USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 822 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 Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0139 K(o=-0.014,f=-2.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 157:sc= -2.44 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -8:sc= 0.422 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -137:sc= -1.22 (180deg=-4.24!) USER MOD Single : A 42 TYR OH : rot -121:sc= 0.107 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 101:sc= -3.77 USER MOD Single : A 79 TYR OH : rot -88:sc= 1.14 USER MOD Single : A 84 MET CE :methyl -144:sc= -2.14 (180deg=-3.68!) USER MOD Single : A 97 ASN : amide:sc= -4.79 K(o=-4.8,f=-12!) USER MOD Single : A 100 TYR OH : rot 50:sc= -1.43! USER MOD Single : A 101 ASN : amide:sc= -0.0578 X(o=-0.058,f=-0.0077) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -61:sc= 1.15 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN : amide:sc=-0.00413 X(o=-0.0041,f=-0.032) USER MOD Single : A 119 GLN : amide:sc= -0.0585 X(o=-0.059,f=0) USER MOD ----------------------------------------------------------------- ATOM 90 N LEU A 13 -0.710 -5.644 -11.769 1.00 0.00 N ATOM 91 CA LEU A 13 -1.786 -6.056 -10.874 1.00 0.00 C ATOM 92 C LEU A 13 -2.955 -5.080 -10.949 1.00 0.00 C ATOM 93 O LEU A 13 -2.760 -3.872 -11.089 1.00 0.00 O ATOM 94 CB LEU A 13 -1.276 -6.146 -9.435 1.00 0.00 C ATOM 95 CG LEU A 13 -2.109 -7.034 -8.508 1.00 0.00 C ATOM 96 CD1 LEU A 13 -1.747 -8.499 -8.703 1.00 0.00 C ATOM 97 CD2 LEU A 13 -1.914 -6.623 -7.055 1.00 0.00 C ATOM 0 HA LEU A 13 -2.133 -7.040 -11.191 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.253 -6.522 -9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.240 -5.141 -9.015 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.161 -6.904 -8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.350 -9.115 -8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.941 -8.787 -9.736 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.691 -8.646 -8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.514 -7.266 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.862 -6.722 -6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.226 -5.587 -6.925 1.00 0.00 H new ATOM 109 N ARG A 14 -4.171 -5.609 -10.854 1.00 0.00 N ATOM 110 CA ARG A 14 -5.368 -4.778 -10.911 1.00 0.00 C ATOM 111 C ARG A 14 -5.761 -4.292 -9.522 1.00 0.00 C ATOM 112 O ARG A 14 -6.389 -5.017 -8.751 1.00 0.00 O ATOM 113 CB ARG A 14 -6.532 -5.546 -11.536 1.00 0.00 C ATOM 114 CG ARG A 14 -6.122 -6.459 -12.682 1.00 0.00 C ATOM 115 CD ARG A 14 -5.915 -7.888 -12.208 1.00 0.00 C ATOM 116 NE ARG A 14 -4.676 -8.463 -12.728 1.00 0.00 N ATOM 117 CZ ARG A 14 -4.547 -8.959 -13.956 1.00 0.00 C ATOM 118 NH1 ARG A 14 -5.576 -8.950 -14.797 1.00 0.00 N ATOM 119 NH2 ARG A 14 -3.386 -9.466 -14.348 1.00 0.00 N ATOM 0 H ARG A 14 -4.353 -6.606 -10.738 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.140 -3.913 -11.533 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.017 -6.143 -10.764 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.272 -4.833 -11.899 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.888 -6.439 -13.457 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.202 -6.087 -13.134 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.895 -7.909 -11.118 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.760 -8.501 -12.524 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.862 -8.485 -12.113 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.472 -8.561 -14.503 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.470 -9.332 -15.737 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.592 -9.476 -13.708 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.287 -9.846 -15.289 1.00 0.00 H new ATOM 133 N ILE A 15 -5.390 -3.059 -9.213 1.00 0.00 N ATOM 134 CA ILE A 15 -5.703 -2.465 -7.921 1.00 0.00 C ATOM 135 C ILE A 15 -6.368 -1.105 -8.096 1.00 0.00 C ATOM 136 O ILE A 15 -5.741 -0.152 -8.558 1.00 0.00 O ATOM 137 CB ILE A 15 -4.437 -2.301 -7.059 1.00 0.00 C ATOM 138 CG1 ILE A 15 -3.631 -3.601 -7.043 1.00 0.00 C ATOM 139 CG2 ILE A 15 -4.809 -1.885 -5.644 1.00 0.00 C ATOM 140 CD1 ILE A 15 -2.343 -3.504 -6.256 1.00 0.00 C ATOM 0 H ILE A 15 -4.870 -2.447 -9.842 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.391 -3.142 -7.414 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.818 -1.518 -7.496 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.246 -4.395 -6.621 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.400 -3.888 -8.069 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.903 -1.773 -5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.344 -0.936 -5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.447 -2.647 -5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.824 -4.462 -6.288 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.708 -2.732 -6.691 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.568 -3.248 -5.221 1.00 0.00 H new ATOM 152 N LYS A 16 -7.642 -1.023 -7.727 1.00 0.00 N ATOM 153 CA LYS A 16 -8.392 0.221 -7.847 1.00 0.00 C ATOM 154 C LYS A 16 -8.963 0.638 -6.497 1.00 0.00 C ATOM 155 O LYS A 16 -9.574 -0.167 -5.794 1.00 0.00 O ATOM 156 CB LYS A 16 -9.520 0.064 -8.867 1.00 0.00 C ATOM 157 CG LYS A 16 -9.032 -0.030 -10.303 1.00 0.00 C ATOM 158 CD LYS A 16 -10.163 -0.384 -11.254 1.00 0.00 C ATOM 159 CE LYS A 16 -9.705 -1.361 -12.326 1.00 0.00 C ATOM 160 NZ LYS A 16 -10.854 -1.989 -13.037 1.00 0.00 N ATOM 0 H LYS A 16 -8.176 -1.803 -7.343 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.710 0.999 -8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.093 -0.832 -8.627 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.200 0.911 -8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.589 0.920 -10.601 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.247 -0.783 -10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.989 -0.820 -10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.541 0.523 -11.725 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.074 -0.840 -13.046 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.092 -2.139 -11.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.498 -2.647 -13.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.442 -2.508 -12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.425 -1.250 -13.494 1.00 0.00 H new ATOM 174 N VAL A 17 -8.759 1.901 -6.140 1.00 0.00 N ATOM 175 CA VAL A 17 -9.252 2.424 -4.872 1.00 0.00 C ATOM 176 C VAL A 17 -10.368 3.439 -5.095 1.00 0.00 C ATOM 177 O VAL A 17 -10.148 4.500 -5.679 1.00 0.00 O ATOM 178 CB VAL A 17 -8.128 3.087 -4.047 1.00 0.00 C ATOM 179 CG1 VAL A 17 -8.385 2.902 -2.562 1.00 0.00 C ATOM 180 CG2 VAL A 17 -6.765 2.524 -4.428 1.00 0.00 C ATOM 0 H VAL A 17 -8.256 2.581 -6.710 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.639 1.571 -4.314 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.125 4.154 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.585 3.374 -1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.338 3.361 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.417 1.838 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.992 3.008 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.749 1.451 -4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.577 2.710 -5.486 1.00 0.00 H new ATOM 190 N ASP A 18 -11.566 3.105 -4.628 1.00 0.00 N ATOM 191 CA ASP A 18 -12.717 3.987 -4.778 1.00 0.00 C ATOM 192 C ASP A 18 -13.574 3.991 -3.515 1.00 0.00 C ATOM 193 O ASP A 18 -14.771 4.275 -3.569 1.00 0.00 O ATOM 194 CB ASP A 18 -13.561 3.556 -5.978 1.00 0.00 C ATOM 195 CG ASP A 18 -14.074 2.136 -5.843 1.00 0.00 C ATOM 196 OD1 ASP A 18 -15.135 1.944 -5.212 1.00 0.00 O ATOM 197 OD2 ASP A 18 -13.415 1.213 -6.368 1.00 0.00 O ATOM 0 H ASP A 18 -11.765 2.230 -4.143 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.346 4.998 -4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.406 4.236 -6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.965 3.639 -6.887 1.00 0.00 H new ATOM 202 N ASP A 19 -12.956 3.679 -2.380 1.00 0.00 N ATOM 203 CA ASP A 19 -13.668 3.651 -1.109 1.00 0.00 C ATOM 204 C ASP A 19 -12.844 4.316 -0.012 1.00 0.00 C ATOM 205 O ASP A 19 -11.659 4.027 0.151 1.00 0.00 O ATOM 206 CB ASP A 19 -13.997 2.211 -0.715 1.00 0.00 C ATOM 207 CG ASP A 19 -15.382 1.790 -1.167 1.00 0.00 C ATOM 208 OD1 ASP A 19 -16.277 2.660 -1.228 1.00 0.00 O ATOM 209 OD2 ASP A 19 -15.573 0.591 -1.460 1.00 0.00 O ATOM 0 H ASP A 19 -11.966 3.443 -2.315 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.598 4.207 -1.229 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.256 1.540 -1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.924 2.108 0.368 1.00 0.00 H new ATOM 214 N VAL A 20 -13.480 5.211 0.736 1.00 0.00 N ATOM 215 CA VAL A 20 -12.805 5.919 1.816 1.00 0.00 C ATOM 216 C VAL A 20 -13.763 6.202 2.969 1.00 0.00 C ATOM 217 O VAL A 20 -14.696 6.994 2.833 1.00 0.00 O ATOM 218 CB VAL A 20 -12.203 7.250 1.326 1.00 0.00 C ATOM 219 CG1 VAL A 20 -11.342 7.880 2.410 1.00 0.00 C ATOM 220 CG2 VAL A 20 -11.397 7.033 0.054 1.00 0.00 C ATOM 0 H VAL A 20 -14.461 5.463 0.614 1.00 0.00 H new ATOM 0 HA VAL A 20 -12.000 5.272 2.165 1.00 0.00 H new ATOM 0 HB VAL A 20 -13.020 7.936 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.926 8.819 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.952 8.073 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.530 7.201 2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.979 7.983 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.588 6.330 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.046 6.630 -0.724 1.00 0.00 H new ATOM 230 N LYS A 21 -13.525 5.550 4.101 1.00 0.00 N ATOM 231 CA LYS A 21 -14.366 5.733 5.278 1.00 0.00 C ATOM 232 C LYS A 21 -13.757 6.764 6.221 1.00 0.00 C ATOM 233 O LYS A 21 -12.831 6.462 6.974 1.00 0.00 O ATOM 234 CB LYS A 21 -14.552 4.403 6.011 1.00 0.00 C ATOM 235 CG LYS A 21 -15.744 4.391 6.955 1.00 0.00 C ATOM 236 CD LYS A 21 -15.756 3.140 7.820 1.00 0.00 C ATOM 237 CE LYS A 21 -16.572 2.029 7.182 1.00 0.00 C ATOM 238 NZ LYS A 21 -16.612 0.809 8.035 1.00 0.00 N ATOM 0 H LYS A 21 -12.757 4.891 4.229 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.339 6.096 4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.672 3.607 5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.648 4.180 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.714 5.275 7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.667 4.445 6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.734 2.797 7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.168 3.378 8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.588 2.381 7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.147 1.779 6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.178 0.075 7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.645 0.458 8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.041 1.041 8.953 1.00 0.00 H new ATOM 252 N ILE A 22 -14.281 7.985 6.173 1.00 0.00 N ATOM 253 CA ILE A 22 -13.788 9.060 7.020 1.00 0.00 C ATOM 254 C ILE A 22 -14.228 8.865 8.467 1.00 0.00 C ATOM 255 O ILE A 22 -15.346 9.219 8.840 1.00 0.00 O ATOM 256 CB ILE A 22 -14.280 10.433 6.526 1.00 0.00 C ATOM 257 CG1 ILE A 22 -14.023 10.583 5.026 1.00 0.00 C ATOM 258 CG2 ILE A 22 -13.596 11.548 7.299 1.00 0.00 C ATOM 259 CD1 ILE A 22 -12.554 10.585 4.662 1.00 0.00 C ATOM 0 H ILE A 22 -15.047 8.252 5.555 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.700 9.032 6.967 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.354 10.501 6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.519 9.769 4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.476 11.511 4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.954 12.513 6.939 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.825 11.449 8.360 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -12.518 11.483 7.153 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.447 10.695 3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.056 11.416 5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.100 9.646 4.978 1.00 0.00 H new ATOM 271 N ASN A 23 -13.340 8.299 9.277 1.00 0.00 N ATOM 272 CA ASN A 23 -13.636 8.058 10.685 1.00 0.00 C ATOM 273 C ASN A 23 -13.076 9.182 11.556 1.00 0.00 C ATOM 274 O ASN A 23 -12.012 9.729 11.267 1.00 0.00 O ATOM 275 CB ASN A 23 -13.055 6.712 11.126 1.00 0.00 C ATOM 276 CG ASN A 23 -14.130 5.668 11.358 1.00 0.00 C ATOM 277 