USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 GLN : amide:sc= -0.182 X(o=1.1,f=1.1) USER MOD Set 1.2: A 77 SER OG : rot 81:sc= 1.31 USER MOD Set 2.1: A 72 HIS : no HE2:sc= 0.489 K(o=1.8,f=-5.9!) USER MOD Set 2.2: B 3 THR OG1 : rot 145:sc= 1.35 USER MOD Single : A 15 CYS SG : rot -64:sc= 0.113 USER MOD Single : A 16 CYS SG : rot 42:sc= 0.0787 USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 1.97 (180deg=1.95) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.476 F(o=-2.3!,f=-0.48) USER MOD Single : A 24 TYR OH : rot -149:sc= 0.785 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -1.33 F(o=-5!,f=-1.3) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0.594! C(o=0.59!,f=-11!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -65:sc= 1.2 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.987 K(o=-0.99,f=-6.5!) USER MOD Single : A 66 ASN : amide:sc= 0.284 X(o=0.28,f=-0.099) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0598 USER MOD Single : A 74 GLN : amide:sc= -0.443 K(o=-0.44,f=-1.1) USER MOD Single : A 84 ASN : amide:sc= -0.492 K(o=-0.49,f=-2.7!) USER MOD Single : A 95 THR OG1 : rot 152:sc= -0.0422 USER MOD Single : A 98 GLN :FLIP amide:sc= -0.017 F(o=-1.2!,f=-0.017) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 101 LYS NZ :NH3+ 174:sc= -1.22 (180deg=-1.42) USER MOD Single : A 105 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 11 -11.236 -6.390 -4.310 1.00 0.00 N ATOM 107 CA LEU A 11 -9.821 -6.186 -4.020 1.00 0.00 C ATOM 108 C LEU A 11 -9.445 -4.721 -4.240 1.00 0.00 C ATOM 109 O LEU A 11 -8.974 -4.341 -5.316 1.00 0.00 O ATOM 110 CB LEU A 11 -8.955 -7.111 -4.885 1.00 0.00 C ATOM 111 CG LEU A 11 -9.364 -8.588 -4.861 1.00 0.00 C ATOM 112 CD1 LEU A 11 -8.400 -9.422 -5.690 1.00 0.00 C ATOM 113 CD2 LEU A 11 -9.433 -9.106 -3.432 1.00 0.00 C ATOM 0 HA LEU A 11 -9.637 -6.435 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.988 -6.757 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.920 -7.030 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.358 -8.675 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.706 -10.468 -5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.408 -9.070 -6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.394 -9.327 -5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.725 -10.156 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.455 -9.005 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.168 -8.529 -2.871 1.00 0.00 H new ATOM 125 N PRO A 12 -9.662 -3.882 -3.214 1.00 0.00 N ATOM 126 CA PRO A 12 -9.474 -2.426 -3.307 1.00 0.00 C ATOM 127 C PRO A 12 -8.085 -2.039 -3.799 1.00 0.00 C ATOM 128 O PRO A 12 -7.103 -2.724 -3.519 1.00 0.00 O ATOM 129 CB PRO A 12 -9.681 -1.942 -1.870 1.00 0.00 C ATOM 130 CG PRO A 12 -10.504 -3.001 -1.228 1.00 0.00 C ATOM 131 CD PRO A 12 -10.081 -4.294 -1.865 1.00 0.00 C ATOM 0 HA PRO A 12 -10.161 -1.981 -4.027 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.729 -1.814 -1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.189 -0.978 -1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.340 -3.024 -0.151 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.567 -2.818 -1.384 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.266 -4.765 -1.316 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.900 -5.013 -1.899 1.00 0.00 H new ATOM 139 N ARG A 13 -8.012 -0.945 -4.542 1.00 0.00 N ATOM 140 CA ARG A 13 -6.744 -0.483 -5.077 1.00 0.00 C ATOM 141 C ARG A 13 -6.176 0.628 -4.204 1.00 0.00 C ATOM 142 O ARG A 13 -6.920 1.446 -3.656 1.00 0.00 O ATOM 143 CB ARG A 13 -6.891 -0.006 -6.533 1.00 0.00 C ATOM 144 CG ARG A 13 -7.512 1.380 -6.716 1.00 0.00 C ATOM 145 CD ARG A 13 -9.010 1.414 -6.434 1.00 0.00 C ATOM 146 NE ARG A 13 -9.621 2.623 -6.997 1.00 0.00 N ATOM 147 CZ ARG A 13 -10.702 3.239 -6.508 1.00 0.00 C ATOM 148 NH1 ARG A 13 -11.320 2.785 -5.427 1.00 0.00 N ATOM 149 NH2 ARG A 13 -11.153 4.333 -7.099 1.00 0.00 N ATOM 0 H ARG A 13 -8.814 -0.364 -4.787 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.050 -1.323 -5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.905 -0.007 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.499 -0.731 -7.074 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.009 2.086 -6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.334 1.718 -7.737 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.484 0.530 -6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.183 1.382 -5.358 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.187 3.026 -7.827 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.972 1.952 -4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.143 3.269 -5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.677 4.701 -7.922 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.977 4.808 -6.732 1.00 0.00 H new ATOM 163 N LEU A 14 -4.862 0.642 -4.068 1.00 0.00 N ATOM 164 CA LEU A 14 -4.184 1.650 -3.283 1.00 0.00 C ATOM 165 C LEU A 14 -3.798 2.808 -4.188 1.00 0.00 C ATOM 166 O LEU A 14 -3.061 2.631 -5.160 1.00 0.00 O ATOM 167 CB LEU A 14 -2.947 1.034 -2.622 1.00 0.00 C ATOM 168 CG LEU A 14 -2.325 1.825 -1.464 1.00 0.00 C ATOM 169 CD1 LEU A 14 -1.562 3.041 -1.969 1.00 0.00 C ATOM 170 CD2 LEU A 14 -3.401 2.240 -0.470 1.00 0.00 C ATOM 0 H LEU A 14 -4.240 -0.043 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.842 2.024 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.214 0.043 -2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.184 0.894 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.611 1.175 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.134 3.579 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.762 2.718 -2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.242 3.698 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.945 2.800 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.139 2.866 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.890 1.351 -0.071 1.00 0.00 H new ATOM 182 N CYS A 15 -4.291 3.987 -3.871 1.00 0.00 N ATOM 183 CA CYS A 15 -4.033 5.148 -4.694 1.00 0.00 C ATOM 184 C CYS A 15 -2.922 5.994 -4.096 1.00 0.00 C ATOM 185 O CYS A 15 -3.092 6.614 -3.045 1.00 0.00 O ATOM 186 CB CYS A 15 -5.308 5.973 -4.858 1.00 0.00 C ATOM 187 SG CYS A 15 -6.646 5.076 -5.674 1.00 0.00 S ATOM 0 H CYS A 15 -4.871 4.166 -3.051 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.709 4.809 -5.678 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.648 6.302 -3.876 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.079 6.870 -5.433 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.292 4.779 -6.889 1.00 0.00 H new ATOM 193 N CYS A 16 -1.777 5.989 -4.756 1.00 0.00 N ATOM 194 CA CYS A 16 -0.667 6.823 -4.348 1.00 0.00 C ATOM 195 C CYS A 16 -0.857 8.224 -4.904 1.00 0.00 C ATOM 196 O CYS A 16 -0.729 8.448 -6.109 1.00 0.00 O ATOM 197 CB CYS A 16 0.654 6.226 -4.837 1.00 0.00 C ATOM 198 SG CYS A 16 0.698 5.892 -6.615 1.00 0.00 S ATOM 0 H CYS A 16 -1.594 5.414 -5.578 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.635 6.873 -3.260 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.465 6.910 -4.586 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.842 5.297 -4.299 1.00 0.00 H new ATOM 0 HG CYS A 16 0.148 6.880 -7.256 1.00 0.00 H new ATOM 204 N LEU A 17 -1.193 9.158 -4.035 1.00 0.00 N ATOM 205 CA LEU A 17 -1.385 10.530 -4.455 1.00 0.00 C ATOM 206 C LEU A 17 -0.080 11.300 -4.369 1.00 0.00 C ATOM 207 O LEU A 17 0.539 11.382 -3.306 1.00 0.00 O ATOM 208 CB LEU A 17 -2.474 11.216 -3.626 1.00 0.00 C ATOM 209 CG LEU A 17 -3.843 11.315 -4.306 