USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 627 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 33 TYR OH : rot -86:sc= -1.09! USER MOD Set 1.2: A 70 HIS : no HD1:sc= -2.86! C(o=-4!,f=-15!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0288 X(o=-0.029,f=-0.18) USER MOD Single : A 12 LYS NZ :NH3+ -155:sc= -0.0216 (180deg=-0.298) USER MOD Single : A 19 ASN : amide:sc= -0.595 K(o=-0.6,f=-2.4!) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= -1.38 (180deg=-2.79) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -140:sc= -2.34 USER MOD Single : A 32 MET CE :methyl -176:sc= -1.65! (180deg=-1.78!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -77:sc= 0.746 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.527 K(o=-0.53,f=-7.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.6) USER MOD Single : A 74 TYR OH : rot -93:sc= -0.563 USER MOD Single : A 76 GLN : amide:sc= -0.274 K(o=-0.27,f=-1.7!) USER MOD Single : A 78 THR OG1 : rot -94:sc= 0.956 USER MOD ----------------------------------------------------------------- ATOM 78 N VAL A 5 -11.295 4.149 1.037 1.00 0.00 N ATOM 79 CA VAL A 5 -10.498 3.621 -0.064 1.00 0.00 C ATOM 80 C VAL A 5 -9.990 2.218 0.250 1.00 0.00 C ATOM 81 O VAL A 5 -9.727 1.427 -0.656 1.00 0.00 O ATOM 82 CB VAL A 5 -9.297 4.534 -0.381 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.648 4.128 -1.698 1.00 0.00 C ATOM 84 CG2 VAL A 5 -9.728 5.994 -0.414 1.00 0.00 C ATOM 0 HA VAL A 5 -11.151 3.581 -0.936 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.557 4.418 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.802 4.784 -1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.299 3.097 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.377 4.212 -2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.867 6.623 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.488 6.132 -1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.138 6.274 0.556 1.00 0.00 H new ATOM 94 N ALA A 6 -9.852 1.915 1.539 1.00 0.00 N ATOM 95 CA ALA A 6 -9.372 0.608 1.973 1.00 0.00 C ATOM 96 C ALA A 6 -10.187 -0.518 1.346 1.00 0.00 C ATOM 97 O ALA A 6 -9.639 -1.543 0.941 1.00 0.00 O ATOM 98 CB ALA A 6 -9.415 0.509 3.490 1.00 0.00 C ATOM 0 H ALA A 6 -10.066 2.559 2.301 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.340 0.501 1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.054 -0.471 3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.782 1.283 3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.440 0.644 3.835 1.00 0.00 H new ATOM 104 N ARG A 7 -11.497 -0.320 1.267 1.00 0.00 N ATOM 105 CA ARG A 7 -12.385 -1.319 0.685 1.00 0.00 C ATOM 106 C ARG A 7 -12.030 -1.570 -0.773 1.00 0.00 C ATOM 107 O ARG A 7 -11.779 -2.705 -1.181 1.00 0.00 O ATOM 108 CB ARG A 7 -13.843 -0.867 0.798 1.00 0.00 C ATOM 109 CG ARG A 7 -14.835 -1.878 0.245 1.00 0.00 C ATOM 110 CD ARG A 7 -16.253 -1.331 0.259 1.00 0.00 C ATOM 111 NE ARG A 7 -17.243 -2.388 0.449 1.00 0.00 N ATOM 112 CZ ARG A 7 -18.532 -2.265 0.135 1.00 0.00 C ATOM 113 NH1 ARG A 7 -18.990 -1.131 -0.383 1.00 0.00 N ATOM 114 NH2 ARG A 7 -19.364 -3.277 0.340 1.00 0.00 N ATOM 0 H ARG A 7 -11.968 0.522 1.598 1.00 0.00 H new ATOM 0 HA ARG A 7 -12.259 -2.250 1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -14.076 -0.677 1.846 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -13.965 0.077 0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -14.556 -2.143 -0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -14.791 -2.793 0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -16.350 -0.595 1.057 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -16.451 -0.812 -0.679 1.00 0.00 H new ATOM 0 HE ARG A 7 -16.929 -3.273 0.846 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -18.354 -0.350 -0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -19.978 -1.042 -0.622 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -19.017 -4.150 0.738 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.351 -3.183 0.100 1.00 0.00 H new ATOM 128 N GLU A 8 -12.001 -0.497 -1.553 1.00 0.00 N ATOM 129 CA GLU A 8 -11.667 -0.589 -2.968 1.00 0.00 C ATOM 130 C GLU A 8 -10.249 -1.117 -3.148 1.00 0.00 C ATOM 131 O GLU A 8 -9.945 -1.785 -4.136 1.00 0.00 O ATOM 132 CB GLU A 8 -11.808 0.781 -3.639 1.00 0.00 C ATOM 133 CG GLU A 8 -12.577 0.740 -4.949 1.00 0.00 C ATOM 134 CD GLU A 8 -12.497 2.047 -5.712 1.00 0.00 C ATOM 135 OE1 GLU A 8 -11.371 2.548 -5.916 1.00 0.00 O ATOM 136 OE2 GLU A 8 -13.560 2.571 -6.106 1.00 0.00 O ATOM 0 H GLU A 8 -12.205 0.448 -1.229 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.361 -1.284 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.311 1.462 -2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.815 1.190 -3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.185 -0.064 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.622 0.505 -4.746 1.00 0.00 H new ATOM 143 N PHE A 9 -9.387 -0.817 -2.181 1.00 0.00 N ATOM 144 CA PHE A 9 -8.001 -1.262 -2.224 1.00 0.00 C ATOM 145 C PHE A 9 -7.917 -2.779 -2.114 1.00 0.00 C ATOM 146 O PHE A 9 -7.298 -3.440 -2.947 1.00 0.00 O ATOM 147 CB PHE A 9 -7.199 -0.608 -1.095 1.00 0.00 C ATOM 148 CG PHE A 9 -5.753 -1.015 -1.064 1.00 0.00 C ATOM 149 CD1 PHE A 9 -5.017 -1.096 -2.235 1.00 0.00 C ATOM 150 CD2 PHE A 9 -5.130 -1.312 0.138 1.00 0.00 C ATOM 151 CE1 PHE A 9 -3.686 -1.468 -2.208 1.00 0.00 C ATOM 152 CE2 PHE A 9 -3.799 -1.685 0.169 1.00 0.00 C ATOM 153 CZ PHE A 9 -3.076 -1.763 -1.004 1.00 0.00 C ATOM 0 H PHE A 9 -9.626 -0.266 -1.357 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.575 -0.962 -3.181 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.260 0.475 -1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.659 -0.863 -0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.488 -0.866 -3.179 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.690 -1.251 1.060 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.123 -1.528 -3.128 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.325 -1.915 1.112 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.036 -2.054 -0.981 1.00 0.00 H new ATOM 163 N ARG A 10 -8.546 -3.330 -1.080 1.00 0.00 N ATOM 164 CA ARG A 10 -8.543 -4.772 -0.862 1.00 0.00 C ATOM 165 C ARG A 10 -9.078 -5.510 -2.086 1.00 0.00 C ATOM 166 O ARG A 10 -8.542 -6.544 -2.485 1.00 0.00 O ATOM 167 CB ARG A 10 -9.383 -5.126 0.367 1.00 0.00 C ATOM 168 CG ARG A 10 -8.712 -4.774 1.684 1.00 0.00 C ATOM 169 CD ARG A 10 -9.132 -5.722 2.797 1.00 0.00 C ATOM 170 NE ARG A 10 -9.566 -5.003 3.992 1.00 0.00 N ATOM 171 CZ ARG A 10 -9.585 -5.534 5.213 1.00 0.00 C ATOM 172 NH1 ARG A 10 -9.198 -6.789 5.406 1.00 0.00 N ATOM 173 NH2 ARG A 10 -9.994 -4.807 6.244 1.00 0.00 N ATOM 0 H ARG A 10 -9.064 -2.799 -0.380 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.513 -5.085 -0.693 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.339 -4.606 0.305 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.600 -6.194 0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.629 -4.811 1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.967 -3.751 1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.942 -6.360 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.298 -6.376 3.050 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.873 -4.036 3.885 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.884 -7.353 4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.215 -7.189 6.344 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.293 -3.842 6.101 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.009 -5.212 7.180 1.00 0.00 H new ATOM 187 N HIS A 11 -10.141 -4.973 -2.674 1.00 0.00 N ATOM 188 CA HIS A 11 -10.755 -5.582 -3.850 1.00 0.00 C ATOM 189 C HIS A 11 -9.786 -5.612 -5.029 1.00 0.00 C ATOM 190 O HIS A 11 -9.578 -6.655 -5.647 1.00 0.00 O ATOM 191 CB HIS A 11 -12.023 -4.821 -4.238 1.00 0.00 C ATOM 192 CG HIS A 11 -13.218 -5.189 -3.415 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.619 -6.492 -3.210 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.102 -4.415 -2.741 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.697 -6.503 -2.446 1.00 0.00 C ATOM 196 NE2 HIS A 11 -15.010 -5.257 -2.149 1.00 0.00 N ATOM 0 H HIS A 11 -10.596 -4.117 -2.356 1.00 0.00 H new ATOM 0 HA HIS A 11 -11.015 -6.610 -3.597 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -11.839 -3.751 -4.139 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.243 -5.011 -5.289 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -14.094 -3.337 -2.681 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.231 -7.383 -2.120 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.799 -4.966 -1.572 1.00 0.00 H new ATOM 205 N LYS A 12 -9.203 -4.459 -5.345 1.00 0.00 N ATOM 206 CA LYS A 12 -8.265 -4.356 -6.458 1.00 0.00 C ATOM 207 C LYS A 12 -7.004 -5.176 -6.203 1.00 0.00 C ATOM 208 O LYS A 12 -6.511 -5.862 -7.099 1.00 0.00 O ATOM 209 CB LYS A 12 -7.895 -2.893 -6.711 1.00 0.00 C ATOM 210 CG LYS A 12 -7.182 -2.233 -5.543 1.00 0.00 C ATOM 211 CD LYS A 12 -6.784 -0.803 -5.871 1.00 0.00 C ATOM 212 CE LYS A 12 -8.002 0.092 -6.042 1.00 0.00 C ATOM 213 NZ LYS A 12 -7.999 1.224 -5.075 1.00 0.00 N ATOM 0 H LYS A 12 -9.364 -3.584 -4.846 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.758 -4.759 -7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.258 -2.836 -7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.802 -2.332 -6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.832 -2.240 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.294 -2.809 -5.285 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.151 -0.409 -5.076 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.191 -0.790 -6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.025 0.483 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.908 -0.498 -5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.975 1.548 -4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.588 0.909 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.432 2.007 -5.459 1.00 0.00 H new ATOM 227 N VAL A 13 -6.481 -5.104 -4.982 1.00 0.00 N ATOM 228 CA VAL A 13 -5.274 -5.843 -4.623 1.00 0.00 C ATOM 229 C VAL A 13 -5.418 -7.328 -4.954 1.00 0.00 C ATOM 230 O VAL A 13 -4.562 -7.909 -5.620 1.00 0.00 O ATOM 231 CB VAL A 13 -4.939 -5.685 -3.124 1.00 0.00 C ATOM 232 CG1 VAL A 13 -3.712 -6.508 -2.749 1.00 0.00 C ATOM 233 CG2 VAL A 13 -4.723 -4.218 -2.778 1.00 0.00 C ATOM 0 H VAL A 13 -6.873 -4.543 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.459 -5.422 -5.212 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.785 -6.057 -2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.498 -6.379 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.903 -7.561 -2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.856 -6.173 -3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.488 -4.125 -1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.897 -3.823 -3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.630 -3.655 -2.999 1.00 0.00 H new ATOM 243 N ASP A 14 -6.504 -7.933 -4.485 1.00 0.00 N ATOM 244 CA ASP A 14 -6.753 -9.348 -4.736 1.00 0.00 C ATOM 245 C ASP A 14 -7.047 -9.596 -6.212 1.00 0.00 C ATOM 246 O ASP A 14 -6.760 -10.671 -6.740 1.00 0.00 O ATOM 247 CB ASP A 14 -7.922 -9.841 -3.879 1.00 0.00 C ATOM 248 CG ASP A 14 -9.222 -9.136 -4.212 1.00 0.00 C ATOM 249 OD1 ASP A 14 -9.651 -9.202 -5.384 1.00 0.00 O ATOM 250 OD2 ASP A 14 -9.814 -8.518 -3.302 1.00 0.00 O ATOM 0 H ASP A 14 -7.223 -7.468 -3.931 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.855 -9.903 -4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.047 -10.914 -4.023 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.687 -9.686 -2.826 1.00 0.00 H new ATOM 255 N PHE A 15 -7.623 -8.596 -6.873 1.00 0.00 N ATOM 256 CA PHE A 15 -7.959 -8.705 -8.288 1.00 0.00 C ATOM 257 C PHE A 15 -6.702 -8.745 -9.154 1.00 0.00 C ATOM 258 O PHE A 15 -6.567 -9.603 -10.026 1.00 0.00 O ATOM 259 CB PHE A 15 -8.845 -7.534 -8.711 1.00 0.00 C ATOM 260 CG PHE A 15 -9.527 -7.744 -10.033 1.00 0.00 C ATOM 261 CD1 PHE A 15 -10.211 -8.920 -10.296 1.00 0.00 C ATOM 262 CD2 PHE A 15 -9.482 -6.764 -11.013 1.00 0.00 C ATOM 263 CE1 PHE A 15 -10.837 -9.117 -11.511 1.00 0.00 C ATOM 264 CE2 PHE A 15 -10.108 -6.956 -12.230 1.00 0.00 C ATOM 265 CZ PHE A 15 -10.788 -8.132 -12.480 1.00 0.00 C ATOM 0 H PHE A 15 -7.867 -7.700 -6.450 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.502 -9.639 -8.433 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.601 -7.366 -7.944 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.238 -6.630 -8.764 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.255 -9.692 -9.542 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.953 -5.842 -10.823 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.364 -10.040 -11.704 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -10.065 -6.186 -12.986 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.280 -8.282 -13.430 1.00 0.00 H new ATOM 275 N LEU A 16 -5.790 -7.809 -8.914 1.00 0.00 N ATOM 276 CA LEU A 16 -4.550 -7.737 -9.679 1.00 0.00 C ATOM 277 C LEU A 16 -3.508 -8.716 -9.142 1.00 0.00 C ATOM 278 O LEU A 16 -2.692 -9.241 -9.899 1.00 0.00 O ATOM 279 CB LEU A 16 -3.992 -6.314 -9.659 1.00 0.00 C ATOM 280 CG LEU A 16 -3.718 -5.744 -8.266 1.00 0.00 C ATOM 281 CD1 LEU A 16 -2.221 -5.598 -8.037 1.00 0.00 C ATOM 282 CD2 LEU A 16 -4.421 -4.407 -8.089 1.00 0.00 C ATOM 0 H LEU A 16 -5.886 -7.090 -8.197 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.778 -8.015 -10.708 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.064 -6.296 -10.231 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.695 -5.657 -10.171 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.113 -6.438 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.043 -5.191 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.743 -6.574 -8.121 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.803 -4.924 -8.784 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.215 -4.017 -7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.057 -3.703 -8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.496 -4.542 -8.211 1.00 0.00 H new ATOM 294 N ILE A 17 -3.541 -8.959 -7.835 1.00 0.00 N ATOM 295 CA ILE A 17 -2.594 -9.877 -7.212 1.00 0.00 C ATOM 296 C ILE A 17 -3.192 -11.276 -7.077 1.00 0.00 C ATOM 297 O ILE A 17 -2.922 -12.155 -7.897 1.00 0.00 O ATOM 298 CB ILE A 17 -2.142 -9.369 -5.826 1.00 0.00 C ATOM 299 CG1 ILE A 17 -1.666 -7.918 -5.926 1.00 0.00 C ATOM 300 CG2 ILE A 17 -1.040 -10.260 -5.264 1.00 0.00 C ATOM 301 CD1 ILE A 17 -1.140 -7.359 -4.619 1.00 0.00 C ATOM 0 H ILE A 17 -4.209 -8.536 -7.191 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.722 -9.927 -7.864 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.992 -9.409 -5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.882 -7.853 -6.681 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.492 -7.296 -6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.734 -9.887 -4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.412 -11.279 -5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.185 -10.251 -5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.821 -6.327 -4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.928 -7.391 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.292 -7.956 -4.283 1.00 0.00 H new ATOM 313 N GLU A 18 -4.007 -11.478 -6.045 1.00 0.00 N ATOM 314 CA GLU A 18 -4.647 -12.772 -5.807 1.00 0.00 C ATOM 315 C GLU A 18 -3.645 -13.818 -5.312 1.00 0.00 C ATOM 316 O GLU A 18 -4.009 -14.974 -5.089 1.00 0.00 O ATOM 317 CB GLU A 18 -5.333 -13.271 -7.082 1.00 0.00 C ATOM 318 CG GLU A 18 -6.711 -13.863 -6.839 1.00 0.00 C ATOM 319 CD GLU A 18 -6.961 -15.117 -7.656 1.00 0.00 C ATOM 320 OE1 GLU A 18 -6.129 -16.046 -7.584 1.00 0.00 O ATOM 321 OE2 GLU A 18 -7.987 -15.168 -8.366 1.00 0.00 O ATOM 0 H GLU A 18 -4.241 -10.761 -5.358 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.395 -12.627 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.421 -12.443 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.701 -14.024 -7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.820 -14.096 -5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.470 -13.119 -7.081 1.00 0.00 H new ATOM 328 N ASN A 19 -2.387 -13.418 -5.143 1.00 0.00 N ATOM 329 CA ASN A 19 -1.350 -14.333 -4.677 1.00 0.00 C ATOM 330 C ASN A 19 -1.535 -14.674 -3.201 1.00 0.00 C ATOM 331 O ASN A 19 -0.971 -15.652 -2.708 1.00 0.00 O ATOM 332 CB ASN A 19 0.035 -13.720 -4.902 1.00 0.00 C ATOM 333 CG ASN A 19 0.647 -14.145 -6.223 1.00 0.00 C ATOM 334 OD1 ASN A 19 0.233 -15.139 -6.820 1.00 0.00 O ATOM 335 ND2 ASN A 19 1.637 -13.392 -6.684 1.00 0.00 N ATOM 0 H ASN A 19 -2.062 -12.468 -5.322 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.433 -15.255 -5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.043 -12.633 -4.873 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.696 -14.014 -4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.088 -13.628 -7.568 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.947 -12.577 -6.155 1.00 0.00 H new ATOM 342 N ASP A 20 -2.323 -13.866 -2.495 1.00 0.00 N ATOM 343 CA ASP A 20 -2.578 -14.086 -1.073 1.00 0.00 C ATOM 344 C ASP A 20 -1.362 -13.703 -0.235 1.00 0.00 C ATOM 345 O ASP A 20 -1.429 -12.803 0.601 1.00 0.00 O ATOM 346 CB ASP A 20 -2.958 -15.548 -0.812 1.00 0.00 C ATOM 347 CG ASP A 20 -4.237 -15.678 -0.009 1.00 0.00 C ATOM 348 OD1 ASP A 20 -4.532 -14.765 0.790 1.00 0.00 O ATOM 349 OD2 ASP A 20 -4.945 -16.693 -0.181 1.00 0.00 O ATOM 0 H ASP A 20 -2.797 -13.051 -2.885 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.413 -13.449 -0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.076 -16.065 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.146 -16.042 -0.279 1.00 0.00 H new ATOM 354 N ALA A 21 -0.254 -14.393 -0.469 1.00 0.00 N ATOM 355 CA ALA A 21 0.980 -14.130 0.261 1.00 0.00 C ATOM 356 C ALA A 21 1.420 -12.682 0.088 1.00 0.00 C ATOM 357 O ALA A 21 1.928 -12.059 1.021 1.00 0.00 O ATOM 358 CB ALA A 21 2.077 -15.077 -0.202 1.00 0.00 C ATOM 0 H ALA A 21 -0.184 -15.140 -1.160 1.00 0.00 H new ATOM 0 HA ALA A 21 0.792 -14.300 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.993 -14.870 0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.769 -16.107 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.256 -14.933 -1.268 1.00 0.00 H new ATOM 364 N GLU A 22 1.219 -12.149 -1.112 1.00 0.00 N ATOM 365 CA GLU A 22 1.593 -10.771 -1.409 1.00 0.00 C ATOM 366 C GLU A 22 0.726 -9.795 -0.620 1.00 0.00 C ATOM 367 O GLU A 22 1.196 -8.744 -0.184 1.00 0.00 O ATOM 368 CB GLU A 22 1.457 -10.494 -2.908 1.00 0.00 C ATOM 369 CG GLU A 22 2.646 -10.973 -3.725 1.00 0.00 C ATOM 370 CD GLU A 22 3.282 -9.862 -4.539 1.00 0.00 C ATOM 371 OE1 GLU A 22 2.573 -8.886 -4.867 1.00 0.00 O ATOM 372 OE2 GLU A 22 4.486 -9.968 -4.849 1.00 0.00 O ATOM 0 H GLU A 22 0.799 -12.650 -1.895 1.00 0.00 H new ATOM 0 HA GLU A 22 2.633 -10.630 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.553 -10.979 -3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.330 -9.422 -3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.393 -11.401 -3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.324 -11.770 -4.395 1.00 0.00 H new ATOM 379 N LYS A 23 -0.541 -10.153 -0.437 1.00 0.00 N ATOM 380 CA LYS A 23 -1.473 -9.311 0.304 1.00 0.00 C ATOM 381 C LYS A 23 -1.082 -9.243 1.775 1.00 0.00 C ATOM 382 O LYS A 23 -1.234 -8.208 2.423 1.00 0.00 O ATOM 383 CB LYS A 23 -2.901 -9.844 0.163 1.00 0.00 C ATOM 384 CG LYS A 23 -3.749 -9.057 -0.823 1.00 0.00 C ATOM 385 CD LYS A 23 -5.060 -9.768 -1.120 1.00 0.00 C ATOM 386 CE LYS A 23 -4.831 -11.062 -1.885 1.00 0.00 C ATOM 387 NZ LYS A 23 -3.866 -10.883 -3.004 1.00 0.00 N ATOM 0 H LYS A 23 -0.945 -11.020 -0.791 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.431 -8.305 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.861 -10.886 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.384 -9.827 1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.955 -8.066 -0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.193 -8.914 -1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.578 -9.983 -0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.708 -9.111 -1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.458 -11.826 -1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.781 -11.423 -2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.926 -11.698 -3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.096 -10.012 -3.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.901 -10.814 -2.622 1.00 0.00 H new ATOM 401 N ASP A 24 -0.570 -10.352 2.299 1.00 0.00 N ATOM 402 CA ASP A 24 -0.149 -10.413 3.693 1.00 0.00 C ATOM 403 C ASP A 24 1.139 -9.623 3.891 1.00 0.00 C ATOM 404 O ASP A 24 1.355 -9.020 4.943 1.00 0.00 O ATOM 405 CB ASP A 24 0.051 -11.865 4.127 1.00 0.00 C ATOM 406 CG ASP A 24 -0.392 -12.108 5.557 1.00 0.00 C ATOM 407 OD1 ASP A 24 -1.296 -11.385 6.028 1.00 0.00 O ATOM 408 OD2 ASP A 24 0.163 -13.019 6.205 1.00 0.00 O ATOM 0 H ASP A 24 -0.437 -11.220 1.779 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.931 -9.970 4.310 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.508 -12.521 3.460 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.103 -12.130 4.026 1.00 0.00 H new ATOM 413 N TYR A 25 1.987 -9.627 2.868 1.00 0.00 N ATOM 414 CA TYR A 25 3.250 -8.905 2.920 1.00 0.00 C ATOM 415 C TYR A 25 3.005 -7.402 2.938 1.00 0.00 C ATOM 416 O TYR A 25 3.505 -6.688 3.808 1.00 0.00 O ATOM 417 CB TYR A 25 4.123 -9.279 1.721 1.00 0.00 C ATOM 418 CG TYR A 25 5.603 -9.300 2.028 1.00 0.00 C ATOM 419 CD1 TYR A 25 6.082 -9.895 3.188 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.521 -8.726 1.157 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.435 -9.917 3.471 1.00 0.00 C ATOM 422 CE2 TYR A 25 7.874 -8.746 1.433 1.00 0.00 C ATOM 423 CZ TYR A 25 8.325 -9.341 2.591 1.00 0.00 C ATOM 424 OH TYR A 25 9.674 -9.362 2.870 1.00 0.00 O ATOM 0 H TYR A 25 1.821 -10.123 1.992 1.00 0.00 H new ATOM 0 HA TYR A 25 3.769 -9.185 3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.823 -10.262 1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.939 -8.570 0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.387 -10.347 3.880 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.171 -8.257 0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.792 -10.383 4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.575 -8.298 0.745 1.00 0.00 H new ATOM 0 HH TYR A 25 10.164 -8.915 2.149 1.00 0.00 H new ATOM 434 N LEU A 26 2.223 -6.926 1.972 1.00 0.00 N ATOM 435 CA LEU A 26 1.905 -5.507 1.880 1.00 0.00 C ATOM 436 C LEU A 26 1.168 -5.039 3.129 1.00 0.00 C ATOM 437 O LEU A 26 1.346 -3.910 3.583 1.00 0.00 O ATOM 438 CB LEU A 26 1.064 -5.228 0.628 1.00 0.00 C ATOM 439 CG LEU A 26 -0.425 -5.561 0.750 1.00 0.00 C ATOM 440 CD1 LEU A 26 -1.183 -4.395 1.368 1.00 0.00 C ATOM 441 CD2 LEU A 26 -1.005 -5.914 -0.611 1.00 0.00 C ATOM 0 H LEU A 26 1.800 -7.502 1.244 1.00 0.00 H new ATOM 0 HA LEU A 26 2.839 -4.950 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.163 -4.173 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.480 -5.798 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.532 -6.426 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.240 -4.649 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.784 -4.187 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.068 -3.512 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.064 -6.148 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.886 -5.068 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.481 -6.779 -1.016 1.00 0.00 H new ATOM 453 N TYR A 27 0.342 -5.922 3.686 1.00 0.00 N ATOM 454 CA TYR A 27 -0.416 -5.601 4.887 1.00 0.00 C ATOM 455 C TYR A 27 0.512 -5.492 6.092 1.00 0.00 C ATOM 456 O TYR A 27 0.298 -4.670 6.982 1.00 0.00 O ATOM 457 CB TYR A 27 -1.489 -6.663 5.142 1.00 0.00 C ATOM 458 CG TYR A 27 -2.886 -6.205 4.791 1.00 0.00 C ATOM 459 CD1 TYR A 27 -3.296 -6.117 3.465 1.00 0.00 C ATOM 460 CD2 TYR A 27 -3.794 -5.860 5.783 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.572 -5.697 3.140 1.00 0.00 C ATOM 462 CE2 TYR A 27 -5.072 -5.441 5.465 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.454 -5.360 4.144 1.00 0.00 C ATOM 464 OH TYR A 27 -6.726 -4.941 3.824 1.00 0.00 O ATOM 0 H TYR A 27 0.183 -6.862 3.324 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.905 -4.639 4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.251 -7.555 4.562 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.463 -6.950 6.193 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.606 -6.381 2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.497 -5.920 6.820 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.876 -5.633 2.106 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.768 -5.178 6.248 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.986 -4.204 4.415 1.00 0.00 H new ATOM 474 N ASP A 28 1.546 -6.326 6.109 1.00 0.00 N ATOM 475 CA ASP A 28 2.513 -6.322 7.199 1.00 0.00 C ATOM 476 C ASP A 28 3.270 -4.998 7.238 1.00 0.00 C ATOM 477 O ASP A 28 3.496 -4.431 8.306 1.00 0.00 O ATOM 478 CB ASP A 28 3.497 -7.482 7.044 1.00 0.00 C ATOM 479 CG ASP A 28 3.993 -8.002 8.379 1.00 0.00 C ATOM 480 OD1 ASP A 28 3.310 -8.865 8.971 1.00 0.00 O ATOM 481 OD2 ASP A 28 5.062 -7.544 8.835 1.00 0.00 O ATOM 0 H ASP A 28 1.736 -7.013 5.380 1.00 0.00 H new ATOM 0 HA ASP A 28 1.971 -6.443 8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.015 -8.293 6.498 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.348 -7.156 6.446 1.00 0.00 H new ATOM 486 N VAL A 29 3.657 -4.510 6.063 1.00 0.00 N ATOM 487 CA VAL A 29 4.383 -3.251 5.962 1.00 0.00 C ATOM 488 C VAL A 29 3.516 -2.085 6.423 1.00 0.00 C ATOM 489 O VAL A 29 3.967 -1.220 7.174 1.00 0.00 O ATOM 490 CB VAL A 29 4.860 -2.989 4.521 1.00 0.00 C ATOM 491 CG1 VAL A 29 5.703 -1.724 4.454 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.638 -4.182 3.989 1.00 0.00 C ATOM 0 H VAL A 29 3.480 -4.968 5.169 1.00 0.00 H new ATOM 0 HA VAL A 29 5.255 -3.332 6.611 1.00 0.00 H new ATOM 0 HB VAL A 29 3.982 -2.846 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.029 -1.558 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.109 -0.873 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.575 -1.833 5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.966 -3.977 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.508 -4.361 4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.999 -5.065 3.994 1.00 0.00 H new ATOM 502 N LEU A 30 2.266 -2.069 5.968 1.00 0.00 N ATOM 503 CA LEU A 30 1.333 -1.010 6.336 1.00 0.00 C ATOM 504 C LEU A 30 1.045 -1.035 7.834 1.00 0.00 C ATOM 505 O LEU A 30 1.076 0.001 8.500 1.00 0.00 O ATOM 506 CB LEU A 30 0.029 -1.157 5.550 1.00 0.00 C ATOM 507 CG LEU A 30 0.001 -0.437 4.201 1.00 0.00 C ATOM 508 CD1 LEU A 30 -1.260 -0.795 3.431 1.00 0.00 C ATOM 509 CD2 LEU A 30 0.097 1.069 4.401 1.00 0.00 C ATOM 0 H LEU A 30 1.877 -2.777 5.345 1.00 0.00 H new ATOM 0 HA LEU A 30 1.792 -0.052 6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.159 -2.218 5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.791 -0.781 6.162 1.00 0.00 H new ATOM 0 HG LEU A 30 0.862 -0.763 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.262 -0.273 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.288 -1.871 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.136 -0.498 4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.076 1.567 3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.745 1.411 5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.029 1.309 4.912 1.00 0.00 H new ATOM 521 N ARG A 31 0.767 -2.225 8.360 1.00 0.00 N ATOM 522 CA ARG A 31 0.476 -2.385 9.781 1.00 0.00 C ATOM 523 C ARG A 31 1.615 -1.831 10.631 1.00 0.00 C ATOM 524 O ARG A 31 1.388 -1.084 11.583 1.00 0.00 O ATOM 525 CB ARG A 31 0.239 -3.861 10.114 1.00 0.00 C ATOM 526 CG ARG A 31 -1.118 -4.127 10.749 1.00 0.00 C ATOM 527 CD ARG A 31 -1.859 -5.257 10.047 1.00 0.00 C ATOM 528 NE ARG A 31 -3.148 -4.817 9.517 1.00 0.00 N ATOM 529 CZ ARG A 31 -3.283 -4.010 8.468 1.00 0.00 C ATOM 530 NH1 ARG A 31 -2.213 -3.549 7.835 1.00 0.00 N ATOM 531 NH2 ARG A 31 -4.493 -3.662 8.051 1.00 0.00 N ATOM 0 H ARG A 31 0.737 -3.092 7.823 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.430 -1.823 10.009 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.326 -4.450 9.201 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.022 -4.203 10.791 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.984 -4.379 11.801 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.721 -3.219 10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.245 -5.644 9.234 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.015 -6.078 10.746 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.995 -5.148 9.979 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.280 -3.813 8.152 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.323 -2.931 7.031 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.320 -4.013 8.535 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.597 -3.043 7.247 1.00 0.00 H new ATOM 545 N MET A 32 2.838 -2.195 10.271 1.00 0.00 N ATOM 546 CA MET A 32 4.018 -1.731 10.988 1.00 0.00 C ATOM 547 C MET A 32 4.331 -0.285 10.622 1.00 0.00 C ATOM 548 O MET A 32 4.875 0.469 11.430 1.00 0.00 O ATOM 549 CB MET A 32 5.220 -2.623 10.669 1.00 0.00 C ATOM 550 CG MET A 32 5.430 -3.744 11.675 1.00 0.00 C ATOM 551 SD MET A 32 6.621 -3.313 12.957 1.00 0.00 S ATOM 552 CE MET A 32 8.083 -3.003 11.971 1.00 0.00 C ATOM 0 H MET A 32 3.039 -2.812 9.484 1.00 0.00 H new ATOM 0 HA MET A 32 3.813 -1.785 12.057 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.088 -3.056 9.677 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.119 -2.007 10.631 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.476 -3.993 12.140 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.772 -4.637 11.152 1.00 0.00 H new ATOM 0 HE1 MET A 32 8.927 -2.794 12.628 1.00 0.00 H new ATOM 0 HE2 MET A 32 8.305 -3.880 11.363 1.00 0.00 H new ATOM 0 HE3 MET A 32 7.908 -2.146 11.321 1.00 0.00 H new ATOM 562 N TYR A 33 3.977 0.098 9.399 1.00 0.00 N ATOM 563 CA TYR A 33 4.212 1.453 8.918 1.00 0.00 C ATOM 564 C TYR A 33 3.489 2.468 9.799 1.00 0.00 C ATOM 565 O TYR A 33 3.967 3.584 10.001 1.00 0.00 O ATOM 566 CB TYR A 33 3.744 1.582 7.465 1.00 0.00 C ATOM 567 CG TYR A 33 3.712 3.004 6.951 1.00 0.00 C ATOM 568 CD1 TYR A 33 4.869 3.771 6.896 1.00 0.00 C ATOM 569 CD2 TYR A 33 2.522 3.578 6.518 1.00 0.00 C ATOM 570 CE1 TYR A 33 4.840 5.071 6.425 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.488 4.876 6.046 1.00 0.00 C ATOM 572 CZ TYR A 33 3.648 5.617 6.001 1.00 0.00 C ATOM 573 OH TYR A 33 3.618 6.910 5.531 1.00 0.00 O ATOM 0 H TYR A 33 3.524 -0.515 8.721 1.00 0.00 H new ATOM 0 HA TYR A 33 5.281 1.659 8.965 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.403 0.992 6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.746 1.152 7.376 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.805 3.346 7.226 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.610 3.000 6.551 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.747 5.656 6.390 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.556 5.308 5.714 1.00 0.00 H new ATOM 0 HH TYR A 33 3.504 7.529 6.282 1.00 0.00 H new ATOM 583 N HIS A 34 2.333 2.072 10.323 1.00 0.00 N ATOM 584 CA HIS A 34 1.543 2.945 11.183 1.00 0.00 C ATOM 585 C HIS A 34 2.197 3.092 12.553 1.00 0.00 C ATOM 586 O HIS A 34 2.232 4.184 13.121 1.00 0.00 O ATOM 587 CB HIS A 34 0.124 2.396 11.338 1.00 0.00 C ATOM 588 CG HIS A 34 -0.860 3.414 11.823 1.00 0.00 C ATOM 589 ND1 HIS A 34 -1.184 3.573 13.155 1.00 0.00 N ATOM 590 CD2 HIS A 34 -1.594 4.328 11.149 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.074 4.539 13.277 1.00 0.00 C ATOM 592 NE2 HIS A 34 -2.340 5.016 12.075 1.00 0.00 N ATOM 0 H HIS A 34 1.923 1.151 10.167 1.00 0.00 H new ATOM 0 HA HIS A 34 1.494 3.928 10.715 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.213 2.005 10.378 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.141 1.558 12.035 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.594 4.488 10.081 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.511 4.882 14.203 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -2.993 5.772 11.868 1.00 0.00 H new ATOM 601 N GLN A 35 2.715 1.985 13.079 1.00 0.00 N ATOM 602 CA GLN A 35 3.365 1.991 14.384 1.00 0.00 C ATOM 603 C GLN A 35 4.745 2.635 14.303 1.00 0.00 C ATOM 604 O GLN A 35 5.121 3.434 15.161 1.00 0.00 O ATOM 605 CB GLN A 35 3.485 0.566 14.923 1.00 0.00 C ATOM 606 CG GLN A 35 2.178 0.007 15.464 1.00 0.00 C ATOM 607 CD GLN A 35 2.390 -1.014 16.565 1.00 0.00 C ATOM 608 OE1 GLN A 35 2.795 -0.672 17.675 1.00 0.00 O ATOM 609 NE2 GLN A 35 2.119 -2.277 16.260 1.00 0.00 N ATOM 0 H GLN A 35 2.697 1.074 12.621 1.00 0.00 H new ATOM 0 HA GLN A 35 2.750 2.579 15.065 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.847 -0.085 14.127 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.234 0.548 15.715 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.568 0.826 15.846 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.620 -0.454 14.649 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.785 -2.516 15.326 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.245 -3.009 16.959 1.00 0.00 H new ATOM 618 N THR A 36 5.496 2.277 13.269 1.00 0.00 N ATOM 619 CA THR A 36 6.838 2.815 13.073 1.00 0.00 C ATOM 620 C THR A 36 6.783 4.221 12.482 1.00 0.00 C ATOM 621 O THR A 36 7.581 5.086 12.842 1.00 0.00 O ATOM 622 CB THR A 36 7.648 1.897 12.157 1.00 0.00 C ATOM 623 OG1 THR A 36 7.176 1.975 10.823 1.00 0.00 O ATOM 624 CG2 THR A 36 7.603 0.444 12.574 1.00 0.00 C ATOM 0 H THR A 36 5.199 1.615 12.552 1.00 0.00 H new ATOM 0 HA THR A 36 7.325 2.870 14.047 1.00 0.00 H new ATOM 0 HB THR A 36 8.677 2.249 12.234 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.350 1.455 10.738 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.198 -0.152 11.882 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.007 0.342 13.581 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.571 0.093 12.560 1.00 0.00 H new ATOM 632 N MET A 37 5.840 4.440 11.571 1.00 0.00 N ATOM 633 CA MET A 37 5.682 5.740 10.930 1.00 0.00 C ATOM 634 C MET A 37 6.939 6.117 10.148 1.00 0.00 C ATOM 635 O MET A 37 7.544 7.162 10.390 1.00 0.00 O ATOM 636 CB MET A 37 5.371 6.816 11.974 1.00 0.00 C ATOM 637 CG MET A 37 3.943 6.762 12.495 1.00 0.00 C ATOM 638 SD MET A 37 2.886 8.022 11.758 1.00 0.00 S ATOM 639 CE MET A 37 1.296 7.198 11.801 1.00 0.00 C ATOM 0 H MET A 37 5.173 3.733 11.260 1.00 0.00 H new ATOM 0 HA MET A 37 4.848 5.674 10.232 1.00 0.00 H new ATOM 0 HB2 MET A 37 6.059 6.707 12.812 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.553 7.798 11.537 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.523 5.777 12.291 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.951 6.888 13.578 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.535 7.853 11.377 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.347 6.278 11.219 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.037 6.961 12.833 1.00 0.00 H new ATOM 649 N ASP A 38 7.324 5.259 9.208 1.00 0.00 N ATOM 650 CA ASP A 38 8.507 5.502 8.390 1.00 0.00 C ATOM 651 C ASP A 38 8.177 5.371 6.906 1.00 0.00 C ATOM 652 O ASP A 38 8.157 4.267 6.360 1.00 0.00 O ATOM 653 CB ASP A 38 9.623 4.526 8.767 1.00 0.00 C ATOM 654 CG ASP A 38 10.646 5.148 9.698 1.00 0.00 C ATOM 655 OD1 ASP A 38 10.235 5.771 10.699 1.00 0.00 O ATOM 656 OD2 ASP A 38 11.857 5.011 9.425 1.00 0.00 O ATOM 0 H ASP A 38 6.834 4.390 8.994 1.00 0.00 H new ATOM 0 HA ASP A 38 8.847 6.520 8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.188 3.648 9.244 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.122 4.182 7.861 1.00 0.00 H new ATOM 661 N VAL A 39 7.917 6.504 6.261 1.00 0.00 N ATOM 662 CA VAL A 39 7.587 6.515 4.840 1.00 0.00 C ATOM 663 C VAL A 39 8.731 5.952 4.004 1.00 0.00 C ATOM 664 O VAL A 39 8.507 5.352 2.952 1.00 0.00 O ATOM 665 CB VAL A 39 7.259 7.939 4.353 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.729 7.908 2.928 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.260 8.607 5.286 1.00 0.00 C ATOM 0 H VAL A 39 7.928 7.425 6.699 1.00 0.00 H new ATOM 0 HA VAL A 39 6.707 5.884 4.714 1.00 0.00 H new ATOM 0 HB VAL A 39 8.178 8.526 4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.503 8.923 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.481 7.474 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.822 7.304 2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.041 9.612 4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.340 8.023 5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.682 8.666 6.289 1.00 0.00 H new ATOM 677 N ALA A 40 9.957 6.150 4.479 1.00 0.00 N ATOM 678 CA ALA A 40 11.137 5.662 3.773 1.00 0.00 C ATOM 679 C ALA A 40 11.163 4.137 3.737 1.00 0.00 C ATOM 680 O ALA A 40 11.511 3.537 2.719 1.00 0.00 O ATOM 681 CB ALA A 40 12.401 6.197 4.430 1.00 0.00 C ATOM 0 H ALA A 40 10.159 6.644 5.348 1.00 0.00 H new ATOM 0 HA ALA A 40 11.092 6.023 2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.275 5.826 3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.393 7.287 4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.442 5.862 5.467 1.00 0.00 H new ATOM 687 N VAL A 41 10.794 3.516 4.852 1.00 0.00 N ATOM 688 CA VAL A 41 10.776 2.062 4.947 1.00 0.00 C ATOM 689 C VAL A 41 9.606 1.476 4.166 1.00 0.00 C ATOM 690 O VAL A 41 9.723 0.414 3.554 1.00 0.00 O ATOM 691 CB VAL A 41 10.685 1.596 6.414 1.00 0.00 C ATOM 692 CG1 VAL A 41 10.832 0.085 6.507 1.00 0.00 C ATOM 693 CG2 VAL A 41 11.737 2.294 7.262 1.00 0.00 C ATOM 0 H VAL A 41 10.503 3.998 5.703 1.00 0.00 H new ATOM 0 HA VAL A 41 11.712 1.705 4.518 1.00 0.00 H new ATOM 0 HB VAL A 41 9.702 1.865 6.800 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.765 -0.224 7.550 