USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 804 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 43 ASN : amide:sc= 0.727 K(o=1.9,f=-1.9) USER MOD Set 1.2: A 76 ASN : amide:sc= 1.13 K(o=1.9,f=-0.26) USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 55 CYS SG : rot 91:sc= 0.825 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -72:sc= 0.58 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.511 K(o=-0.51,f=-7.8!) USER MOD Single : A 29 SER OG : rot 85:sc= 0.0576 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0489 USER MOD Single : A 37 GLN : amide:sc= 1.12 K(o=1.1,f=-0.018) USER MOD Single : A 41 GLN : amide:sc= 1.17 K(o=1.2,f=-0.054) USER MOD Single : A 42 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -76:sc= 1.18 USER MOD Single : A 50 MET CE :methyl 172:sc= -0.115 (180deg=-0.214) USER MOD Single : A 51 THR OG1 : rot 100:sc= 1.09 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 83:sc= 0.173 USER MOD Single : A 70 LYS NZ :NH3+ 155:sc= 1.23 (180deg=1.06) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.42) USER MOD Single : A 83 THR OG1 : rot 80:sc= 0.473 USER MOD Single : A 89 THR OG1 : rot 35:sc= 1.23 USER MOD Single : A 93 MET CE :methyl -155:sc= -0.118 (180deg=-2.25) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N LYS A 5 17.427 0.395 -10.239 1.00 0.00 N ATOM 52 CA LYS A 5 16.993 0.899 -8.953 1.00 0.00 C ATOM 53 C LYS A 5 15.568 1.420 -9.019 1.00 0.00 C ATOM 54 O LYS A 5 14.965 1.457 -10.090 1.00 0.00 O ATOM 55 CB LYS A 5 18.048 1.863 -8.375 1.00 0.00 C ATOM 56 CG LYS A 5 17.680 3.343 -8.451 1.00 0.00 C ATOM 57 CD LYS A 5 18.652 4.245 -7.732 1.00 0.00 C ATOM 58 CE LYS A 5 18.073 5.661 -7.674 1.00 0.00 C ATOM 59 NZ LYS A 5 18.494 6.317 -6.423 1.00 0.00 N ATOM 0 HA LYS A 5 16.933 0.089 -8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.225 1.601 -7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 5 18.988 1.710 -8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.626 3.642 -9.498 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.685 3.484 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.836 3.872 -6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 5 19.611 4.252 -8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.414 6.240 -8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.985 5.622 -7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 18.100 7.279 -6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.148 5.769 -5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 19.532 6.367 -6.390 1.00 0.00 H new ATOM 73 N VAL A 6 15.038 1.766 -7.849 1.00 0.00 N ATOM 74 CA VAL A 6 13.632 2.018 -7.581 1.00 0.00 C ATOM 75 C VAL A 6 13.403 3.359 -6.849 1.00 0.00 C ATOM 76 O VAL A 6 14.272 3.808 -6.094 1.00 0.00 O ATOM 77 CB VAL A 6 13.126 0.799 -6.791 1.00 0.00 C ATOM 78 CG1 VAL A 6 11.632 0.949 -6.498 1.00 0.00 C ATOM 79 CG2 VAL A 6 13.397 -0.496 -7.556 1.00 0.00 C ATOM 0 H VAL A 6 15.615 1.884 -7.016 1.00 0.00 H new ATOM 0 HA VAL A 6 13.067 2.131 -8.506 1.00 0.00 H new ATOM 0 HB VAL A 6 13.666 0.749 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.282 0.082 -5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.465 1.852 -5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.083 1.021 -7.437 1.00 0.00 H new ATOM 0 HG21 VAL A 6 13.030 -1.344 -6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.885 -0.464 -8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.469 -0.605 -7.719 1.00 0.00 H new ATOM 89 N THR A 7 12.217 3.967 -7.030 1.00 0.00 N ATOM 90 CA THR A 7 11.770 5.217 -6.408 1.00 0.00 C ATOM 91 C THR A 7 10.381 5.078 -5.784 1.00 0.00 C ATOM 92 O THR A 7 9.644 4.122 -6.011 1.00 0.00 O ATOM 93 CB THR A 7 11.755 6.367 -7.437 1.00 0.00 C ATOM 94 OG1 THR A 7 10.582 6.366 -8.231 1.00 0.00 O ATOM 95 CG2 THR A 7 12.944 6.361 -8.373 1.00 0.00 C ATOM 0 H THR A 7 11.508 3.574 -7.650 1.00 0.00 H new ATOM 0 HA THR A 7 12.482 5.447 -5.615 1.00 0.00 H new ATOM 0 HB THR A 7 11.794 7.266 -6.823 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.612 5.614 -8.858 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.865 7.197 -9.067 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.863 6.455 -7.794 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.962 5.426 -8.932 1.00 0.00 H new ATOM 103 N LYS A 8 10.011 6.099 -5.015 1.00 0.00 N ATOM 104 CA LYS A 8 8.772 6.206 -4.250 1.00 0.00 C ATOM 105 C LYS A 8 7.573 6.285 -5.179 1.00 0.00 C ATOM 106 O LYS A 8 6.512 5.739 -4.889 1.00 0.00 O ATOM 107 CB LYS A 8 8.858 7.379 -3.237 1.00 0.00 C ATOM 108 CG LYS A 8 10.163 8.224 -3.238 1.00 0.00 C ATOM 109 CD LYS A 8 10.436 8.972 -1.930 1.00 0.00 C ATOM 110 CE LYS A 8 9.744 10.326 -1.777 1.00 0.00 C ATOM 111 NZ LYS A 8 10.601 11.449 -2.215 1.00 0.00 N ATOM 0 H LYS A 8 10.603 6.922 -4.903 1.00 0.00 H new ATOM 0 HA LYS A 8 8.631 5.303 -3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.020 8.051 -3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.720 6.971 -2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.006 7.566 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.112 8.947 -4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.132 8.335 -1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.512 9.123 -1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.822 10.328 -2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.463 10.472 -0.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.088 12.345 -2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.470 11.466 -1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.848 11.326 -3.218 1.00 0.00 H new ATOM 125 N GLU A 9 7.774 6.901 -6.334 1.00 0.00 N ATOM 126 CA GLU A 9 6.738 7.045 -7.337 1.00 0.00 C ATOM 127 C GLU A 9 6.417 5.694 -7.981 1.00 0.00 C ATOM 128 O GLU A 9 5.247 5.405 -8.244 1.00 0.00 O ATOM 129 CB GLU A 9 7.219 8.079 -8.355 1.00 0.00 C ATOM 130 CG GLU A 9 6.083 8.673 -9.200 1.00 0.00 C ATOM 131 CD GLU A 9 6.025 10.199 -9.083 1.00 0.00 C ATOM 132 OE1 GLU A 9 4.910 10.716 -8.824 1.00 0.00 O ATOM 133 OE2 GLU A 9 7.077 10.874 -9.122 1.00 0.00 O ATOM 0 H GLU A 9 8.667 7.316 -6.600 1.00 0.00 H new ATOM 0 HA GLU A 9 5.807 7.392 -6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.731 8.885 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.950 7.614 -9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.222 8.394 -10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.132 8.248 -8.881 1.00 0.00 H new ATOM 141 N ASP A 10 7.438 4.857 -8.202 1.00 0.00 N ATOM 142 CA ASP A 10 7.298 3.557 -8.853 1.00 0.00 C ATOM 143 C ASP A 10 6.550 2.621 -7.916 1.00 0.00 C ATOM 144 O ASP A 10 5.710 1.845 -8.358 1.00 0.00 O ATOM 145 CB ASP A 10 8.657 2.928 -9.186 1.00 0.00 C ATOM 146 CG ASP A 10 9.348 3.533 -10.401 1.00 0.00 C ATOM 147 OD1 ASP A 10 8.888 3.302 -11.538 1.00 0.00 O ATOM 148 OD2 ASP A 10 10.391 4.197 -10.221 1.00 0.00 O ATOM 0 H ASP A 10 8.397 5.071 -7.928 1.00 0.00 H new ATOM 0 HA ASP A 10 6.756 3.707 -9.787 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.313 3.030 -8.321 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.518 1.860 -9.356 1.00 0.00 H new ATOM 154 N VAL A 11 6.842 2.683 -6.616 1.00 0.00 N ATOM 155 CA VAL A 11 6.172 1.852 -5.606 1.00 0.00 C ATOM 156 C VAL A 11 4.661 2.114 -5.645 1.00 0.00 C ATOM 157 O VAL A 11 3.871 1.168 -5.617 1.00 0.00 O ATOM 158 CB VAL A 11 6.788 2.157 -4.219 1.00 0.00 C ATOM 159 CG1 VAL A 11 6.035 1.506 -3.047 1.00 0.00 C ATOM 160 CG2 VAL A 11 8.251 1.699 -4.142 1.00 0.00 C ATOM 0 H VAL A 11 7.549 3.309 -6.230 1.00 0.00 H new ATOM 0 HA VAL A 11 6.321 0.792 -5.814 1.00 0.00 H new ATOM 0 HB VAL A 11 6.711 3.240 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.527 1.766 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.007 1.867 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.037 0.423 -3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.653 1.928 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.305 0.624 -4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.835 2.219 -4.901 1.00 0.00 H new ATOM 170 N LEU A 12 4.245 3.381 -5.762 1.00 0.00 N ATOM 171 CA LEU A 12 2.838 3.743 -5.786 1.00 0.00 C ATOM 172 C LEU A 12 2.224 3.174 -7.054 1.00 0.00 C ATOM 173 O LEU A 12 1.111 2.659 -7.044 1.00 0.00 O ATOM 174 CB LEU A 12 2.722 5.275 -5.762 1.00 0.00 C ATOM 175 CG LEU A 12 3.032 5.855 -4.373 1.00 0.00 C ATOM 176 CD1 LEU A 12 3.542 7.291 -4.503 1.00 0.00 C ATOM 177 CD2 LEU A 12 1.795 5.824 -3.465 1.00 0.00 C ATOM 0 H LEU A 12 4.879 4.176 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 12 2.311 3.340 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.407 5.702 -6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.715 5.567 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 12 3.804 5.235 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.758 7.691 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.451 7.301 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.781 7.905 -4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.048 6.241 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.998 6.414 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.459 4.794 -3.343 1.00 0.00 H new ATOM 189 N ASN A 13 2.934 3.286 -8.169 1.00 0.00 N ATOM 190 CA ASN A 13 2.470 2.814 -9.464 1.00 0.00 C ATOM 191 C ASN A 13 2.299 1.304 -9.484 1.00 0.00 C ATOM 192 O ASN A 13 1.406 0.791 -10.164 1.00 0.00 O ATOM 193 CB ASN A 13 3.578 3.157 -10.478 1.00 0.00 C ATOM 194 CG ASN A 13 3.051 3.717 -11.770 1.00 0.00 C ATOM 195 OD1 ASN A 13 3.251 3.136 -12.830 1.00 0.00 O ATOM 196 ND2 ASN A 13 2.473 4.898 -11.697 1.00 0.00 N ATOM 0 H ASN A 13 3.860 3.713 -8.198 1.00 0.00 H new ATOM 0 HA ASN A 13 1.510 3.277 -9.691 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.261 3.879 -10.029 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.158 2.259 -10.689 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.169 5.371 -12.548 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.329 5.340 -10.789 1.00 0.00 H new ATOM 203 N ALA A 14 3.175 0.595 -8.769 1.00 0.00 N ATOM 204 CA ALA A 14 3.228 -0.842 -8.757 1.00 0.00 C ATOM 205 C ALA A 14 2.053 -1.358 -7.942 1.00 0.00 C ATOM 206 O ALA A 14 1.321 -2.221 -8.415 1.00 0.00 O ATOM 207 CB ALA A 14 4.558 -1.317 -8.175 1.00 0.00 C ATOM 0 H ALA A 14 3.879 1.029 -8.172 1.00 0.00 H new ATOM 0 HA ALA A 14 3.160 -1.232 -9.773 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.585 -2.407 -8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.378 -0.935 -8.783 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.661 -0.948 -7.154 1.00 0.00 H new ATOM 213 N LEU A 15 1.831 -0.791 -6.752 1.00 0.00 N ATOM 214 CA LEU A 15 0.804 -1.274 -5.836 1.00 0.00 C ATOM 215 C LEU A 15 -0.612 -1.213 -6.415 1.00 0.00 C ATOM 216 O LEU A 15 -1.472 -1.963 -5.959 1.00 0.00 O ATOM 217 CB LEU A 15 0.851 -0.501 -4.512 1.00 0.00 C ATOM 218 CG LEU A 15 1.967 -0.964 -3.559 1.00 0.00 C ATOM 219 CD1 LEU A 15 2.230 0.112 -2.500 1.00 0.00 C ATOM 220 CD2 LEU A 15 1.550 -2.278 -2.880 1.00 0.00 C ATOM 0 H LEU A 15 2.357 0.010 -6.402 1.00 0.00 H new ATOM 0 HA LEU A 15 1.032 -2.326 -5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.986 0.559 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.110 -0.604 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 15 2.882 -1.128 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.021 -0.223 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.536 1.037 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.320 0.289 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.341 -2.606 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.632 -2.120 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.381 -3.042 -3.639 1.00 0.00 H new ATOM 232 N LYS A 16 -0.847 -0.411 -7.463 1.00 0.00 N ATOM 233 CA