1.00 0.00 C ATOM 210 CD1 LEU A 17 -3.711 11.992 -5.659 1.00 0.00 C ATOM 211 CD2 LEU A 17 -4.483 9.942 -4.448 1.00 0.00 C ATOM 0 H LEU A 17 -1.338 8.992 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.714 10.521 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.590 10.674 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.137 12.222 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.495 11.922 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.691 12.056 -6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.306 12.995 -5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.040 11.411 -6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.454 10.042 -4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.840 9.301 -5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.615 9.498 -3.461 1.00 0.00 H new ATOM 223 N GLU A 18 0.334 11.840 -5.503 1.00 0.00 N ATOM 224 CA GLU A 18 1.554 12.621 -5.588 1.00 0.00 C ATOM 225 C GLU A 18 1.235 14.085 -5.333 1.00 0.00 C ATOM 226 O GLU A 18 0.192 14.584 -5.754 1.00 0.00 O ATOM 227 CB GLU A 18 2.182 12.467 -6.978 1.00 0.00 C ATOM 228 CG GLU A 18 2.327 11.023 -7.441 1.00 0.00 C ATOM 229 CD GLU A 18 3.451 10.287 -6.744 1.00 0.00 C ATOM 230 OE1 GLU A 18 3.220 9.704 -5.670 1.00 0.00 O ATOM 231 OE2 GLU A 18 4.580 10.279 -7.282 1.00 0.00 O ATOM 0 H GLU A 18 -0.165 11.749 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 18 2.260 12.263 -4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.573 13.009 -7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.166 12.936 -6.974 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.390 10.495 -7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.503 11.008 -8.517 1.00 0.00 H new ATOM 238 N LYS A 19 2.120 14.761 -4.624 1.00 0.00 N ATOM 239 CA LYS A 19 1.969 16.183 -4.363 1.00 0.00 C ATOM 240 C LYS A 19 2.073 16.982 -5.660 1.00 0.00 C ATOM 241 O LYS A 19 3.157 17.134 -6.228 1.00 0.00 O ATOM 242 CB LYS A 19 3.026 16.645 -3.355 1.00 0.00 C ATOM 243 CG LYS A 19 3.019 18.142 -3.072 1.00 0.00 C ATOM 244 CD LYS A 19 1.713 18.605 -2.437 1.00 0.00 C ATOM 245 CE LYS A 19 1.357 17.786 -1.204 1.00 0.00 C ATOM 246 NZ LYS A 19 2.441 17.797 -0.183 1.00 0.00 N ATOM 0 H LYS A 19 2.957 14.346 -4.215 1.00 0.00 H new ATOM 0 HA LYS A 19 0.981 16.359 -3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.874 16.110 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.011 16.363 -3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.849 18.388 -2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.181 18.686 -4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.796 19.657 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.908 18.529 -3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.441 18.179 -0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.152 16.758 -1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.138 17.254 0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.299 17.367 -0.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.644 18.778 0.097 1.00 0.00 H new ATOM 260 N GLY A 20 0.932 17.471 -6.123 1.00 0.00 N ATOM 261 CA GLY A 20 0.888 18.259 -7.335 1.00 0.00 C ATOM 262 C GLY A 20 1.165 19.727 -7.077 1.00 0.00 C ATOM 263 O GLY A 20 2.005 20.062 -6.244 1.00 0.00 O ATOM 0 H GLY A 20 0.027 17.333 -5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.620 17.872 -8.044 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.092 18.153 -7.800 1.00 0.00 H new ATOM 267 N PRO A 21 0.450 20.628 -7.770 1.00 0.00 N ATOM 268 CA PRO A 21 0.670 22.077 -7.664 1.00 0.00 C ATOM 269 C PRO A 21 0.473 22.606 -6.245 1.00 0.00 C ATOM 270 O PRO A 21 1.256 23.421 -5.762 1.00 0.00 O ATOM 271 CB PRO A 21 -0.379 22.680 -8.607 1.00 0.00 C ATOM 272 CG PRO A 21 -1.385 21.600 -8.820 1.00 0.00 C ATOM 273 CD PRO A 21 -0.632 20.307 -8.718 1.00 0.00 C ATOM 0 HA PRO A 21 1.696 22.340 -7.922 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.839 23.565 -8.168 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.072 22.989 -9.550 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.176 21.651 -8.072 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.862 21.698 -9.795 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.265 19.499 -8.350 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.241 19.990 -9.685 1.00 0.00 H new ATOM 281 N ASN A 22 -0.569 22.131 -5.573 1.00 0.00 N ATOM 282 CA ASN A 22 -0.878 22.593 -4.221 1.00 0.00 C ATOM 283 C ASN A 22 -1.709 21.554 -3.478 1.00 0.00 C ATOM 284 O ASN A 22 -2.544 21.886 -2.637 1.00 0.00 O ATOM 285 CB ASN A 22 -1.611 23.949 -4.241 1.00 0.00 C ATOM 286 CG ASN A 22 -3.031 23.895 -4.799 1.00 0.00 C ATOM 287 OD1 ASN A 22 -3.258 23.085 -5.823 1.00 0.00 O flip ATOM 288 ND2 ASN A 22 -3.912 24.612 -4.327 1.00 0.00 N flip ATOM 0 H ASN A 22 -1.213 21.429 -5.938 1.00 0.00 H new ATOM 0 HA ASN A 22 0.067 22.731 -3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.649 24.342 -3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.028 24.654 -4.834 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.703 25.224 -3.538 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.851 24.594 -4.724 1.00 0.00 H new ATOM 295 N GLY A 23 -1.452 20.291 -3.774 1.00 0.00 N ATOM 296 CA GLY A 23 -2.224 19.228 -3.176 1.00 0.00 C ATOM 297 C GLY A 23 -2.320 18.024 -4.076 1.00 0.00 C ATOM 298 O GLY A 23 -1.325 17.618 -4.676 1.00 0.00 O ATOM 0 H GLY A 23 -0.723 19.984 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.768 18.937 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.226 19.592 -2.949 1.00 0.00 H new ATOM 302 N TYR A 24 -3.511 17.460 -4.190 1.00 0.00 N ATOM 303 CA TYR A 24 -3.685 16.199 -4.891 1.00 0.00 C ATOM 304 C TYR A 24 -4.778 16.293 -5.953 1.00 0.00 C ATOM 305 O TYR A 24 -4.891 15.425 -6.816 1.00 0.00 O ATOM 306 CB TYR A 24 -3.977 15.100 -3.871 1.00 0.00 C ATOM 307 CG TYR A 24 -2.946 15.074 -2.763 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.685 14.527 -2.973 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.218 15.636 -1.522 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.731 14.533 -1.978 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.265 15.653 -0.524 1.00 0.00 C ATOM 312 CZ TYR A 24 -1.025 15.099 -0.756 1.00 0.00 C ATOM 313 OH TYR A 24 -0.073 15.120 0.236 1.00 0.00 O ATOM 0 H TYR A 24 -4.370 17.855 -3.807 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.765 15.954 -5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.967 15.255 -3.443 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.995 14.133 -4.374 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.449 14.090 -3.932 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.191 16.066 -1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.241 14.097 -2.155 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.490 16.098 0.434 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.511 15.074 1.111 1.00 0.00 H new ATOM 323 N GLY A 25 -5.587 17.343 -5.877 1.00 0.00 N ATOM 324 CA GLY A 25 -6.458 17.689 -6.986 1.00 0.00 C ATOM 325 C GLY A 25 -7.801 16.983 -6.975 1.00 0.00 C ATOM 326 O GLY A 25 -8.404 16.778 -8.031 1.00 0.00 O ATOM 0 H GLY A 25 -5.656 17.961 -5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.628 18.766 -6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.947 17.455 -7.920 1.00 0.00 H new ATOM 330 N PHE A 26 -8.290 16.617 -5.803 1.00 0.00 N ATOM 331 CA PHE A 26 -9.629 16.062 -5.703 1.00 0.00 C ATOM 332 C PHE A 26 -10.384 16.720 -4.564 1.00 0.00 C ATOM 333 O PHE A 26 -9.786 17.279 -3.645 1.00 0.00 O ATOM 334 CB PHE A 26 -9.608 14.532 -5.540 