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.037 -0.394 5.935 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.800 -0.212 6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.658 1.953 8.294 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.729 2.059 6.877 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.579 3.372 7.223 1.00 0.00 H new ATOM 703 N LEU A 42 8.478 2.177 4.192 1.00 0.00 N ATOM 704 CA LEU A 42 7.283 1.728 3.485 1.00 0.00 C ATOM 705 C LEU A 42 7.553 1.594 1.990 1.00 0.00 C ATOM 706 O LEU A 42 7.195 0.591 1.372 1.00 0.00 O ATOM 707 CB LEU A 42 6.130 2.707 3.721 1.00 0.00 C ATOM 708 CG LEU A 42 4.824 2.353 3.004 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.897 1.585 3.933 1.00 0.00 C ATOM 710 CD2 LEU A 42 4.142 3.611 2.488 1.00 0.00 C ATOM 0 H LEU A 42 8.365 3.058 4.694 1.00 0.00 H new ATOM 0 HA LEU A 42 7.006 0.748 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.935 2.764 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.445 3.700 3.401 1.00 0.00 H new ATOM 0 HG LEU A 42 5.060 1.716 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.974 1.342 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.385 0.665 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.667 2.197 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.216 3.341 1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.918 4.273 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.803 4.122 1.788 1.00 0.00 H new ATOM 722 N VAL A 43 8.186 2.611 1.413 1.00 0.00 N ATOM 723 CA VAL A 43 8.503 2.606 -0.009 1.00 0.00 C ATOM 724 C VAL A 43 9.422 1.440 -0.365 1.00 0.00 C ATOM 725 O VAL A 43 9.254 0.802 -1.404 1.00 0.00 O ATOM 726 CB VAL A 43 9.179 3.922 -0.438 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.304 3.988 -1.953 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.404 5.121 0.094 1.00 0.00 C ATOM 0 H VAL A 43 8.489 3.449 1.910 1.00 0.00 H new ATOM 0 HA VAL A 43 7.558 2.498 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 43 10.182 3.950 -0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.784 4.924 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.906 3.150 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.312 3.937 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.897 6.041 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.388 5.101 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.372 5.079 1.183 1.00 0.00 H new ATOM 738 N GLY A 44 10.391 1.172 0.502 1.00 0.00 N ATOM 739 CA GLY A 44 11.324 0.085 0.261 1.00 0.00 C ATOM 740 C GLY A 44 10.632 -1.256 0.116 1.00 0.00 C ATOM 741 O GLY A 44 10.755 -1.917 -0.916 1.00 0.00 O ATOM 0 H GLY A 44 10.548 1.687 1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.895 0.295 -0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.037 0.034 1.083 1.00 0.00 H new ATOM 745 N ASP A 45 9.906 -1.661 1.153 1.00 0.00 N ATOM 746 CA ASP A 45 9.196 -2.935 1.137 1.00 0.00 C ATOM 747 C ASP A 45 8.198 -2.993 -0.016 1.00 0.00 C ATOM 748 O ASP A 45 8.176 -3.955 -0.783 1.00 0.00 O ATOM 749 CB ASP A 45 8.468 -3.153 2.466 1.00 0.00 C ATOM 750 CG ASP A 45 8.474 -4.608 2.896 1.00 0.00 C ATOM 751 OD1 ASP A 45 8.241 -5.482 2.036 1.00 0.00 O ATOM 752 OD2 ASP A 45 8.713 -4.871 4.094 1.00 0.00 O ATOM 0 H ASP A 45 9.794 -1.126 2.014 1.00 0.00 H new ATOM 0 HA ASP A 45 9.931 -3.727 0.996 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.939 -2.546 3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.438 -2.808 2.374 1.00 0.00 H new ATOM 757 N LEU A 46 7.373 -1.957 -0.130 1.00 0.00 N ATOM 758 CA LEU A 46 6.371 -1.890 -1.189 1.00 0.00 C ATOM 759 C LEU A 46 7.017 -2.030 -2.565 1.00 0.00 C ATOM 760 O LEU A 46 6.394 -2.520 -3.505 1.00 0.00 O ATOM 761 CB LEU A 46 5.597 -0.573 -1.108 1.00 0.00 C ATOM 762 CG LEU A 46 4.493 -0.536 -0.051 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.934 0.872 0.088 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.386 -1.519 -0.400 1.00 0.00 C ATOM 0 H LEU A 46 7.378 -1.153 0.497 1.00 0.00 H new ATOM 0 HA LEU A 46 5.678 -2.720 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.302 0.233 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.153 -0.369 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 46 4.924 -0.830 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.149 0.879 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.732 1.552 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.520 1.195 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.609 -1.478 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.958 -1.256 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.797 -2.528 -0.447 1.00 0.00 H new ATOM 776 N LYS A 47 8.269 -1.598 -2.676 1.00 0.00 N ATOM 777 CA LYS A 47 8.992 -1.680 -3.938 1.00 0.00 C ATOM 778 C LYS A 47 9.378 -3.123 -4.248 1.00 0.00 C ATOM 779 O LYS A 47 9.177 -3.606 -5.363 1.00 0.00 O ATOM 780 CB LYS A 47 10.244 -0.804 -3.892 1.00 0.00 C ATOM 781 CG LYS A 47 10.815 -0.484 -5.265 1.00 0.00 C ATOM 782 CD LYS A 47 10.549 0.960 -5.660 1.00 0.00 C ATOM 783 CE LYS A 47 11.723 1.860 -5.307 1.00 0.00 C ATOM 784 NZ LYS A 47 12.603 2.112 -6.482 1.00 0.00 N ATOM 0 H LYS A 47 8.802 -1.189 -1.909 1.00 0.00 H new ATOM 0 HA LYS A 47 8.335 -1.319 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.006 0.129 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.007 -1.307 -3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.889 -0.670 -5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.376 -1.151 -6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.356 1.016 -6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.651 1.317 -5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.350 2.809 -4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.306 1.400 -4.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.391 2.729 -6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.980 1.209 -6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.054 2.574 -7.234 1.00 0.00 H new ATOM 798 N LEU A 48 9.936 -3.805 -3.255 1.00 0.00 N ATOM 799 CA LEU A 48 10.355 -5.193 -3.418 1.00 0.00 C ATOM 800 C LEU A 48 9.189 -6.076 -3.857 1.00 0.00 C ATOM 801 O LEU A 48 9.362 -6.990 -4.664 1.00 0.00 O ATOM 802 CB LEU A 48 10.946 -5.726 -2.111 1.00 0.00 C ATOM 803 CG LEU A 48 12.090 -4.892 -1.531 1.00 0.00 C ATOM 804 CD1 LEU A 48 12.068 -4.939 -0.011 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.428 -5.387 -2.061 1.00 0.00 C ATOM 0 H LEU A 48 10.109 -3.419 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 48 11.118 -5.221 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.150 -5.789 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.306 -6.741 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 48 11.956 -3.856 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.889 -4.340 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.121 -4.540 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.179 -5.971 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.232 -4.784 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.569 -6.430 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.443 -5.303 -3.148 1.00 0.00 H new ATOM 817 N VAL A 49 8.005 -5.802 -3.319 1.00 0.00 N ATOM 818 CA VAL A 49 6.817 -6.580 -3.656 1.00 0.00 C ATOM 819 C VAL A 49 6.133 -6.032 -4.906 1.00 0.00 C ATOM 820 O VAL A 49 5.749 -6.788 -5.799 1.00 0.00 O ATOM 821 CB VAL A 49 5.819 -6.614 -2.476 1.00 0.00 C ATOM 822 CG1 VAL A 49 4.872 -5.422 -2.495 1.00 0.00 C ATOM 823 CG2 VAL A 49 5.040 -7.922 -2.474 1.00 0.00 C ATOM 0 H VAL A 49 7.842 -5.050 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 49 7.145 -7.599 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 49 6.399 -6.550 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.189 -5.487 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.448 -4.499 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.301 -5.426 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.342 -7.929 -1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.487 -8.017 -3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.733 -8.758 -2.376 1.00 0.00 H new ATOM 833 N ILE A 50 5.986 -4.714 -4.961 1.00 0.00 N ATOM 834 CA ILE A 50 5.347 -4.060 -6.101 1.00 0.00 C ATOM 835 C ILE A 50 6.350 -3.760 -7.216 1.00 0.00 C ATOM 836 O ILE A 50 6.054 -2.999 -8.139 1.00 0.00 O ATOM 837 CB ILE A 50 4.651 -2.746 -5.685 1.00 0.00 C ATOM 838 CG1 ILE A 50 3.761 -2.974 -4.461 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.831 -2.193 -6.841 1.00 0.00 C ATOM 840 CD1 ILE A 50 3.059 -1.722 -3.983 1.00 0.00 C ATOM 0 H ILE A 50 6.300 -4.075 -4.230 1.00 0.00 H new ATOM 0 HA ILE A 50 4.598 -4.759 -6.474 1.00 0.00 H new ATOM 0 HB ILE A 50 5.418 -2.017 -5.422 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.014 -3.731 -4.701 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.369 -3.373 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.346 -1.267 -6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.486 -1.995 -7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.073 -2.921 -7.130 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.446 -1.958 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.800 -0.970 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.424 -1.334 -4.780 1.00 0.00 H new ATOM 852 N ASN A 51 7.538 -4.358 -7.134 1.00 0.00 N ATOM 853 CA ASN A 51 8.573 -4.145 -8.144 1.00 0.00 C ATOM 854 C ASN A 51 8.033 -4.422 -9.544 1.00 0.00 C ATOM 855 O ASN A 51 8.309 -3.679 -10.487 1.00 0.00 O ATOM 