LYS A 16 -2.137 -0.234 -8.142 1.00 0.00 C ATOM 234 C LYS A 16 -2.802 -1.532 -8.646 1.00 0.00 C ATOM 235 O LYS A 16 -3.924 -1.455 -9.149 1.00 0.00 O ATOM 236 CB LYS A 16 -1.980 0.763 -9.303 1.00 0.00 C ATOM 237 CG LYS A 16 -1.943 2.232 -8.848 1.00 0.00 C ATOM 238 CD LYS A 16 -1.990 3.193 -10.048 1.00 0.00 C ATOM 239 CE LYS A 16 -2.591 4.551 -9.648 1.00 0.00 C ATOM 240 NZ LYS A 16 -3.256 5.229 -10.781 1.00 0.00 N ATOM 0 H LYS A 16 -0.109 0.157 -7.879 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.814 0.152 -7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.062 0.536 -9.846 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.805 0.628 -10.002 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.787 2.431 -8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.036 2.413 -8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.984 3.339 -10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.583 2.751 -10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.311 4.404 -8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.802 5.193 -9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.645 6.139 -10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.565 5.395 -11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.027 4.630 -11.140 1.00 0.00 H new ATOM 254 N ASN A 17 -2.125 -2.681 -8.549 1.00 0.00 N ATOM 255 CA ASN A 17 -2.511 -3.992 -9.073 1.00 0.00 C ATOM 256 C ASN A 17 -2.924 -4.986 -7.984 1.00 0.00 C ATOM 257 O ASN A 17 -3.468 -6.051 -8.292 1.00 0.00 O ATOM 258 CB ASN A 17 -1.351 -4.579 -9.899 1.00 0.00 C ATOM 259 CG ASN A 17 -0.067 -4.897 -9.150 1.00 0.00 C ATOM 260 OD1 ASN A 17 -0.075 -5.262 -7.984 1.00 0.00 O ATOM 261 ND2 ASN A 17 1.073 -4.808 -9.808 1.00 0.00 N ATOM 0 H ASN A 17 -1.227 -2.720 -8.066 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.389 -3.834 -9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.702 -5.495 -10.375 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.113 -3.876 -10.697 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.950 -5.044 -9.343 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.078 -4.503 -10.781 1.00 0.00 H new ATOM 268 N VAL A 18 -2.642 -4.686 -6.720 1.00 0.00 N ATOM 269 CA VAL A 18 -3.053 -5.486 -5.578 1.00 0.00 C ATOM 270 C VAL A 18 -4.400 -4.941 -5.155 1.00 0.00 C ATOM 271 O VAL A 18 -4.473 -3.911 -4.500 1.00 0.00 O ATOM 272 CB VAL A 18 -1.956 -5.453 -4.490 1.00 0.00 C ATOM 273 CG1 VAL A 18 -2.472 -5.694 -3.064 1.00 0.00 C ATOM 274 CG2 VAL A 18 -0.991 -6.594 -4.809 1.00 0.00 C ATOM 0 H VAL A 18 -2.107 -3.858 -6.458 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.170 -6.546 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.510 -4.458 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.638 -5.654 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.200 -4.925 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.945 -6.674 -3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.193 -6.614 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.529 -7.542 -4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.561 -6.441 -5.799 1.00 0.00 H new ATOM 284 N ILE A 19 -5.474 -5.600 -5.569 1.00 0.00 N ATOM 285 CA ILE A 19 -6.789 -5.270 -5.061 1.00 0.00 C ATOM 286 C ILE A 19 -6.900 -5.939 -3.700 1.00 0.00 C ATOM 287 O ILE A 19 -6.558 -7.115 -3.534 1.00 0.00 O ATOM 288 CB ILE A 19 -7.865 -5.726 -6.051 1.00 0.00 C ATOM 289 CG1 ILE A 19 -7.660 -5.072 -7.436 1.00 0.00 C ATOM 290 CG2 ILE A 19 -9.277 -5.446 -5.532 1.00 0.00 C ATOM 291 CD1 ILE A 19 -7.583 -3.544 -7.468 1.00 0.00 C ATOM 0 H ILE A 19 -5.457 -6.359 -6.250 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.937 -4.196 -4.947 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.760 -6.806 -6.158 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.741 -5.468 -7.867 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.478 -5.386 -8.085 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.008 -5.785 -6.266 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.432 -5.978 -4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.398 -4.375 -5.367 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.438 -3.208 -8.495 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.510 -3.125 -7.077 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.746 -3.209 -6.855 1.00 0.00 H new ATOM 303 N ASP A 20 -7.360 -5.159 -2.734 1.00 0.00 N ATOM 304 CA ASP A 20 -7.770 -5.617 -1.420 1.00 0.00 C ATOM 305 C ASP A 20 -9.044 -6.433 -1.618 1.00 0.00 C ATOM 306 O ASP A 20 -10.019 -5.910 -2.157 1.00 0.00 O ATOM 307 CB ASP A 20 -8.036 -4.385 -0.561 1.00 0.00 C ATOM 308 CG ASP A 20 -8.356 -4.761 0.866 1.00 0.00 C ATOM 309 OD1 ASP A 20 -7.476 -4.553 1.723 1.00 0.00 O ATOM 310 OD2 ASP A 20 -9.498 -5.202 1.114 1.00 0.00 O ATOM 0 H ASP A 20 -7.461 -4.151 -2.851 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.014 -6.229 -0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.163 -3.733 -0.579 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.866 -3.818 -0.983 1.00 0.00 H new ATOM 316 N PHE A 21 -9.030 -7.732 -1.316 1.00 0.00 N ATOM 317 CA PHE A 21 -10.124 -8.610 -1.733 1.00 0.00 C ATOM 318 C PHE A 21 -11.438 -8.267 -1.020 1.00 0.00 C ATOM 319 O PHE A 21 -12.520 -8.507 -1.563 1.00 0.00 O ATOM 320 CB PHE A 21 -9.750 -10.080 -1.507 1.00 0.00 C ATOM 321 CG PHE A 21 -10.138 -10.981 -2.662 1.00 0.00 C ATOM 322 CD1 PHE A 21 -9.357 -10.999 -3.834 1.00 0.00 C ATOM 323 CD2 PHE A 21 -11.274 -11.809 -2.569 1.00 0.00 C ATOM 324 CE1 PHE A 21 -9.686 -11.871 -4.888 1.00 0.00 C ATOM 325 CE2 PHE A 21 -11.612 -12.665 -3.631 1.00 0.00 C ATOM 326 CZ PHE A 21 -10.813 -12.704 -4.785 1.00 0.00 C ATOM 0 H PHE A 21 -8.286 -8.194 -0.793 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.284 -8.450 -2.799 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -8.675 -10.153 -1.343 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.236 -10.436 -0.598 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.504 -10.342 -3.924 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -11.886 -11.786 -1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.072 -11.900 -5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -12.487 -13.294 -3.559 1.00 0.00 H new ATOM 0 HZ PHE A 21 -11.065 -13.374 -5.594 1.00 0.00 H new ATOM 336 N GLU A 22 -11.361 -7.717 0.186 1.00 0.00 N ATOM 337 CA GLU A 22 -12.482 -7.250 0.962 1.00 0.00 C ATOM 338 C GLU A 22 -13.034 -5.970 0.316 1.00 0.00 C ATOM 339 O GLU A 22 -14.195 -5.955 -0.109 1.00 0.00 O ATOM 340 CB GLU A 22 -11.996 -7.127 2.417 1.00 0.00 C ATOM 341 CG GLU A 22 -12.979 -6.515 3.417 1.00 0.00 C ATOM 342 CD GLU A 22 -14.268 -7.320 3.592 1.00 0.00 C ATOM 343 OE1 GLU A 22 -15.301 -6.958 2.980 1.00 0.00 O ATOM 344 OE2 GLU A 22 -14.272 -8.316 4.351 1.00 0.00 O ATOM 0 H GLU A 22 -10.470 -7.582 0.663 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.332 -7.932 0.978 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.725 -8.122 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.086 -6.527 2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.486 -6.422 4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.234 -5.507 3.090 1.00 0.00 H new ATOM 352 N LEU A 23 -12.218 -4.917 0.200 1.00 0.00 N ATOM 353 CA LEU A 23 -12.664 -3.589 -0.235 1.00 0.00 C ATOM 354 C LEU A 23 -12.876 -3.456 -1.742 1.00 0.00 C ATOM 355 O LEU A 23 -13.619 -2.582 -2.192 1.00 0.00 O ATOM 356 CB LEU A 23 -11.635 -2.533 0.203 1.00 0.00 C ATOM 357 CG LEU A 23 -12.027 -1.749 1.458 1.00 0.00 C ATOM 358 CD1 LEU A 23 -13.266 -0.868 1.235 1.00 0.00 C ATOM 359 CD2 LEU A 23 -12.184 -2.683 2.655 1.00 0.00 C ATOM 0 H LEU A 23 -11.220 -4.963 0.407 1.00 0.00 H new ATOM 0 HA LEU A 23 -13.635 -3.436 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.680 -3.027 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.482 -1.831 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.212 -1.062 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.502 -0.333 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.064 -0.151 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.112 -1.495 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.463 -2.103 3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.961 -3.418 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.241 -3.196 2.842 1.00 0.00 H new ATOM 371 N GLY A 24 -12.196 -4.266 -2.541 1.00 0.00 N ATOM 372 CA GLY A 24 -12.378 -4.387 -3.977 1.00 0.00 C ATOM 373 C GLY A 24 -11.718 -3.308 -4.829 1.00 0.00 C ATOM 374 O GLY A 24 -11.917 -3.324 -6.044 1.00 0.00 O ATOM 0 H GLY A 24 -11.468 -4.886 -2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.992 -5.357 -4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.447 -4.386 -4.189 1.00 0.00 H new ATOM 378 N LEU A 25 -10.907 -2.416 -4.244 1.00 0.00 N ATOM 379 CA LEU A 25 -9.957 -1.571 -4.974 1.00 0.00 C ATOM 380 C LEU A 25 -8.576 -1.703 -4.315 1.00 0.00 C ATOM 381 O LEU A 25 -8.429 -2.409 -3.316 1.00 0.00 O ATOM 382 CB LEU A 25 -10.421 -0.102 -5.070 1.00 0.00 C ATOM 383 CG LEU A 25 -11.478 0.268 -6.134 1.00 0.00 C ATOM 384 CD1 LEU A 25 -11.092 -0.205 -7.539 1.00 0.00 C ATOM 385 CD2 LEU A 25 -12.917 -0.167 -5.830 1.00 0.00 C ATOM 0 H LEU A 25 -10.894 -2.260 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.898 -1.916 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.816 0.185 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.539 0.513 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.475 1.357 -6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.870 0.082 -8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.148 0.256 -7.832 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.982 -1.289 -7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.571 0.145 -6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.956 -1.252 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.248 0.296 -4.900 1.00 0.00 H new ATOM 397 N ASP A 26 -7.549 -1.095 -4.912 1.00 0.00 N ATOM 398 CA ASP A 26 -6.156 -1.192 -4.464 1.00 0.00 C ATOM 399 C ASP A 26 -5.858 -0.208 -3.304 1.00 0.00 C ATOM 400 O ASP A 26 -6.632 0.720 -3.052 1.00 0.00 O ATOM 401 CB ASP A 26 -5.183 -0.967 -5.644 1.00 0.00 C ATOM 402 CG ASP A 26 -4.644 0.457 -5.693 1.00 0.00 C ATOM 403 OD1 ASP A 26 -5.360 1.348 -6.202 1.00 0.00 O ATOM 404 OD2 ASP A 26 -3.504 0.677 -5.242 1.00 0.00 O ATOM 0 H ASP A 26 -7.664 -0.508 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.003 -2.201 -4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.350 -1.665 -5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.695 -1.191 -6.580 1.00 0.00 H new ATOM 410 N VAL A 27 -4.713 -0.336 -2.622 1.00 0.00 N ATOM 411 CA VAL A 27 -4.297 0.535 -1.530 1.00 0.00 C ATOM 412 C VAL A 27 -4.187 2.018 -1.902 1.00 0.00 C ATOM 413 O VAL A 27 -4.501 2.887 -1.082 1.00 0.00 O ATOM 414 CB VAL A 27 -2.951 0.063 -0.957 1.00 0.00 C ATOM 415 CG1 VAL A 27 -3.023 -1.362 -0.384 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.749 0.209 -1.905 1.00 0.00 C ATOM 0 H VAL A 27 -4.035 -1.071 -2.825 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.091 0.460 -0.787 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.764 0.759 -0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.046 -1.646 0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.759 -1.395 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.314 -2.057 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.848 -0.151 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.924 -0.376 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.622 1.258 -2.172 1.00 0.00 H new ATOM 426 N VAL A 28 -3.655 2.347 -3.079 1.00 0.00 N ATOM 427 CA VAL A 28 -3.466 3.720 -3.538 1.00 0.00 C ATOM 428 C VAL A 28 -4.857 4.329 -3.681 1.00 0.00 C ATOM 429 O VAL A 28 -5.088 5.451 -3.229 1.00 0.00 O ATOM 