OD1 ASN A 23 -14.811 5.679 12.383 1.00 0.00 O ATOM 278 ND2 ASN A 23 -14.287 4.757 10.404 1.00 0.00 N ATOM 0 H ASN A 23 -12.410 7.999 8.984 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.719 8.033 10.807 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.361 6.352 10.367 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.482 6.849 12.043 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -14.994 4.029 10.505 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.700 4.785 9.570 1.00 0.00 H new ATOM 285 N PRO A 24 -13.789 9.544 12.637 1.00 0.00 N ATOM 286 CA PRO A 24 -13.357 10.610 13.548 1.00 0.00 C ATOM 287 C PRO A 24 -11.951 10.380 14.098 1.00 0.00 C ATOM 288 O PRO A 24 -11.296 11.315 14.558 1.00 0.00 O ATOM 289 CB PRO A 24 -14.385 10.556 14.681 1.00 0.00 C ATOM 290 CG PRO A 24 -15.588 9.921 14.076 1.00 0.00 C ATOM 291 CD PRO A 24 -15.071 8.947 13.055 1.00 0.00 C ATOM 0 HA PRO A 24 -13.309 11.574 13.041 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.013 9.974 15.525 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.612 11.554 15.057 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.184 9.413 14.834 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.232 10.668 13.612 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.932 7.953 13.481 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.758 8.841 12.216 1.00 0.00 H new ATOM 299 N LYS A 25 -11.494 9.132 14.054 1.00 0.00 N ATOM 300 CA LYS A 25 -10.169 8.787 14.557 1.00 0.00 C ATOM 301 C LYS A 25 -9.134 8.765 13.435 1.00 0.00 C ATOM 302 O LYS A 25 -7.966 9.087 13.651 1.00 0.00 O ATOM 303 CB LYS A 25 -10.206 7.427 15.256 1.00 0.00 C ATOM 304 CG LYS A 25 -10.927 7.451 16.594 1.00 0.00 C ATOM 305 CD LYS A 25 -9.977 7.778 17.734 1.00 0.00 C ATOM 306 CE LYS A 25 -9.461 6.517 18.409 1.00 0.00 C ATOM 307 NZ LYS A 25 -9.409 6.662 19.891 1.00 0.00 N ATOM 0 H LYS A 25 -12.021 8.345 13.676 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.876 9.554 15.274 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.695 6.705 14.602 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.185 7.078 15.409 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.728 8.190 16.563 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.393 6.482 16.774 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.136 8.358 17.353 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.488 8.401 18.468 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.104 5.677 18.149 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.465 6.285 18.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.052 5.781 20.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.775 7.448 20.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.363 6.858 20.254 1.00 0.00 H new ATOM 321 N TYR A 26 -9.565 8.381 12.236 1.00 0.00 N ATOM 322 CA TYR A 26 -8.664 8.316 11.090 1.00 0.00 C ATOM 323 C TYR A 26 -9.426 8.002 9.806 1.00 0.00 C ATOM 324 O TYR A 26 -10.556 7.514 9.845 1.00 0.00 O ATOM 325 CB TYR A 26 -7.581 7.261 11.324 1.00 0.00 C ATOM 326 CG TYR A 26 -8.091 6.000 11.987 1.00 0.00 C ATOM 327 CD1 TYR A 26 -8.942 5.133 11.314 1.00 0.00 C ATOM 328 CD2 TYR A 26 -7.722 5.680 13.288 1.00 0.00 C ATOM 329 CE1 TYR A 26 -9.411 3.983 11.919 1.00 0.00 C ATOM 330 CE2 TYR A 26 -8.185 4.530 13.898 1.00 0.00 C ATOM 331 CZ TYR A 26 -9.029 3.686 13.210 1.00 0.00 C ATOM 332 OH TYR A 26 -9.494 2.540 13.814 1.00 0.00 O ATOM 0 H TYR A 26 -10.528 8.112 12.034 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.194 9.293 10.979 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.128 7.000 10.367 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.794 7.693 11.942 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.242 5.361 10.302 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.063 6.341 13.831 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.074 3.320 11.383 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.887 4.294 14.909 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.130 2.478 14.722 1.00 0.00 H new ATOM 342 N VAL A 27 -8.799 8.286 8.668 1.00 0.00 N ATOM 343 CA VAL A 27 -9.415 8.035 7.369 1.00 0.00 C ATOM 344 C VAL A 27 -8.825 6.790 6.712 1.00 0.00 C ATOM 345 O VAL A 27 -7.640 6.753 6.378 1.00 0.00 O ATOM 346 CB VAL A 27 -9.233 9.235 6.421 1.00 0.00 C ATOM 347 CG1 VAL A 27 -10.040 9.040 5.147 1.00 0.00 C ATOM 348 CG2 VAL A 27 -9.626 10.529 7.118 1.00 0.00 C ATOM 0 H VAL A 27 -7.864 8.690 8.619 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.479 7.879 7.548 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.180 9.301 6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.898 9.899 4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.705 8.136 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.097 8.945 5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.491 11.366 6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.671 10.475 7.424 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.998 10.674 7.997 1.00 0.00 H new ATOM 358 N LEU A 28 -9.660 5.771 6.529 1.00 0.00 N ATOM 359 CA LEU A 28 -9.226 4.522 5.911 1.00 0.00 C ATOM 360 C LEU A 28 -9.491 4.536 4.410 1.00 0.00 C ATOM 361 O LEU A 28 -10.314 5.312 3.922 1.00 0.00 O ATOM 362 CB LEU A 28 -9.939 3.333 6.557 1.00 0.00 C ATOM 363 CG LEU A 28 -9.736 3.197 8.066 1.00 0.00 C ATOM 364 CD1 LEU A 28 -10.365 1.909 8.575 1.00 0.00 C ATOM 365 CD2 LEU A 28 -8.254 3.240 8.409 1.00 0.00 C ATOM 0 H LEU A 28 -10.643 5.786 6.801 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.152 4.422 6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.007 3.417 6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.595 2.418 6.076 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.228 4.036 8.557 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.211 1.829 9.651 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.434 1.917 8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.902 1.057 8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.127 3.142 9.487 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.740 2.420 7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.832 4.189 8.079 1.00 0.00 H new ATOM 377 N TYR A 29 -8.790 3.674 3.681 1.00 0.00 N ATOM 378 CA TYR A 29 -8.949 3.593 2.234 1.00 0.00 C ATOM 379 C TYR A 29 -9.220 2.160 1.788 1.00 0.00 C ATOM 380 O TYR A 29 -8.444 1.251 2.084 1.00 0.00 O ATOM 381 CB TYR A 29 -7.698 4.122 1.533 1.00 0.00 C ATOM 382 CG TYR A 29 -7.624 5.630 1.490 1.00 0.00 C ATOM 383 CD1 TYR A 29 -7.070 6.349 2.540 1.00 0.00 C ATOM 384 CD2 TYR A 29 -8.108 6.335 0.395 1.00 0.00 C ATOM 385 CE1 TYR A 29 -7.001 7.727 2.503 1.00 0.00 C ATOM 386 CE2 TYR A 29 -8.042 7.713 0.349 1.00 0.00 C ATOM 387 CZ TYR A 29 -7.488 8.405 1.406 1.00 0.00 C ATOM 388 OH TYR A 29 -7.420 9.778 1.364 1.00 0.00 O ATOM 0 H TYR A 29 -8.107 3.023 4.068 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.806 4.208 1.958 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.815 3.737 2.043 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.671 3.736 0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.686 5.821 3.401 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.543 5.796 -0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.568 8.271 3.329 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.422 8.246 -0.510 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.449 10.079 0.432 1.00 0.00 H new ATOM 398 N GLY A 30 -10.320 1.968 1.069 1.00 0.00 N ATOM 399 CA GLY A 30 -10.668 0.645 0.586 1.00 0.00 C ATOM 400 C GLY A 30 -10.030 0.340 -0.752 1.00 0.00 C ATOM 401 O GLY A 30 -10.530 0.762 -1.795 1.00 0.00 O ATOM 0 H GLY A 30 -10.977 2.705 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.353 -0.101 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.751 0.566 0.497 1.00 0.00 H new ATOM 405 N VAL A 31 -8.919 -0.392 -0.725 1.00 0.00 N ATOM 406 CA VAL A 31 -8.207 -0.744 -1.947 1.00 0.00 C ATOM 407 C VAL A 31 -8.763 -2.024 -2.558 1.00 0.00 C ATOM 408 O VAL A 31 -8.691 -3.096 -1.958 1.00 0.00 O ATOM 409 CB VAL A 31 -6.700 -0.926 -1.689 1.00 0.00 C ATOM 410 CG1 VAL A 31 -5.949 -1.081 -3.001 1.00 0.00 C ATOM 411 CG2 VAL A 31 -6.150 0.246 -0.887 1.00 0.00 C ATOM 0 H VAL A 31 -8.494 -0.752 0.130 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.351 0.082 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.557 -1.835 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.886 -1.208 -2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.324 -1.955 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.098 -0.191 -3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.084 0.100 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.304 1.171 -1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.668 0.307 0.070 1.00 0.00 H new ATOM 421 N SER A 32 -9.318 -1.901 -3.759 1.00 0.00 N ATOM 422 CA SER A 32 -9.890 -3.047 -4.459 1.00 0.00 C ATOM 423 C SER A 32 -8.801 -3.864 -5.149 1.00 0.00 C ATOM 424 O SER A 32 -7.900 -3.309 -5.777 1.00 0.00 O ATOM 425 CB SER A 32 -10.922 -2.579 -5.486 1.00 0.00 C ATOM 426 OG SER A 32 -12.026 -3.465 -5.539 1.00 0.00 O ATOM 0 H SER A 32 -9.384 -1.020 -4.268 1.00 0.00 H new ATOM 0 HA SER A 32 -10.382 -3.682 -3.723 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.267 -1.578 -5.229 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.457 -2.513 -6.470 1.00 0.00 H new ATOM 0 HG SER A 32 -12.672 -3.143 -6.202 1.00 0.00 H new ATOM 432 N THR A 33 -8.890 -5.185 -5.027 1.00 0.00 N ATOM 433 CA THR A 33 -7.912 -6.079 -5.638 1.00 0.00 C ATOM 434 C THR A 33 -8.549 -7.421 -5.997 1.00 0.00 C ATOM 435 O THR A 33 -9.646 -7.735 -5.536 1.00 0.00 O ATOM 436 CB THR A 33 -6.734 -6.287 -4.687 1.00 0.00 C ATOM 437 OG1 THR A 33 -7.191 -6.597 -3.382 1.00 0.00 O ATOM 438 CG2 THR A 33 -5.838 -5.073 -4.583 1.00 0.00 C ATOM 0 H THR A 33 -9.630 -5.660 -4.510 1.00 0.00 H new ATOM 0 HA THR A 33 -7.551 -5.620 -6.559 1.00 0.00 H new ATOM 0 HB THR A 33 -6.160 -7.112 -5.108 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.164 -6.490 -3.342 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.020 -5.282 -3.893 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.432 -4.835 -5.566 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.415 -4.225 -4.214 1.00 0.00 H new ATOM 446 N PRO A 34 -7.872 -8.234 -6.832 1.00 0.00 N ATOM 447 CA PRO A 34 -8.386 -9.542 -7.250 1.00 0.00 C ATOM 448 C PRO A 34 -8.982 -10.335 -6.095 1.00 0.00 C ATOM 449 O PRO A 34 -9.901 -11.132 -6.284 1.00 0.00 O ATOM 450 CB PRO A 34 -7.144 -10.237 -7.803 1.00 0.00 C ATOM 451 CG PRO A 34 -6.305 -9.128 -8.334 1.00 0.00 C ATOM 452 CD PRO A 34 -6.556 -7.944 -7.438 1.00 0.00 C ATOM 0 HA PRO A 34 -9.201 -9.453 -7.969 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.621 -10.794 -7.026 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.403 -10.950 -8.586 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.250 -9.402 -8.330 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.571 -8.898 -9.366 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.779 -7.844 -6.680 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.572 -7.012 -8.002 1.00 0.00 H new ATOM 460 N ASN A 35 -8.459 -10.107 -4.897 1.00 0.00 N ATOM 461 CA ASN A 35 -8.948 -10.795 -3.711 1.00 0.00 C ATOM 462 C ASN A 35 -10.207 -10.116 -3.182 1.00 0.00 C ATOM 463 O ASN A 35 -11.237 -10.761 -2.989 1.00 0.00 O ATOM 464 CB ASN A 35 -7.870 -10.818 -2.625 1.00 0.00 C ATOM 465 CG ASN A 35 -6.729 -11.757 -2.964 1.00 0.00 C ATOM 466 OD1 ASN A 35 -5.851 -11.424 -3.761 1.00 0.00 O ATOM 467 ND2 ASN A 35 -6.735 -12.939 -2.358 1.00 0.00 N ATOM 0 H ASN A 35 -7.697 -9.452 -4.722 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.192 -11.821 -3.986 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.478 -9.811 -2.484 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.318 -11.121 -1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.992 -13.612 -2.546 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.482 -13.173 -1.705 1.00 0.00 H new ATOM 474 N LYS A 36 -10.114 -8.806 -2.958 1.00 0.00 N ATOM 475 CA LYS A 36 -11.241 -8.021 -2.456 1.00 0.00 C ATOM 476 C LYS A 36 -10.780 -6.637 -2.010 1.00 0.00 C ATOM 477 O LYS A 36 -9.606 -6.292 -2.137 1.00 0.00 O ATOM 478 CB LYS A 36 -11.929 -8.736 -1.289 1.00 0.00 C ATOM 479 CG LYS A 36 -10.960 -9.279 -0.250 1.00 0.00 C ATOM 480 CD LYS A 36 -11.591 -10.389 0.575 1.00 0.00 C ATOM 481 CE LYS A 36 -11.990 -9.902 1.960 1.00 0.00 C ATOM 482 NZ LYS A 36 -13.382 -10.298 2.309 1.00 0.00 N ATOM 0 H LYS A 36 -9.265 -8.264 -3.117 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.956 -7.911 -3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.617 -8.043 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.528 -9.559 -1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.066 -9.657 -0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.641 -8.471 0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.470 -10.773 0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.889 -11.217 0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.301 -10.309 2.700 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.900 -8.817 2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.615 -9.947 3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.043 -9.889 1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.462 -11.335 2.293 1.00 0.00 H new ATOM 496 N ARG A 37 -11.713 -5.849 -1.483 1.00 0.00 N ATOM 497 CA ARG A 37 -11.401 -4.504 -1.013 1.00 0.00 C ATOM 498 C ARG A 37 -10.780 -4.551 0.379 1.00 0.00 C ATOM 499 O ARG A 37 -11.331 -5.164 1.294 1.00 0.00 O ATOM 500 CB ARG A 37 -12.664 -3.641 -0.999 1.00 0.00 C ATOM 501 CG ARG A 37 -12.479 -2.282 -1.654 1.00 0.00 C ATOM 502 CD ARG A 37 -13.742 -1.441 -1.567 1.00 0.00 C ATOM 503 NE ARG A 37 -14.604 -1.624 -2.733 1.00 0.00 N ATOM 504 CZ ARG A 37 -15.548 -2.559 -2.825 1.00 0.00 C ATOM 505 NH1 ARG A 37 -15.752 -3.412 -1.827 1.00 0.00 N ATOM 506 NH2 ARG A 37 -16.288 -2.646 -3.922 1.00 0.00 N ATOM 0 H ARG A 37 -12.690 -6.119 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.679 -4.060 -1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.465 -4.175 -1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.984 -3.497 0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.656 -1.754 -1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.202 -2.416 -2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.292 -1.706 -0.664 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.471 -0.389 -1.478 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.474 -0.996 -3.526 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.184 -3.354 -0.982 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.477 -4.125 -1.906 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.134 -1.997 -4.694 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.011 -3.362 -3.994 1.00 0.00 H new ATOM 520 N LEU A 38 -9.628 -3.907 0.531 1.00 0.00 N ATOM 521 CA LEU A 38 -8.928 -3.883 1.811 1.00 0.00 C ATOM 522 C LEU A 38 -8.830 -2.461 2.360 1.00 0.00 C ATOM 523 O LEU A 38 -8.626 -1.507 1.609 1.00 0.00 O ATOM 524 CB LEU A 38 -7.528 -4.483 1.656 1.00 0.00 C ATOM 525 CG LEU A 38 -7.336 -5.852 2.311 1.00 0.00 C ATOM 526 CD1 LEU A 38 -6.480 -6.751 1.433 1.00 0.00 C ATOM 527 CD2 LEU A 38 -6.710 -5.698 3.688 1.00 0.00 C ATOM 0 H LEU A 38 -9.159 -3.395 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.499 -4.482 2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.302 -4.570 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.802 -3.789 2.080 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.314 -6.319 2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.355 -7.720 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.967 -6.887 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.503 -6.291 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.580 -6.681 4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.740 -5.211 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.361 -5.092 4.318 1.00 0.00 H new ATOM 539 N TYR A 39 -8.971 -2.331 3.676 1.00 0.00 N ATOM 540 CA TYR A 39 -8.893 -1.030 4.330 1.00 0.00 C ATOM 541 C TYR A 39 -7.526 -0.835 4.977 1.00 0.00 C ATOM 542 O TYR A 39 -7.189 -1.506 5.952 1.00 0.00 O ATOM 543 CB TYR A 39 -9.993 -0.901 5.385 1.00 0.00 C ATOM 544 CG TYR A 39 -11.318 -0.431 4.828 1.00 0.00 C ATOM 545 CD1 TYR A 39 -11.449 0.832 4.266 1.00 0.00 C ATOM 546 CD2 TYR A 39 -12.439 -1.252 4.864 1.00 0.00 C ATOM 547 CE1 TYR A 39 -12.658 1.266 3.756 1.00 0.00 C ATOM 548 CE2 TYR A 39 -13.652 -0.826 4.357 1.00 0.00 C ATOM 549 CZ TYR A 39 -13.756 0.433 3.804 1.00 0.00 C ATOM 550 OH TYR A 39 -14.962 0.860 3.297 1.00 0.00 O ATOM 0 H TYR A 39 -9.140 -3.112 4.310 1.00 0.00 H new ATOM 0 HA TYR A 39 -9.034 -0.258 3.574 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -10.135 -1.867 5.869 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -9.665 -0.203 6.156 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -10.591 1.487 4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -12.361 -2.239 5.295 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -12.742 2.252 3.322 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -14.514 -1.476 4.394 1.00 0.00 H new ATOM 0 HH TYR A 39 -15.632 0.153 3.408 1.00 0.00 H new ATOM 560 N LYS A 40 -6.740 0.084 4.427 1.00 0.00 N ATOM 561 CA LYS A 40 -5.407 0.362 4.950 1.00 0.00 C ATOM 562 C LYS A 40 -5.257 1.835 5.312 1.00 0.00 C ATOM 563 O LYS A 40 -6.153 2.642 5.060 1.00 0.00 O ATOM 564 CB LYS A 40 -4.343 -0.030 3.923 1.00 0.00 C ATOM 565 CG LYS A 40 -4.123 -1.531 3.818 1.00 0.00 C ATOM 566 CD LYS A 40 -2.987 -1.860 2.862 1.00 0.00 C ATOM 567 CE LYS A 40 -3.387 -1.610 1.416 1.00 0.00 C ATOM 568 NZ LYS A 40 -4.660 -2.297 1.063 1.00 0.00 N ATOM 0 H LYS A 40 -7.003 0.649 3.619 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.270 -0.231 5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.634 0.356 2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.400 0.449 4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.900 -1.937 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.039 -2.011 3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.115 -1.255 3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.697 -2.903 2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.495 -0.538 1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.593 -1.956 0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.568 -2.738 0.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.867 -3.030 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.435 -1.604 1.045 1.00 0.00 H new ATOM 582 N ARG A 41 -4.118 2.179 5.904 1.00 0.00 N ATOM 583 CA ARG A 41 -3.845 3.554 6.302 1.00 0.00 C ATOM 584 C ARG A 41 -2.617 4.094 5.574 1.00 0.00 C ATOM 585 O ARG A 41 -1.677 3.352 5.290 1.00 0.00 O ATOM 586 CB ARG A 41 -3.631 3.637 7.815 1.00 0.00 C ATOM 587 CG ARG A 41 -3.649 5.058 8.354 1.00 0.00 C ATOM 588 CD ARG A 41 -4.974 5.383 9.026 1.00 0.00 C ATOM 589 NE ARG A 41 -5.274 6.813 8.984 1.00 0.00 N ATOM 590 CZ ARG A 41 -4.718 7.710 9.794 1.00 0.00 C ATOM 591 NH1 ARG A 41 -3.833 7.332 10.709 1.00 0.00 N ATOM 592 NH2 ARG A 41 -5.049 8.989 9.692 1.00 0.00 N ATOM 0 H ARG A 41 -3.368 1.522 6.119 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.707 4.164 6.030 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.406 3.057 8.316 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.676 3.174 8.065 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.836 5.187 9.069 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.472 5.760 7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.775 4.830 8.535 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.946 5.049 10.063 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.949 7.142 8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.576 6.349 10.794 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.411 8.025 11.327 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.730 9.285 8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.623 9.677 10.313 1.00 0.00 H new ATOM 606 N TYR A 42 -2.634 5.388 5.275 1.00 0.00 N ATOM 607 CA TYR A 42 -1.520 6.026 4.578 1.00 0.00 C ATOM 608 C TYR A 42 -0.212 5.828 5.339 1.00 0.00 C ATOM 609 O TYR A 42 0.786 5.378 4.774 1.00 0.00 O ATOM 610 CB TYR A 42 -1.796 7.518 4.393 1.00 0.00 C ATOM 611 CG TYR A 42 -0.942 8.165 3.327 1.00 0.00 C ATOM 612 CD1 TYR A 42 -1.317 8.122 1.990 1.00 0.00 C ATOM 613 CD2 TYR A 42 0.239 8.818 3.656 1.00 0.00 C ATOM 614 CE1 TYR A 42 -0.539 8.711 1.011 1.00 0.00 C ATOM 615 CE2 TYR A 42 1.022 9.409 2.683 1.00 0.00 C ATOM 616 CZ TYR A 42 0.629 9.353 1.363 1.00 0.00 C ATOM 617 OH TYR A 42 1.406 9.941 0.391 1.00 0.00 O ATOM 0 H TYR A 42 -3.405 6.016 5.503 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.421 5.557 3.599 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.847 7.655 4.138 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.629 8.030 5.341 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.232 7.620 1.711 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.550 8.865 4.689 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.845 8.668 -0.024 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.938 9.913 2.955 1.00 0.00 H new ATOM 0 HH TYR A 42 2.301 9.542 0.402 1.00 0.00 H new ATOM 627 N SER A 43 -0.225 6.169 6.624 1.00 0.00 N ATOM 628 CA SER A 43 0.960 6.029 7.465 1.00 0.00 C ATOM 629 C SER A 43 1.473 4.591 7.452 1.00 0.00 C ATOM 630 O SER A 43 2.668 4.346 7.625 1.00 0.00 O ATOM 631 CB SER A 43 0.644 6.461 8.900 1.00 0.00 C ATOM 632 OG SER A 43 1.309 7.669 9.227 1.00 0.00 O ATOM 0 H SER A 43 -1.042 6.544 7.106 1.00 0.00 H new ATOM 0 HA SER A 43 1.741 6.674 7.062 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.432 6.592 9.015 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.946 5.677 9.594 1.00 0.00 H new ATOM 0 HG SER A 43 1.090 7.924 10.147 1.00 0.00 H new ATOM 638 N GLU A 44 0.564 3.645 7.245 1.00 0.00 N ATOM 639 CA GLU A 44 0.927 2.233 7.208 1.00 0.00 C ATOM 640 C GLU A 44 1.713 1.909 5.942 1.00 0.00 C ATOM 641 O GLU A 44 2.573 1.028 5.943 1.00 0.00 O ATOM 642 CB GLU A 44 -0.328 1.360 7.284 1.00 0.00 C ATOM 643 CG GLU A 44 -0.613 0.824 8.678 1.00 0.00 C ATOM 644 CD GLU A 44 -1.435 -0.450 8.655 1.00 0.00 C ATOM 645 OE1 GLU A 44 -2.677 -0.353 8.558 1.00 0.00 O ATOM 646 OE2 GLU A 44 -0.838 -1.544 8.734 1.00 0.00 O ATOM 0 H GLU A 44 -0.429 3.830 7.100 1.00 0.00 H new ATOM 0 HA GLU A 44 1.559 2.021 8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.186 1.941 6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.219 0.521 6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.330 0.634 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.142 1.583 9.254 1.00 0.00 H new ATOM 653 N PHE A 45 1.414 2.627 4.865 1.00 0.00 N ATOM 654 CA PHE A 45 2.094 2.414 3.594 1.00 0.00 C ATOM 655 C PHE A 45 3.577 2.754 3.709 1.00 0.00 C ATOM 656 O PHE A 45 4.437 1.938 3.375 1.00 0.00 O ATOM 657 CB PHE A 45 1.443 3.256 2.493 1.00 0.00 C ATOM 658 CG PHE A 45 0.704 2.438 1.473 1.00 0.00 C ATOM 659 CD1 PHE A 45 1.384 1.828 0.431 1.00 0.00 C ATOM 660 CD2 PHE A 45 -0.670 2.280 1.557 1.00 0.00 C ATOM 661 CE1 PHE A 45 0.706 1.073 -0.507 1.00 0.00 C ATOM 662 CE2 PHE A 45 -1.353 1.527 0.620 1.00 0.00 C ATOM 663 CZ PHE A 45 -0.664 0.923 -0.413 1.00 0.00 C ATOM 0 H PHE A 45 0.706 3.361 4.847 1.00 0.00 H new ATOM 0 HA PHE A 45 2.002 1.360 3.332 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.752 3.965 2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.213 3.841 1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.455 1.944 0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.213 2.750 2.363 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.247 0.600 -1.313 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.424 1.411 0.696 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.195 0.334 -1.146 1.00 0.00 H new ATOM 673 N TRP A 46 3.872 3.960 4.186 1.00 0.00 N ATOM 674 CA TRP A 46 5.255 4.396 4.347 1.00 0.00 C ATOM 675 C TRP A 46 6.030 3.405 5.214 1.00 0.00 C ATOM 676 O TRP A 46 7.213 3.155 4.983 1.00 0.00 O ATOM 677 CB TRP A 46 5.311 5.796 4.968 1.00 0.00 C ATOM 678 CG TRP A 46 6.687 6.201 5.405 1.00 0.00 C ATOM 679 CD1 TRP A 46 7.207 6.111 6.665 1.00 0.00 C ATOM 680 CD2 TRP A 46 7.722 6.755 4.583 1.00 0.00 C ATOM 681 NE1 TRP A 46 8.500 6.574 6.675 1.00 0.00 N ATOM 682 CE2 TRP A 46 8.839 6.975 5.410 1.00 0.00 C ATOM 683 CE3 TRP A 46 7.812 7.085 3.227 1.00 0.00 C ATOM 684 CZ2 TRP A 46 10.031 7.510 4.927 1.00 0.00 C ATOM 685 CZ3 TRP A 46 8.995 7.616 2.748 1.00 0.00 C ATOM 686 CH2 TRP A 46 10.090 7.824 3.596 1.00 0.00 C ATOM 0 H TRP A 46 3.175 4.650 4.467 1.00 0.00 H new ATOM 0 HA TRP A 46 5.717 4.435 3.361 1.00 0.00 H new ATOM 0 HB2 TRP A 46 4.940 6.521 4.244 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.640 5.831 5.827 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.679 5.731 7.527 1.00 0.00 H new ATOM 0 HE1 TRP A 46 9.109 6.613 7.492 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.972 6.928 2.