856 CB ASN A 51 9.779 -5.045 -7.865 1.00 0.00 C ATOM 857 CG ASN A 51 9.392 -6.505 -7.728 1.00 0.00 C ATOM 858 OD1 ASN A 51 8.296 -6.829 -7.269 1.00 0.00 O ATOM 859 ND2 ASN A 51 10.292 -7.395 -8.127 1.00 0.00 N ATOM 0 H ASN A 51 7.807 -4.992 -6.381 1.00 0.00 H new ATOM 0 HA ASN A 51 8.885 -3.102 -8.094 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.503 -4.938 -8.673 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.271 -4.715 -6.950 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.088 -8.392 -8.059 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.188 -7.082 -8.501 1.00 0.00 H new ATOM 866 N GLU A 52 7.261 -5.496 -9.671 1.00 0.00 N ATOM 867 CA GLU A 52 6.676 -5.879 -10.947 1.00 0.00 C ATOM 868 C GLU A 52 5.853 -4.734 -11.535 1.00 0.00 C ATOM 869 O GLU A 52 4.841 -4.332 -10.964 1.00 0.00 O ATOM 870 CB GLU A 52 5.796 -7.118 -10.776 1.00 0.00 C ATOM 871 CG GLU A 52 6.583 -8.391 -10.516 1.00 0.00 C ATOM 872 CD GLU A 52 6.706 -9.264 -11.750 1.00 0.00 C ATOM 873 OE1 GLU A 52 5.661 -9.597 -12.346 1.00 0.00 O ATOM 874 OE2 GLU A 52 7.847 -9.613 -12.119 1.00 0.00 O ATOM 0 H GLU A 52 7.026 -6.119 -8.899 1.00 0.00 H new ATOM 0 HA GLU A 52 7.488 -6.110 -11.636 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.106 -6.952 -9.949 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.192 -7.251 -11.673 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.579 -8.131 -10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.098 -8.958 -9.722 1.00 0.00 H new ATOM 881 N PRO A 53 6.282 -4.193 -12.686 1.00 0.00 N ATOM 882 CA PRO A 53 5.587 -3.090 -13.356 1.00 0.00 C ATOM 883 C PRO A 53 4.070 -3.270 -13.365 1.00 0.00 C ATOM 884 O PRO A 53 3.319 -2.294 -13.336 1.00 0.00 O ATOM 885 CB PRO A 53 6.142 -3.150 -14.775 1.00 0.00 C ATOM 886 CG PRO A 53 7.523 -3.692 -14.618 1.00 0.00 C ATOM 887 CD PRO A 53 7.487 -4.613 -13.424 1.00 0.00 C ATOM 0 HA PRO A 53 5.749 -2.136 -12.854 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.534 -3.793 -15.411 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.154 -2.163 -15.238 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.833 -4.230 -15.514 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.241 -2.886 -14.465 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.425 -5.658 -13.728 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.385 -4.511 -12.814 1.00 0.00 H new ATOM 895 N SER A 54 3.626 -4.522 -13.407 1.00 0.00 N ATOM 896 CA SER A 54 2.200 -4.829 -13.421 1.00 0.00 C ATOM 897 C SER A 54 1.545 -4.457 -12.093 1.00 0.00 C ATOM 898 O SER A 54 0.366 -4.108 -12.047 1.00 0.00 O ATOM 899 CB SER A 54 1.980 -6.315 -13.713 1.00 0.00 C ATOM 900 OG SER A 54 1.897 -6.555 -15.107 1.00 0.00 O ATOM 0 H SER A 54 4.233 -5.341 -13.432 1.00 0.00 H new ATOM 0 HA SER A 54 1.736 -4.237 -14.210 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.798 -6.897 -13.289 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.064 -6.652 -13.228 1.00 0.00 H new ATOM 0 HG SER A 54 1.758 -7.512 -15.266 1.00 0.00 H new ATOM 906 N ARG A 55 2.319 -4.538 -11.015 1.00 0.00 N ATOM 907 CA ARG A 55 1.818 -4.214 -9.683 1.00 0.00 C ATOM 908 C ARG A 55 1.959 -2.722 -9.379 1.00 0.00 C ATOM 909 O ARG A 55 1.450 -2.240 -8.367 1.00 0.00 O ATOM 910 CB ARG A 55 2.569 -5.023 -8.625 1.00 0.00 C ATOM 911 CG ARG A 55 2.632 -6.512 -8.920 1.00 0.00 C ATOM 912 CD ARG A 55 3.389 -7.262 -7.835 1.00 0.00 C ATOM 913 NE ARG A 55 2.789 -8.563 -7.548 1.00 0.00 N ATOM 914 CZ ARG A 55 2.913 -9.626 -8.340 1.00 0.00 C ATOM 915 NH1 ARG A 55 3.616 -9.548 -9.463 1.00 0.00 N ATOM 916 NH2 ARG A 55 2.334 -10.772 -8.007 1.00 0.00 N ATOM 0 H ARG A 55 3.297 -4.826 -11.038 1.00 0.00 H new ATOM 0 HA ARG A 55 0.759 -4.471 -9.658 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.584 -4.636 -8.539 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.088 -4.874 -7.658 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.621 -6.911 -9.002 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.118 -6.673 -9.882 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.425 -7.401 -8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.407 -6.662 -6.925 1.00 0.00 H new ATOM 0 HE ARG A 55 2.244 -8.663 -6.692 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.065 -8.670 -9.724 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.707 -10.366 -10.065 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.794 -10.839 -7.144 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.429 -11.586 -8.614 1.00 0.00 H new ATOM 930 N LEU A 56 2.657 -1.996 -10.248 1.00 0.00 N ATOM 931 CA LEU A 56 2.868 -0.562 -10.056 1.00 0.00 C ATOM 932 C LEU A 56 1.572 0.160 -9.677 1.00 0.00 C ATOM 933 O LEU A 56 1.549 0.946 -8.729 1.00 0.00 O ATOM 934 CB LEU A 56 3.468 0.060 -11.320 1.00 0.00 C ATOM 935 CG LEU A 56 4.985 -0.082 -11.452 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.441 0.328 -12.843 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.688 0.750 -10.390 1.00 0.00 C ATOM 0 H LEU A 56 3.086 -2.376 -11.092 1.00 0.00 H new ATOM 0 HA LEU A 56 3.567 -0.442 -9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.998 -0.398 -12.190 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.214 1.120 -11.341 1.00 0.00 H new ATOM 0 HG LEU A 56 5.250 -1.129 -11.302 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.523 0.220 -12.918 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.961 -0.309 -13.586 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.167 1.367 -13.024 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.767 0.639 -10.496 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.417 1.799 -10.511 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.384 0.409 -9.400 1.00 0.00 H new ATOM 949 N PRO A 57 0.471 -0.088 -10.413 1.00 0.00 N ATOM 950 CA PRO A 57 -0.821 0.552 -10.140 1.00 0.00 C ATOM 951 C PRO A 57 -1.221 0.482 -8.667 1.00 0.00 C ATOM 952 O PRO A 57 -1.993 1.312 -8.187 1.00 0.00 O ATOM 953 CB PRO A 57 -1.799 -0.254 -10.995 1.00 0.00 C ATOM 954 CG PRO A 57 -0.977 -0.763 -12.127 1.00 0.00 C ATOM 955 CD PRO A 57 0.398 -1.006 -11.568 1.00 0.00 C ATOM 0 HA PRO A 57 -0.799 1.617 -10.371 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.241 -1.072 -10.427 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.621 0.368 -11.350 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.400 -1.681 -12.534 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.944 -0.039 -12.941 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.529 -2.044 -11.264 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.174 -0.789 -12.302 1.00 0.00 H new ATOM 963 N LEU A 58 -0.701 -0.515 -7.956 1.00 0.00 N ATOM 964 CA LEU A 58 -1.018 -0.687 -6.541 1.00 0.00 C ATOM 965 C LEU A 58 -0.677 0.565 -5.738 1.00 0.00 C ATOM 966 O LEU A 58 -1.441 0.978 -4.867 1.00 0.00 O ATOM 967 CB LEU A 58 -0.267 -1.889 -5.966 1.00 0.00 C ATOM 968 CG LEU A 58 -0.882 -3.253 -6.286 1.00 0.00 C ATOM 969 CD1 LEU A 58 0.153 -4.356 -6.129 1.00 0.00 C ATOM 970 CD2 LEU A 58 -2.084 -3.515 -5.391 1.00 0.00 C ATOM 0 H LEU A 58 -0.061 -1.213 -8.334 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.091 -0.863 -6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.756 -1.872 -6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.211 -1.778 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.219 -3.246 -7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.303 -5.319 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.984 -4.175 -6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.521 -4.366 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.511 -4.489 -5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.770 -3.503 -4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.834 -2.741 -5.553 1.00 0.00 H new ATOM 982 N PHE A 59 0.475 1.163 -6.034 1.00 0.00 N ATOM 983 CA PHE A 59 0.919 2.366 -5.333 1.00 0.00 C ATOM 984 C PHE A 59 -0.185 3.421 -5.293 1.00 0.00 C ATOM 985 O PHE A 59 -0.364 4.114 -4.287 1.00 0.00 O ATOM 986 CB PHE A 59 2.163 2.943 -6.009 1.00 0.00 C ATOM 987 CG PHE A 59 3.430 2.216 -5.661 1.00 0.00 C ATOM 988 CD1 PHE A 59 4.046 2.420 -4.436 1.00 0.00 C ATOM 989 CD2 PHE A 59 4.005 1.327 -6.557 1.00 0.00 C ATOM 990 CE1 PHE A 59 5.213 1.751 -4.112 1.00 0.00 C ATOM 991 CE2 PHE A 59 5.169 0.657 -6.239 1.00 0.00 C ATOM 992 CZ PHE A 59 5.775 0.870 -5.015 1.00 0.00 C ATOM 0 H PHE A 59 1.118 0.834 -6.754 1.00 0.00 H new ATOM 0 HA PHE A 59 1.163 2.086 -4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.024 2.916 -7.090 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.266 3.991 -5.727 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.610 3.108 -3.727 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.536 1.157 -7.515 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.684 1.917 -3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.606 -0.033 -6.946 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.687 0.348 -4.765 1.00 0.00 H new ATOM 1002 N ASP A 60 -0.927 3.534 -6.391 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.015 4.498 -6.478 1.00 0.00 C ATOM 1004 C ASP A 60 -2.979 4.329 -5.311 1.00 0.00 C ATOM 1005 O ASP A 60 -3.394 5.304 -4.692 1.00 0.00 O ATOM 1006 CB ASP A 60 -2.763 4.339 -7.803 1.00 0.00 C ATOM 1007 CG ASP A 60 -1.876 4.599 -9.004 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -0.654 4.360 -8.904 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -2.403 5.041 -10.046 1.00 0.00 O ATOM 0 H ASP A 60 -0.794 2.970 -7.231 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.587 