430 CB VAL A 28 -2.713 3.737 -4.882 1.00 0.00 C ATOM 431 CG1 VAL A 28 -2.565 5.161 -5.447 1.00 0.00 C ATOM 432 CG2 VAL A 28 -1.313 3.129 -4.720 1.00 0.00 C ATOM 0 H VAL A 28 -3.337 1.651 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.867 4.295 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.306 3.146 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.028 5.122 -6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.553 5.593 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.009 5.777 -4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.795 3.149 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.747 3.708 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.401 2.098 -4.377 1.00 0.00 H new ATOM 442 N SER A 29 -5.788 3.573 -4.266 1.00 0.00 N ATOM 443 CA SER A 29 -7.202 3.961 -4.297 1.00 0.00 C ATOM 444 C SER A 29 -7.751 4.211 -2.887 1.00 0.00 C ATOM 445 O SER A 29 -8.353 5.256 -2.648 1.00 0.00 O ATOM 446 CB SER A 29 -8.051 2.948 -5.060 1.00 0.00 C ATOM 447 OG SER A 29 -7.920 3.130 -6.462 1.00 0.00 O ATOM 0 H SER A 29 -5.588 2.685 -4.727 1.00 0.00 H new ATOM 0 HA SER A 29 -7.263 4.904 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.747 1.937 -4.791 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.097 3.054 -4.772 1.00 0.00 H new ATOM 0 HG SER A 29 -7.133 2.642 -6.783 1.00 0.00 H new ATOM 453 N LEU A 30 -7.489 3.315 -1.927 1.00 0.00 N ATOM 454 CA LEU A 30 -7.835 3.544 -0.525 1.00 0.00 C ATOM 455 C LEU A 30 -7.130 4.762 0.093 1.00 0.00 C ATOM 456 O LEU A 30 -7.491 5.169 1.192 1.00 0.00 O ATOM 457 CB LEU A 30 -7.544 2.298 0.323 1.00 0.00 C ATOM 458 CG LEU A 30 -8.746 1.366 0.537 1.00 0.00 C ATOM 459 CD1 LEU A 30 -8.742 0.201 -0.455 1.00 0.00 C ATOM 460 CD2 LEU A 30 -8.730 0.865 1.980 1.00 0.00 C ATOM 0 H LEU A 30 -7.035 2.419 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.904 3.757 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.744 1.731 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.173 2.618 1.297 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.665 1.923 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.607 -0.436 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.786 0.589 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.830 -0.382 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.579 0.202 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.804 0.321 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.796 1.714 2.661 1.00 0.00 H new ATOM 472 N GLY A 31 -6.120 5.354 -0.543 1.00 0.00 N ATOM 473 CA GLY A 31 -5.372 6.448 0.055 1.00 0.00 C ATOM 474 C GLY A 31 -4.643 6.002 1.326 1.00 0.00 C ATOM 475 O GLY A 31 -4.465 6.792 2.256 1.00 0.00 O ATOM 0 H GLY A 31 -5.803 5.090 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.649 6.832 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.051 7.267 0.292 1.00 0.00 H new ATOM 479 N LEU A 32 -4.227 4.731 1.386 1.00 0.00 N ATOM 480 CA LEU A 32 -3.231 4.244 2.344 1.00 0.00 C ATOM 481 C LEU A 32 -1.871 4.888 1.987 1.00 0.00 C ATOM 482 O LEU A 32 -1.834 5.935 1.334 1.00 0.00 O ATOM 483 CB LEU A 32 -3.193 2.695 2.387 1.00 0.00 C ATOM 484 CG LEU A 32 -4.557 1.981 2.450 1.00 0.00 C ATOM 485 CD1 LEU A 32 -4.424 0.466 2.270 1.00 0.00 C ATOM 486 CD2 LEU A 32 -5.335 2.277 3.731 1.00 0.00 C ATOM 0 H LEU A 32 -4.578 4.004 0.762 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.496 4.541 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.662 2.341 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.607 2.391 3.254 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.126 2.389 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.411 0.005 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.974 0.253 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.792 0.060 3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.285 1.744 3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.754 1.951 4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.522 3.348 3.804 1.00 0.00 H new ATOM 498 N VAL A 33 -0.752 4.268 2.367 1.00 0.00 N ATOM 499 CA VAL A 33 0.576 4.839 2.547 1.00 0.00 C ATOM 500 C VAL A 33 0.517 5.985 3.577 1.00 0.00 C ATOM 501 O VAL A 33 -0.353 6.856 3.536 1.00 0.00 O ATOM 502 CB VAL A 33 1.171 5.306 1.193 1.00 0.00 C ATOM 503 CG1 VAL A 33 2.550 5.956 1.374 1.00 0.00 C ATOM 504 CG2 VAL A 33 1.294 4.217 0.113 1.00 0.00 C ATOM 0 H VAL A 33 -0.757 3.269 2.573 1.00 0.00 H new ATOM 0 HA VAL A 33 1.244 4.070 2.935 1.00 0.00 H new ATOM 0 HB VAL A 33 0.437 6.029 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.934 6.270 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.460 6.824 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.236 5.236 1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.721 4.649 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.942 3.418 0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.307 3.811 -0.109 1.00 0.00 H new ATOM 514 N TYR A 34 1.486 6.016 4.485 1.00 0.00 N ATOM 515 CA TYR A 34 1.818 7.161 5.320 1.00 0.00 C ATOM 516 C TYR A 34 3.200 7.691 4.947 1.00 0.00 C ATOM 517 O TYR A 34 3.399 8.909 4.977 1.00 0.00 O ATOM 518 CB TYR A 34 1.770 6.777 6.801 1.00 0.00 C ATOM 519 CG TYR A 34 0.396 6.490 7.369 1.00 0.00 C ATOM 520 CD1 TYR A 34 -0.694 7.338 7.096 1.00 0.00 C ATOM 521 CD2 TYR A 34 0.229 5.388 8.227 1.00 0.00 C ATOM 522 CE1 TYR A 34 -1.954 7.072 7.654 1.00 0.00 C ATOM 523 CE2 TYR A 34 -1.024 5.135 8.810 1.00 0.00 C ATOM 524 CZ TYR A 34 -2.122 5.972 8.518 1.00 0.00 C ATOM 525 OH TYR A 34 -3.341 5.730 9.061 1.00 0.00 O ATOM 0 H TYR A 34 2.085 5.211 4.666 1.00 0.00 H new ATOM 0 HA TYR A 34 1.082 7.947 5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.393 5.895 6.947 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.219 7.584 7.380 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.560 8.197 6.455 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.064 4.736 8.438 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.794 7.710 7.421 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.147 4.299 9.482 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.292 4.936 9.633 1.00 0.00 H new ATOM 535 N ASP A 35 4.142 6.819 4.562 1.00 0.00 N ATOM 536 CA ASP A 35 5.480 7.201 4.102 1.00 0.00 C ATOM 537 C ASP A 35 5.998 6.182 3.098 1.00 0.00 C ATOM 538 O ASP A 35 5.648 5.009 3.226 1.00 0.00 O ATOM 539 CB ASP A 35 6.457 7.201 5.284 1.00 0.00 C ATOM 540 CG ASP A 35 7.631 8.130 5.013 1.00 0.00 C ATOM 541 OD1 ASP A 35 7.395 9.348 4.867 1.00 0.00 O ATOM 542 OD2 ASP A 35 8.800 7.691 5.042 1.00 0.00 O ATOM 0 H ASP A 35 3.990 5.810 4.562 1.00 0.00 H new ATOM 0 HA ASP A 35 5.411 8.191 3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.939 7.516 6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.821 6.189 5.461 1.00 0.00 H new ATOM 548 N ILE A 36 6.870 6.573 2.167 1.00 0.00 N ATOM 549 CA ILE A 36 7.704 5.664 1.376 1.00 0.00 C ATOM 550 C ILE A 36 9.096 6.292 1.332 1.00 0.00 C ATOM 551 O ILE A 36 9.214 7.489 1.054 1.00 0.00 O ATOM 552 CB ILE A 36 7.172 5.471 -0.070 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.706 5.013 -0.159 1.00 0.00 C ATOM 554 CG2 ILE A 36 8.073 4.484 -0.832 1.00 0.00 C ATOM 555 CD1 ILE A 36 5.086 5.354 -1.515 1.00 0.00 C ATOM 0 H ILE A 36 7.020 7.555 1.936 1.00 0.00 H new ATOM 0 HA ILE A 36 7.705 4.675 1.834 1.00 0.00 H new ATOM 0 HB ILE A 36 7.202 6.459 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.651 3.937 0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.128 5.487 0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.694 4.353 -1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.089 4.876 -0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.075 3.522 -0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.051 5.014 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.117 6.433 -1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.648 4.859 -2.307 1.00 0.00 H new ATOM 567 N GLN A 37 10.123 5.468 1.527 1.00 0.00 N ATOM 568 CA GLN A 37 11.536 5.786 1.423 1.00 0.00 C ATOM 569 C GLN A 37 12.261 4.561 0.849 1.00 0.00 C ATOM 570 O GLN A 37 12.008 3.436 1.279 1.00 0.00 O ATOM 571 CB GLN A 37 12.082 6.193 2.805 1.00 0.00 C ATOM 572 CG GLN A 37 11.850 5.178 3.936 1.00 0.00 C ATOM 573 CD GLN A 37 12.091 5.754 5.337 1.00 0.00 C ATOM 574 OE1 GLN A 37 13.038 5.391 6.031 1.00 0.00 O ATOM 575 NE2 GLN A 37 11.222 6.619 5.832 1.00 0.00 N ATOM 0 H GLN A 37 9.973 4.491 1.780 1.00 0.00 H new ATOM 0 HA GLN A 37 11.700 6.632 0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 37 13.154 6.370 2.714 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.625 7.140 3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.827 4.807 3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.508 4.322 3.786 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.432 6.928 5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.342 6.977 6.780 1.00 0.00 H new ATOM 584 N ILE A 38 13.131 4.759 -0.140 1.00 0.00 N ATOM 585 CA ILE A 38 13.895 3.705 -0.801 1.00 0.00 C ATOM 586 C ILE A 38 15.340 4.168 -0.865 1.00 0.00 C ATOM 587 O ILE A 38 15.644 5.199 -1.466 1.00 0.00 O ATOM 588 CB ILE A 38 13.391 3.414 -2.225 1.00 0.00 C ATOM 589 CG1 ILE A 38 11.874 3.244 -2.330 1.00 0.00 C ATOM 590 CG2 ILE A 38 14.080 2.175 -2.799 1.00 0.00 C ATOM 591 CD1 ILE A 38 11.199 4.578 -2.544 1.00 0.00 C ATOM 0 H ILE A 38 13.329 5.687 -0.514 1.00 0.00 H new ATOM 0 HA ILE A 38 13.784 2.781 -0.233 1.00 0.00 H new ATOM 0 HB ILE A 38 13.649 4.299 -2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.635 2.574 -3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.492 2.779 -1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.709 1.987 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 38 15.157 2.341 -2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.865 1.314 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.121 4.433 -2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.421 5.237 -1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.567 5.028 -3.466 1.00 0.00 H new ATOM 603 N ASP A 39 16.217 3.393 -0.247 1.00 0.00 N ATOM 604 CA ASP A 39 17.632 3.707 -0.222 1.00 0.00 C ATOM 605 C ASP A 39 18.342 3.362 -1.552 1.00 0.00 C ATOM 606 O ASP A 39 17.725 2.865 -2.496 1.00 0.00 O ATOM 607 CB ASP A 39 18.262 3.019 0.995 1.00 0.00 C ATOM 608 CG ASP A 39 19.671 3.552 1.165 1.00 0.00 C ATOM 609 OD1 ASP A 39 19.841 4.796 1.240 1.00 0.00 O ATOM 610 OD2 ASP A 39 20.622 2.794 0.882 1.00 0.00 O ATOM 0 H ASP A 39 15.968 2.536 0.247 1.00 0.00 H new ATOM 0 HA ASP A 39 17.761 4.785 -0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 39 17.671 3.214 1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.279 1.938 0.854 1.00 0.00 H new ATOM 616 N ASP A 40 19.650 3.613 -1.632 1.00 0.00 N ATOM 617 CA ASP A 40 20.608 3.119 -2.622 1.00 0.00 C ATOM 618 C ASP A 40 20.750 1.590 -2.597 1.00 0.00 C ATOM 619 O ASP A 40 21.146 0.986 -3.595 1.00 0.00 O ATOM 620 CB ASP A 40 21.973 3.760 -2.322 1.00 0.00 C ATOM 621 CG ASP A 40 23.017 3.409 -3.383 1.00 0.00 C ATOM 622 OD1 ASP A 40 23.866 2.520 -3.146 1.00 0.00 O ATOM 623 OD2 ASP A 40 22.953 3.982 -4.494 1.00 0.00 O ATOM 0 H ASP A 40 20.104 4.218 -0.948 1.00 0.00 H new ATOM 0 HA ASP A 40 20.244 3.388 -3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 40 21.861 4.843 -2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 40 22.323 3.427 -1.345 1.00 0.00 H new ATOM 629 N GLN A 41 20.377 0.938 -1.491 1.00 0.00 N ATOM 630 CA GLN A 41 20.258 -0.519 -1.412 1.00 0.00 C ATOM 631 C GLN A 41 18.887 -1.003 -1.899 1.00 0.00 C ATOM 632 O GLN A 41 18.632 -2.203 -1.894 1.00 0.00 O ATOM 633 CB GLN A 41 20.579 -0.995 0.010 1.00 0.00 C ATOM 634 CG GLN A 41 22.078 -0.830 0.325 1.00 0.00 C ATOM 635 CD GLN A 41 22.313 -0.434 1.769 1.00 0.00 C ATOM 636 OE1 