1.00 0.00 C ATOM 335 CG PHE A 26 -8.857 14.022 -4.340 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.494 13.781 -4.412 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.518 13.761 -3.148 1.00 0.00 C ATOM 338 CE1 PHE A 26 -6.805 13.295 -3.317 1.00 0.00 C ATOM 339 CE2 PHE A 26 -8.833 13.274 -2.054 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.475 13.040 -2.138 1.00 0.00 C ATOM 0 H PHE A 26 -7.788 16.692 -4.918 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.148 16.274 -6.638 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.636 14.175 -5.483 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.168 14.094 -6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.965 13.975 -5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.580 13.941 -3.076 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.742 13.115 -3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.359 13.076 -1.132 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.938 12.658 -1.282 1.00 0.00 H new ATOM 350 N HIS A 27 -11.701 16.668 -4.642 1.00 0.00 N ATOM 351 CA HIS A 27 -12.549 17.305 -3.648 1.00 0.00 C ATOM 352 C HIS A 27 -13.103 16.283 -2.679 1.00 0.00 C ATOM 353 O HIS A 27 -13.819 15.366 -3.073 1.00 0.00 O ATOM 354 CB HIS A 27 -13.703 18.055 -4.315 1.00 0.00 C ATOM 355 CG HIS A 27 -13.320 19.397 -4.856 1.00 0.00 C ATOM 356 ND1 HIS A 27 -13.698 20.578 -4.258 1.00 0.00 N ATOM 357 CD2 HIS A 27 -12.592 19.744 -5.944 1.00 0.00 C ATOM 358 CE1 HIS A 27 -13.222 21.594 -4.953 1.00 0.00 C ATOM 359 NE2 HIS A 27 -12.545 21.113 -5.978 1.00 0.00 N ATOM 0 H HIS A 27 -12.209 16.190 -5.386 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.934 18.018 -3.099 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.098 17.446 -5.128 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.508 18.182 -3.591 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.134 19.069 -6.652 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.363 22.640 -4.722 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.064 21.671 -6.683 1.00 0.00 H new ATOM 368 N LEU A 28 -12.753 16.442 -1.416 1.00 0.00 N ATOM 369 CA LEU A 28 -13.272 15.598 -0.361 1.00 0.00 C ATOM 370 C LEU A 28 -14.302 16.402 0.418 1.00 0.00 C ATOM 371 O LEU A 28 -13.982 17.445 0.993 1.00 0.00 O ATOM 372 CB LEU A 28 -12.110 15.149 0.551 1.00 0.00 C ATOM 373 CG LEU A 28 -12.405 14.056 1.595 1.00 0.00 C ATOM 374 CD1 LEU A 28 -13.284 14.575 2.721 1.00 0.00 C ATOM 375 CD2 LEU A 28 -13.042 12.843 0.938 1.00 0.00 C ATOM 0 H LEU A 28 -12.102 17.159 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.745 14.704 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.300 14.795 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.739 16.027 1.079 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.452 13.757 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.469 13.774 3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.781 15.402 3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.233 14.922 2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.242 12.083 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.978 13.136 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.364 12.438 0.187 1.00 0.00 H new ATOM 387 N HIS A 29 -15.532 15.929 0.439 1.00 0.00 N ATOM 388 CA HIS A 29 -16.571 16.602 1.199 1.00 0.00 C ATOM 389 C HIS A 29 -16.962 15.761 2.396 1.00 0.00 C ATOM 390 O HIS A 29 -17.040 14.534 2.310 1.00 0.00 O ATOM 391 CB HIS A 29 -17.798 16.941 0.334 1.00 0.00 C ATOM 392 CG HIS A 29 -18.469 15.766 -0.316 1.00 0.00 C ATOM 393 ND1 HIS A 29 -18.320 15.238 -1.551 1.00 0.00 N flip ATOM 394 CD2 HIS A 29 -19.441 15.009 0.304 1.00 0.00 C flip ATOM 395 CE1 HIS A 29 -19.194 14.186 -1.651 1.00 0.00 C flip ATOM 396 NE2 HIS A 29 -19.859 14.070 -0.522 1.00 0.00 N flip ATOM 0 H HIS A 29 -15.837 15.090 -0.055 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.166 17.552 1.550 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -18.529 17.458 0.956 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.491 17.640 -0.444 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -19.803 15.162 1.310 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -19.317 13.554 -2.518 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -20.576 13.373 -0.320 1.00 0.00 H new ATOM 405 N GLY A 30 -17.177 16.422 3.515 1.00 0.00 N ATOM 406 CA GLY A 30 -17.497 15.724 4.732 1.00 0.00 C ATOM 407 C GLY A 30 -18.508 16.474 5.559 1.00 0.00 C ATOM 408 O GLY A 30 -18.374 17.682 5.766 1.00 0.00 O ATOM 0 H GLY A 30 -17.135 17.437 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.886 14.735 4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.588 15.576 5.316 1.00 0.00 H new ATOM 412 N GLU A 31 -19.518 15.759 6.015 1.00 0.00 N ATOM 413 CA GLU A 31 -20.554 16.336 6.857 1.00 0.00 C ATOM 414 C GLU A 31 -20.093 16.387 8.312 1.00 0.00 C ATOM 415 O GLU A 31 -19.150 15.694 8.697 1.00 0.00 O ATOM 416 CB GLU A 31 -21.857 15.540 6.714 1.00 0.00 C ATOM 417 CG GLU A 31 -21.675 14.031 6.752 1.00 0.00 C ATOM 418 CD GLU A 31 -22.976 13.295 6.530 1.00 0.00 C ATOM 419 OE1 GLU A 31 -23.460 13.279 5.377 1.00 0.00 O ATOM 420 OE2 GLU A 31 -23.530 12.743 7.498 1.00 0.00 O ATOM 0 H GLU A 31 -19.646 14.767 5.815 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.745 17.359 6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.537 15.833 7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.335 15.813 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -20.956 13.734 5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -21.255 13.741 7.715 1.00 0.00 H new ATOM 427 N LYS A 32 -20.745 17.245 9.095 1.00 0.00 N ATOM 428 CA LYS A 32 -20.365 17.494 10.486 1.00 0.00 C ATOM 429 C LYS A 32 -20.477 16.239 11.348 1.00 0.00 C ATOM 430 O LYS A 32 -21.552 15.904 11.850 1.00 0.00 O ATOM 431 CB LYS A 32 -21.234 18.609 11.075 1.00 0.00 C ATOM 432 CG LYS A 32 -20.987 19.973 10.454 1.00 0.00 C ATOM 433 CD LYS A 32 -21.980 21.004 10.967 1.00 0.00 C ATOM 434 CE LYS A 32 -21.915 21.156 12.480 1.00 0.00 C ATOM 435 NZ LYS A 32 -22.939 22.108 12.982 1.00 0.00 N ATOM 0 H LYS A 32 -21.551 17.787 8.784 1.00 0.00 H new ATOM 0 HA LYS A 32 -19.319 17.801 10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.284 18.346 10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -21.052 18.670 12.148 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -19.972 20.299 10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -21.064 19.900 9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -21.778 21.967 10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -22.989 20.712 10.675 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -22.061 20.183 12.950 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -20.923 21.503 12.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -22.864 22.185 14.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -22.784 23.043 12.