54 2.560 -12.276 0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.200 -9.734 -0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.929 -9.868 -1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.973 -11.973 -1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.419 -10.579 -2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.614 -12.255 -1.740 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.747 -12.885 -3.127 1.00 0.00 H new ATOM 0 HE ARG A 54 3.410 -10.309 -3.909 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.186 -13.087 -2.648 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.675 -12.669 -3.503 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.325 -9.778 -5.003 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.753 -10.803 -4.830 1.00 0.00 H new ATOM 842 N PHE A 55 2.455 -9.887 2.310 1.00 0.00 N ATOM 843 CA PHE A 55 3.221 -9.186 3.334 1.00 0.00 C ATOM 844 C PHE A 55 3.333 -10.029 4.601 1.00 0.00 C ATOM 845 O PHE A 55 3.237 -9.514 5.715 1.00 0.00 O ATOM 846 CB PHE A 55 2.568 -7.841 3.659 1.00 0.00 C ATOM 847 CG PHE A 55 2.267 -7.012 2.444 1.00 0.00 C ATOM 848 CD1 PHE A 55 3.279 -6.335 1.783 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.972 -6.908 1.963 1.00 0.00 C ATOM 850 CE1 PHE A 55 3.006 -5.571 0.664 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.693 -6.146 0.844 1.00 0.00 C ATOM 852 CZ PHE A 55 1.711 -5.475 0.195 1.00 0.00 C ATOM 0 H PHE A 55 1.446 -9.749 2.370 1.00 0.00 H new ATOM 0 HA PHE A 55 4.224 -9.010 2.945 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.642 -8.018 4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.226 -7.277 4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.294 -6.405 2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.171 -7.428 2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.805 -5.050 0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.320 -6.075 0.477 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.494 -4.876 -0.678 1.00 0.00 H new ATOM 961 N ASN A 62 10.056 -2.245 1.488 1.00 0.00 N ATOM 962 CA ASN A 62 9.643 -2.938 0.273 1.00 0.00 C ATOM 963 C ASN A 62 8.143 -2.787 0.044 1.00 0.00 C ATOM 964 O ASN A 62 7.712 -2.153 -0.920 1.00 0.00 O ATOM 965 CB ASN A 62 10.011 -4.421 0.357 1.00 0.00 C ATOM 966 CG ASN A 62 9.260 -5.261 -0.658 1.00 0.00 C ATOM 967 OD1 ASN A 62 9.055 -4.842 -1.797 1.00 0.00 O ATOM 968 ND2 ASN A 62 8.846 -6.454 -0.247 1.00 0.00 N ATOM 0 HA ASN A 62 10.168 -2.487 -0.569 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.083 -4.536 0.198 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.796 -4.790 1.360 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.335 -7.064 -0.885 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.039 -6.760 0.707 1.00 0.00 H new ATOM 975 N ARG A 63 7.352 -3.374 0.936 1.00 0.00 N ATOM 976 CA ARG A 63 5.899 -3.305 0.831 1.00 0.00 C ATOM 977 C ARG A 63 5.450 -1.914 0.394 1.00 0.00 C ATOM 978 O ARG A 63 4.375 -1.749 -0.183 1.00 0.00 O ATOM 979 CB ARG A 63 5.252 -3.664 2.170 1.00 0.00 C ATOM 980 CG ARG A 63 5.420 -2.592 3.234 1.00 0.00 C ATOM 981 CD ARG A 63 4.538 -2.864 4.443 1.00 0.00 C ATOM 982 NE ARG A 63 4.795 -1.923 5.531 1.00 0.00 N ATOM 983 CZ ARG A 63 4.325 -2.079 6.763 1.00 0.00 C ATOM 984 NH1 ARG A 63 3.579 -3.133 7.063 1.00 0.00 N ATOM 985 NH2 ARG A 63 4.602 -1.180 7.699 1.00 0.00 N ATOM 0 H ARG A 63 7.692 -3.903 1.739 1.00 0.00 H new ATOM 0 HA ARG A 63 5.580 -4.024 0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.189 -3.845 2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.684 -4.596 2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.463 -2.548 3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.172 -1.618 2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.490 -2.801 4.149 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.709 -3.881 4.795 1.00 0.00 H new ATOM 0 HE ARG A 63 5.367 -1.102 5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.365 -3.827 6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.219 -3.250 8.010 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.176 -0.368 7.472 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.240 -1.301 8.645 1.00 0.00 H new ATOM 999 N HIS A 64 6.282 -0.915 0.673 1.00 0.00 N ATOM 1000 CA HIS A 64 5.971 0.463 0.309 1.00 0.00 C ATOM 1001 C HIS A 64 6.570 0.814 -1.050 1.00 0.00 C ATOM 