GLN A 41 22.819 -1.196 2.588 1.00 0.00 O ATOM 637 NE2 GLN A 41 21.948 0.772 2.146 1.00 0.00 N ATOM 0 H GLN A 41 20.147 1.413 -0.618 1.00 0.00 H new ATOM 0 HA GLN A 41 20.989 -0.966 -2.085 1.00 0.00 H new ATOM 0 HB2 GLN A 41 19.989 -0.427 0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 41 20.294 -2.041 0.120 1.00 0.00 H new ATOM 0 HG2 GLN A 41 22.598 -1.765 0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 41 22.506 -0.074 -0.333 1.00 0.00 H new ATOM 0 HE21 GLN A 41 21.527 1.411 1.472 1.00 0.00 H new ATOM 0 HE22 GLN A 41 22.086 1.068 3.112 1.00 0.00 H new ATOM 646 N ASN A 42 18.005 -0.091 -2.330 1.00 0.00 N ATOM 647 CA ASN A 42 16.675 -0.314 -2.906 1.00 0.00 C ATOM 648 C ASN A 42 15.744 -1.044 -1.944 1.00 0.00 C ATOM 649 O ASN A 42 14.815 -1.743 -2.357 1.00 0.00 O ATOM 650 CB ASN A 42 16.742 -1.065 -4.231 1.00 0.00 C ATOM 651 CG ASN A 42 17.636 -0.436 -5.272 1.00 0.00 C ATOM 652 OD1 ASN A 42 18.195 0.650 -5.114 1.00 0.00 O ATOM 653 ND2 ASN A 42 17.740 -1.128 -6.383 1.00 0.00 N ATOM 0 H ASN A 42 18.223 0.904 -2.280 1.00 0.00 H new ATOM 0 HA ASN A 42 16.263 0.678 -3.093 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.090 -2.080 -4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.734 -1.145 -4.638 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.300 -0.770 -7.156 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.260 -2.024 -6.473 1.00 0.00 H new ATOM 660 N ASN A 43 16.031 -0.916 -0.655 1.00 0.00 N ATOM 661 CA ASN A 43 15.245 -1.469 0.425 1.00 0.00 C ATOM 662 C ASN A 43 14.000 -0.615 0.488 1.00 0.00 C ATOM 663 O ASN A 43 14.056 0.480 1.058 1.00 0.00 O ATOM 664 CB ASN A 43 16.062 -1.418 1.721 1.00 0.00 C ATOM 665 CG ASN A 43 17.309 -2.282 1.602 1.00 0.00 C ATOM 666 OD1 ASN A 43 17.325 -3.237 0.836 1.00 0.00 O ATOM 667 ND2 ASN A 43 18.388 -1.940 2.275 1.00 0.00 N ATOM 0 H ASN A 43 16.850 -0.404 -0.327 1.00 0.00 H new ATOM 0 HA ASN A 43 14.976 -2.515 0.276 1.00 0.00 H new ATOM 0 HB2 ASN A 43 16.346 -0.388 1.938 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.452 -1.763 2.556 1.00 0.00 H new ATOM 0 HD21 ASN A 43 19.250 -2.473 2.161 1.00 0.00 H new ATOM 0 HD22 ASN A 43 18.361 -1.142 2.910 1.00 0.00 H new ATOM 674 N VAL A 44 12.926 -1.035 -0.182 1.00 0.00 N ATOM 675 CA VAL A 44 11.732 -0.214 -0.232 1.00 0.00 C ATOM 676 C VAL A 44 11.122 -0.288 1.151 1.00 0.00 C ATOM 677 O VAL A 44 10.803 -1.384 1.626 1.00 0.00 O ATOM 678 CB VAL A 44 10.812 -0.747 -1.334 1.00 0.00 C ATOM 679 CG1 VAL A 44 9.381 -0.200 -1.265 1.00 0.00 C ATOM 680 CG2 VAL A 44 11.416 -0.383 -2.688 1.00 0.00 C ATOM 0 H VAL A 44 12.864 -1.920 -0.685 1.00 0.00 H new ATOM 0 HA VAL A 44 11.927 0.829 -0.480 1.00 0.00 H new ATOM 0 HB VAL A 44 10.740 -1.826 -1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.790 -0.623 -2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.933 -0.473 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.402 0.886 -1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.773 -0.755 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.503 0.701 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.404 -0.834 -2.779 1.00 0.00 H new ATOM 690 N LYS A 45 10.959 0.855 1.819 1.00 0.00 N ATOM 691 CA LYS A 45 10.442 0.891 3.154 1.00 0.00 C ATOM 692 C LYS A 45 9.272 1.841 3.138 1.00 0.00 C ATOM 693 O LYS A 45 9.368 2.962 2.642 1.00 0.00 O ATOM 694 CB LYS A 45 11.595 1.295 4.057 1.00 0.00 C ATOM 695 CG LYS A 45 11.159 1.388 5.512 1.00 0.00 C ATOM 696 CD LYS A 45 12.308 1.926 6.371 1.00 0.00 C ATOM 697 CE LYS A 45 11.703 2.473 7.661 1.00 0.00 C ATOM 698 NZ LYS A 45 12.070 1.672 8.849 1.00 0.00 N ATOM 0 H LYS A 45 11.187 1.772 1.435 1.00 0.00 H new ATOM 0 HA LYS A 45 10.067 -0.059 3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.403 0.569 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.992 2.257 3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.292 2.043 5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.854 0.405 5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.025 1.135 6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.849 2.709 5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.034 3.501 7.805 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.617 2.498 7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.633 2.087 9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.731 0.696 8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.104 1.668 8.959 1.00 0.00 H new ATOM 712 N VAL A 46 8.139 1.339 3.598 1.00 0.00 N ATOM 713 CA VAL A 46 6.853 1.979 3.466 1.00 0.00 C ATOM 714 C VAL A 46 6.234 1.911 4.844 1.00 0.00 C ATOM 715 O VAL A 46 6.116 0.820 5.404 1.00 0.00 O ATOM 716 CB VAL A 46 6.005 1.262 2.392 1.00 0.00 C ATOM 717 CG1 VAL A 46 4.674 1.995 2.182 1.00 0.00 C ATOM 718 CG2 VAL A 46 6.727 1.185 1.037 1.00 0.00 C ATOM 0 H VAL A 46 8.094 0.446 4.088 1.00 0.00 H new ATOM 0 HA VAL A 46 6.926 3.014 3.132 1.00 0.00 H new ATOM 0 HB VAL A 46 5.834 0.250 2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.089 1.477 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.117 2.013 3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.869 3.017 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.091 0.673 0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.941 2.193 0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.661 0.635 1.153 1.00 0.00 H new ATOM 728 N LEU A 47 5.851 3.058 5.398 1.00 0.00 N ATOM 729 CA LEU A 47 4.847 3.062 6.439 1.00 0.00 C ATOM 730 C LEU A 47 3.540 2.936 5.679 1.00 0.00 C ATOM 731 O LEU A 47 3.126 3.881 5.005 1.00 0.00 O ATOM 732 CB LEU A 47 4.903 4.339 7.288 1.00 0.00 C ATOM 733 CG LEU A 47 5.610 4.131 8.630 1.00 0.00 C ATOM 734 CD1 LEU A 47 7.131 4.038 8.462 1.00 0.00 C ATOM 735 CD2 LEU A 47 5.245 5.262 9.596 1.00 0.00 C ATOM 0 H LEU A 47 6.216 3.976 5.145 1.00 0.00 H new ATOM 0 HA LEU A 47 4.988 2.256 7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.419 5.119 6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.888 4.694 7.469 1.00 0.00 H new ATOM 0 HG LEU A 47 5.269 3.182 9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.596 3.891 9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.375 3.197 7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.505 4.960 8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.753 5.106 10.548 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.555 6.217 9.172 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.167 5.270 9.757 1.00 0.00 H new ATOM 747 N MET A 48 2.928 1.763 5.720 1.00 0.00 N ATOM 748 CA MET A 48 1.604 1.487 5.192 1.00 0.00 C ATOM 749 C MET A 48 0.672 1.296 6.390 1.00 0.00 C ATOM 750 O MET A 48 1.097 1.281 7.546 1.00 0.00 O ATOM 751 CB MET A 48 1.698 0.286 4.230 1.00 0.00 C ATOM 752 CG MET A 48 0.344 -0.201 3.705 1.00 0.00 C ATOM 753 SD MET A 48 0.385 -1.355 2.312 1.00 0.00 S ATOM 754 CE MET A 48 -1.069 -2.333 2.769 1.00 0.00 C ATOM 0 H MET A 48 3.361 0.941 6.141 1.00 0.00 H new ATOM 0 HA MET A 48 1.190 2.300 4.596 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.327 0.561 3.383 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.195 -0.538 4.742 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.189 -0.678 4.527 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.240 0.670 3.409 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.228 -3.117 2.028 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.910 -2.786 3.748 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.946 -1.686 2.806 1.00 0.00 H new ATOM 764 N THR A 49 -0.621 1.181 6.132 1.00 0.00 N ATOM 765 CA THR A 49 -1.600 0.688 7.074 1.00 0.00 C ATOM 766 C THR A 49 -2.627 -0.089 6.253 1.00 0.00 C ATOM 767 O THR A 49 -2.721 0.114 5.039 1.00 0.00 O ATOM 768 CB THR A 49 -2.196 1.879 7.850 1.00 0.00 C ATOM 769 OG1 THR A 49 -3.151 1.424 8.788 1.00 0.00 O ATOM 770 CG2 THR A 49 -2.857 2.936 6.953 1.00 0.00 C ATOM 0 H THR A 49 -1.026 1.438 5.232 1.00 0.00 H new ATOM 0 HA THR A 49 -1.180 0.023 7.828 1.00 0.00 H new ATOM 0 HB THR A 49 -1.352 2.356 8.348 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.981 1.189 8.322 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.253 3.742 7.571 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.118 3.339 6.260 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.670 2.478 6.390 1.00 0.00 H new ATOM 778 N MET A 50 -3.437 -0.911 6.916 1.00 0.00 N ATOM 779 CA MET A 50 -4.738 -1.297 6.376 1.00 0.00 C ATOM 780 C MET A 50 -5.745 -0.207 6.761 1.00 0.00 C ATOM 781 O MET A 50 -5.466 0.603 7.659 1.00 0.00 O ATOM 782 CB MET A 50 -5.165 -2.670 6.931 1.00 0.00 C ATOM 783 CG MET A 50 -4.758 -3.842 6.033 1.00 0.00 C ATOM 784 SD MET A 50 -3.003 -3.946 5.601 1.00 0.00 S ATOM 785 CE MET A 50 -3.107 -5.229 4.332 1.00 0.00 C ATOM 0 H MET A 50 -3.217 -1.321 7.824 1.00 0.00 H new ATOM 0 HA MET A 50 -4.690 -1.390 5.291 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.724 -2.808 7.918 1.00 0.00 H new ATOM 0 HB3 MET A 50 -6.247 -2.680 7.061 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.044 -4.769 6.529 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.335 -3.783 5.110 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.140 -5.334 3.841 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.385 -6.176 4.794 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.860 -4.951 3.594 1.00 0.00 H new ATOM 795 N THR A 51 -6.936 -0.222 6.158 1.00 0.00 N ATOM 796 CA THR A 51 -8.105 0.465 6.717 1.00 0.00 C ATOM 797 C THR A 51 -8.309 -0.023 8.153 1.00 0.00 C ATOM 798 O THR A 51 -8.363 0.789 9.079 1.00 0.00 O ATOM 799 CB THR A 51 -9.344 0.296 5.797 1.00 0.00 C ATOM 800 OG1 THR A 51 -10.542 0.833 6.308 1.00 0.00 O ATOM 801 CG2 THR A 51 -9.644 -1.131 5.337 1.00 0.00 C ATOM 0 H THR A 51 -7.118 -0.705 5.278 1.00 0.00 H new ATOM 0 HA THR A 51 -7.944 1.542 6.760 1.00 0.00 H new ATOM 0 HB THR A 51 -9.017 0.879 4.936 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.709 1.708 5.899 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.529 -1.130 4.701 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.794 -1.519 4.775 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.823 -1.763 6.206 1.00 0.00 H new ATOM 809 N THR A 52 -8.376 -1.342 8.371 1.00 0.00 N ATOM 810 CA THR A 52 -8.841 -1.880 9.639 1.00 0.00 C ATOM 811 C THR A 52 -8.004 -3.085 10.078 1.00 0.00 C ATOM 812 O THR A 52 -7.458 -3.815 9.246 1.00 0.00 O ATOM 813 CB THR A 52 -10.342 -2.198 9.528 1.00 0.00 C ATOM 814 OG1 THR A 52 -10.600 -3.161 8.528 1.00 0.00 O ATOM 815 CG2 THR A 52 -11.159 -0.957 9.186 1.00 0.00 C ATOM 0 H THR A 52 -8.113 -2.048 7.683 1.00 0.00 H new ATOM 0 HA THR A 52 -8.710 -1.136 10.424 1.00 0.00 H new ATOM 0 HB THR A 52 -10.634 -2.583 10.505 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.563 -3.340 8.487 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.214 -1.223 9.117 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.025 -0.207 9.965 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.823 -0.552 8.231 1.00 0.00 H new ATOM 823 N PRO A 53 -7.856 -3.307 11.393 1.00 0.00 N ATOM 824 CA PRO A 53 -7.213 -4.506 11.909 1.00 0.00 C ATOM 825 C PRO A 53 -8.141 -5.725 11.814 1.00 0.00 C ATOM 826 O PRO A 53 -7.678 -6.841 11.590 1.00 0.00 O ATOM 827 CB PRO A 53 -6.794 -4.153 13.338 1.00 0.00 C ATOM 828 CG PRO A 53 -7.744 -3.031 13.751 1.00 0.00 C ATOM 829 CD PRO A 53 -8.128 -2.347 12.451 1.00 0.00 C ATOM 0 HA PRO A 53 -6.341 -4.800 11.325 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.884 -5.013 14.002 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -5.755 -3.827 13.377 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.621 -3.425 14.264 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.260 -2.335 14.436 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.180 -2.062 12.457 