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -23.887 21.764 12.729 1.00 0.00 H new ATOM 449 N GLY A 33 -19.354 15.563 11.520 1.00 0.00 N ATOM 450 CA GLY A 33 -19.307 14.372 12.336 1.00 0.00 C ATOM 451 C GLY A 33 -18.020 13.610 12.119 1.00 0.00 C ATOM 452 O GLY A 33 -16.952 14.215 12.004 1.00 0.00 O ATOM 0 H GLY A 33 -18.461 15.824 11.101 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.398 14.645 13.387 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.156 13.731 12.098 1.00 0.00 H new ATOM 456 N LYS A 34 -18.120 12.296 12.041 1.00 0.00 N ATOM 457 CA LYS A 34 -16.960 11.461 11.782 1.00 0.00 C ATOM 458 C LYS A 34 -17.103 10.802 10.424 1.00 0.00 C ATOM 459 O LYS A 34 -16.312 11.036 9.516 1.00 0.00 O ATOM 460 CB LYS A 34 -16.801 10.379 12.853 1.00 0.00 C ATOM 461 CG LYS A 34 -16.552 10.911 14.251 1.00 0.00 C ATOM 462 CD LYS A 34 -16.255 9.775 15.216 1.00 0.00 C ATOM 463 CE LYS A 34 -15.988 10.283 16.620 1.00 0.00 C ATOM 464 NZ LYS A 34 -15.626 9.178 17.542 1.00 0.00 N ATOM 0 H LYS A 34 -18.994 11.782 12.153 1.00 0.00 H new ATOM 0 HA LYS A 34 -16.075 12.097 11.802 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.701 9.764 12.867 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -15.974 9.727 12.573 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.715 11.609 14.236 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.425 11.467 14.594 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.098 9.084 15.234 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.390 9.214 14.862 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.181 11.016 16.595 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.873 10.796 16.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.451 9.562 18.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.406 8.492 17.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.767 8.704 17.196 1.00 0.00 H new ATOM 478 N LEU A 35 -18.145 10.000 10.288 1.00 0.00 N ATOM 479 CA LEU A 35 -18.385 9.262 9.066 1.00 0.00 C ATOM 480 C LEU A 35 -19.204 10.101 8.098 1.00 0.00 C ATOM 481 O LEU A 35 -20.331 10.500 8.402 1.00 0.00 O ATOM 482 CB LEU A 35 -19.111 7.953 9.374 1.00 0.00 C ATOM 483 CG LEU A 35 -18.432 7.058 10.413 1.00 0.00 C ATOM 484 CD1 LEU A 35 -19.290 5.842 10.698 1.00 0.00 C ATOM 485 CD2 LEU A 35 -17.054 6.626 9.941 1.00 0.00 C ATOM 0 H LEU A 35 -18.842 9.845 11.017 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.426 9.030 8.603 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -20.117 8.188 9.722 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.218 7.389 8.447 1.00 0.00 H new ATOM 0 HG LEU A 35 -18.314 7.633 11.331 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.796 5.213 11.439 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -20.259 6.162 11.082 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -19.434 5.275 9.779 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.593 5.991 10.697 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.147 6.070 9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.432 7.507 9.779 1.00 0.00 H new ATOM 497 N GLY A 36 -18.627 10.372 6.942 1.00 0.00 N ATOM 498 CA GLY A 36 -19.307 11.164 5.939 1.00 0.00 C ATOM 499 C GLY A 36 -18.346 11.825 4.973 1.00 0.00 C ATOM 500 O GLY A 36 -18.670 12.852 4.373 1.00 0.00 O ATOM 0 H GLY A 36 -17.694 10.056 6.677 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -19.995 10.527 5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -19.907 11.930 6.431 1.00 0.00 H new ATOM 504 N GLN A 37 -17.166 11.241 4.817 1.00 0.00 N ATOM 505 CA GLN A 37 -16.168 11.766 3.898 1.00 0.00 C ATOM 506 C GLN A 37 -16.190 11.003 2.576 1.00 0.00 C ATOM 507 O GLN A 37 -15.953 9.794 2.530 1.00 0.00 O ATOM 508 CB GLN A 37 -14.754 11.749 4.515 1.00 0.00 C ATOM 509 CG GLN A 37 -14.324 10.434 5.164 1.00 0.00 C ATOM 510 CD GLN A 37 -15.017 10.171 6.487 1.00 0.00 C ATOM 511 OE1 GLN A 37 -16.048 9.499 6.537 1.00 0.00 O ATOM 512 NE2 GLN A 37 -14.474 10.730 7.558 1.00 0.00 N ATOM 0 H GLN A 37 -16.877 10.401 5.317 1.00 0.00 H new ATOM 0 HA GLN A 37 -16.426 12.806 3.700 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.035 11.999 3.735 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.697 12.538 5.265 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.535 9.612 4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.246 10.449 5.322 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.619 11.279 7.469 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.911 10.612 8.472 1.00 0.00 H new ATOM 521 N TYR A 38 -16.487 11.726 1.507 1.00 0.00 N ATOM 522 CA TYR A 38 -16.632 11.141 0.180 1.00 0.00 C ATOM 523 C TYR A 38 -16.014 12.059 -0.868 1.00 0.00 C ATOM 524 O TYR A 38 -16.018 13.284 -0.706 1.00 0.00 O ATOM 525 CB TYR A 38 -18.117 10.923 -0.141 1.00 0.00 C ATOM 526 CG TYR A 38 -18.828 9.989 0.815 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.739 8.612 0.656 1.00 0.00 C ATOM 528 CD2 TYR A 38 -19.586 10.482 1.876 1.00 0.00 C ATOM 529 CE1 TYR A 38 -19.381 7.749 1.522 1.00 0.00 C ATOM 530 CE2 TYR A 38 -20.231 9.624 2.747 1.00 0.00 C ATOM 531 CZ TYR A 38 -20.125 8.259 2.567 1.00 0.00 C ATOM 532 OH TYR A 38 -20.764 7.402 3.435 1.00 0.00 O ATOM 0 H TYR A 38 -16.635 12.735 1.533 1.00 0.00 H new ATOM 0 HA TYR A 38 -16.117 10.181 0.165 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.624 11.888 -0.133 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -18.204 10.525 -1.152 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -18.157 8.209 -0.160 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -19.670 11.549 2.019 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -19.301 6.681 1.383 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -20.815 10.019 3.565 1.00 0.00 H new ATOM 0 HH TYR A 38 -21.243 7.921 4.114 1.00 0.00 H new ATOM 542 N ILE A 39 -15.477 11.468 -1.929 1.00 0.00 N ATOM 543 CA ILE A 39 -14.878 12.239 -3.015 1.00 0.00 C ATOM 544 C ILE A 39 -15.969 12.813 -3.915 1.00 0.00 C ATOM 545 O ILE A 39 -16.902 12.110 -4.300 1.00 0.00 O ATOM 546 CB ILE A 39 -13.925 11.375 -3.872 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.932 10.615 -2.987 1.00 0.00 C ATOM 548 CG2 ILE A 39 -13.180 12.251 -4.873 1.00 0.00 C ATOM 549 CD1 ILE A 39 -11.983 11.506 -2.222 1.00 0.00 C ATOM 0 H ILE A 39 -15.443 10.457 -2.062 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.302 13.045 -2.561 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.522 10.644 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.489 10.001 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.352 9.935 -3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.512 11.632 -5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.897 12.747 -5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.598 13.001 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.313 10.892 -1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.398 12.101 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.552 12.169 -1.570 1.00 0.00 H new ATOM 561 N ARG A 40 -15.853 14.094 -4.230 1.00 0.00 N ATOM 562 CA ARG A 40 -16.834 14.774 -5.066 1.00 0.00 C ATOM 563 C ARG A 40 -16.387 14.823 -6.519 1.00 0.00 C ATOM 564 O ARG A 40 -17.101 14.382 -7.416 1.00 0.00 O ATOM 565 CB ARG A 40 -17.035 16.211 -4.580 1.00 0.00 C ATOM 566 CG ARG A 40 -17.887 17.054 -5.519 1.00 0.00 C ATOM 567 CD ARG A 40 -19.362 16.956 -5.186 1.00 0.00 C ATOM 568 NE ARG A 40 -19.701 17.789 -4.035 1.00 0.00 N ATOM 569 CZ ARG A 40 -20.923 18.261 -3.788 1.00 0.00 C ATOM 570 NH1 ARG A 40 -21.950 17.895 -4.545 1.00 0.00 N ATOM 571 NH2 ARG A 40 -21.116 19.081 -2.765 1.00 0.00 N ATOM 0 H ARG A 40 -15.085 14.688 -3.918 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.765 14.212 -4.995 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.503 16.192 -3.596 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.061 16.686 -4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.570 18.095 -5.460 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -17.725 16.729 -6.547 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.953 17.265 -6.048 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.622 15.918 -4.976 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.956 18.024 -3.379 