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.877 7.671 5.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 9.076 7.875 1.703 1.00 0.00 H new ATOM 0 HH2 TRP A 46 11.000 8.241 3.191 1.00 0.00 H new ATOM 697 N LYS A 47 5.350 2.843 6.208 1.00 0.00 N ATOM 698 CA LYS A 47 5.972 1.879 7.106 1.00 0.00 C ATOM 699 C LYS A 47 6.476 0.666 6.333 1.00 0.00 C ATOM 700 O LYS A 47 7.614 0.236 6.508 1.00 0.00 O ATOM 701 CB LYS A 47 4.977 1.436 8.181 1.00 0.00 C ATOM 702 CG LYS A 47 4.862 2.409 9.343 1.00 0.00 C ATOM 703 CD LYS A 47 3.739 2.016 10.290 1.00 0.00 C ATOM 704 CE LYS A 47 4.053 2.410 11.725 1.00 0.00 C ATOM 705 NZ LYS A 47 3.206 3.544 12.188 1.00 0.00 N ATOM 0 H LYS A 47 4.370 3.039 6.411 1.00 0.00 H new ATOM 0 HA LYS A 47 6.823 2.362 7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.995 1.310 7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.278 0.461 8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.805 2.439 9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.682 3.414 8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.812 2.495 9.975 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.576 0.940 10.235 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.899 1.552 12.379 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.104 2.687 11.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.451 3.782 13.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.371 4.371 11.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.204 3.272 12.137 1.00 0.00 H new ATOM 719 N LEU A 48 5.619 0.120 5.475 1.00 0.00 N ATOM 720 CA LEU A 48 5.976 -1.046 4.672 1.00 0.00 C ATOM 721 C LEU A 48 7.270 -0.809 3.898 1.00 0.00 C ATOM 722 O LEU A 48 8.066 -1.727 3.700 1.00 0.00 O ATOM 723 CB LEU A 48 4.845 -1.378 3.697 1.00 0.00 C ATOM 724 CG LEU A 48 4.950 -2.748 3.027 1.00 0.00 C ATOM 725 CD1 LEU A 48 4.935 -3.851 4.072 1.00 0.00 C ATOM 726 CD2 LEU A 48 3.819 -2.940 2.025 1.00 0.00 C ATOM 0 H LEU A 48 4.672 0.466 5.318 1.00 0.00 H new ATOM 0 HA LEU A 48 6.131 -1.886 5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.897 -1.324 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.818 -0.612 2.922 1.00 0.00 H new ATOM 0 HG LEU A 48 5.896 -2.799 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.010 -4.820 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.779 -3.722 4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.005 -3.803 4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.910 -3.921 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.861 -2.871 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.876 -2.166 1.259 1.00 0.00 H new ATOM 738 N LYS A 49 7.465 0.427 3.455 1.00 0.00 N ATOM 739 CA LYS A 49 8.654 0.792 2.692 1.00 0.00 C ATOM 740 C LYS A 49 9.938 0.490 3.464 1.00 0.00 C ATOM 741 O LYS A 49 10.647 -0.467 3.156 1.00 0.00 O ATOM 742 CB LYS A 49 8.606 2.277 2.320 1.00 0.00 C ATOM 743 CG LYS A 49 8.729 2.532 0.826 1.00 0.00 C ATOM 744 CD LYS A 49 9.142 3.966 0.538 1.00 0.00 C ATOM 745 CE LYS A 49 10.510 4.280 1.122 1.00 0.00 C ATOM 746 NZ LYS A 49 11.252 5.273 0.298 1.00 0.00 N ATOM 0 H LYS A 49 6.813 1.196 3.611 1.00 0.00 H new ATOM 0 HA LYS A 49 8.661 0.189 1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.668 2.703 2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.411 2.799 2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.462 1.848 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.776 2.322 0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.158 4.132 -0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.402 4.649 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.392 4.665 2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.093 3.362 1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.179 5.459 0.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.387 4.896 -0.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.709 6.158 0.249 1.00 0.00 H new ATOM 760 N THR A 50 10.237 1.322 4.458 1.00 0.00 N ATOM 761 CA THR A 50 11.446 1.159 5.268 1.00 0.00 C ATOM 762 C THR A 50 11.648 -0.292 5.703 1.00 0.00 C ATOM 763 O THR A 50 12.779 -0.777 5.755 1.00 0.00 O ATOM 764 CB THR A 50 11.401 2.078 6.495 1.00 0.00 C ATOM 765 OG1 THR A 50 12.279 1.614 7.506 1.00 0.00 O ATOM 766 CG2 THR A 50 10.021 2.205 7.109 1.00 0.00 C ATOM 0 H THR A 50 9.658 2.119 4.724 1.00 0.00 H new ATOM 0 HA THR A 50 12.295 1.440 4.644 1.00 0.00 H new ATOM 0 HB THR A 50 11.705 3.057 6.125 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.236 2.216 8.278 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.066 2.870 7.972 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.331 2.614 6.371 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.672 1.222 7.426 1.00 0.00 H new ATOM 774 N ARG A 51 10.557 -0.985 6.008 1.00 0.00 N ATOM 775 CA ARG A 51 10.641 -2.381 6.428 1.00 0.00 C ATOM 776 C ARG A 51 11.329 -3.218 5.358 1.00 0.00 C ATOM 777 O ARG A 51 12.405 -3.770 5.580 1.00 0.00 O ATOM 778 CB ARG A 51 9.248 -2.942 6.695 1.00 0.00 C ATOM 779 CG ARG A 51 8.404 -2.069 7.604 1.00 0.00 C ATOM 780 CD ARG A 51 8.188 -2.716 8.962 1.00 0.00 C ATOM 781 NE ARG A 51 7.795 -1.742 9.977 1.00 0.00 N ATOM 782 CZ ARG A 51 7.742 -2.009 11.281 1.00 0.00 C ATOM 783 NH1 ARG A 51 8.058 -3.217 11.730 1.00 0.00 N ATOM 784 NH2 ARG A 51 7.372 -1.066 12.136 1.00 0.00 N ATOM 0 H ARG A 51 9.610 -0.608 5.973 1.00 0.00 H new ATOM 0 HA ARG A 51 11.226 -2.424 7.347 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.729 -3.071 5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.344 -3.931 7.142 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.890 -1.102 7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.439 -1.879 7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.419 -3.484 8.879 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.105 -3.216 9.275 1.00 0.00 H new ATOM 0 HE ARG A 51 7.546 -0.802 9.669 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.343 -3.946 11.076 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.016 -3.417 12.729 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.128 -0.136 11.795 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.331 -1.270 13.134 1.00 0.00 H new ATOM 798 N LEU A 52 10.696 -3.299 4.193 1.00 0.00 N ATOM 799 CA LEU A 52 11.238 -4.062 3.071 1.00 0.00 C ATOM 800 C LEU A 52 12.713 -3.742 2.855 1.00 0.00 C ATOM 801 O LEU A 52 13.502 -4.613 2.491 1.00 0.00 O ATOM 802 CB LEU A 52 10.459 -3.757 1.789 1.00 0.00 C ATOM 803 CG LEU A 52 8.962 -4.058 1.848 1.00 0.00 C ATOM 804 CD1 LEU A 52 8.233 -3.346 0.720 1.00 0.00 C ATOM 805 CD2 LEU A 52 8.717 -5.558 1.784 1.00 0.00 C ATOM 0 H LEU A 52 9.804 -2.844 3.999 1.00 0.00 H new ATOM 0 HA LEU A 52 11.138 -5.121 3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.592 -2.703 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.896 -4.331 0.972 1.00 0.00 H new ATOM 0 HG LEU A 52 8.571 -3.688 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.168 -3.571 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.382 -2.270 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.625 -3.686 -0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.646 -5.754 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.121 -5.953 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.209 -6.043 2.627 1.00 0.00 H new ATOM 817 N GLU A 53 13.077 -2.484 3.080 1.00 0.00 N ATOM 818 CA GLU A 53 14.457 -2.047 2.908 1.00 0.00 C ATOM 819 C GLU A 53 15.389 -2.809 3.845 1.00 0.00 C ATOM 820 O GLU A 53 16.461 -3.260 3.440 1.00 0.00 O ATOM 821 CB GLU A 53 14.577 -0.544 3.162 1.00 0.00 C ATOM 822 CG GLU A 53 14.416 0.298 1.906 1.00 0.00 C ATOM 823 CD GLU A 53 14.945 1.708 2.078 1.00 0.00 C ATOM 824 OE1 GLU A 53 15.078 2.156 3.237 1.00 0.00 O ATOM 825 OE2 GLU A 53 15.226 2.367 1.055 1.00 0.00 O ATOM 0 H GLU A 53 12.436 -1.750 3.382 1.00 0.00 H new ATOM 0 HA GLU A 53 14.751 -2.257 1.880 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.822 -0.245 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.550 -0.335 3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.939 -0.184 1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.361 0.340 1.634 1.00 0.00 H new ATOM 832 N ARG A 54 14.974 -2.950 5.100 1.00 0.00 N ATOM 833 CA ARG A 54 15.771 -3.658 6.096 1.00 0.00 C ATOM 834 C ARG A 54 15.420 -5.144 6.137 1.00 0.00 C ATOM 835 O ARG A 54 16.170 -5.950 6.687 1.00 0.00 O ATOM 836 CB ARG A 54 15.563 -3.036 7.478 1.00 0.00 C ATOM 837 CG ARG A 54 15.614 -1.517 7.474 1.00 0.00 C ATOM 838 CD ARG A 54 15.955 -0.968 8.850 1.00 0.00 C ATOM 839 NE ARG A 54 15.021 -1.433 9.872 1.00 0.00 N ATOM 840 CZ ARG A 54 15.007 -0.981 11.125 1.00 0.00 C ATOM 841 NH1 ARG A 54 15.874 -0.054 11.513 1.00 0.00 N ATOM 842 NH2 ARG A 54 14.124 -1.459 11.992 1.00 0.00 N ATOM 0 H ARG A 54 14.090 -2.583 5.452 1.00 0.00 H new ATOM 0 HA ARG A 54 16.819 -3.565 5.811 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.599 -3.358 7.871 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.327 -3.415 8.157 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.357 -1.179 6.752 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.652 -1.120 7.151 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.967 -1.269 9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.945 0.121 8.818 1.00 0.00 H new ATOM 0 HE ARG A 54 14.339 -2.146 9.611 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.556 0.316 10.850 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.859 0.288 12.474 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.456 -2.172 11.699 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.113 -1.113 12.952 1.00 0.00 H new ATOM 856 N ASP A 55 14.278 -5.504 5.556 1.00 0.00 N ATOM 857 CA ASP A 55 13.837 -6.893 5.535 1.00 0.00 C ATOM 858 C ASP A 55 14.398 -7.619 4.318 1.00 0.00 C ATOM 859 O ASP A 55 14.733 -8.802 4.386 1.00 0.00 O ATOM 860 CB ASP A 55 12.309 -6.966 5.529 1.00 0.00 C ATOM 861 CG ASP A 55 11.778 -8.043 6.456 1.00 0.00 C ATOM 862 OD1 ASP A 55 11.723 -9.216 6.032 1.00 0.00 O ATOM 863 OD2 ASP A 55 11.418 -7.712 7.605 1.00 0.00 O ATOM 0 H ASP A 55 13.643 -4.853 5.094 1.00 0.00 H new ATOM 0 HA ASP A 55 14.211 -7.382 6.434 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.901 -6.000 5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.961 -7.160 4.514 1.00 0.00 H new ATOM 868 N VAL A 56 14.502 -6.900 3.206 1.00 0.00 N ATOM 869 CA VAL A 56 15.027 -7.468 1.973 1.00 0.00 C ATOM 870 C VAL A 56 16.522 -7.207 1.857 1.00 0.00 C ATOM 871 O VAL A 56 17.263 -8.006 1.283 1.00 0.00 O ATOM 872 CB VAL A 56 14.323 -6.877 0.738 1.00 0.00 C ATOM 873 CG1 VAL A 56 14.768 -7.592 -0.526 1.00 0.00 C ATOM 874 CG2 VAL A 56 12.813 -6.947 0.900 1.00 0.00 C ATOM 0 H VAL A 56 14.228 -5.920 3.135 1.00 0.00 H new ATOM 0 HA VAL A 56 14.841 -8.541 2.009 1.00 0.00 H new ATOM 0 HB VAL A 56 14.606 -5.828 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.259 -7.159 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 56 15.845 -7.480 -0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.519 -8.651 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.332 -6.525 0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.507 -7.987 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.515 -6.380 1.782 1.00 0.00 H new ATOM 884 N GLY A 57 16.955 -6.079 2.405 1.00 0.00 N ATOM 885 CA GLY A 57 18.359 -5.721 2.354 1.00 0.00 C ATOM 886 C GLY A 57 18.684 -4.816 1.180 1.00 0.00 C ATOM 887 O GLY A 57 19.757 -4.218 1.128 1.00 0.00 O ATOM 0 H GLY A 57 16.358 -5.405 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 57 18.638 -5.222 3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 57 18.960 -6.628 2.287 1.00 0.00 H new ATOM 891 N SER A 58 17.753 -4.715 0.234 1.00 0.00 N ATOM 892 CA SER A 58 17.946 -3.878 -0.943 1.00 0.00 C ATOM 893 C SER A 58 17.165 -2.574 -0.813 1.00 0.00 C ATOM 894 O SER A 58 16.371 -2.406 0.112 1.00 0.00 O ATOM 895 CB SER A 58 17.509 -4.625 -2.204 1.00 0.00 C ATOM 896 OG SER A 58 18.377 -4.346 -3.289 1.00 0.00 O ATOM 0 H SER A 58 16.858 -5.203 0.262 1.00 0.00 H new ATOM 0 HA SER A 58 19.007 -3.641 -1.021 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.498 -5.697 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.491 -4.338 -2.466 1.00 0.00 H new ATOM 0 HG SER A 58 18.077 -4.837 -4.082 1.00 0.00 H new ATOM 902 N THR A 59 17.392 -1.657 -1.747 1.00 0.00 N ATOM 903 CA THR A 59 16.704 -0.371 -1.735 1.00 0.00 C ATOM 904 C THR A 59 15.390 -0.452 -2.505 1.00 0.00 C ATOM 905 O THR A 59 15.206 -1.328 -3.350 1.00 0.00 O ATOM 