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.551 -1.434 12.306 1.00 0.00 H new ATOM 837 N MET A 54 -9.457 -5.502 11.889 1.00 0.00 N ATOM 838 CA MET A 54 -10.521 -6.506 11.887 1.00 0.00 C ATOM 839 C MET A 54 -10.738 -7.230 10.542 1.00 0.00 C ATOM 840 O MET A 54 -11.814 -7.799 10.317 1.00 0.00 O ATOM 841 CB MET A 54 -11.813 -5.823 12.366 1.00 0.00 C ATOM 842 CG MET A 54 -12.313 -4.740 11.400 1.00 0.00 C ATOM 843 SD MET A 54 -14.108 -4.741 11.159 1.00 0.00 S ATOM 844 CE MET A 54 -14.146 -4.916 9.360 1.00 0.00 C ATOM 0 H MET A 54 -9.829 -4.555 11.957 1.00 0.00 H new ATOM 0 HA MET A 54 -10.215 -7.305 12.562 1.00 0.00 H new ATOM 0 HB2 MET A 54 -12.590 -6.577 12.492 1.00 0.00 H new ATOM 0 HB3 MET A 54 -11.640 -5.377 13.345 1.00 0.00 H new ATOM 0 HG2 MET A 54 -12.008 -3.763 11.776 1.00 0.00 H new ATOM 0 HG3 MET A 54 -11.827 -4.876 10.434 1.00 0.00 H new ATOM 0 HE1 MET A 54 -15.181 -4.936 9.018 1.00 0.00 H new ATOM 0 HE2 MET A 54 -13.629 -4.073 8.901 1.00 0.00 H new ATOM 0 HE3 MET A 54 -13.651 -5.844 9.074 1.00 0.00 H new ATOM 854 N CYS A 55 -9.764 -7.183 9.634 1.00 0.00 N ATOM 855 CA CYS A 55 -9.834 -7.766 8.301 1.00 0.00 C ATOM 856 C CYS A 55 -10.125 -9.279 8.342 1.00 0.00 C ATOM 857 O CYS A 55 -9.862 -9.943 9.355 1.00 0.00 O ATOM 858 CB CYS A 55 -8.518 -7.440 7.586 1.00 0.00 C ATOM 859 SG CYS A 55 -8.618 -5.742 6.978 1.00 0.00 S ATOM 0 H CYS A 55 -8.873 -6.720 9.816 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.669 -7.337 7.748 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.676 -7.551 8.269 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.352 -8.131 6.760 1.00 0.00 H new ATOM 0 HG CYS A 55 -8.154 -4.930 7.881 1.00 0.00 H new ATOM 865 N PRO A 56 -10.643 -9.848 7.240 1.00 0.00 N ATOM 866 CA PRO A 56 -11.127 -11.224 7.196 1.00 0.00 C ATOM 867 C PRO A 56 -9.948 -12.195 7.120 1.00 0.00 C ATOM 868 O PRO A 56 -9.854 -13.152 7.894 1.00 0.00 O ATOM 869 CB PRO A 56 -12.010 -11.290 5.945 1.00 0.00 C ATOM 870 CG PRO A 56 -11.402 -10.245 5.009 1.00 0.00 C ATOM 871 CD PRO A 56 -10.800 -9.199 5.942 1.00 0.00 C ATOM 0 HA PRO A 56 -11.688 -11.506 8.087 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.995 -12.284 5.498 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.050 -11.061 6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.642 -10.685 4.363 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.159 -9.807 4.358 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.840 -8.848 5.564 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.450 -8.327 6.019 1.00 0.00 H new ATOM 879 N LEU A 57 -9.020 -11.925 6.206 1.00 0.00 N ATOM 880 CA LEU A 57 -7.816 -12.689 5.939 1.00 0.00 C ATOM 881 C LEU A 57 -6.664 -11.701 5.794 1.00 0.00 C ATOM 882 O LEU A 57 -6.036 -11.600 4.743 1.00 0.00 O ATOM 883 CB LEU A 57 -8.005 -13.646 4.744 1.00 0.00 C ATOM 884 CG LEU A 57 -8.824 -13.176 3.520 1.00 0.00 C ATOM 885 CD1 LEU A 57 -8.282 -11.953 2.776 1.00 0.00 C ATOM 886 CD2 LEU A 57 -8.906 -14.324 2.518 1.00 0.00 C ATOM 0 H LEU A 57 -9.099 -11.112 5.595 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.579 -13.358 6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.013 -13.924 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.474 -14.554 5.123 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.789 -12.877 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.938 -11.717 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.241 -11.102 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.280 -12.168 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.481 -14.007 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.901 -14.606 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.394 -15.180 2.984 1.00 0.00 H new ATOM 898 N ALA A 58 -6.399 -10.944 6.865 1.00 0.00 N ATOM 899 CA ALA A 58 -5.390 -9.895 6.868 1.00 0.00 C ATOM 900 C ALA A 58 -4.055 -10.441 6.357 1.00 0.00 C ATOM 901 O ALA A 58 -3.406 -9.778 5.559 1.00 0.00 O ATOM 902 CB ALA A 58 -5.198 -9.328 8.279 1.00 0.00 C ATOM 0 H ALA A 58 -6.885 -11.048 7.756 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.733 -9.097 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.439 -8.546 8.257 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.140 -8.910 8.634 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.878 -10.125 8.951 1.00 0.00 H new ATOM 908 N GLY A 59 -3.671 -11.654 6.773 1.00 0.00 N ATOM 909 CA GLY A 59 -2.435 -12.295 6.348 1.00 0.00 C ATOM 910 C GLY A 59 -2.301 -12.354 4.831 1.00 0.00 C ATOM 911 O GLY A 59 -1.247 -12.019 4.297 1.00 0.00 O ATOM 0 H GLY A 59 -4.220 -12.218 7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.586 -11.752 6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.396 -13.306 6.753 1.00 0.00 H new ATOM 915 N MET A 60 -3.367 -12.756 4.145 1.00 0.00 N ATOM 916 CA MET A 60 -3.408 -12.838 2.692 1.00 0.00 C ATOM 917 C MET A 60 -3.287 -11.449 2.066 1.00 0.00 C ATOM 918 O MET A 60 -2.537 -11.295 1.103 1.00 0.00 O ATOM 919 CB MET A 60 -4.707 -13.521 2.254 1.00 0.00 C ATOM 920 CG MET A 60 -4.531 -14.990 1.876 1.00 0.00 C ATOM 921 SD MET A 60 -4.090 -16.154 3.188 1.00 0.00 S ATOM 922 CE MET A 60 -4.274 -17.647 2.176 1.00 0.00 C ATOM 0 H MET A 60 -4.239 -13.038 4.592 1.00 0.00 H new ATOM 0 HA MET A 60 -2.561 -13.431 2.346 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.436 -13.448 3.061 1.00 0.00 H new ATOM 0 HB3 MET A 60 -5.121 -12.983 1.401 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.462 -15.333 1.424 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.762 -15.047 1.106 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.049 -18.526 2.780 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.298 -17.713 1.807 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.586 -17.601 1.331 1.00 0.00 H new ATOM 932 N ILE A 61 -3.999 -10.435 2.575 1.00 0.00 N ATOM 933 CA ILE A 61 -3.874 -9.077 2.027 1.00 0.00 C ATOM 934 C ILE A 61 -2.424 -8.585 2.190 1.00 0.00 C ATOM 935 O ILE A 61 -1.833 -8.077 1.239 1.00 0.00 O ATOM 936 CB ILE A 61 -4.881 -8.072 2.638 1.00 0.00 C ATOM 937 CG1 ILE A 61 -6.320 -8.629 2.740 1.00 0.00 C ATOM 938 CG2 ILE A 61 -4.867 -6.792 1.782 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.372 -7.583 3.149 1.00 0.00 C ATOM 0 H ILE A 61 -4.656 -10.525 3.350 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.124 -9.131 0.967 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.567 -7.866 3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.602 -9.055 1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.332 -9.443 3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.571 -6.070 2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.865 -6.364 1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.156 -7.035 0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.354 -8.054 3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.117 -7.174 4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.391 -6.779 2.413 1.00 0.00 H new ATOM 951 N LEU A 62 -1.844 -8.756 3.384 1.00 0.00 N ATOM 952 CA LEU A 62 -0.480 -8.340 3.704 1.00 0.00 C ATOM 953 C LEU A 62 0.507 -9.005 2.741 1.00 0.00 C ATOM 954 O LEU A 62 1.410 -8.337 2.232 1.00 0.00 O ATOM 955 CB LEU A 62 -0.139 -8.685 5.169 1.00 0.00 C ATOM 956 CG LEU A 62 -0.943 -7.888 6.221 1.00 0.00 C ATOM 957 CD1 LEU A 62 -0.872 -8.563 7.599 1.00 0.00 C ATOM 958 CD2 LEU A 62 -0.452 -6.455 6.374 1.00 0.00 C ATOM 0 H LEU A 62 -2.323 -9.197 4.169 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.402 -7.259 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.313 -9.749 5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.924 -8.508 5.332 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.970 -7.872 5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.446 -7.981 8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.286 -9.569 7.533 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.167 -8.619 7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.053 -5.943 7.126 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.592 -6.460 6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.544 -5.935 5.420 1.00 0.00 H new ATOM 970 N SER A 63 0.352 -10.305 2.490 1.00 0.00 N ATOM 971 CA SER A 63 1.156 -11.051 1.533 1.00 0.00 C ATOM 972 C SER A 63 1.024 -10.499 0.111 1.00 0.00 C ATOM 973 O SER A 63 2.042 -10.303 -0.549 1.00 0.00 O ATOM 974 CB SER A 63 0.749 -12.522 1.606 1.00 0.00 C ATOM 975 OG SER A 63 1.231 -13.073 2.812 1.00 0.00 O ATOM 0 H SER A 63 -0.351 -10.877 2.958 1.00 0.00 H new ATOM 0 HA SER A 63 2.209 -10.947 1.793 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.336 -12.615 1.557 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.155 -13.068 0.754 1.00 0.00 H new ATOM 0 HG SER A 63 0.606 -12.868 3.538 1.00 0.00 H new ATOM 981 N ASP A 64 -0.194 -10.212 -0.352 1.00 0.00 N ATOM 982 CA ASP A 64 -0.464 -9.688 -1.697 1.00 0.00 C ATOM 983 C ASP A 64 0.279 -8.369 -1.899 1.00 0.00 C ATOM 984 O ASP A 64 0.979 -8.200 -2.895 1.00 0.00 O ATOM 985 CB ASP A 64 -1.987 -9.484 -1.880 1.00 0.00 C ATOM 986 CG ASP A 64 -2.614 -10.135 -3.116 1.00 0.00 C ATOM 987 OD1 ASP A 64 -2.067 -11.124 -3.656 1.00 0.00 O ATOM 988 OD2 ASP A 64 -3.751 -9.742 -3.473 1.00 0.00 O ATOM 0 H ASP A 64 -1.038 -10.339 0.206 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.113 -10.403 -2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.493 -9.871 -0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.187 -8.413 -1.919 1.00 0.00 H new ATOM 994 N ALA A 65 0.172 -7.441 -0.939 1.00 0.00 N ATOM 995 CA ALA A 65 0.849 -6.148 -1.002 1.00 0.00 C ATOM 996 C ALA A 65 2.363 -6.332 -1.125 1.00 0.00 C ATOM 997 O ALA A 65 2.995 -5.744 -2.007 1.00 0.00 O ATOM 998 CB ALA A 65 0.478 -5.307 0.227 1.00 0.00 C ATOM 0 H ALA A 65 -0.389 -7.570 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 65 0.517 -5.614 -1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.985 -4.344 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.600 -5.149 0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.785 -5.831 1.132 1.00 0.00 H new ATOM 1004 N GLU A 66 2.939 -7.182 -0.272 1.00 0.00 N ATOM 1005 CA GLU A 66 4.345 -7.528 -0.279 1.00 0.00 C ATOM 1006 C GLU A 66 4.751 -8.098 -1.645 1.00 0.00 C ATOM 1007 O GLU A 66 5.834 -7.790 -2.145 1.00 0.00 O ATOM 1008 CB GLU A 66 4.571 -8.534 0.858 1.00 0.00 C ATOM 1009 CG GLU A 66 6.022 -8.554 1.326 1.00 0.00 C ATOM 1010 CD GLU A 66 6.290 -9.747 2.243 1.00 0.00 C ATOM 1011 OE1 GLU A 66 6.918 -10.717 1.751 1.00 0.00 O ATOM 1012 OE2 GLU A 66 5.828 -9.734 3.411 1.00 0.00 O ATOM 0 H GLU A 66 2.415 -7.659 0.462 1.00 0.00 H new ATOM 0 HA GLU A 66 4.969 -6.649 -0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.923 -8.283 1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.285 -9.531 0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.685 -8.600 0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.250 -7.628 1.854 1.00 0.00 H new ATOM 1020 N GLU A 67 3.889 -8.917 -2.258 1.00 0.00 N ATOM 1021 CA GLU A 67 4.123 -9.521 -3.559 1.00 0.00 C ATOM 1022 C GLU A 67 4.208 -8.468 -4.672 1.00 0.00 C ATOM 1023 O GLU A 67 5.109 -8.540 -5.511 1.00 0.00 O ATOM 1024 CB GLU A 67 3.114 -10.652 -3.843 1.00 0.00 C ATOM 1025 CG GLU A 67 3.363 -11.238 -5.241 1.00 0.00 C ATOM 1026 CD GLU A 67 3.106 -12.739 -5.385 1.00 0.00 C ATOM 1027 OE1 GLU A 67 2.304 -13.132 -6.267 1.00 0.00 O ATOM 1028 OE2 GLU A 67 3.768 -13.546 -4.697 1.00 0.00 O ATOM 0 H GLU A 67 2.992 -9.179 -1.848 1.00 0.00 H new ATOM 0 HA GLU A 67 5.104 -9.996 -3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.210 -11.434 -3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.096 -10.268 -3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.731 -10.709 -5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.397 -11.036 -5.521 1.00 0.00 H new ATOM 