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.807 17.249 -5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.882 18.260 -4.351 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -20.331 19.348 -2.171 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -22.049 19.445 -2.572 1.00 0.00 H new ATOM 585 N LEU A 41 -15.197 15.355 -6.740 1.00 0.00 N ATOM 586 CA LEU A 41 -14.737 15.654 -8.083 1.00 0.00 C ATOM 587 C LEU A 41 -13.230 15.479 -8.163 1.00 0.00 C ATOM 588 O LEU A 41 -12.507 15.829 -7.227 1.00 0.00 O ATOM 589 CB LEU A 41 -15.122 17.097 -8.442 1.00 0.00 C ATOM 590 CG LEU A 41 -15.527 17.354 -9.905 1.00 0.00 C ATOM 591 CD1 LEU A 41 -14.361 17.148 -10.862 1.00 0.00 C ATOM 592 CD2 LEU A 41 -16.700 16.466 -10.293 1.00 0.00 C ATOM 0 H LEU A 41 -14.531 15.589 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.206 14.970 -8.790 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.950 17.399 -7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -14.279 17.745 -8.202 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.831 18.398 -9.984 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.690 17.340 -11.883 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.554 17.835 -10.606 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.002 16.122 -10.783 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -16.975 16.659 -11.330 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.417 15.419 -10.181 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -17.550 16.683 -9.646 1.00 0.00 H new ATOM 604 N VAL A 42 -12.770 14.929 -9.271 1.00 0.00 N ATOM 605 CA VAL A 42 -11.349 14.754 -9.514 1.00 0.00 C ATOM 606 C VAL A 42 -10.922 15.616 -10.693 1.00 0.00 C ATOM 607 O VAL A 42 -11.486 15.505 -11.782 1.00 0.00 O ATOM 608 CB VAL A 42 -11.004 13.280 -9.804 1.00 0.00 C ATOM 609 CG1 VAL A 42 -9.512 13.110 -10.030 1.00 0.00 C ATOM 610 CG2 VAL A 42 -11.479 12.386 -8.670 1.00 0.00 C ATOM 0 H VAL A 42 -13.368 14.592 -10.026 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.813 15.058 -8.615 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.522 12.983 -10.716 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.292 12.062 -10.233 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.201 13.717 -10.880 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.970 13.429 -9.139 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.226 11.350 -8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.993 12.686 -7.742 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.559 12.480 -8.560 1.00 0.00 H new ATOM 620 N GLU A 43 -9.948 16.483 -10.468 1.00 0.00 N ATOM 621 CA GLU A 43 -9.474 17.378 -11.503 1.00 0.00 C ATOM 622 C GLU A 43 -8.762 16.586 -12.595 1.00 0.00 C ATOM 623 O GLU A 43 -7.924 15.735 -12.307 1.00 0.00 O ATOM 624 CB GLU A 43 -8.528 18.413 -10.895 1.00 0.00 C ATOM 625 CG GLU A 43 -8.122 19.500 -11.870 1.00 0.00 C ATOM 626 CD GLU A 43 -7.218 20.543 -11.250 1.00 0.00 C ATOM 627 OE1 GLU A 43 -6.009 20.279 -11.114 1.00 0.00 O ATOM 628 OE2 GLU A 43 -7.710 21.642 -10.912 1.00 0.00 O ATOM 0 H GLU A 43 -9.470 16.584 -9.572 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.325 17.894 -11.948 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.009 18.871 -10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.633 17.908 -10.532 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.614 19.046 -12.721 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.017 19.987 -12.256 1.00 0.00 H new ATOM 635 N PRO A 44 -9.093 16.865 -13.866 1.00 0.00 N ATOM 636 CA PRO A 44 -8.502 16.172 -15.021 1.00 0.00 C ATOM 637 C PRO A 44 -6.994 16.370 -15.102 1.00 0.00 C ATOM 638 O PRO A 44 -6.292 15.627 -15.787 1.00 0.00 O ATOM 639 CB PRO A 44 -9.184 16.830 -16.224 1.00 0.00 C ATOM 640 CG PRO A 44 -9.688 18.135 -15.709 1.00 0.00 C ATOM 641 CD PRO A 44 -10.069 17.883 -14.283 1.00 0.00 C ATOM 0 HA PRO A 44 -8.652 15.094 -14.965 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.483 16.973 -17.046 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.999 16.213 -16.603 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.922 18.907 -15.780 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -10.544 18.481 -16.288 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.996 18.787 -13.678 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.094 17.522 -14.195 1.00 0.00 H new ATOM 649 N GLY A 45 -6.508 17.390 -14.413 1.00 0.00 N ATOM 650 CA GLY A 45 -5.090 17.657 -14.379 1.00 0.00 C ATOM 651 C GLY A 45 -4.491 17.412 -13.007 1.00 0.00 C ATOM 652 O GLY A 45 -3.608 18.150 -12.564 1.00 0.00 O ATOM 0 H GLY A 45 -7.077 18.042 -13.873 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.586 17.026 -15.111 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.910 18.691 -14.672 1.00 0.00 H new ATOM 656 N SER A 46 -4.972 16.386 -12.323 1.00 0.00 N ATOM 657 CA SER A 46 -4.448 16.034 -11.016 1.00 0.00 C ATOM 658 C SER A 46 -3.621 14.760 -11.135 1.00 0.00 C ATOM 659 O SER A 46 -3.456 14.239 -12.233 1.00 0.00 O ATOM 660 CB SER A 46 -5.602 15.835 -10.024 1.00 0.00 C ATOM 661 OG SER A 46 -6.426 14.747 -10.404 1.00 0.00 O ATOM 0 H SER A 46 -5.725 15.783 -12.653 1.00 0.00 H new ATOM 0 HA SER A 46 -3.813 16.839 -10.646 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.200 15.658 -9.026 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.199 16.745 -9.971 1.00 0.00 H new ATOM 0 HG SER A 46 -6.866 14.952 -11.255 1.00 0.00 H new ATOM 667 N PRO A 47 -3.013 14.295 -10.037 1.00 0.00 N ATOM 668 CA PRO A 47 -2.464 12.948 -9.949 1.00 0.00 C ATOM 669 C PRO A 47 -3.512 11.933 -9.479 1.00 0.00 C ATOM 670 O PRO A 47 -3.302 10.724 -9.570 1.00 0.00 O ATOM 671 CB PRO A 47 -1.344 13.078 -8.903 1.00 0.00 C ATOM 672 CG PRO A 47 -1.365 14.505 -8.442 1.00 0.00 C ATOM 673 CD PRO A 47 -2.703 15.061 -8.829 1.00 0.00 C ATOM 0 HA PRO A 47 -2.117 12.586 -10.917 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.510 12.397 -8.068 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.376 12.823 -9.335 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.217 14.566 -7.364 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.560 15.074 -8.907 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.449 14.911 -8.048 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.658 16.132 -9.025 1.00 0.00 H new ATOM 681 N ALA A 48 -4.638 12.439 -8.967 1.00 0.00 N ATOM 682 CA ALA A 48 -5.667 11.605 -8.348 1.00 0.00 C ATOM 683 C ALA A 48 -6.272 10.599 -9.322 1.00 0.00 C ATOM 684 O ALA A 48 -6.370 9.409 -9.007 1.00 0.00 O ATOM 685 CB ALA A 48 -6.760 12.480 -7.751 1.00 0.00 C ATOM 0 H ALA A 48 -4.859 13.435 -8.971 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.182 11.032 -7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.521 11.849 -7.293 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.329 13.136 -6.995 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.214 13.083 -8.538 1.00 0.00 H new ATOM 691 N GLU A 49 -6.665 11.064 -10.500 1.00 0.00 N ATOM 692 CA GLU A 49 -7.312 10.193 -11.480 1.00 0.00 C ATOM 693 C GLU A 49 -6.353 9.115 -11.989 1.00 0.00 C ATOM 694 O GLU A 49 -6.758 7.978 -12.243 1.00 0.00 O ATOM 695 CB GLU A 49 -7.913 11.002 -12.643 1.00 0.00 C ATOM 696 CG GLU A 49 -7.286 12.373 -12.881 1.00 0.00 C ATOM 697 CD GLU A 49 -5.852 12.303 -13.356 1.00 0.00 C ATOM 698 OE1 GLU A 49 -4.960 12.045 -12.527 1.00 0.00 O ATOM 699 OE2 GLU A 49 -5.616 12.505 -14.566 1.00 0.00 O ATOM 0 H GLU A 49 -6.550 12.032 -10.802 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.134 9.688 -10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.820 