1002 O HIS A 64 5.981 1.572 -1.821 1.00 0.00 O ATOM 1003 CB HIS A 64 6.496 1.426 1.375 1.00 0.00 C ATOM 1004 CG HIS A 64 5.546 1.633 2.514 1.00 0.00 C ATOM 1005 ND1 HIS A 64 5.680 2.657 3.428 1.00 0.00 N ATOM 1006 CD2 HIS A 64 4.443 0.943 2.884 1.00 0.00 C ATOM 1007 CE1 HIS A 64 4.700 2.586 4.312 1.00 0.00 C ATOM 1008 NE2 HIS A 64 3.935 1.555 4.004 1.00 0.00 N ATOM 0 H HIS A 64 7.176 -1.034 1.150 1.00 0.00 H new ATOM 0 HA HIS A 64 4.887 0.560 0.245 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.440 1.045 1.764 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.709 2.389 0.910 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.037 0.072 2.390 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.550 3.257 5.145 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.102 1.261 4.515 1.00 0.00 H new ATOM 1017 N ARG A 65 7.743 0.258 -1.335 1.00 0.00 N ATOM 1018 CA ARG A 65 8.422 0.515 -2.600 1.00 0.00 C ATOM 1019 C ARG A 65 7.599 -0.006 -3.774 1.00 0.00 C ATOM 1020 O ARG A 65 7.657 0.539 -4.876 1.00 0.00 O ATOM 1021 CB ARG A 65 9.805 -0.140 -2.602 1.00 0.00 C ATOM 1022 CG ARG A 65 9.807 -1.557 -3.153 1.00 0.00 C ATOM 1023 CD ARG A 65 11.222 -2.093 -3.304 1.00 0.00 C ATOM 1024 NE ARG A 65 11.257 -3.336 -4.070 1.00 0.00 N ATOM 1025 CZ ARG A 65 11.115 -3.391 -5.389 1.00 0.00 C ATOM 1026 NH1 ARG A 65 10.930 -2.278 -6.086 1.00 0.00 N ATOM 1027 NH2 ARG A 65 11.158 -4.560 -6.015 1.00 0.00 N ATOM 0 H ARG A 65 8.243 -0.373 -0.708 1.00 0.00 H new ATOM 0 HA ARG A 65 8.537 1.593 -2.710 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.487 0.472 -3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.192 -0.155 -1.583 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.239 -2.208 -2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.305 -1.573 -4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.842 -1.345 -3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.653 -2.263 -2.317 1.00 0.00 H new ATOM 0 HE ARG A 65 11.398 -4.210 -3.564 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.897 -1.377 -5.609 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.821 -2.323 -7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.300 -5.419 -5.483 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.049 -4.600 -7.028 1.00 0.00 H new ATOM 1041 N MET A 66 6.833 -1.065 -3.530 1.00 0.00 N ATOM 1042 CA MET A 66 5.998 -1.659 -4.567 1.00 0.00 C ATOM 1043 C MET A 66 4.694 -0.882 -4.727 1.00 0.00 C ATOM 1044 O MET A 66 4.258 -0.606 -5.845 1.00 0.00 O ATOM 1045 CB MET A 66 5.696 -3.121 -4.234 1.00 0.00 C ATOM 1046 CG MET A 66 5.660 -3.410 -2.742 1.00 0.00 C ATOM 1047 SD MET A 66 4.853 -4.975 -2.357 1.00 0.00 S ATOM 1048 CE MET A 66 6.274 -6.018 -2.034 1.00 0.00 C ATOM 0 H MET A 66 6.774 -1.529 -2.623 1.00 0.00 H new ATOM 0 HA MET A 66 6.545 -1.614 -5.509 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.736 -3.394 -4.672 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.450 -3.755 -4.700 1.00 0.00 H new ATOM 0 HG2 MET A 66 6.679 -3.426 -2.354 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.137 -2.601 -2.232 1.00 0.00 H new ATOM 0 HE1 MET A 66 5.991 -7.064 -2.149 1.00 0.00 H new ATOM 0 HE2 MET A 66 7.070 -5.778 -2.739 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.627 -5.847 -1.017 1.00 0.00 H new ATOM 1058 N ILE A 67 4.078 -0.533 -3.603 1.00 0.00 N ATOM 1059 CA ILE A 67 2.825 0.212 -3.619 1.00 0.00 C ATOM 1060 C ILE A 67 2.984 1.539 -4.353 1.00 0.00 C ATOM 1061 O ILE A 67 2.286 1.807 -5.331 1.00 0.00 O ATOM 1062 CB ILE A 67 2.314 0.485 -2.192 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.955 -0.829 -1.494 1.00 0.00 C ATOM 1064 CG2 ILE A 67 1.112 1.417 -2.229 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.673 -1.451 -2.000 1.00 0.00 C ATOM 0 H ILE A 67 4.426 -0.754 -2.670 1.00 0.00 H new ATOM 0 HA ILE A 67 2.097 -0.406 -4.144 1.00 0.00 H new ATOM 0 HB ILE A 67 3.108 0.970 -1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.772 -1.538 -1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.864 -0.649 -0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.762 1.600 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.398 2.362 -2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.313 0.957 -2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.481 -2.379 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.155 -0.760 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.767 -1.663 -3.065 1.00 0.00 H new ATOM 1077 N TYR A 68 3.908 2.365 -3.876 1.00 0.00 N ATOM 1078 CA TYR A 68 4.159 3.665 -4.486 1.00 0.00 C ATOM 1079 C TYR A 68 4.591 3.510 -5.941 1.00 0.00 C ATOM 1080 O TYR A 68 4.310 4.366 -6.779 1.00 0.00 O ATOM 1081 CB TYR A 68 5.233 4.422 -3.701 1.00 0.00 C ATOM 1082 CG TYR A 68 4.772 4.886 -2.338 1.00 0.00 C ATOM 1083 CD1 TYR A 68 3.628 5.661 -2.197 1.00 0.00 C ATOM 1084 CD2 TYR A 68 5.482 4.550 -1.192 1.00 0.00 C ATOM 1085 CE1 TYR A 68 3.203 6.088 -0.953 1.00 0.00 C ATOM 1086 CE2 TYR A 68 5.064 4.971 0.056 1.00 0.00 C ATOM 1087 CZ TYR A 68 3.924 5.740 0.170 1.00 0.00 C ATOM 1088 OH TYR A 68 3.506 6.163 1.411 1.00 0.00 O ATOM 0 H TYR A 68 4.496 2.157 -3.069 1.00 0.00 H new ATOM 0 HA TYR A 68 3.230 4.235 -4.460 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.105 3.779 -3.581 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.553 5.287 -4.281 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.061 5.935 -3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.376 3.950 -1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.312 6.691 -0.861 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.626 4.700 0.937 1.00 0.00 H new ATOM 0 HH TYR A 68 4.124 5.831 2.095 1.00 0.00 H new ATOM 1098 N SER A 69 5.277 2.409 -6.233 1.00 0.00 N ATOM 1099 CA SER A 69 5.752 2.141 -7.586 1.00 0.00 C ATOM 1100 C SER A 69 4.581 1.960 -8.546 1.00 0.00 C ATOM 1101 O SER A 69 4.664 2.320 -9.721 1.00 0.00 O ATOM 1102 CB SER A 69 6.636 0.893 -7.600 1.00 0.00 C ATOM 1103 OG SER A 69 7.035 0.566 -8.920 1.00 0.00 O ATOM 0 H SER A 69 5.516 1.689 -5.551 1.00 0.00 H new ATOM 0 HA SER A 69 6.340 2.998 -7.915 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.518 1.061 -6.981 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.094 0.055 -7.162 1.00 0.00 H new ATOM 0 HG SER A 69 7.600 -0.234 -8.902 1.00 0.00 H new ATOM 1109 N THR A 70 3.488 1.398 -8.038 1.00 0.00 N ATOM 1110 CA THR A 70 2.300 1.167 -8.850 1.00 0.00 C ATOM 1111 C THR A 70 1.553 2.469 -9.114 1.00 0.00 C ATOM 1112 O THR A 70 1.194 2.770 -10.254 1.00 0.00 O ATOM 1113 CB THR A 70 1.343 0.168 -8.173 1.00 0.00 C ATOM 1114 OG1 THR A 70 2.005 -1.086 -7.971 1.00 0.00 O ATOM 1115 CG2 THR A 70 0.095 -0.043 -9.016 1.00 0.00 C ATOM 0 H THR A 70 3.401 1.095 -7.068 1.00 0.00 H new ATOM 0 HA THR A 70 2.641 0.748 -9.797 1.00 0.00 H new ATOM 0 HB THR A 70 1.046 0.581 -7.209 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.700 -0.983 -7.287 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.565 -0.752 -8.517 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.423 0.907 -9.143 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.378 -0.436 -9.993 1.00 0.00 H new ATOM 1123 N LEU A 71 1.322 3.238 -8.057 1.00 0.00 N ATOM 1124 CA LEU A 71 0.617 4.510 -8.175 1.00 0.00 C ATOM 1125 C LEU A 71 1.527 5.674 -7.793 1.00 0.00 C ATOM 1126 O LEU A 71 1.117 6.584 -7.074 1.00 0.00 O ATOM 1127 CB LEU A 71 -0.629 4.510 -7.288 1.00 0.00 C ATOM 1128 CG LEU A 71 -1.282 3.148 -7.049 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -0.673 2.470 -5.832 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.787 3.301 -6.879 1.00 0.00 C ATOM 0 H LEU A 71 1.612 3.004 -7.108 1.00 0.00 H new ATOM 0 HA LEU A 71 0.315 4.634 -9.215 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.363 4.938 -6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.370 5.172 -7.736 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.096 2.520 -7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.150 1.502 -5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.396 2.326 -5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.827 3.095 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.235 2.322 -6.710 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.993 3.947 -6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.212 3.744 -7.780 1.00 0.00 H new ATOM 1142 N ALA A 72 2.762 5.637 -8.281 1.00 0.00 N ATOM 1143 CA ALA A 72 3.728 6.691 -7.994 1.00 0.00 C ATOM 1144 C ALA A 72 3.356 7.986 -8.708 1.00 0.00 C ATOM 1145 O ALA A 72 3.741 9.073 -8.280 1.00 0.00 O ATOM 1146 CB ALA A 72 5.127 6.248 -8.397 1.00 0.00 C ATOM 0 H ALA A 72 3.118 4.889 -8.877 1.00 0.00 H new ATOM 0 HA ALA A 72 3.713 6.881 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.838 