906 CB THR A 59 17.600 0.718 -2.329 1.00 0.00 C ATOM 907 OG1 THR A 59 17.070 2.004 -2.062 1.00 0.00 O ATOM 908 CG2 THR A 59 17.781 0.599 -3.827 1.00 0.00 C ATOM 0 H THR A 59 18.046 -1.780 -2.520 1.00 0.00 H new ATOM 0 HA THR A 59 16.479 -0.115 -0.700 1.00 0.00 H new ATOM 0 HB THR A 59 18.571 0.582 -1.852 1.00 0.00 H new ATOM 0 HG1 THR A 59 17.658 2.687 -2.448 1.00 0.00 H new ATOM 0 HG21 THR A 59 18.427 1.403 -4.180 1.00 0.00 H new ATOM 0 HG22 THR A 59 18.236 -0.363 -4.063 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.810 0.671 -4.318 1.00 0.00 H new ATOM 916 N ILE A 60 14.478 0.468 -2.207 1.00 0.00 N ATOM 917 CA ILE A 60 13.180 0.500 -2.871 1.00 0.00 C ATOM 918 C ILE A 60 13.095 1.669 -3.853 1.00 0.00 C ATOM 919 O ILE A 60 13.328 2.819 -3.478 1.00 0.00 O ATOM 920 CB ILE A 60 12.031 0.601 -1.847 1.00 0.00 C ATOM 921 CG1 ILE A 60 10.684 0.382 -2.537 1.00 0.00 C ATOM 922 CG2 ILE A 60 12.059 1.947 -1.136 1.00 0.00 C ATOM 923 CD1 ILE A 60 10.127 -1.012 -2.338 1.00 0.00 C ATOM 0 H ILE A 60 14.614 1.201 -1.511 1.00 0.00 H new ATOM 0 HA ILE A 60 13.076 -0.434 -3.423 1.00 0.00 H new ATOM 0 HB ILE A 60 12.167 -0.179 -1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.967 1.110 -2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 60 10.796 0.572 -3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.240 1.997 -0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 60 13.008 2.062 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 60 11.949 2.747 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.171 -1.099 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.825 -1.744 -2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.984 -1.198 -1.274 1.00 0.00 H new ATOM 935 N PRO A 61 12.769 1.394 -5.131 1.00 0.00 N ATOM 936 CA PRO A 61 12.668 2.425 -6.161 1.00 0.00 C ATOM 937 C PRO A 61 11.284 3.070 -6.231 1.00 0.00 C ATOM 938 O PRO A 61 10.836 3.476 -7.305 1.00 0.00 O ATOM 939 CB PRO A 61 12.948 1.637 -7.436 1.00 0.00 C ATOM 940 CG PRO A 61 12.383 0.281 -7.169 1.00 0.00 C ATOM 941 CD PRO A 61 12.487 0.052 -5.679 1.00 0.00 C ATOM 0 HA PRO A 61 13.347 3.258 -5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.475 2.101 -8.301 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.017 1.588 -7.646 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.345 0.223 -7.498 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.935 -0.483 -7.717 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.563 -0.359 -5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.283 -0.653 -5.438 1.00 0.00 H new ATOM 949 N TYR A 62 10.610 3.166 -5.089 1.00 0.00 N ATOM 950 CA TYR A 62 9.283 3.765 -5.039 1.00 0.00 C ATOM 951 C TYR A 62 9.350 5.196 -4.518 1.00 0.00 C ATOM 952 O TYR A 62 9.949 5.462 -3.477 1.00 0.00 O ATOM 953 CB TYR A 62 8.358 2.928 -4.154 1.00 0.00 C ATOM 954 CG TYR A 62 7.953 1.612 -4.779 1.00 0.00 C ATOM 955 CD1 TYR A 62 7.573 1.546 -6.113 1.00 0.00 C ATOM 956 CD2 TYR A 62 7.953 0.439 -4.038 1.00 0.00 C ATOM 957 CE1 TYR A 62 7.205 0.347 -6.690 1.00 0.00 C ATOM 958 CE2 TYR A 62 7.586 -0.765 -4.608 1.00 0.00 C ATOM 959 CZ TYR A 62 7.213 -0.807 -5.933 1.00 0.00 C ATOM 960 OH TYR A 62 6.847 -2.004 -6.504 1.00 0.00 O ATOM 0 H TYR A 62 10.960 2.838 -4.189 1.00 0.00 H new ATOM 0 HA TYR A 62 8.883 3.787 -6.053 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.856 2.732 -3.204 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.461 3.506 -3.930 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.565 2.447 -6.709 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.245 0.467 -2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.912 0.312 -7.729 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.592 -1.669 -4.017 1.00 0.00 H new ATOM 0 HH TYR A 62 7.650 -2.520 -6.725 1.00 0.00 H new ATOM 970 N ASP A 63 8.732 6.115 -5.253 1.00 0.00 N ATOM 971 CA ASP A 63 8.722 7.521 -4.869 1.00 0.00 C ATOM 972 C ASP A 63 7.660 7.789 -3.807 1.00 0.00 C ATOM 973 O ASP A 63 6.462 7.721 -4.081 1.00 0.00 O ATOM 974 CB ASP A 63 8.469 8.405 -6.092 1.00 0.00 C ATOM 975 CG ASP A 63 7.193 8.032 -6.823 1.00 0.00 C ATOM 976 OD1 ASP A 63 6.639 6.948 -6.539 1.00 0.00 O ATOM 977 OD2 ASP A 63 6.748 8.824 -7.680 1.00 0.00 O ATOM 0 H ASP A 63 8.232 5.911 -6.118 1.00 0.00 H new ATOM 0 HA ASP A 63 9.699 7.762 -4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.413 9.447 -5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.313 8.323 -6.776 1.00 0.00 H new ATOM 982 N PHE A 64 8.109 8.097 -2.594 1.00 0.00 N ATOM 983 CA PHE A 64 7.197 8.378 -1.490 1.00 0.00 C ATOM 984 C PHE A 64 7.642 9.622 -0.722 1.00 0.00 C ATOM 985 O PHE A 64 8.501 9.543 0.156 1.00 0.00 O ATOM 986 CB PHE A 64 7.125 7.179 -0.543 1.00 0.00 C ATOM 987 CG PHE A 64 5.775 6.997 0.091 1.00 0.00 C ATOM 988 CD1 PHE A 64 5.200 8.014 0.835 1.00 0.00 C ATOM 989 CD2 PHE A 64 5.079 5.807 -0.060 1.00 0.00 C ATOM 990 CE1 PHE A 64 3.959 7.849 1.419 1.00 0.00 C ATOM 991 CE2 PHE A 64 3.838 5.636 0.522 1.00 0.00 C ATOM 992 CZ PHE A 64 3.276 6.659 1.262 1.00 0.00 C ATOM 0 H PHE A 64 9.098 8.158 -2.351 1.00 0.00 H new ATOM 0 HA PHE A 64 6.207 8.563 -1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.384 6.275 -1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.873 7.300 0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.728 8.948 0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.512 5.005 -0.639 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.523 8.650 1.998 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.307 4.704 0.399 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.305 6.528 1.716 1.00 0.00 H new ATOM 1002 N PRO A 65 7.062 10.792 -1.043 1.00 0.00 N ATOM 1003 CA PRO A 65 7.407 12.052 -0.378 1.00 0.00 C ATOM 1004 C PRO A 65 6.890 12.114 1.056 1.00 0.00 C ATOM 1005 O PRO A 65 5.683 12.072 1.294 1.00 0.00 O ATOM 1006 CB PRO A 65 6.716 13.110 -1.241 1.00 0.00 C ATOM 1007 CG PRO A 65 5.568 12.395 -1.863 1.00 0.00 C ATOM 1008 CD PRO A 65 6.028 10.980 -2.080 1.00 0.00 C ATOM 0 HA PRO A 65 8.486 12.186 -0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.379 13.954 -0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.392 13.508 -1.998 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.692 12.425 -1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.283 12.861 -2.806 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.210 10.269 -1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.434 10.839 -3.082 1.00 0.00 H new ATOM 1258 N TYR A 79 -7.110 15.702 8.596 1.00 0.00 N ATOM 1259 CA TYR A 79 -7.016 14.330 8.110 1.00 0.00 C ATOM 1260 C TYR A 79 -8.273 13.935 7.340 1.00 0.00 C ATOM 1261 O TYR A 79 -8.227 13.082 6.453 1.00 0.00 O ATOM 1262 CB TYR A 79 -6.793 13.366 9.277 1.00 0.00 C ATOM 1263 CG TYR A 79 -7.937 13.330 10.265 1.00 0.00 C ATOM 1264 CD1 TYR A 79 -8.041 14.281 11.272 1.00 0.00 C ATOM 1265 CD2 TYR A 79 -8.912 12.343 10.190 1.00 0.00 C ATOM 1266 CE1 TYR A 79 -9.084 14.250 12.178 1.00 0.00 C ATOM 1267 CE2 TYR A 79 -9.958 12.306 11.092 1.00 0.00 C ATOM 1268 CZ TYR A 79 -10.041 13.261 12.085 1.00 0.00 C ATOM 1269 OH TYR A 79 -11.081 13.230 12.987 1.00 0.00 O ATOM 0 HA TYR A 79 -6.165 14.271 7.432 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.634 12.363 8.882 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.881 13.650 9.802 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.294 15.058 11.348 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.851 11.593 9.415 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.150 14.997 12.955 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.708 11.532 11.020 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.818 12.706 13.772 1.00 0.00 H new ATOM 1279 N ASP A 80 -9.396 14.561 7.683 1.00 0.00 N ATOM 1280 CA ASP A 80 -10.664 14.273 7.021 1.00 0.00 C ATOM 1281 C ASP A 80 -10.994 15.346 5.988 1.00 0.00 C ATOM 1282 O ASP A 80 -12.161 15.654 5.750 1.00 0.00 O ATOM 1283 CB ASP A 80 -11.789 14.179 8.052 1.00 0.00 C ATOM 1284 CG ASP A 80 -11.990 15.477 8.810 1.00 0.00 C ATOM 1285 OD1 ASP A 80 -11.046 16.293 8.849 1.00 0.00 O ATOM 1286 OD2 ASP A 80 -13.091 15.676 9.366 1.00 0.00 O ATOM 0 H ASP A 80 -9.453 15.270 8.414 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.569 13.316 6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.717 13.908 7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.564 13.380 8.759 1.00 0.00 H new ATOM 1291 N ASP A 81 -9.958 15.910 5.376 1.00 0.00 N ATOM 1292 CA ASP A 81 -10.138 16.948 4.367 1.00 0.00 C ATOM 1293 C ASP A 81 -10.118 16.350 2.961 1.00 0.00 C ATOM 1294 O ASP A 81 -9.108 15.789 2.534 1.00 0.00 O ATOM 1295 CB ASP A 81 -9.041 18.007 4.496 1.00 0.00 C ATOM 1296 CG ASP A 81 -9.529 19.393 4.124 1.00 0.00 C ATOM 1297 OD1 ASP A 81 -9.844 19.612 2.935 1.00 0.00 O ATOM 1298 OD2 ASP A 81 -9.598 20.260 5.020 1.00 0.00 O ATOM 0 H ASP A 81 -8.985 15.666 5.561 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.109 17.415 4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.670 18.018 5.521 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.201 17.736 3.856 1.00 0.00 H new ATOM 1303 N PRO A 82 -11.235 16.459 2.216 1.00 0.00 N ATOM 1304 CA PRO A 82 -11.328 15.923 0.854 1.00 0.00 C ATOM 1305 C PRO A 82 -10.157 16.358 -0.021 1.00 0.00 C ATOM 1306 O PRO A 82 -9.706 15.611 -0.890 1.00 0.00 O ATOM 1307 CB PRO A 82 -12.638 16.511 0.328 1.00 0.00 C ATOM 1308 CG PRO A 82 -13.460 16.747 1.548 1.00 0.00 C ATOM 1309 CD PRO A 82 -12.490 17.111 2.639 1.00 0.00 C ATOM 0 HA PRO A 82 -11.301 14.833 0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.465 17.438 -0.219 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.134 15.824 -0.358 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -14.181 17.548 1.384 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -14.029 15.856 1.813 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.371 18.191 2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.824 16.747 3.611 1.00 0.00 H new ATOM 1317 N GLU A 83 -9.668 17.571 0.214 1.00 0.00 N ATOM 1318 CA GLU A 83 -8.549 18.106 -0.553 1.00 0.00 C ATOM 1319 C GLU A 83 -7.315 17.221 -0.400 1.00 0.00 C ATOM 1320 O GLU A 83 -6.575 16.998 -1.358 1.00 0.00 O ATOM 1321 CB GLU A 83 -8.231 19.535 -0.103 1.00 0.00 C ATOM 1322 CG GLU A 83 -8.272 20.550 -1.234 1.00 0.00 C ATOM 1323 CD GLU A 83 -8.353 21.979 -0.733 1.00 0.00 C ATOM 1324 OE1 GLU A 83 -8.871 22.187 0.384 1.00 0.00 O ATOM 1325 OE2 GLU A 83 -7.900 22.889 -1.458 1.00 0.00 O ATOM 0 H GLU A 83 -10.029 18.202 0.929 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.834 18.122 -1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.943 19.832 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.242 19.552 0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.382 20.436 -1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.131 20.343 -1.872 1.00 0.00 H new ATOM 1332 N MET A 84 -7.103 16.717 0.811 1.00 0.00 N ATOM 1333 CA MET A 84 -5.963 15.853 1.091 1.00 0.00 C ATOM 1334 C MET A 84 -6.300 14.397 0.788 1.00 0.00 C ATOM 1335 O MET A 84 -5.444 13.628 0.352 1.00 0.00 O ATOM 1336 CB MET A 84 -5.535 15.997 2.553 1.00 0.00 C ATOM 1337 CG MET A 84 -4.169 15.399 2.850 1.00 0.00 C ATOM 1338 SD MET A 84 -4.275 13.812 3.700 1.00 0.00 S ATOM 1339 CE MET A 84 -5.294 14.249 5.106 1.00 0.00 C ATOM 0 H MET A 84 -7.706 16.892 1.615 1.00 0.00 H new ATOM 0 HA MET A 84 -5.138 16.158 0.447 1.00 0.00 H new ATOM 0 HB2 MET A 84 -5.524 17.054 2.817 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.278 15.517 3.189 1.00 0.00 H new ATOM 0 HG2 MET A 84 -3.622 15.271 1.916 1.00 0.00 H new ATOM 0 HG3 MET A 84 -3.596 16.097 3.461 1.00 0.00 H new ATOM 0 HE1 MET A 84 -4.964 13.691 5.982 1.00 0.00 H new ATOM 0 HE2 MET A 84 -5.205 15.318 5.302 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.334 14.005 4.891 1.00 0.00 H new ATOM 1349 N ILE A 85 -7.556 14.028 1.021 1.00 0.00 N ATOM 1350 CA ILE A 85 -8.013 12.667 0.772 1.00 0.00 C ATOM 1351 C ILE A 85 -7.967 12.340 -0.720 1.00 0.00 C ATOM 1352 O ILE A 85 -7.767 11.188 -1.107 1.00 0.00 O ATOM 1353 CB ILE A 85 -9.448 12.455 1.315 1.00 0.00 C ATOM 1354 CG1 ILE A 85 -9.421 12.308 2.839 1.00 0.00 C ATOM 1355 CG2 ILE A 85 -10.109 11.240 0.675 1.00 0.00 C ATOM 1356 CD1 ILE A 85 -10.144 13.419 3.568 1.00 0.00 C ATOM 0 H ILE A 85 -8.275 14.654 1.382 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.338 11.992 1.299 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.040 13.332 1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.871 11.353 