10.415 -13.557 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.979 11.136 -12.457 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.880 12.913 -13.619 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.327 12.949 -11.956 1.00 0.00 H new ATOM 706 N LYS A 50 -5.085 9.471 -12.110 1.00 0.00 N ATOM 707 CA LYS A 50 -4.050 8.527 -12.508 1.00 0.00 C ATOM 708 C LYS A 50 -3.718 7.570 -11.366 1.00 0.00 C ATOM 709 O LYS A 50 -3.334 6.422 -11.596 1.00 0.00 O ATOM 710 CB LYS A 50 -2.796 9.277 -12.961 1.00 0.00 C ATOM 711 CG LYS A 50 -2.991 10.037 -14.264 1.00 0.00 C ATOM 712 CD LYS A 50 -1.829 10.974 -14.554 1.00 0.00 C ATOM 713 CE LYS A 50 -1.726 12.064 -13.500 1.00 0.00 C ATOM 714 NZ LYS A 50 -0.667 13.057 -13.821 1.00 0.00 N ATOM 0 H LYS A 50 -4.744 10.416 -11.937 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.426 7.937 -13.344 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.497 9.977 -12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.979 8.566 -13.081 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.099 9.328 -15.085 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.916 10.611 -14.214 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.899 10.406 -14.585 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.960 11.426 -15.537 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.685 12.574 -13.412 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.516 11.611 -12.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.633 13.781 -13.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.253 12.576 -13.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.880 13.509 -14.733 1.00 0.00 H new ATOM 728 N ALA A 51 -3.871 8.044 -10.133 1.00 0.00 N ATOM 729 CA ALA A 51 -3.681 7.202 -8.957 1.00 0.00 C ATOM 730 C ALA A 51 -4.763 6.130 -8.891 1.00 0.00 C ATOM 731 O ALA A 51 -4.581 5.082 -8.265 1.00 0.00 O ATOM 732 CB ALA A 51 -3.686 8.042 -7.687 1.00 0.00 C ATOM 0 H ALA A 51 -4.127 9.009 -9.922 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.711 6.712 -9.039 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.543 7.394 -6.822 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.878 8.773 -7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.640 8.561 -7.598 1.00 0.00 H new ATOM 738 N GLY A 52 -5.887 6.402 -9.544 1.00 0.00 N ATOM 739 CA GLY A 52 -6.978 5.450 -9.588 1.00 0.00 C ATOM 740 C GLY A 52 -8.165 5.903 -8.770 1.00 0.00 C ATOM 741 O GLY A 52 -9.178 5.211 -8.701 1.00 0.00 O ATOM 0 H GLY A 52 -6.061 7.272 -10.047 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.287 5.302 -10.623 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.631 4.485 -9.218 1.00 0.00 H new ATOM 745 N LEU A 53 -8.033 7.070 -8.156 1.00 0.00 N ATOM 746 CA LEU A 53 -9.075 7.623 -7.305 1.00 0.00 C ATOM 747 C LEU A 53 -10.178 8.240 -8.163 1.00 0.00 C ATOM 748 O LEU A 53 -9.904 9.045 -9.055 1.00 0.00 O ATOM 749 CB LEU A 53 -8.449 8.658 -6.357 1.00 0.00 C ATOM 750 CG LEU A 53 -9.366 9.229 -5.271 1.00 0.00 C ATOM 751 CD1 LEU A 53 -8.553 9.571 -4.034 1.00 0.00 C ATOM 752 CD2 LEU A 53 -10.086 10.472 -5.773 1.00 0.00 C ATOM 0 H LEU A 53 -7.203 7.658 -8.234 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.529 6.834 -6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.588 8.199 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.072 9.487 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.111 8.475 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.212 9.976 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.068 8.671 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.795 10.312 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.732 10.861 -4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.353 11.230 -6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.689 10.216 -6.644 1.00 0.00 H new ATOM 764 N LEU A 54 -11.418 7.853 -7.898 1.00 0.00 N ATOM 765 CA LEU A 54 -12.545 8.280 -8.714 1.00 0.00 C ATOM 766 C LEU A 54 -13.422 9.273 -7.962 1.00 0.00 C ATOM 767 O LEU A 54 -13.366 9.377 -6.733 1.00 0.00 O ATOM 768 CB LEU A 54 -13.383 7.072 -9.138 1.00 0.00 C ATOM 769 CG LEU A 54 -12.651 6.041 -9.999 1.00 0.00 C ATOM 770 CD1 LEU A 54 -13.555 4.852 -10.291 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.172 6.677 -11.294 1.00 0.00 C ATOM 0 H LEU A 54 -11.669 7.242 -7.121 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.147 8.772 -9.601 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.754 6.575 -8.242 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.253 7.429 -9.688 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.782 5.684 -9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.018 4.129 -10.905 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.853 4.382 -9.353 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.443 5.192 -10.824 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.653 5.931 -11.896 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.028 7.060 -11.850 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.491 7.497 -11.066 1.00 0.00 H new ATOM 783 N ALA A 55 -14.233 10.004 -8.714 1.00 0.00 N ATOM 784 CA ALA A 55 -15.133 10.992 -8.142 1.00 0.00 C ATOM 785 C ALA A 55 -16.360 10.313 -7.544 1.00 0.00 C ATOM 786 O ALA A 55 -17.389 10.160 -8.209 1.00 0.00 O ATOM 787 CB ALA A 55 -15.542 12.007 -9.198 1.00 0.00 C ATOM 0 H ALA A 55 -14.285 9.929 -9.730 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.611 11.518 -7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.216 12.741 -8.756 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.655 12.513 -9.580 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.049 11.496 -10.017 1.00 0.00 H new ATOM 793 N GLY A 56 -16.232 9.894 -6.295 1.00 0.00 N ATOM 794 CA GLY A 56 -17.323 9.230 -5.610 1.00 0.00 C ATOM 795 C GLY A 56 -16.839 8.230 -4.575 1.00 0.00 C ATOM 796 O GLY A 56 -17.632 7.715 -3.785 1.00 0.00 O ATOM 0 H GLY A 56 -15.384 10.003 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.950 9.977 -5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.948 8.717 -6.341 1.00 0.00 H new ATOM 800 N ASP A 57 -15.532 7.967 -4.574 1.00 0.00 N ATOM 801 CA ASP A 57 -14.935 6.981 -3.675 1.00 0.00 C ATOM 802 C ASP A 57 -15.090 7.354 -2.205 1.00 0.00 C ATOM 803 O ASP A 57 -15.229 8.527 -1.844 1.00 0.00 O ATOM 804 CB ASP A 57 -13.445 6.802 -3.974 1.00 0.00 C ATOM 805 CG ASP A 57 -13.169 5.760 -5.038 1.00 0.00 C ATOM 806 OD1 ASP A 57 -13.232 4.552 -4.728 1.00 0.00 O ATOM 807 OD2 ASP A 57 -12.849 6.143 -6.180 1.00 0.00 O ATOM 0 H ASP A 57 -14.863 8.427 -5.191 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.473 6.050 -3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.028 7.757 -4.294 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.929 6.520 -3.056 1.00 0.00 H new ATOM 812 N ARG A 58 -15.066 6.327 -1.371 1.00 0.00 N ATOM 813 CA ARG A 58 -15.043 6.480 0.075 1.00 0.00 C ATOM 814 C ARG A 58 -13.629 6.218 0.588 1.00 0.00 C ATOM 815 O ARG A 58 -13.032 5.188 0.266 1.00 0.00 O ATOM 816 CB ARG A 58 -16.035 5.500 0.711 1.00 0.00 C ATOM 817 CG ARG A 58 -15.858 5.314 2.208 1.00 0.00 C ATOM 818 CD ARG A 58 -16.845 4.294 2.751 1.00 0.00 C ATOM 819 NE ARG A 58 -16.551 3.921 4.132 1.00 0.00 N ATOM 820 CZ ARG A 58 -17.468 3.525 5.013 1.00 0.00 C ATOM 821 NH1 ARG A 58 -18.753 3.501 4.682 1.00 0.00 N ATOM 822 NH2 ARG A 58 -17.090 3.143 6.221 1.00 0.00 N ATOM 0 H ARG A 58 -15.062 5.355 -1.681 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.334 7.495 0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -17.049 5.851 0.518 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.934 