7.044 -8.177 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.400 5.353 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.146 6.029 -9.465 1.00 0.00 H new ATOM 1152 N GLU A 73 2.605 7.861 -9.798 1.00 0.00 N ATOM 1153 CA GLU A 73 2.183 9.023 -10.571 1.00 0.00 C ATOM 1154 C GLU A 73 0.808 9.507 -10.119 1.00 0.00 C ATOM 1155 O GLU A 73 0.428 10.649 -10.371 1.00 0.00 O ATOM 1156 CB GLU A 73 2.153 8.687 -12.063 1.00 0.00 C ATOM 1157 CG GLU A 73 3.532 8.584 -12.692 1.00 0.00 C ATOM 1158 CD GLU A 73 4.189 9.938 -12.883 1.00 0.00 C ATOM 1159 OE1 GLU A 73 3.498 10.872 -13.343 1.00 0.00 O ATOM 1160 OE2 GLU A 73 5.392 10.063 -12.573 1.00 0.00 O ATOM 0 H GLU A 73 2.277 6.968 -10.165 1.00 0.00 H new ATOM 0 HA GLU A 73 2.904 9.822 -10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.627 7.742 -12.203 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.580 9.452 -12.587 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.168 7.961 -12.063 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.451 8.084 -13.657 1.00 0.00 H new ATOM 1167 N GLU A 74 0.068 8.627 -9.452 1.00 0.00 N ATOM 1168 CA GLU A 74 -1.265 8.964 -8.966 1.00 0.00 C ATOM 1169 C GLU A 74 -1.202 10.089 -7.937 1.00 0.00 C ATOM 1170 O GLU A 74 -1.851 11.125 -8.091 1.00 0.00 O ATOM 1171 CB GLU A 74 -1.935 7.733 -8.351 1.00 0.00 C ATOM 1172 CG GLU A 74 -2.296 6.665 -9.369 1.00 0.00 C ATOM 1173 CD GLU A 74 -2.990 7.234 -10.591 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -4.184 7.585 -10.485 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -2.340 7.329 -11.653 1.00 0.00 O ATOM 0 H GLU A 74 0.368 7.676 -9.236 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.857 9.305 -9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.268 7.301 -7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.839 8.045 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.390 6.144 -9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.944 5.925 -8.899 1.00 0.00 H new ATOM 1182 N LEU A 75 -0.415 9.879 -6.887 1.00 0.00 N ATOM 1183 CA LEU A 75 -0.266 10.874 -5.832 1.00 0.00 C ATOM 1184 C LEU A 75 0.551 12.067 -6.319 1.00 0.00 C ATOM 1185 O LEU A 75 0.333 13.199 -5.888 1.00 0.00 O ATOM 1186 CB LEU A 75 0.403 10.250 -4.606 1.00 0.00 C ATOM 1187 CG LEU A 75 1.844 9.775 -4.797 1.00 0.00 C ATOM 1188 CD1 LEU A 75 2.618 9.879 -3.492 1.00 0.00 C ATOM 1189 CD2 LEU A 75 1.870 8.347 -5.322 1.00 0.00 C ATOM 0 H LEU A 75 0.129 9.028 -6.744 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.260 11.226 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.386 10.980 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.198 9.401 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 75 2.324 10.420 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.641 9.537 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.629 10.916 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.139 9.259 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.903 8.026 -5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.372 7.689 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.353 8.302 -6.281 1.00 0.00 H new ATOM 1201 N SER A 76 1.490 11.805 -7.222 1.00 0.00 N ATOM 1202 CA SER A 76 2.341 12.856 -7.767 1.00 0.00 C ATOM 1203 C SER A 76 1.517 13.862 -8.565 1.00 0.00 C ATOM 1204 O SER A 76 2.026 14.898 -8.994 1.00 0.00 O ATOM 1205 CB SER A 76 3.429 12.251 -8.656 1.00 0.00 C ATOM 1206 OG SER A 76 4.440 13.201 -8.943 1.00 0.00 O ATOM 0 H SER A 76 1.681 10.874 -7.592 1.00 0.00 H new ATOM 0 HA SER A 76 2.812 13.377 -6.934 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.869 11.386 -8.160 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.986 11.894 -9.586 1.00 0.00 H new ATOM 0 HG SER A 76 4.060 14.104 -8.907 1.00 0.00 H new ATOM 1212 N THR A 77 0.240 13.549 -8.762 1.00 0.00 N ATOM 1213 CA THR A 77 -0.655 14.423 -9.509 1.00 0.00 C ATOM 1214 C THR A 77 -1.050 15.641 -8.683 1.00 0.00 C ATOM 1215 O THR A 77 -0.796 16.781 -9.076 1.00 0.00 O ATOM 1216 CB THR A 77 -1.931 13.678 -9.947 1.00 0.00 C ATOM 1217 OG1 THR A 77 -1.582 12.491 -10.667 1.00 0.00 O ATOM 1218 CG2 THR A 77 -2.805 14.569 -10.817 1.00 0.00 C ATOM 0 H THR A 77 -0.197 12.696 -8.414 1.00 0.00 H new ATOM 0 HA THR A 77 -0.111 14.750 -10.395 1.00 0.00 H new ATOM 0 HB THR A 77 -2.493 13.407 -9.053 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.890 