3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.384 12.279 3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -11.115 11.119 1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.165 11.382 -0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.521 10.349 0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.083 13.249 4.643 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.680 14.375 3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.190 13.435 3.262 1.00 0.00 H new ATOM 1368 N ASP A 86 -8.154 13.360 -1.551 1.00 0.00 N ATOM 1369 CA ASP A 86 -8.136 13.181 -3.001 1.00 0.00 C ATOM 1370 C ASP A 86 -6.813 12.574 -3.464 1.00 0.00 C ATOM 1371 O ASP A 86 -6.784 11.474 -4.015 1.00 0.00 O ATOM 1372 CB ASP A 86 -8.372 14.520 -3.702 1.00 0.00 C ATOM 1373 CG ASP A 86 -9.741 14.600 -4.349 1.00 0.00 C ATOM 1374 OD1 ASP A 86 -10.635 13.829 -3.943 1.00 0.00 O ATOM 1375 OD2 ASP A 86 -9.919 15.434 -5.261 1.00 0.00 O ATOM 0 H ASP A 86 -8.320 14.319 -1.247 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.938 12.492 -3.266 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.267 15.329 -2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.605 14.670 -4.462 1.00 0.00 H new ATOM 1380 N GLU A 87 -5.721 13.298 -3.238 1.00 0.00 N ATOM 1381 CA GLU A 87 -4.398 12.828 -3.635 1.00 0.00 C ATOM 1382 C GLU A 87 -3.940 11.676 -2.748 1.00 0.00 C ATOM 1383 O GLU A 87 -3.253 10.764 -3.204 1.00 0.00 O ATOM 1384 CB GLU A 87 -3.384 13.973 -3.568 1.00 0.00 C ATOM 1385 CG GLU A 87 -3.280 14.613 -2.193 1.00 0.00 C ATOM 1386 CD GLU A 87 -2.088 15.543 -2.073 1.00 0.00 C ATOM 1387 OE1 GLU A 87 -1.856 16.334 -3.011 1.00 0.00 O ATOM 1388 OE2 GLU A 87 -1.387 15.479 -1.041 1.00 0.00 O ATOM 0 H GLU A 87 -5.726 14.211 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.462 12.468 -4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.404 13.597 -3.860 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.662 14.736 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.194 15.170 -1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.204 13.831 -1.437 1.00 0.00 H new ATOM 1395 N ARG A 88 -4.330 11.724 -1.478 1.00 0.00 N ATOM 1396 CA ARG A 88 -3.962 10.681 -0.525 1.00 0.00 C ATOM 1397 C ARG A 88 -4.390 9.304 -1.031 1.00 0.00 C ATOM 1398 O ARG A 88 -3.820 8.285 -0.642 1.00 0.00 O ATOM 1399 CB ARG A 88 -4.604 10.961 0.835 1.00 0.00 C ATOM 1400 CG ARG A 88 -4.289 9.910 1.887 1.00 0.00 C ATOM 1401 CD ARG A 88 -4.692 10.377 3.277 1.00 0.00 C ATOM 1402 NE ARG A 88 -4.666 9.289 4.250 1.00 0.00 N ATOM 1403 CZ ARG A 88 -4.643 9.473 5.568 1.00 0.00 C ATOM 1404 NH1 ARG A 88 -4.642 10.699 6.074 1.00 0.00 N ATOM 1405 NH2 ARG A 88 -4.621 8.427 6.383 1.00 0.00 N ATOM 0 H ARG A 88 -4.900 12.473 -1.085 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.877 10.685 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.266 11.933 1.193 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.685 11.025 0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.812 8.984 1.647 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.222 9.686 1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.018 11.170 3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.694 10.805 3.239 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.665 8.331 3.899 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.659 11.507 5.452 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.624 10.833 7.085 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.622 7.482 6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.603 8.568 7.393 1.00 0.00 H new ATOM 1419 N ARG A 89 -5.397 9.284 -1.900 1.00 0.00 N ATOM 1420 CA ARG A 89 -5.901 8.035 -2.458 1.00 0.00 C ATOM 1421 C ARG A 89 -4.912 7.444 -3.461 1.00 0.00 C ATOM 1422 O ARG A 89 -4.380 6.355 -3.252 1.00 0.00 O ATOM 1423 CB ARG A 89 -7.254 8.269 -3.135 1.00 0.00 C ATOM 1424 CG ARG A 89 -7.841 7.021 -3.778 1.00 0.00 C ATOM 1425 CD ARG A 89 -9.225 6.701 -3.230 1.00 0.00 C ATOM 1426 NE ARG A 89 -10.055 7.896 -3.100 1.00 0.00 N ATOM 1427 CZ ARG A 89 -10.572 8.555 -4.135 1.00 0.00 C ATOM 1428 NH1 ARG A 89 -10.345 8.141 -5.375 1.00 0.00 N ATOM 1429 NH2 ARG A 89 -11.316 9.633 -3.928 1.00 0.00 N ATOM 0 H ARG A 89 -5.879 10.119 -2.232 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.026 7.324 -1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.958 8.652 -2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.140 9.040 -3.897 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.901 7.162 -4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.176 6.175 -3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.719 5.987 -3.889 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.127 6.221 -2.256 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.250 8.246 -2.162 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.772 7.314 -5.540 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.744 8.650 -6.164 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.492 9.956 -2.977 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.713 10.139 -4.720 1.00 0.00 H new ATOM 1443 N ILE A 90 -4.677 8.167 -4.551 1.00 0.00 N ATOM 1444 CA ILE A 90 -3.759 7.708 -5.588 1.00 0.00 C ATOM 1445 C ILE A 90 -2.362 7.460 -5.032 1.00 0.00 C ATOM 1446 O ILE A 90 -2.047 7.854 -3.908 1.00 0.00 O ATOM 1447 CB ILE A 90 -3.657 8.719 -6.745 1.00 0.00 C ATOM 1448 CG1 ILE A 90 -3.448 10.138 -6.201 1.00 0.00 C ATOM 1449 CG2 ILE A 90 -4.901 8.642 -7.616 1.00 0.00 C ATOM 1450 CD1 ILE A 90 -3.611 11.221 -7.244 1.00 0.00 C ATOM 0 H ILE A 90 -5.109 9.072 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.169 6.771 -5.964 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.793 8.468 -7.361 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.157 10.315 -5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.449 10.209 -5.770 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.819 9.361 -8.431 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.996 7.637 -8.027 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.781 8.873 -7.015 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.448 12.196 -6.785 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.884 11.070 -8.042 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.618 11.179 -7.658 1.00 0.00 H new ATOM 1462 N GLY A 91 -1.528 6.805 -5.832 1.00 0.00 N ATOM 1463 CA GLY A 91 -0.168 6.513 -5.415 1.00 0.00 C ATOM 1464 C GLY A 91 -0.037 5.166 -4.730 1.00 0.00 C ATOM 1465 O GLY A 91 0.897 4.413 -5.002 1.00 0.00 O ATOM 0 H GLY A 91 -1.770 6.470 -6.765 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.487 6.537 -6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.175 7.295 -4.737 1.00 0.00 H new ATOM 1469 N LEU A 92 -0.972 4.864 -3.836 1.00 0.00 N ATOM 1470 CA LEU A 92 -0.953 3.601 -3.105 1.00 0.00 C ATOM 1471 C LEU A 92 -0.984 2.408 -4.056 1.00 0.00 C ATOM 1472 O LEU A 92 -0.156 1.503 -3.959 1.00 0.00 O ATOM 1473 CB LEU A 92 -2.142 3.530 -2.143 1.00 0.00 C ATOM 1474 CG LEU A 92 -2.228 4.677 -1.134 1.00 0.00 C ATOM 1475 CD1 LEU A 92 -3.399 4.467 -0.187 1.00 0.00 C ATOM 1476 CD2 LEU A 92 -0.926 4.801 -0.357 1.00 0.00 C ATOM 0 H LEU A 92 -1.753 5.476 -3.600 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.024 3.558 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.062 3.511 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.092 2.588 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.392 5.606 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.445 5.292 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.326 4.428 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.266 3.530 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.005 5.622 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.732 3.872 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.107 4.999 -1.049 1.00 0.00 H new ATOM 1488 N GLU A 93 -1.949 2.410 -4.971 1.00 0.00 N ATOM 1489 CA GLU A 93 -2.095 1.325 -5.936 1.00 0.00 C ATOM 1490 C GLU A 93 -0.805 1.100 -6.723 1.00 0.00 C ATOM 1491 O GLU A 93 -0.341 -0.031 -6.861 1.00 0.00 O ATOM 1492 CB GLU A 93 -3.243 1.626 -6.900 1.00 0.00 C ATOM 1493 CG GLU A 93 -3.117 2.971 -7.596 1.00 0.00 C ATOM 1494 CD GLU A 93 -4.458 3.540 -8.014 1.00 0.00 C ATOM 1495 OE1 GLU A 93 -5.443 3.345 -7.272 1.00 0.00 O ATOM 1496 OE2 GLU A 93 -4.524 4.181 -9.085 1.00 0.00 O ATOM 0 H GLU A 93 -2.642 3.152 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.317 0.414 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.289 0.840 -7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.184 1.597 -6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.620 3.675 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.483 2.862 -8.476 1.00 0.00 H new ATOM 1503 N ARG A 94 -0.235 2.183 -7.240 1.00 0.00 N ATOM 1504 CA ARG A 94 0.997 2.103 -8.019 1.00 0.00 C ATOM 1505 C ARG A 94 2.114 1.433 -7.223 1.00 0.00 C ATOM 1506 O ARG A 94 2.889 0.645 -7.765 1.00 0.00 O ATOM 1507 CB ARG A 94 1.438 3.501 -8.456 1.00 0.00 C ATOM 1508 CG ARG A 94 0.679 4.026 -9.664 1.00 0.00 C ATOM 1509 CD ARG A 94 0.242 5.469 -9.468 1.00 0.00 C ATOM 1510 NE ARG A 94 1.112 6.406 -10.173 1.00 0.00 N ATOM 1511 CZ ARG A 94 0.770 7.660 -10.465 1.00 0.00 C ATOM 1512 NH1 ARG A 94 -0.420 8.129 -10.114 1.00 0.00 N ATOM 1513 NH2 ARG A 94 1.622 8.445 -11.110 1.00 0.00 N ATOM 0 H ARG A 94 -0.606 3.127 -7.134 1.00 0.00 H new ATOM 0 HA ARG A 94 0.795 1.496 -8.901 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.304 4.192 -7.624 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.503 3.482 -8.686 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.310 3.954 -10.550 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.196 3.402 -9.844 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.782 5.589 -9.822 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.241 5.706 -8.404 1.00 0.00 H new ATOM 0 HE ARG A 94 2.036 6.081 -10.459 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.079 7.529 -9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.676 9.090 -10.340 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.538 8.089 -11.382 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.361 9.405 -11.334 1.00 0.00 H new ATOM 1527 N PHE A 95 2.193 1.753 -5.937 1.00 0.00 N ATOM 1528 CA PHE A 95 3.218 1.187 -5.067 1.00 0.00 C ATOM 1529 C PHE A 95 2.962 -0.296 -4.798 1.00 0.00 C ATOM 1530 O PHE A 95 3.874 -1.032 -4.422 1.00 0.00 O ATOM 1531 CB PHE A 95 3.269 1.957 -3.745 1.00 0.00 C ATOM 1532 CG PHE A 95 4.289 1.431 -2.775 1.00 0.00 C ATOM 1533 CD1 PHE A 95 4.030 0.295 -2.024 1.00 0.00 C ATOM 1534 CD2 PHE A 95 5.506 2.074 -2.612 1.00 0.00 C ATOM 1535 CE1 PHE A 95 4.966 -0.190 -1.130 1.00 0.00 C ATOM 1536 CE2 PHE A 95 6.445 1.594 -1.719 1.00 0.00 C ATOM 1537 CZ PHE A 95 6.174 0.461 -0.977 1.00 0.00 C ATOM 0 H PHE A 95 1.559 2.403 -5.472 1.00 0.00 H new ATOM 0 HA PHE A 95 4.178 1.278 -5.575 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.486 3.005 -3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.285 1.923 -3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.086 -0.217 -2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.723 2.960 -3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.753 -1.077 -0.552 1.00 0.00 H new ATOM 0 HE2 PHE A 95 7.390 2.104 -1.601 1.00 0.00 H new ATOM 0 HZ PHE A 95 6.906 0.085 -0.278 1.00 0.00 H new ATOM 1547 N LEU A 96 1.719 -0.728 -4.984 1.00 0.00 N ATOM 1548 CA LEU A 96 1.352 -2.121 -4.751 1.00 0.00 C ATOM 1549 C LEU A 96 1.577 -2.973 -5.999 1.00 0.00 C ATOM 1550 O LEU A 96 2.230 -4.015 -5.939 1.00 0.00 O ATOM 1551 CB LEU A 96 -0.111 -2.216 -4.314 1.00 0.00 C ATOM 1552 CG LEU A 96 -0.396 -1.736 -2.889 1.00 0.00 C ATOM 1553 CD1 LEU A 96 -1.855 -1.973 -2.529 1.00 0.00 C ATOM 1554 CD2 LEU A 96 0.524 -2.433 -1.896 1.00 0.00 C ATOM 0 H LEU A 96 0.950 -0.135 -5.295 1.00 0.00 H new ATOM 0 HA LEU A 96 1.992 -2.506 -3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.719 -1.633 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.434 -3.253 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.201 -0.665 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.040 -1.626 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.494 -1.425 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.078 -3.038 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.307 -2.079 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.363 -3.510 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.562 -2.210 -2.143 1.00 0.00 H new ATOM 1566 N ASN A 97 1.026 -2.528 -7.124 1.00 0.00 N