5.499 -6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.171 3.330 -7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.609 5.026 -7.824 1.00 0.00 H new ATOM 1014 N ALA A 61 -3.324 3.081 -5.021 1.00 0.00 N ATOM 1015 CA ALA A 61 -4.234 2.766 -3.924 1.00 0.00 C ATOM 1016 C ALA A 61 -3.571 2.980 -2.565 1.00 0.00 C ATOM 1017 O ALA A 61 -4.247 3.239 -1.571 1.00 0.00 O ATOM 1018 CB ALA A 61 -4.728 1.334 -4.053 1.00 0.00 C ATOM 0 H ALA A 61 -2.986 2.266 -5.532 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.084 3.446 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.406 1.108 -3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.254 1.214 -5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.878 0.652 -4.021 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.246 2.865 -2.525 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.503 3.040 -1.281 1.00 0.00 C ATOM 1026 C ILE A 62 -1.592 4.477 -0.777 1.00 0.00 C ATOM 1027 O ILE A 62 -1.680 4.714 0.428 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.018 2.659 -1.441 1.00 0.00 C ATOM 1029 CG1 ILE A 62 0.116 1.286 -2.103 1.00 0.00 C ATOM 1030 CG2 ILE A 62 0.679 2.666 -0.089 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.660 0.193 -1.399 1.00 0.00 C ATOM 0 H ILE A 62 -1.667 2.652 -3.337 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.963 2.372 -0.553 1.00 0.00 H new ATOM 0 HB ILE A 62 0.461 3.399 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.226 1.355 -3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.170 1.009 -2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.727 2.395 -0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.613 3.662 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.197 1.946 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.517 -0.751 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.302 0.095 -0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.720 0.447 -1.391 1.00 0.00 H new ATOM 1043 N ARG A 63 -1.558 5.434 -1.698 1.00 0.00 N ATOM 1044 CA ARG A 63 -1.626 6.847 -1.327 1.00 0.00 C ATOM 1045 C ARG A 63 -2.896 7.152 -0.525 1.00 0.00 C ATOM 1046 O ARG A 63 -2.821 7.608 0.615 1.00 0.00 O ATOM 1047 CB ARG A 63 -1.570 7.729 -2.577 1.00 0.00 C ATOM 1048 CG ARG A 63 -0.323 8.593 -2.656 1.00 0.00 C ATOM 1049 CD ARG A 63 -0.603 9.917 -3.351 1.00 0.00 C ATOM 1050 NE ARG A 63 -0.469 9.812 -4.803 1.00 0.00 N ATOM 1051 CZ ARG A 63 -1.481 9.549 -5.630 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -2.707 9.358 -5.159 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -1.264 9.477 -6.937 1.00 0.00 N ATOM 0 H ARG A 63 -1.484 5.261 -2.701 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.765 7.068 -0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.619 7.094 -3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.450 8.372 -2.597 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.054 8.782 -1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.459 8.057 -3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.611 10.251 -3.103 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.085 10.675 -2.977 1.00 0.00 H new ATOM 0 HE ARG A 63 0.457 9.949 -5.209 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.882 9.412 -4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.474 9.157 -5.800 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.325 9.623 -7.307 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.037 9.276 -7.572 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.083 6.907 -1.113 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.368 7.161 -0.449 1.00 0.00 C ATOM 1069 C PRO A 64 -5.410 6.643 0.986 1.00 0.00 C ATOM 1070 O PRO A 64 -5.742 7.383 1.911 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.358 6.389 -1.320 1.00 0.00 C ATOM 1072 CG PRO A 64 -5.756 6.412 -2.678 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.267 6.370 -2.474 1.00 0.00 C ATOM 0 HA PRO A 64 -5.577 8.227 -0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.490 5.368 -0.962 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.342 6.858 -1.314 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.093 5.560 -3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.050 7.311 -3.220 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.880 5.355 -2.559 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.744 6.973 -3.216 1.00 0.00 H new ATOM 1081 N LEU A 65 -5.078 5.369 1.162 1.00 0.00 N ATOM 1082 CA LEU A 65 -5.086 4.755 2.486 1.00 0.00 C ATOM 1083 C LEU A 65 -4.023 5.369 3.397 1.00 0.00 C ATOM 1084 O LEU A 65 -4.050 5.172 4.612 1.00 0.00 O ATOM 1085 CB LEU A 65 -4.874 3.242 2.379 1.00 0.00 C ATOM 1086 CG LEU A 65 -3.666 2.807 1.547 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -2.412 2.775 2.408 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -3.922 1.445 0.916 1.00 0.00 C ATOM 0 H LEU A 65 -4.800 4.742 0.407 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.063 4.948 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.767 2.835 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.770 2.796 1.948 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.513 3.532 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.562 2.464 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.224 3.769 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.551 2.069 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.054 1.148 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.098 0.708 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.797 1.502 0.269 1.00 0.00 H new ATOM 1100 N ILE A 66 -3.085 6.108 2.810 1.00 0.00 N ATOM 1101 CA ILE A 66 -2.022 6.738 3.583 1.00 0.00 C ATOM 1102 C ILE A 66 -2.394 8.174 3.969 1.00 0.00 C ATOM 1103 O ILE A 66 -3.020 8.893 3.189 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.677 6.715 2.805 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.408 6.019 3.632 1.00 0.00 C ATOM 1106 CG2 ILE A 66 -0.228 8.117 2.410 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.083 4.879 2.900 1.00 0.00 C ATOM 0 H ILE A 66 -3.040 6.284 1.806 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.897 6.162 4.500 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.839 6.151 1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.161 6.752 3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.035 5.638 4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.716 8.058 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.984 8.575 1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.094 8.722 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.840 4.431 3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.340 4.126 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.555 5.258 1.993 1.00 0.00 H new ATOM 1119 N PRO A 67 -2.014 8.606 5.186 1.00 0.00 N ATOM 1120 CA PRO A 67 -2.306 9.953 5.687 1.00 0.00 C ATOM 1121 C PRO A 67 -1.999 11.048 4.665 1.00 0.00 C ATOM 1122 O PRO A 67 -1.209 10.852 3.741 1.00 0.00 O ATOM 1123 CB PRO A 67 -1.397 10.097 6.919 1.00 0.00 C ATOM 1124 CG PRO A 67 -0.540 8.871 6.950 1.00 0.00 C ATOM 1125 CD PRO A 67 -1.276 7.818 6.177 1.00 0.00 C ATOM 0 HA PRO A 67 -3.366 10.069 5.911 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.786 10.997 6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.988 10.182 7.831 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.435 9.068 6.505 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.363 8.547 7.976 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.594 7.110 5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.945 7.240 6.815 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.644 12.197 4.840 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.466 13.339 3.937 1.00 0.00 C ATOM 1135 C LEU A 68 -0.990 13.713 3.777 1.00 0.00 C ATOM 1136 O LEU A 68 -0.414 13.545 2.704 1.00 0.00 O ATOM 1137 CB LEU A 68 -3.258 14.573 4.415 1.00 0.00 C ATOM 1138 CG LEU A 68 -3.994 14.437 5.753 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -3.008 14.340 6.908 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -4.935 15.615 5.957 1.00 0.00 C ATOM 0 H LEU A 68 -3.300 12.367 5.603 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.854 13.025 2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.568 15.414 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.989 14.827 3.648 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.580 13.518 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.555 14.244 7.846 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.370 13.467 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.392 15.239 6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.452 15.507 6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.362 16.542 5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.666 15.641 5.149 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.388 14.231 4.843 1.00 0.00 N ATOM 1153 CA LYS A 69 1.016 14.641 4.811 1.00 0.00 C ATOM 1154 C LYS A 69 1.883 13.583 4.136 1.00 0.00 C ATOM 1155 O LYS A 69 2.745 13.897 3.311 1.00 0.00 O ATOM 1156 CB LYS A 69 1.532 14.896 6.230 1.00 0.00 C ATOM 1157 CG LYS A 69 0.670 15.854 7.034 1.00 0.00 C ATOM 1158 CD LYS A 69 0.853 15.646 8.529 1.00 0.00 C ATOM 1159 CE LYS A 69 -0.133 16.476 9.336 1.00 0.00 C ATOM 1160 NZ LYS A 69 0.556 17.368 10.309 1.00 0.00 N ATOM 0 H LYS A 69 -0.849 14.378 5.741 1.00 0.00 H new ATOM 0 HA LYS A 69 1.078 15.563 4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.594 13.946 