1036 N ALA A 68 3.347 -7.448 -4.667 1.00 0.00 N ATOM 1037 CA ALA A 68 3.395 -6.424 -5.713 1.00 0.00 C ATOM 1038 C ALA A 68 4.656 -5.584 -5.577 1.00 0.00 C ATOM 1039 O ALA A 68 5.134 -5.047 -6.572 1.00 0.00 O ATOM 1040 CB ALA A 68 2.168 -5.516 -5.716 1.00 0.00 C ATOM 0 H ALA A 68 2.621 -7.310 -3.964 1.00 0.00 H new ATOM 0 HA ALA A 68 3.404 -6.956 -6.665 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.263 -4.779 -6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.272 -6.115 -5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.091 -5.005 -4.756 1.00 0.00 H new ATOM 1046 N ILE A 69 5.182 -5.469 -4.358 1.00 0.00 N ATOM 1047 CA ILE A 69 6.372 -4.701 -4.046 1.00 0.00 C ATOM 1048 C ILE A 69 7.624 -5.491 -4.441 1.00 0.00 C ATOM 1049 O ILE A 69 8.533 -4.949 -5.073 1.00 0.00 O ATOM 1050 CB ILE A 69 6.307 -4.290 -2.559 1.00 0.00 C ATOM 1051 CG1 ILE A 69 5.184 -3.242 -2.390 1.00 0.00 C ATOM 1052 CG2 ILE A 69 7.647 -3.725 -2.090 1.00 0.00 C ATOM 1053 CD1 ILE A 69 4.964 -2.795 -0.942 1.00 0.00 C ATOM 0 H ILE A 69 4.775 -5.924 -3.541 1.00 0.00 H new ATOM 0 HA ILE A 69 6.426 -3.780 -4.626 1.00 0.00 H new ATOM 0 HB ILE A 69 6.092 -5.166 -1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.421 -2.369 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.253 -3.656 -2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.575 -3.443 -1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.423 -4.481 -2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.900 -2.847 -2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.160 -2.060 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.694 -3.657 -0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.881 -2.350 -0.555 1.00 0.00 H new ATOM 1065 N LYS A 70 7.719 -6.775 -4.087 1.00 0.00 N ATOM 1066 CA LYS A 70 8.941 -7.540 -4.343 1.00 0.00 C ATOM 1067 C LYS A 70 9.145 -7.851 -5.824 1.00 0.00 C ATOM 1068 O LYS A 70 10.287 -8.078 -6.212 1.00 0.00 O ATOM 1069 CB LYS A 70 8.972 -8.815 -3.485 1.00 0.00 C ATOM 1070 CG LYS A 70 7.927 -9.838 -3.937 1.00 0.00 C ATOM 1071 CD LYS A 70 7.767 -11.027 -2.990 1.00 0.00 C ATOM 1072 CE LYS A 70 7.250 -10.670 -1.591 1.00 0.00 C ATOM 1073 NZ LYS A 70 7.069 -11.883 -0.769 1.00 0.00 N ATOM 0 H LYS A 70 6.975 -7.301 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 70 9.781 -6.910 -4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.964 -9.263 -3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.796 -8.554 -2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.964 -9.337 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.200 -10.208 -4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.083 -11.745 -3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.731 -11.526 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.952 -9.996 -1.101 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.302 -10.138 -1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.137 -11.633 0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.134 -12.296 -0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.808 -12.576 -1.005 1.00 0.00 H new ATOM 1087 N LYS A 71 8.104 -7.830 -6.672 1.00 0.00 N ATOM 1088 CA LYS A 71 8.174 -8.282 -8.072 1.00 0.00 C ATOM 1089 C LYS A 71 8.799 -7.243 -9.008 1.00 0.00 C ATOM 1090 O LYS A 71 8.838 -7.435 -10.224 1.00 0.00 O ATOM 1091 CB LYS A 71 6.783 -8.732 -8.538 1.00 0.00 C ATOM 1092 CG LYS A 71 5.826 -7.540 -8.652 1.00 0.00 C ATOM 1093 CD LYS A 71 5.118 -7.486 -10.001 1.00 0.00 C ATOM 1094 CE LYS A 71 3.892 -8.408 -10.009 1.00 0.00 C ATOM 1095 NZ LYS A 71 3.071 -8.211 -11.220 1.00 0.00 N ATOM 0 H LYS A 71 7.179 -7.495 -6.402 1.00 0.00 H new ATOM 0 HA LYS A 71 8.849 -9.137 -8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.864 -9.231 -9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.379 -9.461 -7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.082 -7.598 -7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.383 -6.615 -8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.810 -6.462 -10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.808 -7.783 -10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.217 -9.447 -9.954 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.286 -8.217 -9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.251 -8.850 -11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.740 -7.226 -11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.642 -8.418 -12.064 1.00 0.00 H new ATOM 1109 N ILE A 72 9.203 -6.102 -8.460 1.00 0.00 N ATOM 1110 CA ILE A 72 9.474 -4.871 -9.186 1.00 0.00 C ATOM 1111 C ILE A 72 10.828 -4.893 -9.917 1.00 0.00 C ATOM 1112 O ILE A 72 11.147 -3.955 -10.647 1.00 0.00 O ATOM 1113 CB ILE A 72 9.250 -3.716 -8.181 1.00 0.00 C ATOM 1114 CG1 ILE A 72 7.745 -3.670 -7.810 1.00 0.00 C ATOM 1115 CG2 ILE A 72 9.743 -2.340 -8.656 1.00 0.00 C ATOM 1116 CD1 ILE A 72 7.318 -2.511 -6.889 1.00 0.00 C ATOM 0 H ILE A 72 9.356 -6.008 -7.456 1.00 0.00 H new ATOM 0 HA ILE A 72 8.791 -4.729 -10.024 1.00 0.00 H new ATOM 0 HB ILE A 72 9.864 -3.933 -7.307 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.165 -3.611 -8.731 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.480 -4.610 -7.326 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.543 -1.596 -7.885 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.815 -2.384 -8.848 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.221 -2.063 -9.572 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.247 -2.576 -6.695 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.862 -2.575 -5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.542 -1.560 -7.373 1.00 0.00 H new ATOM 1128 N GLU A 73 11.610 -5.965 -9.790 1.00 0.00 N ATOM 1129 CA GLU A 73 12.933 -6.103 -10.363 1.00 0.00 C ATOM 1130 C GLU A 73 13.848 -4.936 -9.977 1.00 0.00 C ATOM 1131 O GLU A 73 14.495 -4.316 -10.823 1.00 0.00 O ATOM 1132 CB GLU A 73 12.796 -6.367 -11.868 1.00 0.00 C ATOM 1133 CG GLU A 73 13.969 -7.222 -12.335 1.00 0.00 C ATOM 1134 CD GLU A 73 13.926 -7.480 -13.842 1.00 0.00 C ATOM 1135 OE1 GLU A 73 13.799 -8.653 -14.256 1.00 0.00 O ATOM 1136 OE2 GLU A 73 14.054 -6.523 -14.641 1.00 0.00 O ATOM 0 H GLU A 73 11.320 -6.789 -9.263 1.00 0.00 H new ATOM 0 HA GLU A 73 13.445 -6.968 -9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.854 -6.875 -12.076 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.777 -5.424 -12.415 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.905 -6.725 -12.079 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.958 -8.174 -11.804 1.00 0.00 H new ATOM 1144 N GLY A 74 13.932 -4.633 -8.680 1.00 0.00 N ATOM 1145 CA GLY A 74 14.783 -3.574 -8.163 1.00 0.00 C ATOM 1146 C GLY A 74 14.740 -3.550 -6.636 1.00 0.00 C ATOM 1147 O GLY A 74 15.765 -3.334 -5.999 1.00 0.00 O ATOM 0 H GLY A 74 13.404 -5.123 -7.958 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.808 -3.725 -8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.456 -2.612 -8.557 1.00 0.00 H new ATOM 1151 N VAL A 75 13.551 -3.780 -6.075 1.00 0.00 N ATOM 1152 CA VAL A 75 13.113 -3.840 -4.683 1.00 0.00 C ATOM 1153 C VAL A 75 13.749 -4.917 -3.838 1.00 0.00 C ATOM 1154 O VAL A 75 13.146 -5.955 -3.569 1.00 0.00 O ATOM 1155 CB VAL A 75 11.600 -3.781 -4.537 1.00 0.00 C ATOM 1156 CG1 VAL A 75 11.184 -3.670 -3.083 1.00 0.00 C ATOM 1157 CG2 VAL A 75 11.150 -2.565 -5.327 1.00 0.00 C ATOM 0 H VAL A 75 12.753 -3.955 -6.686 1.00 0.00 H new ATOM 0 HA VAL A 75 13.510 -2.921 -4.252 1.00 0.00 H new ATOM 0 HB VAL A 75 11.137 -4.694 -4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.097 -3.630 -3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.549 -4.537 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.607 -2.763 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.066 -2.468 -5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.620 -1.671 -4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.440 -2.682 -6.371 1.00 0.00 H new ATOM 1167 N ASN A 76 15.043 -4.742 -3.638 1.00 0.00 N ATOM 1168 CA ASN A 76 15.923 -5.694 -3.012 1.00 0.00 C ATOM 1169 C ASN A 76 15.299 -6.350 -1.778 1.00 0.00 C ATOM 1170 O ASN A 76 15.123 -7.571 -1.717 1.00 0.00 O ATOM 1171 CB ASN A 76 17.198 -4.960 -2.593 1.00 0.00 C ATOM 1172 CG ASN A 76 18.086 -5.850 -1.732 1.00 0.00 C ATOM 1173 OD1 ASN A 76 18.457 -6.947 -2.143 1.00 0.00 O ATOM 1174 ND2 ASN A 76 18.417 -5.408 -0.529 1.00 0.00 N ATOM 0 H ASN A 76 15.525 -3.890 -3.924 1.00 0.00 H new ATOM 0 HA ASN A 76 16.129 -6.487 -3.730 1.00 0.00 H new ATOM 0 HB2 ASN A 76 17.747 -4.643 -3.480 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.937 -4.058 -2.040 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.995 -5.983 0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.094 -4.493 -0.215 1.00 0.00 H new ATOM 1181 N ASN A 77 14.947 -5.500 -0.817 1.00 0.00 N ATOM 1182 CA ASN A 77 14.355 -5.849 0.469 1.00 0.00 C ATOM 1183 C ASN A 77 13.062 -5.065 0.667 1.00 0.00 C ATOM 1184 O ASN A 77 12.840 -4.061 -0.020 1.00 0.00 O ATOM 1185 CB ASN A 77 15.327 -5.443 1.564 1.00 0.00 C ATOM 1186 CG ASN A 77 14.975 -6.032 2.912 1.00 0.00 C ATOM 1187 OD1 ASN A 77 14.885 -7.243 3.048 1.00 0.00 O ATOM 1188 ND2 ASN A 77 14.788 -5.198 3.914 1.00 0.00 N ATOM 0 H ASN A 77 15.075 -4.493 -0.922 1.00 0.00 H new ATOM 0 HA ASN A 77 14.148 -6.919 0.502 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.332 -5.760 1.286 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.345 -4.356 1.642 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.560 -5.557 4.841 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.871 -4.193 3.763 1.00 0.00 H new ATOM 1195 N VAL A 78 12.224 -5.500 1.605 1.00 0.00 N ATOM 1196 CA VAL A 78 10.815 -5.149 1.639 1.00 0.00 C ATOM 1197 C VAL A 78 10.449 -4.877 3.092 1.00 0.00 C ATOM 1198 O VAL A 78 10.301 -5.807 3.881 1.00 0.00 O ATOM 1199 CB VAL A 78 10.002 -6.302 0.999 1.00 0.00 C ATOM 1200 CG1 VAL A 78 8.537 -5.901 0.807 1.00 0.00 C ATOM 1201 CG2 VAL A 78 10.605 -6.720 -0.349 1.00 0.00 C ATOM 0 H VAL A 78 12.512 -6.112 2.369 1.00 0.00 H new ATOM 0 HA VAL A 78 10.587 -4.252 1.064 1.00 0.00 H new ATOM 0 HB VAL A 78 10.047 -7.150 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.989 -6.729 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.096 -5.658 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.481 -5.030 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.015 -7.531 -0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.599 -5.869 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.631 -7.058 -0.200 1.00 0.00 H new ATOM 1211 N GLU A 79 10.357 -3.603 3.472 1.00 0.00 N ATOM 1212 CA GLU A 79 10.149 -3.184 4.845 1.00 0.00 C ATOM 1213 C GLU A 79 8.775 -2.526 4.898 1.00 0.00 C ATOM 1214 O GLU A 79 8.670 -1.300 4.828 1.00 0.00 O ATOM 1215 CB GLU A 79 11.285 -2.217 5.205 1.00 0.00 C ATOM 1216 CG GLU A 79 12.663 -2.878 5.313 1.00 0.00 C ATOM 1217 CD GLU A 79 13.033 -3.240 6.758 1.00 0.00 C ATOM 1218 OE1 GLU A 79 12.124 -3.443 7.606 1.00 0.00 O ATOM 1219 OE2 GLU A 79 14.243 -3.228 7.056 1.00 0.00 O ATOM 0 H GLU A 79 10.427 -2.824 2.817 1.00 0.00 H new ATOM 0 HA GLU A 79 10.168 -4.004 5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.330 -1.431 4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.050 -1.736 6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.678 -3.780 4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.418 -2.205 4.907 1.00 0.00 H new ATOM 1227 N VAL A 80 7.696 -3.308 4.873 1.00 0.00 N ATOM 1228 CA VAL A 80 6.348 -2.747 4.912 1.00 0.00 C ATOM 1229 C VAL A 80 5.955 -2.668 6.388 1.00 0.00 C ATOM 1230 O VAL A 80 5.549 -3.667 6.991 1.00 0.00 O ATOM 1231 CB VAL A 80 5.345 -3.555 4.056 1.00 0.00 C ATOM 1232 CG1 VAL A 80 4.050 -2.745 3.923 1.00 0.00 C ATOM 1233 CG2 VAL A 80 5.845 -3.859 2.638 1.00 0.00 C ATOM 0 H VAL A 80 