12.001 -10.175 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.700 14.022 -11.114 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.093 15.457 -10.255 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.250 14.867 -11.706 1.00 0.00 H new ATOM 1226 N THR A 78 -1.672 15.396 -7.534 1.00 0.00 N ATOM 1227 CA THR A 78 -2.102 16.473 -6.652 1.00 0.00 C ATOM 1228 C THR A 78 -1.725 16.182 -5.204 1.00 0.00 C ATOM 1229 O THR A 78 -1.391 17.092 -4.444 1.00 0.00 O ATOM 1230 CB THR A 78 -3.624 16.697 -6.739 1.00 0.00 C ATOM 1231 OG1 THR A 78 -3.986 17.886 -6.028 1.00 0.00 O ATOM 1232 CG2 THR A 78 -4.380 15.508 -6.167 1.00 0.00 C ATOM 0 H THR A 78 -1.889 14.460 -7.193 1.00 0.00 H new ATOM 0 HA THR A 78 -1.590 17.376 -6.984 1.00 0.00 H new ATOM 0 HB THR A 78 -3.893 16.807 -7.790 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.955 18.022 -6.090 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.452 15.690 -6.240 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.125 14.610 -6.730 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.105 15.371 -5.121 1.00 0.00 H new ATOM 1240 N VAL A 79 -1.781 14.909 -4.827 1.00 0.00 N ATOM 1241 CA VAL A 79 -1.443 14.498 -3.470 1.00 0.00 C ATOM 1242 C VAL A 79 0.039 14.713 -3.183 1.00 0.00 C ATOM 1243 O VAL A 79 0.864 14.722 -4.097 1.00 0.00 O ATOM 1244 CB VAL A 79 -1.791 13.017 -3.229 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -1.336 12.579 -1.845 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -3.284 12.786 -3.405 1.00 0.00 C ATOM 0 H VAL A 79 -2.057 14.144 -5.443 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.034 15.117 -2.796 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.263 12.413 -3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.591 11.530 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.257 12.707 -1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.834 13.186 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.512 11.734 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.834 13.400 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.577 13.058 -4.419 1.00 0.00 H new ATOM 1256 N HIS A 80 0.370 14.886 -1.907 1.00 0.00 N ATOM 1257 CA HIS A 80 1.754 15.100 -1.499 1.00 0.00 C ATOM 1258 C HIS A 80 2.236 13.967 -0.598 1.00 0.00 C ATOM 1259 O HIS A 80 3.174 13.247 -0.938 1.00 0.00 O ATOM 1260 CB HIS A 80 1.893 16.439 -0.774 1.00 0.00 C ATOM 1261 CG HIS A 80 1.399 17.606 -1.572 1.00 0.00 C ATOM 1262 ND1 HIS A 80 2.233 18.425 -2.303 1.00 0.00 N ATOM 1263 CD2 HIS A 80 0.147 18.089 -1.752 1.00 0.00 C ATOM 1264 CE1 HIS A 80 1.517 19.362 -2.897 1.00 0.00 C ATOM 1265 NE2 HIS A 80 0.248 19.181 -2.580 1.00 0.00 N ATOM 0 H HIS A 80 -0.301 14.882 -1.139 1.00 0.00 H new ATOM 0 HA HIS A 80 2.373 15.116 -2.396 1.00 0.00 H new ATOM 0 HB2 HIS A 80 1.343 16.393 0.166 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.941 16.599 -0.522 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.761 17.690 -1.325 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.904 20.144 -3.534 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.531 19.758 -2.898 1.00 0.00 H new ATOM 1274 N ALA A 81 1.589 13.817 0.553 1.00 0.00 N ATOM 1275 CA ALA A 81 1.951 12.772 1.502 1.00 0.00 C ATOM 1276 C ALA A 81 0.907 11.660 1.520 1.00 0.00 C ATOM 1277 O ALA A 81 -0.148 11.775 0.893 1.00 0.00 O ATOM 1278 CB ALA A 81 2.121 13.360 2.895 1.00 0.00 C ATOM 0 H ALA A 81 0.811 14.406 0.851 1.00 0.00 H new ATOM 0 HA ALA A 81 2.899 12.339 1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.391 12.568 3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.908 14.114 2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.185 13.820 3.212 1.00 0.00 H new ATOM 1284 N LEU A 82 1.206 10.585 2.240 1.00 0.00 N ATOM 1285 CA LEU A 82 0.293 9.451 2.338 1.00 0.00 C ATOM 1286 C LEU A 82 0.770 8.458 3.393 1.00 0.00 C ATOM 1287 O LEU A 82 1.963 8.176 3.499 1.00 0.00 O ATOM 1288 CB LEU A 82 0.168 8.753 0.983 1.00 0.00 C ATOM 1289 CG LEU A 82 -0.456 7.357 1.002 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -1.944 7.441 1.309 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -0.222 6.650 -0.325 1.00 0.00 C ATOM 0 H LEU A 82 2.074 10.474 2.765 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.685 9.828 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.427 9.386 