4.531 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.840 4.988 2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.999 6.268 2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.854 4.702 2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.825 3.403 2.124 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.580 3.967 4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -19.044 3.787 3.747 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -19.449 3.196 5.362 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.102 3.153 6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.787 2.838 6.901 1.00 0.00 H new ATOM 836 N LEU A 59 -13.088 7.153 1.363 1.00 0.00 N ATOM 837 CA LEU A 59 -11.734 7.013 1.893 1.00 0.00 C ATOM 838 C LEU A 59 -11.732 6.142 3.148 1.00 0.00 C ATOM 839 O LEU A 59 -12.516 6.371 4.069 1.00 0.00 O ATOM 840 CB LEU A 59 -11.148 8.391 2.204 1.00 0.00 C ATOM 841 CG LEU A 59 -9.709 8.388 2.726 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.772 7.761 1.707 1.00 0.00 C ATOM 843 CD2 LEU A 59 -9.263 9.802 3.057 1.00 0.00 C ATOM 0 H LEU A 59 -13.563 8.013 1.638 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.116 6.527 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.187 8.997 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.784 8.880 2.942 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.675 7.791 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.754 7.768 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.080 6.733 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.810 8.331 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.238 9.783 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.314 10.419 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.917 10.220 3.822 1.00 0.00 H new ATOM 855 N VAL A 60 -10.855 5.139 3.173 1.00 0.00 N ATOM 856 CA VAL A 60 -10.806 4.198 4.288 1.00 0.00 C ATOM 857 C VAL A 60 -9.602 4.451 5.201 1.00 0.00 C ATOM 858 O VAL A 60 -9.758 4.658 6.409 1.00 0.00 O ATOM 859 CB VAL A 60 -10.765 2.738 3.782 1.00 0.00 C ATOM 860 CG1 VAL A 60 -10.700 1.761 4.946 1.00 0.00 C ATOM 861 CG2 VAL A 60 -11.968 2.439 2.900 1.00 0.00 C ATOM 0 H VAL A 60 -10.172 4.959 2.437 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.716 4.356 4.867 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.862 2.615 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.672 0.741 4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.802 1.953 5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.580 1.888 5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.919 1.406 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.884 2.587 3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.964 3.109 2.040 1.00 0.00 H new ATOM 871 N GLU A 61 -8.401 4.446 4.636 1.00 0.00 N ATOM 872 CA GLU A 61 -7.200 4.611 5.442 1.00 0.00 C ATOM 873 C GLU A 61 -6.240 5.600 4.800 1.00 0.00 C ATOM 874 O GLU A 61 -6.253 5.797 3.581 1.00 0.00 O ATOM 875 CB GLU A 61 -6.505 3.257 5.672 1.00 0.00 C ATOM 876 CG GLU A 61 -5.884 2.639 4.425 1.00 0.00 C ATOM 877 CD GLU A 61 -4.364 2.672 4.437 1.00 0.00 C ATOM 878 OE1 GLU A 61 -3.786 3.776 4.430 1.00 0.00 O ATOM 879 OE2 GLU A 61 -3.740 1.589 4.450 1.00 0.00 O ATOM 0 H GLU A 61 -8.234 4.331 3.636 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.502 5.012 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.726 3.387 6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.231 2.557 6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.218 1.606 4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.246 3.170 3.545 1.00 0.00 H new ATOM 886 N VAL A 62 -5.437 6.236 5.643 1.00 0.00 N ATOM 887 CA VAL A 62 -4.381 7.129 5.196 1.00 0.00 C ATOM 888 C VAL A 62 -3.075 6.747 5.884 1.00 0.00 C ATOM 889 O VAL A 62 -2.952 6.863 7.108 1.00 0.00 O ATOM 890 CB VAL A 62 -4.710 8.613 5.498 1.00 0.00 C ATOM 891 CG1 VAL A 62 -3.526 9.514 5.176 1.00 0.00 C ATOM 892 CG2 VAL A 62 -5.931 9.060 4.712 1.00 0.00 C ATOM 0 H VAL A 62 -5.501 6.146 6.657 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.288 7.024 4.115 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.925 8.695 6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.786 10.549 5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.668 9.218 5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.275 9.421 4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.146 10.104 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.737 8.952 3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.787 8.445 4.989 1.00 0.00 H new ATOM 902 N ASN A 63 -2.130 6.247 5.096 1.00 0.00 N ATOM 903 CA ASN A 63 -0.805 5.867 5.588 1.00 0.00 C ATOM 904 C ASN A 63 -0.866 4.661 6.523 1.00 0.00 C ATOM 905 O ASN A 63 0.001 4.485 7.384 1.00 0.00 O ATOM 906 CB ASN A 63 -0.102 7.039 6.291 1.00 0.00 C ATOM 907 CG ASN A 63 0.392 8.095 5.321 1.00 0.00 C ATOM 908 OD1 ASN A 63 -0.328 9.027 4.977 1.00 0.00 O ATOM 909 ND2 ASN A 63 1.628 7.954 4.872 1.00 0.00 N ATOM 0 H ASN A 63 -2.258 6.092 4.096 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.221 5.589 4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.791 7.498 7.000 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.741 6.658 6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.013 8.634 4.216 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.196 7.165 5.181 1.00 0.00 H new ATOM 916 N GLY A 64 -1.885 3.828 6.354 1.00 0.00 N ATOM 917 CA GLY A 64 -1.940 2.575 7.083 1.00 0.00 C ATOM 918 C GLY A 64 -2.880 2.590 8.268 1.00 0.00 C ATOM 919 O GLY A 64 -3.084 1.560 8.908 1.00 0.00 O ATOM 0 H GLY A 64 -2.672 3.996 5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.247 1.783 6.400 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.938 2.325 7.431 1.00 0.00 H new ATOM 923 N GLU A 65 -3.447 3.740 8.583 1.00 0.00 N ATOM 924 CA GLU A 65 -4.343 3.839 9.721 1.00 0.00 C ATOM 925 C GLU A 65 -5.742 4.246 9.274 1.00 0.00 C ATOM 926 O GLU A 65 -5.907 5.089 8.391 1.00 0.00 O ATOM 927 CB GLU A 65 -3.782 4.817 10.759 1.00 0.00 C ATOM 928 CG GLU A 65 -3.551 6.221 10.228 1.00 0.00 C ATOM 929 CD GLU A 65 -2.733 7.078 11.173 1.00 0.00 C ATOM 930 OE1 GLU A 65 -3.128 7.232 12.347 1.00 0.00 O ATOM 931 OE2 GLU A 65 -1.703 7.631 10.735 1.00 0.00 O ATOM 0 H GLU A 65 -3.305 4.612 8.072 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.420 2.858 10.190 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.470 4.868 11.603 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.839 4.425 11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.042 6.162 9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.514 6.701 10.051 1.00 0.00 H new ATOM 938 N ASN A 66 -6.742 3.608 9.872 1.00 0.00 N ATOM 939 CA ASN A 66 -8.145 3.855 9.547 1.00 0.00 C ATOM 940 C ASN A 66 -8.528 5.286 9.904 1.00 0.00 C ATOM 941 O ASN A 66 -8.431 5.688 11.065 1.00 0.00 O ATOM 942 CB ASN A 66 -9.030 2.874 10.321 1.00 0.00 C ATOM 943 CG ASN A 66 -10.494 2.917 9.916 1.00 0.00 C ATOM 944 OD1 ASN A 66 -11.378 2.764 10.759 1.00 0.00 O ATOM 945 ND2 ASN A 66 -10.760 3.092 8.632 1.00 0.00 N ATOM 0 H ASN A 66 -6.604 2.904 10.597 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.291 3.711 8.476 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.651 1.863 10.173 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.951 3.091 11.386 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.727 3.104 8.309 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.998 3.215 7.965 1.00 0.00 H new ATOM 952 N VAL A 67 -8.963 6.052 8.911 1.00 0.00 N ATOM 