7.729 -4.326 4.826 1.00 0.00 H new ATOM 0 HA VAL A 80 6.328 -1.753 4.465 1.00 0.00 H new ATOM 0 HB VAL A 80 5.200 -4.507 4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.332 -3.303 3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.631 -2.564 4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.265 -1.792 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.087 -4.428 2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.039 -2.924 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.765 -4.441 2.694 1.00 0.00 H new ATOM 1243 N GLU A 81 6.111 -1.499 6.997 1.00 0.00 N ATOM 1244 CA GLU A 81 5.739 -1.248 8.379 1.00 0.00 C ATOM 1245 C GLU A 81 4.229 -1.037 8.407 1.00 0.00 C ATOM 1246 O GLU A 81 3.681 -0.254 7.624 1.00 0.00 O ATOM 1247 CB GLU A 81 6.478 -0.013 8.895 1.00 0.00 C ATOM 1248 CG GLU A 81 6.358 0.216 10.405 1.00 0.00 C ATOM 1249 CD GLU A 81 7.281 -0.728 11.177 1.00 0.00 C ATOM 1250 OE1 GLU A 81 8.353 -0.271 11.645 1.00 0.00 O ATOM 1251 OE2 GLU A 81 6.960 -1.930 11.275 1.00 0.00 O ATOM 0 H GLU A 81 6.508 -0.683 6.532 1.00 0.00 H new ATOM 0 HA GLU A 81 6.010 -2.085 9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.533 -0.103 8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.096 0.866 8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.610 1.250 10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.326 0.059 10.719 1.00 0.00 H new ATOM 1259 N LEU A 82 3.555 -1.788 9.269 1.00 0.00 N ATOM 1260 CA LEU A 82 2.102 -1.872 9.304 1.00 0.00 C ATOM 1261 C LEU A 82 1.595 -1.039 10.470 1.00 0.00 C ATOM 1262 O LEU A 82 1.654 -1.440 11.641 1.00 0.00 O ATOM 1263 CB LEU A 82 1.630 -3.326 9.372 1.00 0.00 C ATOM 1264 CG LEU A 82 0.097 -3.424 9.325 1.00 0.00 C ATOM 1265 CD1 LEU A 82 -0.469 -3.039 7.954 1.00 0.00 C ATOM 1266 CD2 LEU A 82 -0.329 -4.850 9.665 1.00 0.00 C ATOM 0 H LEU A 82 4.011 -2.365 9.975 1.00 0.00 H new ATOM 0 HA LEU A 82 1.685 -1.468 8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.057 -3.887 8.541 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.997 -3.786 10.289 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.300 -2.719 10.055 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.556 -3.124 7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.190 -2.012 7.720 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.065 -3.707 7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.416 -4.923 9.632 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.103 -5.541 8.941 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.022 -5.106 10.665 1.00 0.00 H new ATOM 1278 N THR A 83 1.135 0.153 10.136 1.00 0.00 N ATOM 1279 CA THR A 83 1.079 1.267 11.048 1.00 0.00 C ATOM 1280 C THR A 83 -0.368 1.500 11.461 1.00 0.00 C ATOM 1281 O THR A 83 -1.097 2.301 10.877 1.00 0.00 O ATOM 1282 CB THR A 83 1.731 2.477 10.362 1.00 0.00 C ATOM 1283 OG1 THR A 83 2.895 2.137 9.627 1.00 0.00 O ATOM 1284 CG2 THR A 83 2.095 3.496 11.424 1.00 0.00 C ATOM 0 H THR A 83 0.784 0.372 9.203 1.00 0.00 H new ATOM 0 HA THR A 83 1.633 1.077 11.967 1.00 0.00 H new ATOM 0 HB THR A 83 1.010 2.879 9.650 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.636 1.752 8.764 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.560 4.362 10.953 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.194 3.809 11.952 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.793 3.050 12.132 1.00 0.00 H new ATOM 1292 N PHE A 84 -0.819 0.757 12.461 1.00 0.00 N ATOM 1293 CA PHE A 84 -2.202 0.826 12.905 1.00 0.00 C ATOM 1294 C PHE A 84 -2.438 1.998 13.870 1.00 0.00 C ATOM 1295 O PHE A 84 -3.585 2.370 14.127 1.00 0.00 O ATOM 1296 CB PHE A 84 -2.547 -0.515 13.569 1.00 0.00 C ATOM 1297 CG PHE A 84 -3.227 -1.489 12.635 1.00 0.00 C ATOM 1298 CD1 PHE A 84 -4.434 -1.144 11.994 1.00 0.00 C ATOM 1299 CD2 PHE A 84 -2.608 -2.717 12.343 1.00 0.00 C ATOM 1300 CE1 PHE A 84 -4.942 -1.963 10.975 1.00 0.00 C ATOM 1301 CE2 PHE A 84 -3.166 -3.571 11.381 1.00 0.00 C ATOM 1302 CZ PHE A 84 -4.310 -3.180 10.671 1.00 0.00 C ATOM 0 H PHE A 84 -0.243 0.096 12.982 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.852 1.005 12.048 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.633 -0.968 13.952 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.195 -0.332 14.426 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.966 -0.251 12.287 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.703 -3.002 12.859 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.819 -1.658 10.424 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.714 -4.532 11.187 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.705 -3.814 9.891 1.00 0.00 H new ATOM 1312 N ASP A 85 -1.351 2.568 14.391 1.00 0.00 N ATOM 1313 CA ASP A 85 -1.286 3.596 15.414 1.00 0.00 C ATOM 1314 C ASP A 85 -2.002 4.854 14.944 1.00 0.00 C ATOM 1315 O ASP A 85 -2.866 5.346 15.679 1.00 0.00 O ATOM 1316 CB ASP A 85 0.148 3.996 15.859 1.00 0.00 C ATOM 1317 CG ASP A 85 1.389 3.242 15.309 1.00 0.00 C ATOM 1318 OD1 ASP A 85 1.280 2.243 14.555 1.00 0.00 O ATOM 1319 OD2 ASP A 85 2.519 3.676 15.622 1.00 0.00 O ATOM 0 H ASP A 85 -0.419 2.295 14.078 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.772 3.148 16.281 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.278 5.050 15.612 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.180 3.917 16.946 1.00 0.00 H new ATOM 1325 N PRO A 86 -1.653 5.443 13.780 1.00 0.00 N ATOM 1326 CA PRO A 86 -2.358 6.603 13.309 1.00 0.00 C ATOM 1327 C PRO A 86 -3.818 6.246 12.995 1.00 0.00 C ATOM 1328 O PRO A 86 -4.158 5.084 12.761 1.00 0.00 O ATOM 1329 CB PRO A 86 -1.633 7.096 12.054 1.00 0.00 C ATOM 1330 CG PRO A 86 -0.254 6.460 12.157 1.00 0.00 C ATOM 1331 CD PRO A 86 -0.545 5.158 12.893 1.00 0.00 C ATOM 0 HA PRO A 86 -2.373 7.385 14.068 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.150 6.786 11.146 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.571 8.184 12.029 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.185 6.282 11.175 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.443 7.091 12.708 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.800 4.362 12.193 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.328 4.823 13.453 1.00 0.00 H new ATOM 1339 N PRO A 87 -4.701 7.238 12.964 1.00 0.00 N ATOM 1340 CA PRO A 87 -5.976 7.163 12.270 1.00 0.00 C ATOM 1341 C PRO A 87 -5.709 7.309 10.765 1.00 0.00 C ATOM 1342 O PRO A 87 -4.891 8.149 10.377 1.00 0.00 O ATOM 1343 CB PRO A 87 -6.771 8.332 12.857 1.00 0.00 C ATOM 1344 CG PRO A 87 -5.714 9.359 13.287 1.00 0.00 C ATOM 1345 CD PRO A 87 -4.411 8.569 13.439 1.00 0.00 C ATOM 0 HA PRO A 87 -6.522 6.228 12.393 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.454 8.754 12.120 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.376 8.011 13.705 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -5.609 10.149 12.543 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.993 9.840 14.225 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.608 9.025 12.860 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.084 8.551 14.479 1.00 0.00 H new ATOM 1353 N TRP A 88 -6.382 6.503 9.925 1.00 0.00 N ATOM 1354 CA TRP A 88 -6.301 6.697 8.478 1.00 0.00 C ATOM 1355 C TRP A 88 -7.283 7.810 8.117 1.00 0.00 C ATOM 1356 O TRP A 88 -7.020 8.928 8.545 1.00 0.00 O ATOM 1357 CB TRP A 88 -6.480 5.329 7.793 1.00 0.00 C ATOM 1358 CG TRP A 88 -6.899 5.268 6.359 1.00 0.00 C ATOM 1359 CD1 TRP A 88 -6.185 5.616 5.263 1.00 0.00 C ATOM 1360 CD2 TRP A 88 -8.165 4.758 5.866 1.00 0.00 C ATOM 1361 NE1 TRP A 88 -6.958 5.405 4.134 1.00 0.00 N ATOM 1362 CE2 TRP A 88 -8.183 4.862 4.449 1.00 0.00 C ATOM 1363 CE3 TRP A 88 -9.305 4.220 6.495 1.00 0.00 C ATOM 1364 CZ2 TRP A 88 -9.293 4.469 3.690 1.00 0.00 C ATOM 1365 CZ3 TRP A 88 -10.419 3.817 5.742 1.00 0.00 C ATOM 1366 CH2 TRP A 88 -10.416 3.952 4.342 1.00 0.00 C ATOM 0 H TRP A 88 -6.975 5.728 10.221 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.335 7.044 8.112 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.533 4.796 7.879 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.215 4.769 8.371 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -5.174 5.997 5.268 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.657 5.625 3.185 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -9.322 4.116 7.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.281 4.564 2.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -11.282 3.401 6.240 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -11.283 3.656 3.770 1.00 0.00 H new ATOM 1377 N THR A 89 -8.466 7.535 7.559 1.00 0.00 N ATOM 1378 CA THR A 89 -9.503 8.465 7.062 1.00 0.00 C ATOM 1379 C THR A 89 -10.397 7.662 6.082 1.00 0.00 C ATOM 1380 O THR A 89 -10.026 7.505 4.916 1.00 0.00 O ATOM 1381 CB THR A 89 -8.959 9.741 6.346 1.00 0.00 C ATOM 1382 OG1 THR A 89 -8.304 10.698 7.151 1.00 0.00 O ATOM 1383 CG2 THR A 89 -10.016 10.604 5.662 1.00 0.00 C ATOM 0 H THR A 89 -8.756 6.566 7.428 1.00 0.00 H new ATOM 0 HA THR A 89 -10.046 8.843 7.928 1.00 0.00 H new ATOM 0 HB THR A 89 -8.277 9.238 5.660 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.815 10.243 7.868 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.537 11.464 5.195 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.528 10.016 4.900 1.00 0.00 H new ATOM 0 HG23 THR A 89 -10.739 10.948 6.402 1.00 0.00 H new ATOM 1391 N PRO A 90 -11.582 7.158 6.469 1.00 0.00 N ATOM 1392 CA PRO A 90 -12.509 6.449 5.568 1.00 0.00 C ATOM 1393 C PRO A 90 -13.057 7.287 4.413 1.00 0.00 C ATOM 1394 O PRO A 90 -13.599 6.739 3.451 1.00 0.00 O ATOM 1395 CB PRO A 90 -13.616 5.899 6.469 1.00 0.00 C ATOM 1396 CG PRO A 90 -13.574 6.787 7.700 1.00 0.00 C ATOM 1397 CD PRO A 90 -12.116 7.210 7.817 1.00 0.00 C ATOM 0 HA PRO A 90 -11.973 5.658 5.043 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -14.588 5.945 5.978 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.438 4.855 6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.230 7.650 7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -13.903 6.249 8.589 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.032 8.214 8.233 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.567 6.543 8.481 1.00 0.00 H new ATOM 1405 N GLU A 91 -12.864 8.596 4.469 1.00 0.00 N ATOM 1406 CA GLU A 91 -13.226 9.556 3.432 1.00 0.00 C ATOM 1407 C GLU A 91 -12.278 9.448 2.231 1.00 0.00 C ATOM 1408 O GLU A 91 -12.578 9.985 1.166 1.00 0.00 O ATOM 1409 CB GLU A 91 -13.134 10.993 3.984 1.00 0.00 C ATOM 1410 CG GLU A 91 -13.434 11.124 5.487 1.00 0.00 C ATOM 1411 CD GLU A 91 -14.889 10.863 5.869 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -15.779 11.284 5.098 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -15.119 10.361 6.989 1.00 0.00 O ATOM 0 H GLU A 91 -12.430 9.041 5.277 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.245 9.332 3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.132 11.378 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.830 11.625 3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.798 10.427 6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.161 12.128 5.813 1.00 0.00 H new ATOM 1421 N ARG A 92 -11.112 8.806 2.400 1.00 0.00 N ATOM 1422 CA ARG A 92 -10.002 8.885 1.453 1.00 0.00 C ATOM 1423 C ARG A 92 -10.395 8.400 0.066 1.00 0.00 C ATOM 1424 O ARG A 92 -9.991 8.995 -0.935 1.00 0.00 O ATOM 1425 CB ARG A 92 -8.833 8.013 1.942 1.00 0.00 C ATOM 1426 CG ARG A 92 -7.952 8.711 2.979 1.00 0.00 C ATOM 1427 CD ARG A 92 -6.704 9.320 2.330 1.00 0.00 C ATOM 1428 NE ARG A 92 -5.887 10.075 3.292 1.00 0.00 N ATOM 1429 CZ ARG A 92 -4.646 10.527 3.077 1.00 0.00 C ATOM 1430 NH1 ARG A 92 -4.081 10.452 1.878 1.00 0.00 N ATOM 1431 NH2 ARG A 92 -3.971 11.076 4.074 1.00 0.00 N ATOM 0 H ARG A 92 -10.917 8.213 3.207 