ATOM 1567 CA ASN A 97 1.158 -3.254 -8.387 1.00 0.00 C ATOM 1568 C ASN A 97 2.615 -3.600 -8.687 1.00 0.00 C ATOM 1569 O ASN A 97 2.970 -4.772 -8.812 1.00 0.00 O ATOM 1570 CB ASN A 97 0.578 -2.426 -9.535 1.00 0.00 C ATOM 1571 CG ASN A 97 -0.817 -1.915 -9.233 1.00 0.00 C ATOM 1572 OD1 ASN A 97 -1.719 -2.690 -8.915 1.00 0.00 O ATOM 1573 ND2 ASN A 97 -1.001 -0.605 -9.332 1.00 0.00 N ATOM 0 H ASN A 97 0.483 -1.667 -7.189 1.00 0.00 H new ATOM 0 HA ASN A 97 0.601 -4.186 -8.291 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.235 -1.581 -9.738 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.551 -3.033 -10.440 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.919 -0.203 -9.141 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.225 0.000 -9.599 1.00 0.00 H new ATOM 1580 N GLU A 98 3.450 -2.574 -8.810 1.00 0.00 N ATOM 1581 CA GLU A 98 4.867 -2.767 -9.105 1.00 0.00 C ATOM 1582 C GLU A 98 5.511 -3.767 -8.145 1.00 0.00 C ATOM 1583 O GLU A 98 6.510 -4.405 -8.480 1.00 0.00 O ATOM 1584 CB GLU A 98 5.606 -1.431 -9.034 1.00 0.00 C ATOM 1585 CG GLU A 98 7.082 -1.533 -9.384 1.00 0.00 C ATOM 1586 CD GLU A 98 7.505 -0.525 -10.436 1.00 0.00 C ATOM 1587 OE1 GLU A 98 6.721 -0.288 -11.380 1.00 0.00 O ATOM 1588 OE2 GLU A 98 8.618 0.027 -10.316 1.00 0.00 O ATOM 0 H GLU A 98 3.170 -1.598 -8.710 1.00 0.00 H new ATOM 0 HA GLU A 98 4.943 -3.172 -10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.128 -0.724 -9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.507 -1.023 -8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.676 -1.382 -8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.297 -2.539 -9.743 1.00 0.00 H new ATOM 1595 N LEU A 99 4.939 -3.899 -6.953 1.00 0.00 N ATOM 1596 CA LEU A 99 5.466 -4.819 -5.951 1.00 0.00 C ATOM 1597 C LEU A 99 4.872 -6.216 -6.108 1.00 0.00 C ATOM 1598 O LEU A 99 5.599 -7.191 -6.296 1.00 0.00 O ATOM 1599 CB LEU A 99 5.183 -4.293 -4.548 1.00 0.00 C ATOM 1600 CG LEU A 99 5.948 -5.013 -3.439 1.00 0.00 C ATOM 1601 CD1 LEU A 99 6.443 -4.023 -2.400 1.00 0.00 C ATOM 1602 CD2 LEU A 99 5.075 -6.076 -2.799 1.00 0.00 C ATOM 0 H LEU A 99 4.111 -3.381 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 99 6.543 -4.888 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.431 -3.232 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.114 -4.378 -4.350 1.00 0.00 H new ATOM 0 HG LEU A 99 6.817 -5.503 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.985 -4.556 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.107 -3.300 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.593 -3.501 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.634 -6.580 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.187 -5.609 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.775 -6.803 -3.553 1.00 0.00 H new ATOM 1614 N TYR A 100 3.551 -6.306 -6.020 1.00 0.00 N ATOM 1615 CA TYR A 100 2.859 -7.586 -6.141 1.00 0.00 C ATOM 1616 C TYR A 100 3.038 -8.195 -7.531 1.00 0.00 C ATOM 1617 O TYR A 100 2.775 -9.381 -7.732 1.00 0.00 O ATOM 1618 CB TYR A 100 1.371 -7.411 -5.831 1.00 0.00 C ATOM 1619 CG TYR A 100 1.104 -6.810 -4.467 1.00 0.00 C ATOM 1620 CD1 TYR A 100 1.959 -7.052 -3.397 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -0.003 -5.998 -4.248 1.00 0.00 C ATOM 1622 CE1 TYR A 100 1.719 -6.504 -2.152 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -0.250 -5.446 -3.006 1.00 0.00 C ATOM 1624 CZ TYR A 100 0.614 -5.702 -1.961 1.00 0.00 C ATOM 1625 OH TYR A 100 0.372 -5.155 -0.723 1.00 0.00 O ATOM 0 H TYR A 100 2.935 -5.508 -5.865 1.00 0.00 H new ATOM 0 HA TYR A 100 3.301 -8.272 -5.418 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.922 -6.775 -6.594 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.878 -8.381 -5.894 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.826 -7.680 -3.542 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.682 -5.795 -5.063 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.394 -6.703 -1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.115 -4.817 -2.854 1.00 0.00 H new ATOM 0 HH TYR A 100 1.186 -4.720 -0.393 1.00 0.00 H new ATOM 1635 N ASN A 101 3.488 -7.387 -8.486 1.00 0.00 N ATOM 1636 CA ASN A 101 3.699 -7.863 -9.848 1.00 0.00 C ATOM 1637 C ASN A 101 5.070 -8.518 -9.988 1.00 0.00 C ATOM 1638 O ASN A 101 5.890 -8.101 -10.806 1.00 0.00 O ATOM 1639 CB ASN A 101 3.563 -6.709 -10.844 1.00 0.00 C ATOM 1640 CG ASN A 101 3.388 -7.196 -12.269 1.00 0.00 C ATOM 1641 OD1 ASN A 101 4.214 -6.916 -13.139 1.00 0.00 O ATOM 1642 ND2 ASN A 101 2.309 -7.929 -12.514 1.00 0.00 N ATOM 0 H ASN A 101 3.713 -6.403 -8.342 1.00 0.00 H new ATOM 0 HA ASN A 101 2.936 -8.610 -10.068 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.709 -6.091 -10.566 1.00 0.00 H new ATOM 0 HB3 ASN A 101 4.448 -6.075 -10.785 1.00 0.00 H new ATOM 0 HD21 ASN A 101 2.137 -8.285 -13.454 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.652 -8.136 -11.762 1.00 0.00 H new ATOM 1649 N ASP A 102 5.312 -9.545 -9.179 1.00 0.00 N ATOM 1650 CA ASP A 102 6.586 -10.261 -9.203 1.00 0.00 C ATOM 1651 C ASP A 102 6.922 -10.752 -10.609 1.00 0.00 C ATOM 1652 O ASP A 102 6.056 -11.256 -11.326 1.00 0.00 O ATOM 1653 CB ASP A 102 6.548 -11.450 -8.239 1.00 0.00 C ATOM 1654 CG ASP A 102 5.241 -12.217 -8.309 1.00 0.00 C ATOM 1655 OD1 ASP A 102 4.229 -11.715 -7.774 1.00 0.00 O ATOM 1656 OD2 ASP A 102 5.229 -13.318 -8.897 1.00 0.00 O ATOM 0 H ASP A 102 4.642 -9.902 -8.497 1.00 0.00 H new ATOM 0 HA ASP A 102 7.362 -9.563 -8.888 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.373 -12.124 -8.467 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.701 -11.092 -7.221 1.00 0.00 H new ATOM 1661 N ARG A 103 8.187 -10.604 -10.994 1.00 0.00 N ATOM 1662 CA ARG A 103 8.644 -11.036 -12.308 1.00 0.00 C ATOM 1663 C ARG A 103 9.859 -11.953 -12.186 1.00 0.00 C ATOM 1664 O ARG A 103 9.756 -13.163 -12.386 1.00 0.00 O ATOM 1665 CB ARG A 103 8.981 -9.827 -13.187 1.00 0.00 C ATOM 1666 CG ARG A 103 9.513 -8.622 -12.422 1.00 0.00 C ATOM 1667 CD ARG A 103 8.484 -7.505 -12.352 1.00 0.00 C ATOM 1668 NE ARG A 103 8.655 -6.678 -11.159 1.00 0.00 N ATOM 1669 CZ ARG A 103 9.650 -5.809 -10.996 1.00 0.00 C ATOM 1670 NH1 ARG A 103 10.564 -5.650 -11.945 1.00 0.00 N ATOM 1671 NH2 ARG A 103 9.732 -5.097 -9.881 1.00 0.00 N ATOM 0 H ARG A 103 8.914 -10.187 -10.412 1.00 0.00 H new ATOM 0 HA ARG A 103 7.835 -11.595 -12.778 1.00 0.00 H new ATOM 0 HB2 ARG A 103 9.721 -10.127 -13.928 1.00 0.00 H new ATOM 0 HB3 ARG A 103 8.086 -9.529 -13.733 1.00 0.00 H new ATOM 0 HG2 ARG A 103 9.791 -8.925 -11.413 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.418 -8.254 -12.905 1.00 0.00 H new ATOM 0 HD2 ARG A 103 8.566 -6.880 -13.241 1.00 0.00 H new ATOM 0 HD3 ARG A 103 7.482 -7.934 -12.355 1.00 0.00 H new ATOM 0 HE ARG A 103 7.972 -6.772 -10.407 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.506 -6.195 -12.805 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.324 -4.983 -11.814 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.033 -5.215 -9.148 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.494 -4.431 -9.756 1.00 0.00 H new ATOM 1685 N PHE A 104 11.007 -11.371 -11.854 1.00 0.00 N ATOM 1686 CA PHE A 104 12.239 -12.138 -11.702 1.00 0.00 C ATOM 1687 C PHE A 104 12.655 -12.209 -10.236 1.00 0.00 C ATOM 1688 O PHE A 104 13.292 -13.170 -9.804 1.00 0.00 O ATOM 1689 CB PHE A 104 13.361 -11.512 -12.533 1.00 0.00 C ATOM 1690 CG PHE A 104 13.059 -11.457 -14.004 1.00 0.00 C ATOM 1691 CD1 PHE A 104 12.171 -10.519 -14.506 1.00 0.00 C ATOM 1692 CD2 PHE A 104 13.663 -12.341 -14.882 1.00 0.00 C ATOM 1693 CE1 PHE A 104 11.891 -10.465 -15.859 1.00 0.00 C ATOM 1694 CE2 PHE A 104 13.388 -12.293 -16.236 1.00 0.00 C ATOM 1695 CZ PHE A 104 12.500 -11.353 -16.725 1.00 0.00 C ATOM 0 H PHE A 104 11.110 -10.370 -11.685 1.00 0.00 H new ATOM 0 HA PHE A 104 12.055 -13.151 -12.060 1.00 0.00 H new ATOM 0 HB2 PHE A 104 13.550 -10.501 -12.171 1.00 0.00 H new ATOM 0 HB3 PHE A 104 14.277 -12.082 -12.379 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.693 -9.823 -13.833 1.00 0.00 H new ATOM 0 HD2 PHE A 104 14.357 -13.077 -14.504 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.197 -9.730 -16.239 1.00 0.00 H new ATOM 0 HE2 PHE A 104 13.866 -12.988 -16.910 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.283 -11.313 -17.782 1.00 0.00 H new ATOM 1705 N ASP A 105 12.286 -11.183 -9.474 1.00 0.00 N ATOM 1706 CA ASP A 105 12.614 -11.123 -8.054 1.00 0.00 C ATOM 1707 C ASP A 105 11.409 -10.655 -7.248 1.00 0.00 C ATOM 1708 O ASP A 105 11.033 -9.483 -7.299 1.00 0.00 O ATOM 1709 CB ASP A 105 13.800 -10.184 -7.817 1.00 0.00 C ATOM 1710 CG ASP A 105 14.903 -10.370 -8.842 1.00 0.00 C ATOM 1711 OD1 ASP A 105 14.694 -9.996 -10.015 1.00 0.00 O ATOM 1712 OD2 ASP A 105 15.976 -10.890 -8.470 1.00 0.00 O ATOM 0 H ASP A 105 11.759 -10.381 -9.818 1.00 0.00 H new ATOM 0 HA ASP A 105 12.889 -12.125 -7.724 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.453 -9.151 -7.845 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.203 -10.358 -6.819 1.00 0.00 H new ATOM 1717 N SER A 106 10.799 -11.578 -6.513 1.00 0.00 N ATOM 1718 CA SER A 106 9.628 -11.258 -5.707 1.00 0.00 C ATOM 1719 C SER A 106 9.982 -11.120 -4.230 1.00 0.00 C ATOM 1720 O SER A 106 9.125 -11.282 -3.362 1.00 0.00 O ATOM 1721 CB SER A 106 8.556 -12.332 -5.882 1.00 0.00 C ATOM 1722 OG SER A 106 8.925 -13.535 -5.229 1.00 0.00 O ATOM 0 H SER A 106 11.096 -12.552 -6.459 1.00 0.00 H new ATOM 0 HA SER A 106 9.243 -10.299 -6.054 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.609 -11.973 -5.480 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.400 -12.524 -6.943 1.00 0.00 H new ATOM 0 HG SER A 106 8.221 -14.205 -5.355 1.00 0.00 H new ATOM 1728 N ARG A 107 11.244 -10.817 -3.945 1.00 0.00 N ATOM 1729 CA ARG A 107 11.689 -10.654 -2.565 1.00 0.00 C ATOM 1730 C ARG A 107 10.910 -9.535 -1.881 1.00 0.00 C ATOM 1731 O ARG A 107 10.728 -9.544 -0.663 1.00 0.00 O ATOM 1732 CB ARG A 107 13.186 -10.346 -2.514 1.00 0.00 C ATOM 1733 CG ARG A 107 14.029 -11.247 -3.403 1.00 0.00 C ATOM 1734 CD ARG A 107 15.091 -10.456 -4.149 1.00 0.00 C ATOM 1735 NE ARG A 107 14.533 -9.287 -4.825 1.00 0.00 N ATOM 1736 CZ ARG A 107 15.267 -8.390 -5.481 1.00 0.00 C ATOM 1737 NH1 ARG A 107 16.586 -8.524 -5.549 1.00 0.00 N ATOM 1738 NH2 ARG A 107 14.681 -7.357 -6.069 1.00 0.00 N ATOM 0 H ARG A 107 11.973 -10.680 -4.645 1.00 0.00 H new ATOM 0 HA ARG A 107 11.503 -11.590 -2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 107 13.344 -9.309 -2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 107 13.532 -10.440 -1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 107 14.506 -12.016 -2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.386 -11.759 -4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.862 -10.135 -3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 107 15.575 -11.101 -4.882 1.00 0.00 H new ATOM 0 HE ARG A 107 13.523 -9.150 -4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 107 17.042 -9.317 -5.098 1.00 0.00 H new ATOM 0 HH12 ARG A 107 17.143 -7.834 -6.053 1.00 0.00 H new ATOM 0 HH21 ARG A 107 13.668 -7.249 -6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 107 15.243 -6.670 -6.571 1.00 0.00 H new ATOM 1752 N TRP A 108 10.460 -8.571 -2.676 1.00 0.00 N ATOM 1753 CA TRP A 108 9.707 -7.436 -2.158 1.00 0.00 C ATOM 1754 C TRP A 108 8.324 -7.859 -1.667 1.00 0.00 C ATOM 1755 O TRP A 108 7.843 -7.364 -0.648 1.00 0.00 O ATOM 1756 CB TRP A 108 9.575 -6.359 -3.236 1.00 0.00 C ATOM 1757 CG TRP A 108 10.897 -5.813 -3.682 1.00 0.00 C ATOM 1758 CD1 TRP A 108 11.444 -5.902 -4.930 1.00 0.00 C ATOM 1759 CD2 TRP A 108 11.840 -5.098 -2.878 1.00 0.00 C ATOM 1760 NE1 TRP A 108 12.672 -5.284 -4.950 1.00 0.00 N ATOM 1761 CE2 TRP A 108 12.937 -4.782 -3.703 1.00 0.00 C ATOM 1762 CE3 TRP A 108 11.864 -4.693 -1.542 1.00 0.00 C ATOM 1763 CZ2 TRP A 108 14.044 -4.081 -3.232 1.00 0.00 C ATOM 1764 CZ3 TRP A 108 12.962 -3.996 -1.076 1.00 0.00 C ATOM 1765 CH2 TRP A 108 14.039 -3.696 -1.919 1.00 0.00 C ATOM 0 H TRP A 108 10.605 -8.554 -3.686 1.00 0.00 H new ATOM 0 HA TRP A 108 10.254 -7.031 -1.307 1.00 0.00 H new ATOM 0 HB2 TRP A 108 9.051 -6.776 -4.096 1.00 0.00 H new ATOM 0 HB3 TRP A 108 8.961 -5.543 -2.854 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.980 -6.386 -5.777 1.00 0.00 H new ATOM 0 HE1 TRP A 108 13.286 -5.211 -5.761 1.00 0.00 H new ATOM 0 HE3 TRP A 108 11.038 -4.921 -0.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.877 -3.849 -3.