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.162 8.679 0.542 1.00 0.00 H new ATOM 0 HG LEU A 82 0.024 6.776 1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.371 6.438 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.089 7.906 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.440 8.039 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.673 5.658 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.674 7.229 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.849 6.556 -0.503 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.170 7.929 4.169 1.00 0.00 N ATOM 1304 CA ALA A 83 0.153 6.964 5.212 1.00 0.00 C ATOM 1305 C ALA A 83 -0.352 5.572 4.848 1.00 0.00 C ATOM 1306 O ALA A 83 -1.522 5.250 5.058 1.00 0.00 O ATOM 1307 CB ALA A 83 -0.434 7.409 6.543 1.00 0.00 C ATOM 0 H ALA A 83 -1.162 8.153 4.095 1.00 0.00 H new ATOM 0 HA ALA A 83 1.238 6.916 5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.185 6.679 7.313 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.021 8.380 6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.518 7.488 6.455 1.00 0.00 H new ATOM 1313 N LEU A 84 0.536 4.750 4.300 1.00 0.00 N ATOM 1314 CA LEU A 84 0.180 3.392 3.906 1.00 0.00 C ATOM 1315 C LEU A 84 0.149 2.464 5.116 1.00 0.00 C ATOM 1316 O LEU A 84 1.178 2.209 5.742 1.00 0.00 O ATOM 1317 CB LEU A 84 1.173 2.864 2.869 1.00 0.00 C ATOM 1318 CG LEU A 84 1.143 3.548 1.501 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.369 3.166 0.687 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.131 3.187 0.752 1.00 0.00 C ATOM 0 H LEU A 84 1.508 5.000 4.118 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.817 3.417 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.179 2.958 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.986 1.800 2.725 1.00 0.00 H new ATOM 0 HG LEU A 84 1.156 4.627 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.331 3.662 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.269 3.476 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.387 2.086 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.135 3.683 -0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.175 2.107 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.997 3.512 1.329 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.038 1.959 5.438 1.00 0.00 N ATOM 1333 CA HIS A 85 -1.202 1.056 6.572 1.00 0.00 C ATOM 1334 C HIS A 85 -1.429 -0.376 6.097 1.00 0.00 C ATOM 1335 O HIS A 85 -2.556 -0.872 6.101 1.00 0.00 O ATOM 1336 CB HIS A 85 -2.373 1.508 7.445 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.017 2.599 8.407 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -0.950 2.517 9.276 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -2.593 3.803 8.632 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -0.886 3.623 9.996 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -1.871 4.420 9.624 1.00 0.00 N ATOM 0 H HIS A 85 -1.900 2.160 4.930 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.286 1.083 7.163 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.183 1.852 6.802 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.751 0.652 8.003 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.459 4.204 8.126 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -0.153 3.839 10.759 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.064 5.344 10.011 1.00 0.00 H new ATOM 1350 N THR A 86 -0.350 -1.037 5.687 1.00 0.00 N ATOM 1351 CA THR A 86 -0.431 -2.411 5.208 1.00 0.00 C ATOM 1352 C THR A 86 -0.743 -3.373 6.348 1.00 0.00 C ATOM 1353 O THR A 86 -0.214 -3.236 7.452 1.00 0.00 O ATOM 1354 CB THR A 86 0.880 -2.847 4.528 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.534 -1.710 3.952 1.00 0.00 O ATOM 1356 CG2 THR A 86 0.610 -3.884 3.448 1.00 0.00 C ATOM 0 H THR A 86 0.590 -0.642 5.677 1.00 0.00 H new ATOM 0 HA THR A 86 -1.239 -2.444 4.477 1.00 0.00 H new ATOM 0 HB THR A 86 1.526 -3.293 5.284 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.929 -1.961 3.091 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.551 -4.177 2.982 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.138 -4.759 3.894 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.052 -3.460 2.694 1.00 0.00 H new ATOM 1364 N TYR A 87 -1.605 -4.346 6.075 1.00 0.00 N ATOM 1365 CA TYR A 87 -1.989 -5.331 7.080 1.00 0.00 C ATOM 1366 C TYR A 87 -2.037 -6.733 6.478 