6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.545 15.295 6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.926 16.881 6.774 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.378 15.711 6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.722 14.591 8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.871 15.913 8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.740 17.077 8.659 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.813 15.813 9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.151 17.916 10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.115 16.793 10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.186 18.018 9.798 1.00 0.00 H new ATOM 1174 N HIS A 70 1.650 12.327 4.497 1.00 0.00 N ATOM 1175 CA HIS A 70 2.410 11.221 3.936 1.00 0.00 C ATOM 1176 C HIS A 70 2.069 11.005 2.464 1.00 0.00 C ATOM 1177 O HIS A 70 2.901 10.524 1.699 1.00 0.00 O ATOM 1178 CB HIS A 70 2.155 9.948 4.742 1.00 0.00 C ATOM 1179 CG HIS A 70 2.552 10.079 6.180 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.145 9.059 6.896 1.00 0.00 N ATOM 1181 CD2 HIS A 70 2.437 11.121 7.040 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.375 9.466 8.131 1.00 0.00 C ATOM 1183 NE2 HIS A 70 2.956 10.713 8.243 1.00 0.00 N ATOM 0 H HIS A 70 0.941 12.051 5.176 1.00 0.00 H new ATOM 0 HA HIS A 70 3.470 11.470 3.995 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.097 9.693 4.684 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.706 9.123 4.292 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.016 12.091 6.819 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.829 8.879 8.916 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.009 11.282 9.088 1.00 0.00 H new ATOM 1192 N GLN A 71 0.853 11.376 2.065 1.00 0.00 N ATOM 1193 CA GLN A 71 0.439 11.227 0.672 1.00 0.00 C ATOM 1194 C GLN A 71 1.327 12.076 -0.227 1.00 0.00 C ATOM 1195 O GLN A 71 1.939 11.577 -1.175 1.00 0.00 O ATOM 1196 CB GLN A 71 -1.027 11.636 0.489 1.00 0.00 C ATOM 1197 CG GLN A 71 -2.012 10.498 0.694 1.00 0.00 C ATOM 1198 CD GLN A 71 -3.416 10.856 0.248 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -4.161 11.512 0.974 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -3.784 10.422 -0.952 1.00 0.00 N ATOM 0 H GLN A 71 0.145 11.778 2.679 1.00 0.00 H new ATOM 0 HA GLN A 71 0.541 10.177 0.396 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.261 12.437 1.190 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.159 12.042 -0.514 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.671 9.623 0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.029 10.222 1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.133 9.881 -1.520 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.718 10.630 -1.305 1.00 0.00 H new ATOM 1209 N VAL A 72 1.400 13.362 0.090 1.00 0.00 N ATOM 1210 CA VAL A 72 2.221 14.294 -0.670 1.00 0.00 C ATOM 1211 C VAL A 72 3.673 13.834 -0.689 1.00 0.00 C ATOM 1212 O VAL A 72 4.318 13.822 -1.738 1.00 0.00 O ATOM 1213 CB VAL A 72 2.150 15.717 -0.084 1.00 0.00 C ATOM 1214 CG1 VAL A 72 2.851 16.709 -0.999 1.00 0.00 C ATOM 1215 CG2 VAL A 72 0.703 16.125 0.150 1.00 0.00 C ATOM 0 H VAL A 72 0.898 13.784 0.871 1.00 0.00 H new ATOM 0 HA VAL A 72 1.829 14.315 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 72 2.665 15.721 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.790 17.708 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.898 16.425 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.369 16.706 -1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.672 17.133 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.162 16.104 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.238 15.431 0.850 1.00 0.00 H new ATOM 1225 N GLU A 73 4.181 13.448 0.478 1.00 0.00 N ATOM 1226 CA GLU A 73 5.557 12.979 0.586 1.00 0.00 C ATOM 1227 C GLU A 73 5.742 11.687 -0.199 1.00 0.00 C ATOM 1228 O GLU A 73 6.780 11.478 -0.828 1.00 0.00 O ATOM 1229 CB GLU A 73 5.938 12.765 2.051 1.00 0.00 C ATOM 1230 CG GLU A 73 7.432 12.860 2.312 1.00 0.00 C ATOM 1231 CD GLU A 73 7.817 14.125 3.052 1.00 0.00 C ATOM 1232 OE1 GLU A 73 7.180 14.427 4.082 1.00 0.00 O ATOM 1233 OE2 GLU A 73 8.756 14.815 2.602 1.00 0.00 O ATOM 0 H GLU A 73 3.663 13.451 1.357 1.00 0.00 H new ATOM 0 HA GLU A 73 6.212 13.741 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.423 13.505 2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.584 11.785 2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.751 11.994 2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.966 12.823 1.362 1.00 0.00 H new ATOM 1240 N TYR A 74 4.727 10.827 -0.177 1.00 0.00 N ATOM 1241 CA TYR A 74 4.788 9.570 -0.907 1.00 0.00 C ATOM 1242 C TYR A 74 5.064 9.850 -2.377 1.00 0.00 C ATOM 1243 O TYR A 74 5.829 9.138 -3.028 1.00 0.00 O ATOM 1244 CB TYR A 74 3.480 8.790 -0.758 1.00 0.00 C ATOM 1245 CG TYR A 74 3.633 7.299 -0.968 1.00 0.00 C ATOM 1246 CD1 TYR A 74 4.679 6.600 -0.376 1.00 0.00 C ATOM 1247 CD2 TYR A 74 2.735 6.592 -1.757 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.822 5.239 -0.566 1.00 0.00 C ATOM 1249 CE2 TYR A 74 2.873 5.231 -1.950 1.00 0.00 C ATOM 1250 CZ TYR A 74 3.918 4.560 -1.353 1.00 0.00 C ATOM 1251 OH TYR A 74 4.059 3.203 -1.542 1.00 0.00 O ATOM 0 H TYR A 74 3.859 10.979 0.336 1.00 0.00 H new ATOM 0 HA TYR A 74 5.594 8.964 -0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.073 8.968 0.237 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.754 9.176 -1.473 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.390 7.129 0.241 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.915 7.115 -2.227 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.639 4.709 -0.099 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.165 4.696 -2.566 1.00 0.00 H new ATOM 0 HH TYR A 74 4.584 3.038 -2.353 1.00 0.00 H new ATOM 1261 N ASP A 75 4.444 10.910 -2.882 1.00 0.00 N ATOM 1262 CA ASP A 75 4.626 11.316 -4.267 1.00 0.00 C ATOM 1263 C ASP A 75 6.010 11.926 -4.464 1.00 0.00 C ATOM 1264 O ASP A 75 6.610 11.795 -5.531 1.00 0.00 O ATOM 1265 CB ASP A 75 3.549 12.324 -4.673 1.00 0.00 C ATOM 1266 CG ASP A 75 2.207 11.665 -4.920 1.00 0.00 C ATOM 1267 OD1 ASP A 75 1.932 10.625 -4.286 1.00 0.00 O ATOM 1268 OD2 ASP A 75 1.430 12.189 -5.746 1.00 0.00 O ATOM 0 H ASP A 75 3.809 11.505 -2.349 1.00 0.00 H new ATOM 0 HA ASP A 75 4.537 10.432 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.444 13.075 -3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.866 12.847 -5.575 1.00 0.00 H new ATOM 1273 N GLN A 76 6.515 12.592 -3.426 1.00 0.00 N ATOM 1274 CA GLN A 76 7.830 13.218 -3.489 1.00 0.00 C ATOM 1275 C GLN A 76 8.927 12.166 -3.624 1.00 0.00 C ATOM 1276 O GLN A 76 9.977 12.423 -4.215 1.00 0.00 O ATOM 1277 CB GLN A 76 8.071 14.072 -2.241 1.00 0.00 C ATOM 1278 CG GLN A 76 7.939 15.565 -2.494 1.00 0.00 C ATOM 1279 CD GLN A 76 9.158 16.343 -2.038 1.00 0.00 C ATOM 1280 OE1 GLN A 76 9.931 15.876 -1.202 1.00 0.00 O ATOM 1281 NE2 GLN A 76 9.336 17.538 -2.590 1.00 0.00 N ATOM 0 H GLN A 76 6.033 12.710 -2.535 1.00 0.00 H new ATOM 0 HA GLN A 76 7.859 13.860 -4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.362 13.778 -1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.069 13.864 -1.855 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.780 15.737 -3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.057 15.941 -1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.670 17.886 -3.279 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.139 18.108 -2.324 1.00 0.00 H new ATOM 1290 N LEU A 77 8.679 10.982 -3.073 1.00 0.00 N ATOM 1291 CA LEU A 77 9.648 9.894 -3.132 1.00 0.00 C ATOM 1292 C LEU A 77 9.390 8.997 -4.336 1.00 0.00 C ATOM 1293 O LEU A 77 10.317 8.625 -5.056 1.00 0.00 O ATOM 1294 CB LEU A 77 9.597 9.068 -1.846 1.00 0.00 C ATOM 1295 CG LEU A 77 9.750 9.874 -0.553 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.063 9.162 0.602 1.00 0.00 C ATOM 1297 CD2 LEU A 77 11.221 10.104 -0.241 1.00 0.00 C ATOM 0 H LEU A 77 7.816 10.752 -2.581 1.00 0.00 H new ATOM 0 HA LEU A 77 10.641 10.332 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.648 8.533 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.385 8.316 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 77 9.272 10.844 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.182 9.748 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.002 9.048 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.512 8.179 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.312 10.678 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.722 9.143 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.685 10.655 -1.059 1.00 0.00 H new ATOM 1309 N THR A 78 8.128 8.650 -4.546 1.00 0.00 N ATOM 1310 CA THR A 78 7.743 7.794 -5.662 1.00 0.00 C ATOM 1311 C THR A 78 7.733 8.577 -6.975 1.00 0.00 C ATOM 1312 O THR A 78 6.895 9.458 -7.169 1.00 0.00 O ATOM 1313 CB THR A 78 6.365 7.181 -5.410 1.00 0.00 C ATOM 1314 OG1 THR A 78 5.369 8.187 -5.374 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.282 6.406 -4.112 1.00 0.00 C ATOM 0 H THR A 78 7.351 8.948 -3.957 1.00 0.00 H new ATOM 0 HA THR A 78 8.480 6.995 -5.744 1.00 0.00 H new ATOM 0 HB THR A 78 6.200 6.490 -6.237 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.224 8.471 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.278 5.998 -3.995 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.005 5.591 -4.128 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.503 7.071 -3.277 1.00 0.00 H new