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.714 9.934 1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.230 7.093 2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.220 7.727 1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.524 9.494 3.478 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.654 7.996 3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.102 8.525 1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.005 9.980 1.516 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.303 10.271 4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.594 10.043 1.097 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.134 10.803 1.738 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.397 11.152 4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.025 11.423 3.919 1.00 0.00 H new ATOM 1445 N MET A 93 -11.138 7.300 0.031 1.00 0.00 N ATOM 1446 CA MET A 93 -11.464 6.516 -1.152 1.00 0.00 C ATOM 1447 C MET A 93 -12.176 7.366 -2.212 1.00 0.00 C ATOM 1448 O MET A 93 -12.648 8.467 -1.916 1.00 0.00 O ATOM 1449 CB MET A 93 -12.344 5.342 -0.711 1.00 0.00 C ATOM 1450 CG MET A 93 -11.766 4.534 0.463 1.00 0.00 C ATOM 1451 SD MET A 93 -12.675 3.018 0.843 1.00 0.00 S ATOM 1452 CE MET A 93 -14.318 3.739 1.107 1.00 0.00 C ATOM 0 H MET A 93 -11.553 6.910 0.877 1.00 0.00 H new ATOM 0 HA MET A 93 -10.547 6.149 -1.613 1.00 0.00 H new ATOM 0 HB2 MET A 93 -13.325 5.723 -0.428 1.00 0.00 H new ATOM 0 HB3 MET A 93 -12.494 4.674 -1.560 1.00 0.00 H new ATOM 0 HG2 MET A 93 -10.731 4.276 0.237 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.750 5.166 1.351 1.00 0.00 H new ATOM 0 HE1 MET A 93 -14.901 3.088 1.759 1.00 0.00 H new ATOM 0 HE2 MET A 93 -14.215 4.719 1.572 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.828 3.844 0.149 1.00 0.00 H new ATOM 1462 N SER A 94 -12.303 6.859 -3.438 1.00 0.00 N ATOM 1463 CA SER A 94 -13.021 7.546 -4.503 1.00 0.00 C ATOM 1464 C SER A 94 -14.464 7.849 -4.066 1.00 0.00 C ATOM 1465 O SER A 94 -15.078 7.041 -3.364 1.00 0.00 O ATOM 1466 CB SER A 94 -13.066 6.670 -5.752 1.00 0.00 C ATOM 1467 OG SER A 94 -11.784 6.428 -6.307 1.00 0.00 O ATOM 0 H SER A 94 -11.910 5.960 -3.717 1.00 0.00 H new ATOM 0 HA SER A 94 -12.499 8.478 -4.719 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.534 5.717 -5.504 1.00 0.00 H new ATOM 0 HB3 SER A 94 -13.696 7.149 -6.502 1.00 0.00 H new ATOM 0 HG SER A 94 -11.873 5.862 -7.102 1.00 0.00 H new ATOM 1473 N PRO A 95 -15.051 8.970 -4.515 1.00 0.00 N ATOM 1474 CA PRO A 95 -16.349 9.412 -4.026 1.00 0.00 C ATOM 1475 C PRO A 95 -17.508 8.561 -4.558 1.00 0.00 C ATOM 1476 O PRO A 95 -18.576 8.547 -3.949 1.00 0.00 O ATOM 1477 CB PRO A 95 -16.440 10.876 -4.445 1.00 0.00 C ATOM 1478 CG PRO A 95 -15.621 10.934 -5.730 1.00 0.00 C ATOM 1479 CD PRO A 95 -14.491 9.945 -5.444 1.00 0.00 C ATOM 0 HA PRO A 95 -16.435 9.298 -2.945 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -17.473 11.181 -4.614 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -16.033 11.538 -3.680 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -16.208 10.639 -6.600 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.243 11.937 -5.926 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.150 9.463 -6.360 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.628 10.450 -5.010 1.00 0.00 H new ATOM 1487 N GLU A 96 -17.297 7.766 -5.614 1.00 0.00 N ATOM 1488 CA GLU A 96 -18.255 6.741 -6.003 1.00 0.00 C ATOM 1489 C GLU A 96 -18.420 5.733 -4.869 1.00 0.00 C ATOM 1490 O GLU A 96 -19.518 5.227 -4.651 1.00 0.00 O ATOM 1491 CB GLU A 96 -17.781 5.985 -7.254 1.00 0.00 C ATOM 1492 CG GLU A 96 -18.290 6.574 -8.568 1.00 0.00 C ATOM 1493 CD GLU A 96 -17.563 7.844 -8.997 1.00 0.00 C ATOM 1494 OE1 GLU A 96 -16.320 7.830 -9.121 1.00 0.00 O ATOM 1495 OE2 GLU A 96 -18.227 8.877 -9.267 1.00 0.00 O ATOM 0 H GLU A 96 -16.471 7.818 -6.209 1.00 0.00 H new ATOM 0 HA GLU A 96 -19.202 7.236 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -16.691 5.977 -7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -18.106 4.947 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -18.189 5.826 -9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -19.354 6.791 -8.470 1.00 0.00 H new ATOM 1503 N LEU A 97 -17.327 5.393 -4.185 1.00 0.00 N ATOM 1504 CA LEU A 97 -17.335 4.357 -3.163 1.00 0.00 C ATOM 1505 C LEU A 97 -17.994 4.818 -1.875 1.00 0.00 C ATOM 1506 O LEU A 97 -18.609 3.987 -1.214 1.00 0.00 O ATOM 1507 CB LEU A 97 -15.926 3.848 -2.857 1.00 0.00 C ATOM 1508 CG LEU A 97 -15.257 3.111 -4.023 1.00 0.00 C ATOM 1509 CD1 LEU A 97 -13.941 2.553 -3.507 1.00 0.00 C ATOM 1510 CD2 LEU A 97 -16.093 1.946 -4.565 1.00 0.00 C ATOM 0 H LEU A 97 -16.416 5.829 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 97 -17.925 3.540 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -15.301 4.693 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -15.972 3.179 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 97 -15.130 3.820 -4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -13.432 2.019 -4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.310 3.371 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.135 1.868 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -15.561 1.469 -5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -16.261 1.218 -3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -17.052 2.321 -4.922 1.00 0.00 H new ATOM 1522 N ARG A 98 -17.932 6.117 -1.555 1.00 0.00 N ATOM 1523 CA ARG A 98 -18.785 6.721 -0.540 1.00 0.00 C ATOM 1524 C ARG A 98 -20.229 6.305 -0.804 1.00 0.00 C ATOM 1525 O ARG A 98 -20.826 5.623 0.025 1.00 0.00 O ATOM 1526 CB ARG A 98 -18.621 8.251 -0.524 1.00 0.00 C ATOM 1527 CG ARG A 98 -17.591 8.729 0.505 1.00 0.00 C ATOM 1528 CD ARG A 98 -17.416 10.251 0.394 1.00 0.00 C ATOM 1529 NE ARG A 98 -17.103 10.888 1.686 1.00 0.00 N ATOM 1530 CZ ARG A 98 -17.382 12.162 1.996 1.00 0.00 C ATOM 1531 NH1 ARG A 98 -17.756 13.034 1.065 1.00 0.00 N ATOM 1532 NH2 ARG A 98 -17.285 12.558 3.256 1.00 0.00 N ATOM 0 H ARG A 98 -17.287 6.773 -1.996 1.00 0.00 H new ATOM 0 HA ARG A 98 -18.492 6.368 0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -18.321 8.590 -1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -19.584 8.713 -0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -17.917 8.463 1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -16.636 8.230 0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -16.618 10.469 -0.316 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -18.329 10.688 -0.009 1.00 0.00 H new ATOM 0 HE ARG A 98 -16.641 10.319 2.395 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -17.836 12.738 0.092 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -17.963 13.999 1.324 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.001 11.896 3.978 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -17.495 13.525 3.504 1.00 0.00 H new ATOM 1546 N GLU A 99 -20.744 6.623 -1.992 1.00 0.00 N ATOM 1547 CA GLU A 99 -22.103 6.271 -2.384 1.00 0.00 C ATOM 1548 C GLU A 99 -22.332 4.753 -2.476 1.00 0.00 C ATOM 1549 O GLU A 99 -23.456 4.303 -2.249 1.00 0.00 O ATOM 1550 CB GLU A 99 -22.439 6.915 -3.739 1.00 0.00 C ATOM 1551 CG GLU A 99 -23.219 8.228 -3.637 1.00 0.00 C ATOM 1552 CD GLU A 99 -22.421 9.361 -2.997 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -22.477 9.505 -1.758 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -21.752 10.117 -3.738 1.00 0.00 O ATOM 0 H GLU A 99 -20.227 7.133 -2.709 1.00 0.00 H new ATOM 0 HA GLU A 99 -22.760 6.651 -1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -21.511 7.099 -4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -23.019 6.207 -4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -23.533 8.534 -4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -24.125 8.059 -3.056 1.00 0.00 H new ATOM 1562 N LYS A 100 -21.330 3.959 -2.877 1.00 0.00 N ATOM 1563 CA LYS A 100 -21.479 2.506 -3.048 1.00 0.00 C ATOM 1564 C LYS A 100 -21.692 1.838 -1.694 1.00 0.00 C ATOM 1565 O LYS A 100 -22.624 1.050 -1.522 1.00 0.00 O ATOM 1566 CB LYS A 100 -20.252 1.880 -3.742 1.00 0.00 C ATOM 1567 CG LYS A 100 -20.595 0.468 -4.268 1.00 0.00 C ATOM 1568 CD LYS A 100 -19.413 -0.507 -4.309 1.00 0.00 C ATOM 1569 CE LYS A 100 -18.508 -0.328 -5.528 1.00 0.00 C ATOM 1570 NZ LYS A 100 -17.351 -1.249 -5.481 1.00 0.00 N ATOM 0 H LYS A 100 -20.395 4.304 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 100 -22.348 2.341 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -19.930 2.515 -4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -19.420 1.822 -3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -21.378 0.042 -3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -21.007 0.560 -5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.818 -0.380 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -19.795 -1.528 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.081 -0.507 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.154 0.702 -5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.757 -1.103 -6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.792 -1.061 -4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -17.690 -2.232 -5.464 1.00 0.00 H new ATOM 1584 N PHE A 101 -20.764 2.089 -0.778 1.00 0.00 N ATOM 1585 CA PHE A 101 -20.744 1.455 0.521 1.00 0.00 C ATOM 1586 C PHE A 101 -21.788 2.088 1.441 1.00 0.00 C ATOM 1587 O PHE A 101 -22.472 1.371 2.171 1.00 0.00 O ATOM 1588 CB PHE A 101 -19.327 1.586 1.087 1.00 0.00 C ATOM 1589 CG PHE A 101 -18.205 0.984 0.247 1.00 0.00 C ATOM 1590 CD1 PHE A 101 -18.395 -0.165 -0.549 1.00 0.00 C ATOM 1591 CD2 PHE A 101 -16.930 1.572 0.300 1.00 0.00 C ATOM 1592 CE1 PHE A 101 -17.313 -0.722 -1.254 1.00 0.00 C ATOM 1593 CE2 PHE A 101 -15.850 1.012 -0.408 1.00 0.00 C ATOM 1594 CZ PHE A 101 -16.041 -0.138 -1.185 1.00 0.00 C ATOM 0 H PHE A 101 -19.999 2.747 -0.925 1.00 0.00 H new ATOM 0 HA PHE A 101 -21.001 0.399 0.439 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -19.114 2.645 1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -19.307 1.117 2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -19.373 -0.618 -0.617 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -16.777 2.463 0.890 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -17.464 -1.607 -1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.873 1.469 -0.352 1.00 0.00 H new ATOM 0 HZ PHE A 101 -15.214 -0.571 -1.727 1.00 0.00 H new ATOM 1604 N GLY A 102 -21.935 3.415 1.391 1.00 0.00 N ATOM 1605 CA GLY A 102 -22.687 4.177 2.373 1.00 0.00 C ATOM 1606 C GLY A 102 -21.827 4.311 3.625 1.00 0.00 C ATOM 1607 O GLY A 102 -22.178 3.776 4.683 1.00 0.00 O ATOM 0 H GLY A 102 -21.527 3.991 0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -22.941 5.161 1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -23.626 3.675 2.607 1.00 0.00 H new ATOM 1611 N VAL A 103 -20.669 4.960 3.453 1.00 0.00 N ATOM 1612 CA VAL A 103 -19.628 5.169 4.455 1.00 0.00 C ATOM 1613 C VAL A 103 -20.243 5.840 5.672 1.00 0.00 C ATOM 1614 O VAL A 103 -21.005 6.818 5.508 1.00 0.00 O ATOM 1615 CB VAL A 103 -18.477 5.980 3.821 1.00 0.00 C ATOM 1616 CG1 VAL A 103 -17.406 6.423 4.824 1.00 0.00 C ATOM 1617 CG2 VAL A 103 -17.767 5.152 2.735 1.00 0.00 C ATOM 0 H VAL A 103 -20.423 5.377 2.555 1.00 0.00 H new ATOM 0 HA VAL A 103 -19.201 4.225 4.794 1.00 0.00 H new ATOM 0 HB VAL A 103 -18.953 6.869 3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.632 6.987 4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -17.862 7.052 5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -16.962 5.545 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -16.959 5.740 2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.357 4.245 3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.481 4.884 1.956 1.00 0.00 H new