1.00 0.00 C ATOM 1367 O TYR A 87 -2.195 -6.897 5.268 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.349 -4.975 7.680 1.00 0.00 C ATOM 1369 CG TYR A 87 -3.261 -4.045 8.870 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -2.759 -2.757 8.734 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.679 -4.456 10.130 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -2.676 -1.904 9.818 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -3.601 -3.610 11.219 1.00 0.00 C ATOM 1374 CZ TYR A 87 -3.099 -2.335 11.058 1.00 0.00 C ATOM 1375 OH TYR A 87 -3.018 -1.490 12.141 1.00 0.00 O ATOM 0 H TYR A 87 -2.051 -4.474 5.167 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.237 -5.319 7.869 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.966 -4.510 6.911 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.855 -5.892 7.983 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.428 -2.416 7.764 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.071 -5.454 10.260 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.282 -0.906 9.695 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.931 -3.945 12.191 1.00 0.00 H new ATOM 0 HH TYR A 87 -3.358 -1.947 12.939 1.00 0.00 H new ATOM 1385 N THR A 88 -1.901 -7.742 7.333 1.00 0.00 N ATOM 1386 CA THR A 88 -1.929 -9.129 6.887 1.00 0.00 C ATOM 1387 C THR A 88 -3.226 -9.814 7.303 1.00 0.00 C ATOM 1388 O THR A 88 -3.864 -9.416 8.279 1.00 0.00 O ATOM 1389 CB THR A 88 -0.737 -9.925 7.453 1.00 0.00 C ATOM 1390 OG1 THR A 88 -0.674 -9.767 8.875 1.00 0.00 O ATOM 1391 CG2 THR A 88 0.569 -9.460 6.827 1.00 0.00 C ATOM 0 H THR A 88 -1.770 -7.624 8.338 1.00 0.00 H new ATOM 0 HA THR A 88 -1.862 -9.113 5.799 1.00 0.00 H new ATOM 0 HB THR A 88 -0.883 -10.978 7.211 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.085 -10.277 9.228 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.396 -10.036 7.242 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.528 -9.608 5.748 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.719 -8.402 7.042 1.00 0.00 H new ATOM 1399 N ILE A 89 -3.610 -10.845 6.558 1.00 0.00 N ATOM 1400 CA ILE A 89 -4.830 -11.586 6.852 1.00 0.00 C ATOM 1401 C ILE A 89 -4.846 -12.069 8.298 1.00 0.00 C ATOM 1402 O ILE A 89 -5.775 -11.777 9.052 1.00 0.00 O ATOM 1403 CB ILE A 89 -4.992 -12.799 5.916 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -5.182 -12.333 4.471 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -6.165 -13.659 6.360 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -3.882 -12.080 3.741 1.00 0.00 C ATOM 0 H ILE A 89 -3.094 -11.186 5.747 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.661 -10.900 6.692 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.086 -13.403 5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.754 -13.085 3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -5.775 -11.418 4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.266 -14.512 5.688 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.991 -14.015 7.375 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.080 -13.067 6.335 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.094 -11.753 2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.317 -11.306 4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.296 -12.999 3.712 1.00 0.00 H new ATOM 1418 N LYS A 90 -3.810 -12.808 8.681 1.00 0.00 N ATOM 1419 CA LYS A 90 -3.702 -13.330 10.038 1.00 0.00 C ATOM 1420 C LYS A 90 -3.998 -12.241 11.064 1.00 0.00 C ATOM 1421 O LYS A 90 -4.661 -12.490 12.071 1.00 0.00 O ATOM 1422 CB LYS A 90 -2.303 -13.903 10.276 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.278 -15.060 11.259 1.00 0.00 C ATOM 1424 CD LYS A 90 -2.078 -14.575 12.685 1.00 0.00 C ATOM 1425 CE LYS A 90 -1.784 -15.731 13.630 1.00 0.00 C ATOM 1426 NZ LYS A 90 -0.344 -16.107 13.616 1.00 0.00 N ATOM 0 H LYS A 90 -3.033 -13.059 8.070 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.438 -14.125 10.155 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.890 -14.237 9.324 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.653 -13.110 10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.212 -15.617 11.191 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.476 -15.748 10.992 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.256 -13.860 12.716 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.971 -14.048 13.020 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.077 -15.455 14.643 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.387 -16.594 13.