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 12.990 -3.677 -0.044 1.00 0.00 H new ATOM 0 HH2 TRP A 108 14.883 -3.150 -1.525 1.00 0.00 H new ATOM 1776 N ARG A 109 7.685 -8.773 -2.393 1.00 0.00 N ATOM 1777 CA ARG A 109 6.358 -9.247 -2.015 1.00 0.00 C ATOM 1778 C ARG A 109 6.444 -10.524 -1.182 1.00 0.00 C ATOM 1779 O ARG A 109 5.499 -10.877 -0.476 1.00 0.00 O ATOM 1780 CB ARG A 109 5.499 -9.483 -3.259 1.00 0.00 C ATOM 1781 CG ARG A 109 6.079 -10.506 -4.221 1.00 0.00 C ATOM 1782 CD ARG A 109 5.519 -11.892 -3.957 1.00 0.00 C ATOM 1783 NE ARG A 109 4.138 -12.022 -4.415 1.00 0.00 N ATOM 1784 CZ ARG A 109 3.540 -13.188 -4.651 1.00 0.00 C ATOM 1785 NH1 ARG A 109 4.195 -14.327 -4.467 1.00 0.00 N ATOM 1786 NH2 ARG A 109 2.282 -13.214 -5.072 1.00 0.00 N ATOM 0 H ARG A 109 8.062 -9.197 -3.240 1.00 0.00 H new ATOM 0 HA ARG A 109 5.889 -8.475 -1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 109 4.508 -9.813 -2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 109 5.370 -8.537 -3.784 1.00 0.00 H new ATOM 0 HG2 ARG A 109 5.856 -10.211 -5.246 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.164 -10.525 -4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 109 6.139 -12.635 -4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 109 5.568 -12.105 -2.889 1.00 0.00 H new ATOM 0 HE ARG A 109 3.600 -11.168 -4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.162 -14.313 -4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 109 3.731 -15.217 -4.649 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.774 -12.341 -5.215 1.00 0.00 H new ATOM 0 HH22 ARG A 109 1.823 -14.107 -5.253 1.00 0.00 H new ATOM 1800 N ASP A 110 7.579 -11.213 -1.263 1.00 0.00 N ATOM 1801 CA ASP A 110 7.777 -12.445 -0.508 1.00 0.00 C ATOM 1802 C ASP A 110 8.010 -12.147 0.972 1.00 0.00 C ATOM 1803 O ASP A 110 7.762 -12.992 1.830 1.00 0.00 O ATOM 1804 CB ASP A 110 8.962 -13.234 -1.075 1.00 0.00 C ATOM 1805 CG ASP A 110 8.523 -14.325 -2.031 1.00 0.00 C ATOM 1806 OD1 ASP A 110 7.403 -14.224 -2.575 1.00 0.00 O ATOM 1807 OD2 ASP A 110 9.299 -15.282 -2.236 1.00 0.00 O ATOM 0 H ASP A 110 8.373 -10.940 -1.842 1.00 0.00 H new ATOM 0 HA ASP A 110 6.872 -13.046 -0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.636 -12.551 -1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.526 -13.678 -0.255 1.00 0.00 H new ATOM 1812 N THR A 111 8.489 -10.939 1.263 1.00 0.00 N ATOM 1813 CA THR A 111 8.754 -10.530 2.638 1.00 0.00 C ATOM 1814 C THR A 111 7.537 -10.767 3.526 1.00 0.00 C ATOM 1815 O THR A 111 6.402 -10.512 3.125 1.00 0.00 O ATOM 1816 CB THR A 111 9.153 -9.052 2.683 1.00 0.00 C ATOM 1817 OG1 THR A 111 9.284 -8.525 1.374 1.00 0.00 O ATOM 1818 CG2 THR A 111 10.459 -8.813 3.405 1.00 0.00 C ATOM 0 H THR A 111 8.701 -10.227 0.564 1.00 0.00 H new ATOM 0 HA THR A 111 9.577 -11.136 3.017 1.00 0.00 H new ATOM 0 HB THR A 111 8.353 -8.552 3.229 1.00 0.00 H new ATOM 0 HG1 THR A 111 9.991 -9.007 0.896 1.00 0.00 H new ATOM 0 HG21 THR A 111 10.686 -7.747 3.403 1.00 0.00 H new ATOM 0 HG22 THR A 111 10.376 -9.164 4.434 1.00 0.00 H new ATOM 0 HG23 THR A 111 11.258 -9.356 2.900 1.00 0.00 H new ATOM 1826 N LYS A 112 7.783 -11.257 4.737 1.00 0.00 N ATOM 1827 CA LYS A 112 6.708 -11.530 5.682 1.00 0.00 C ATOM 1828 C LYS A 112 5.935 -10.256 6.009 1.00 0.00 C ATOM 1829 O LYS A 112 4.747 -10.304 6.326 1.00 0.00 O ATOM 1830 CB LYS A 112 7.271 -12.142 6.966 1.00 0.00 C ATOM 1831 CG LYS A 112 8.337 -11.286 7.632 1.00 0.00 C ATOM 1832 CD LYS A 112 8.600 -11.736 9.060 1.00 0.00 C ATOM 1833 CE LYS A 112 9.744 -10.956 9.689 1.00 0.00 C ATOM 1834 NZ LYS A 112 9.254 -9.924 10.644 1.00 0.00 N ATOM 0 H LYS A 112 8.717 -11.473 5.086 1.00 0.00 H new ATOM 0 HA LYS A 112 6.024 -12.241 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.455 -12.304 7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.693 -13.121 6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.261 -11.340 7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.021 -10.243 7.630 1.00 0.00 H new ATOM 0 HD2 LYS A 112 7.697 -11.604 9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 112 8.835 -12.800 9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.410 -11.645 10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.330 -10.476 8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.064 -9.415 11.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.639 -9.252 10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.716 -10.384 11.406 1.00 0.00 H new ATOM 1848 N ILE A 113 6.617 -9.116 5.929 1.00 0.00 N ATOM 1849 CA ILE A 113 5.988 -7.833 6.217 1.00 0.00 C ATOM 1850 C ILE A 113 4.968 -7.466 5.143 1.00 0.00 C ATOM 1851 O ILE A 113 3.970 -6.801 5.423 1.00 0.00 O ATOM 1852 CB ILE A 113 7.030 -6.700 6.338 1.00 0.00 C ATOM 1853 CG1 ILE A 113 7.780 -6.504 5.020 1.00 0.00 C ATOM 1854 CG2 ILE A 113 8.012 -6.988 7.462 1.00 0.00 C ATOM 1855 CD1 ILE A 113 7.884 -5.054 4.611 1.00 0.00 C ATOM 0 H ILE A 113 7.601 -9.056 5.668 1.00 0.00 H new ATOM 0 HA ILE A 113 5.479 -7.942 7.174 1.00 0.00 H new ATOM 0 HB ILE A 113 6.495 -5.779 6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.782 -6.923 5.113 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.273 -7.062 4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.737 -6.177 7.529 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.472 -7.070 8.405 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.533 -7.924 7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.426 -4.980 3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.884 -4.638 4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.417 -4.496 5.381 1.00 0.00 H new ATOM 1867 N ALA A 114 5.221 -7.905 3.914 1.00 0.00 N ATOM 1868 CA ALA A 114 4.324 -7.624 2.803 1.00 0.00 C ATOM 1869 C ALA A 114 3.047 -8.448 2.913 1.00 0.00 C ATOM 1870 O ALA A 114 1.969 -7.998 2.524 1.00 0.00 O ATOM 1871 CB ALA A 114 5.020 -7.900 1.479 1.00 0.00 C ATOM 0 H ALA A 114 6.041 -8.457 3.664 1.00 0.00 H new ATOM 0 HA ALA A 114 4.052 -6.569 2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.337 -7.685 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.902 -7.266 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.320 -8.947 1.437 1.00 0.00 H new ATOM 1877 N GLN A 115 3.176 -9.656 3.448 1.00 0.00 N ATOM 1878 CA GLN A 115 2.034 -10.546 3.614 1.00 0.00 C ATOM 1879 C GLN A 115 1.046 -9.980 4.630 1.00 0.00 C ATOM 1880 O GLN A 115 -0.166 -10.123 4.477 1.00 0.00 O ATOM 1881 CB GLN A 115 2.501 -11.934 4.057 1.00 0.00 C ATOM 1882 CG GLN A 115 3.109 -12.758 2.934 1.00 0.00 C ATOM 1883 CD GLN A 115 2.062 -13.335 2.001 1.00 0.00 C ATOM 1884 OE1 GLN A 115 1.157 -14.050 2.429 1.00 0.00 O ATOM 1885 NE2 GLN A 115 2.183 -13.026 0.714 1.00 0.00 N ATOM 0 H GLN A 115 4.062 -10.042 3.775 1.00 0.00 H new ATOM 0 HA GLN A 115 1.529 -10.631 2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 115 3.236 -11.824 4.854 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.654 -12.476 4.477 1.00 0.00 H new ATOM 0 HG2 GLN A 115 3.796 -12.135 2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 115 3.697 -13.570 3.362 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.949 -12.429 0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 115 1.509 -13.386 0.038 1.00 0.00 H new ATOM 1894 N ASP A 116 1.575 -9.336 5.667 1.00 0.00 N ATOM 1895 CA ASP A 116 0.737 -8.750 6.708 1.00 0.00 C ATOM 1896 C ASP A 116 0.134 -7.423 6.249 1.00 0.00 C ATOM 1897 O ASP A 116 -0.875 -6.971 6.792 1.00 0.00 O ATOM 1898 CB ASP A 116 1.550 -8.539 7.985 1.00 0.00 C ATOM 1899 CG ASP A 116 0.680 -8.168 9.170 1.00 0.00 C ATOM 1900 OD1 ASP A 116 -0.451 -8.691 9.263 1.00 0.00 O ATOM 1901 OD2 ASP A 116 1.128 -7.355 10.005 1.00 0.00 O ATOM 0 H ASP A 116 2.577 -9.207 5.808 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.079 -9.443 6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.103 -9.450 8.215 1.00 0.00 H new ATOM 0 HB3 ASP A 116 2.286 -7.753 7.818 1.00 0.00 H new ATOM 1906 N PHE A 117 0.760 -6.801 5.253 1.00 0.00 N ATOM 1907 CA PHE A 117 0.289 -5.524 4.727 1.00 0.00 C ATOM 1908 C PHE A 117 -1.187 -5.587 4.337 1.00 0.00 C ATOM 1909 O PHE A 117 -1.968 -4.703 4.690 1.00 0.00 O ATOM 1910 CB PHE A 117 1.127 -5.117 3.516 1.00 0.00 C ATOM 1911 CG PHE A 117 0.985 -3.669 3.152 1.00 0.00 C ATOM 1912 CD1 PHE A 117 1.363 -2.680 4.043 1.00 0.00 C ATOM 1913 CD2 PHE A 117 0.474 -3.298 1.920 1.00 0.00 C ATOM 1914 CE1 PHE A 117 1.235 -1.345 3.712 1.00 0.00 C ATOM 1915 CE2 PHE A 117 0.342 -1.966 1.582 1.00 0.00 C ATOM 1916 CZ PHE A 117 0.723 -0.987 2.480 1.00 0.00 C ATOM 0 H PHE A 117 1.596 -7.162 4.794 1.00 0.00 H new ATOM 0 HA PHE A 117 0.398 -4.779 5.515 1.00 0.00 H new ATOM 0 HB2 PHE A 117 2.176 -5.331 3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.838 -5.729 2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 117 1.763 -2.955 5.008 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.175 -4.060 1.215 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.535 -0.582 4.415 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -0.058 -1.690 0.618 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.621 0.056 2.219 1.00 0.00 H new ATOM 1926 N LEU A 118 -1.562 -6.629 3.601 1.00 0.00 N ATOM 1927 CA LEU A 118 -2.944 -6.793 3.161 1.00 0.00 C ATOM 1928 C LEU A 118 -3.655 -7.881 3.961 1.00 0.00 C ATOM 1929 O LEU A 118 -4.589 -8.512 3.470 1.00 0.00 O ATOM 1930 CB LEU A 118 -2.993 -7.130 1.667 1.00 0.00 C ATOM 1931 CG LEU A 118 -2.314 -6.115 0.742 1.00 0.00 C ATOM 1932 CD1 LEU A 118 -2.746 -6.337 -0.700 1.00 0.00 C ATOM 1933 CD2 LEU A 118 -2.629 -4.691 1.177 1.00 0.00 C ATOM 0 H LEU A 118 -0.931 -7.370 3.297 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.461 -5.849 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.526 -8.103 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.037 -7.227 1.368 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.236 -6.262 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -2.254 -5.607 -1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.467 -7.343 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -3.827 -6.220 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.136 -3.988 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -3.707 -4.530 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -2.270 -4.533 2.194 1.00 0.00 H new ATOM 1945 N GLN A 119 -3.206 -8.097 5.193 1.00 0.00 N ATOM 1946 CA GLN A 119 -3.804 -9.112 6.054 1.00 0.00 C ATOM 1947 C GLN A 119 -3.770 -10.479 5.379 1.00 0.00 C ATOM 1948 O GLN A 119 -4.741 -11.234 5.427 1.00 0.00 O ATOM 1949 CB GLN A 119 -5.245 -8.733 6.399 1.00 0.00 C ATOM 1950 CG GLN A 119 -5.406 -7.284 6.831 1.00 0.00 C ATOM 1951 CD GLN A 119 -6.702 -7.039 7.576 1.00 0.00 C ATOM 1952 OE1 GLN A 119 -6.714 -6.913 8.800 1.00 0.00 O ATOM 1953 NE2 GLN A 119 -7.804 -6.971 6.838 1.00 0.00 N ATOM 0 H GLN A 119 -2.433 -7.585 5.617 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.222 -9.166 6.974 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -5.878 -8.917 5.531 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -5.602 -9.383 7.198 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -4.567 -7.003 7.467 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -5.369 -6.640 5.952 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -7.747 -7.081 5.826 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -8.707 -6.808 7.284 1.00 0.00 H new ATOM 1962 N LEU A 120 -2.643 -10.787 4.747 1.00 0.00 N ATOM 1963 CA LEU A 120 -2.471 -12.059 4.056 1.00 0.00 C ATOM 1964 C LEU A 120 -1.887 -13.115 4.991 1.00 0.00 C ATOM 1965 O LEU A 120 -1.041 -13.914 4.590 1.00 0.00 O ATOM 1966 CB LEU A 120 -1.561 -11.877 2.838 1.00 0.00 C ATOM 1967 CG LEU A 120 -1.736 -10.551 2.090 1.00 0.00 C ATOM 1968 CD1 LEU A 120 -0.494 -10.227 1.274 1.00 0.00 C ATOM 1969 CD2 LEU A 120 -2.971 -10.600 1.201 1.00 0.00 C ATOM 0 H LEU A 120 -1.832 -10.170 4.699 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.451 -12.401 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.524 -11.959 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.743 -12.696 2.142 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.875 -9.757 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.639 -9.282 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.367 -10.146 1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.319 -11.021 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.080 -9.650 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.864 -11.405 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.854 -10.780 1.814 1.00 0.00 H new