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.185 -16.898 14.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.070 -16.395 12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.231 -15.292 13.911 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.504 -11.036 10.802 1.00 0.00 N ATOM 1441 CA GLU A 91 -3.717 -9.910 11.704 1.00 0.00 C ATOM 1442 C GLU A 91 -5.195 -9.535 11.766 1.00 0.00 C ATOM 1443 O GLU A 91 -5.813 -9.578 12.830 1.00 0.00 O ATOM 1444 CB GLU A 91 -2.892 -8.703 11.253 1.00 0.00 C ATOM 1445 CG GLU A 91 -1.399 -8.867 11.479 1.00 0.00 C ATOM 1446 CD GLU A 91 -0.965 -8.410 12.858 1.00 0.00 C ATOM 1447 OE1 GLU A 91 -1.411 -7.328 13.293 1.00 0.00 O ATOM 1448 OE2 GLU A 91 -0.178 -9.135 13.503 1.00 0.00 O ATOM 0 H GLU A 91 -2.953 -10.814 9.973 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.394 -10.210 12.701 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.073 -8.526 10.193 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.237 -7.818 11.788 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.128 -9.914 11.345 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.856 -8.298 10.724 1.00 0.00 H new ATOM 1455 N TRP A 92 -5.755 -9.169 10.619 1.00 0.00 N ATOM 1456 CA TRP A 92 -7.160 -8.786 10.542 1.00 0.00 C ATOM 1457 C TRP A 92 -8.050 -9.851 11.174 1.00 0.00 C ATOM 1458 O TRP A 92 -8.987 -9.534 11.906 1.00 0.00 O ATOM 1459 CB TRP A 92 -7.570 -8.560 9.086 1.00 0.00 C ATOM 1460 CG TRP A 92 -8.660 -7.544 8.927 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -9.827 -7.695 8.233 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -8.684 -6.220 9.471 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -10.574 -6.545 8.313 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -9.895 -5.625 9.068 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -7.800 -5.479 10.261 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -10.242 -4.326 9.427 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -8.146 -4.190 10.617 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -9.358 -3.623 10.201 1.00 0.00 C ATOM 0 H TRP A 92 -5.258 -9.129 9.729 1.00 0.00 H new ATOM 0 HA TRP A 92 -7.288 -7.856 11.096 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.698 -8.239 8.516 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.900 -9.506 8.658 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -10.119 -8.588 7.700 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -11.486 -6.400 7.880 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -6.863 -5.907 10.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -11.176 -3.888 9.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.470 -3.609 11.227 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -9.599 -2.613 10.496 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.749 -11.114 10.887 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.524 -12.225 11.428 1.00 0.00 C ATOM 1481 C GLU A 93 -8.868 -11.984 12.895 1.00 0.00 C ATOM 1482 O GLU A 93 -9.993 -12.229 13.329 1.00 0.00 O ATOM 1483 CB GLU A 93 -7.748 -13.535 11.283 1.00 0.00 C ATOM 1484 CG GLU A 93 -8.029 -14.268 9.982 1.00 0.00 C ATOM 1485 CD GLU A 93 -9.372 -14.971 9.987 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -9.426 -16.144 10.412 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -10.370 -14.348 9.566 1.00 0.00 O ATOM 0 H GLU A 93 -6.975 -11.393 10.284 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.453 -12.297 10.862 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.681 -13.324 11.348 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.996 -14.189 12.119 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.998 -13.558 9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.241 -15.000 9.804 1.00 0.00 H new ATOM 1494 N GLY A 94 -7.888 -11.504 13.656 1.00 0.00 N ATOM 1495 CA GLY A 94 -8.106 -11.239 15.066 1.00 0.00 C ATOM 1496 C GLY A 94 -7.321 -10.040 15.559 1.00 0.00 C ATOM 1497 O GLY A 94 -6.779 -10.054 16.665 1.00 0.00 O ATOM 0 H GLY A 94 -6.948 -11.294 13.321 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.169 -11.070 15.241 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.823 -12.118 15.646 1.00 0.00 H new