953 CA VAL A 67 -9.262 7.463 9.120 1.00 0.00 C ATOM 954 C VAL A 67 -10.742 7.768 8.931 1.00 0.00 C ATOM 955 O VAL A 67 -11.155 8.918 9.035 1.00 0.00 O ATOM 956 CB VAL A 67 -8.448 8.361 8.168 1.00 0.00 C ATOM 957 CG1 VAL A 67 -6.959 8.203 8.428 1.00 0.00 C ATOM 958 CG2 VAL A 67 -8.776 8.044 6.716 1.00 0.00 C ATOM 0 H VAL A 67 -9.116 5.722 7.958 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.984 7.679 10.152 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.722 9.399 8.360 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.401 8.845 7.746 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.737 8.486 9.457 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.670 7.164 8.267 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.190 8.689 6.061 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.535 7.002 6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.838 8.214 6.537 1.00 0.00 H new ATOM 968 N GLU A 68 -11.532 6.738 8.661 1.00 0.00 N ATOM 969 CA GLU A 68 -12.966 6.910 8.437 1.00 0.00 C ATOM 970 C GLU A 68 -13.639 7.541 9.649 1.00 0.00 C ATOM 971 O GLU A 68 -14.540 8.364 9.517 1.00 0.00 O ATOM 972 CB GLU A 68 -13.624 5.563 8.152 1.00 0.00 C ATOM 973 CG GLU A 68 -13.048 4.845 6.947 1.00 0.00 C ATOM 974 CD GLU A 68 -13.599 3.445 6.795 1.00 0.00 C ATOM 975 OE1 GLU A 68 -13.180 2.557 7.565 1.00 0.00 O ATOM 976 OE2 GLU A 68 -14.459 3.231 5.919 1.00 0.00 O ATOM 0 H GLU A 68 -11.207 5.774 8.591 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.088 7.570 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.518 4.924 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.692 5.716 7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.267 5.419 6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.963 4.798 7.039 1.00 0.00 H new ATOM 983 N LYS A 69 -13.177 7.156 10.828 1.00 0.00 N ATOM 984 CA LYS A 69 -13.807 7.579 12.067 1.00 0.00 C ATOM 985 C LYS A 69 -13.136 8.820 12.645 1.00 0.00 C ATOM 986 O LYS A 69 -13.343 9.168 13.810 1.00 0.00 O ATOM 987 CB LYS A 69 -13.804 6.437 13.067 1.00 0.00 C ATOM 988 CG LYS A 69 -14.777 5.350 12.669 1.00 0.00 C ATOM 989 CD LYS A 69 -14.916 4.298 13.736 1.00 0.00 C ATOM 990 CE LYS A 69 -13.764 3.307 13.705 1.00 0.00 C ATOM 991 NZ LYS A 69 -13.955 2.198 14.680 1.00 0.00 N ATOM 0 H LYS A 69 -12.366 6.550 10.952 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.840 7.850 11.849 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.800 6.019 13.141 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.065 6.816 14.055 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.752 5.793 12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.441 4.884 11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.958 4.776 14.715 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.857 3.765 13.601 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.668 2.894 12.701 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.832 3.827 13.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.147 1.545 14.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.021 2.589 15.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.831 1.684 14.454 1.00 0.00 H new ATOM 1005 N GLU A 70 -12.325 9.479 11.828 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.733 10.755 12.197 1.00 0.00 C ATOM 1007 C GLU A 70 -12.668 11.883 11.792 1.00 0.00 C ATOM 1008 O GLU A 70 -13.649 11.651 11.090 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.391 10.930 11.497 1.00 0.00 C ATOM 1010 CG GLU A 70 -9.384 9.855 11.840 1.00 0.00 C ATOM 1011 CD GLU A 70 -8.949 9.908 13.287 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -8.250 10.871 13.669 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -9.294 8.979 14.048 1.00 0.00 O ATOM 0 H GLU A 70 -12.062 9.147 10.900 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.577 10.778 13.276 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.551 10.935 10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.976 11.902 11.762 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.816 8.877 11.630 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.510 9.962 11.197 1.00 0.00 H new ATOM 1020 N THR A 71 -12.369 13.096 12.226 1.00 0.00 N ATOM 1021 CA THR A 71 -13.169 14.241 11.827 1.00 0.00 C ATOM 1022 C THR A 71 -12.829 14.626 10.394 1.00 0.00 C ATOM 1023 O THR A 71 -11.735 14.317 9.916 1.00 0.00 O ATOM 1024 CB THR A 71 -12.941 15.462 12.746 1.00 0.00 C ATOM 1025 OG1 THR A 71 -11.646 16.029 12.512 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.054 15.070 14.209 1.00 0.00 C ATOM 0 H THR A 71 -11.589 13.312 12.846 1.00 0.00 H new ATOM 0 HA THR A 71 -14.217 13.951 11.909 1.00 0.00 H new ATOM 0 HB THR A 71 -13.710 16.199 12.514 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.516 16.802 13.100 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.889 15.947 14.835 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.049 14.668 14.402 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.305 14.313 14.442 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.743 15.298 9.707 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.492 15.725 8.335 1.00 0.00 C ATOM 1036 C HIS A 72 -12.203 16.543 8.252 1.00 0.00 C ATOM 1037 O HIS A 72 -11.380 16.329 7.357 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.681 16.541 7.800 1.00 0.00 C ATOM 1039 CG HIS A 72 -14.400 17.276 6.521 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -14.296 16.651 5.298 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -14.176 18.592 6.288 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -14.019 17.550 4.369 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -13.941 18.734 4.942 1.00 0.00 N ATOM 0 H HIS A 72 -14.659 15.558 10.073 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.375 14.836 7.715 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.525 15.870 7.642 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.984 17.261 8.560 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -14.414 15.651 5.135 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -14.181 19.382 7.024 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.880 17.348 3.317 1.00 0.00 H new ATOM 1052 N GLN A 73 -12.029 17.457 9.195 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.851 18.310 9.221 1.00 0.00 C ATOM 1054 C GLN A 73 -9.579 17.490 9.417 1.00 0.00 C ATOM 1055 O GLN A 73 -8.566 17.742 8.759 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.976 19.357 10.329 1.00 0.00 C ATOM 1057 CG GLN A 73 -9.878 20.409 10.304 1.00 0.00 C ATOM 1058 CD GLN A 73 -9.858 21.204 9.012 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -10.538 22.224 8.886 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -9.074 20.750 8.047 1.00 0.00 N ATOM 0 H GLN A 73 -12.690 17.627 9.953 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.784 18.816 8.258 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.943 19.852 10.241 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.962 18.853 11.296 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.015 21.091 11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.912 19.923 10.442 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.527 19.901 8.191 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.017 21.249 7.159 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.631 16.504 10.309 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.471 15.660 10.568 1.00 0.00 C ATOM 1071 C GLN A 74 -8.128 14.807 9.356 1.00 0.00 C ATOM 1072 O GLN A 74 -6.961 14.701 8.983 1.00 0.00 O ATOM 1073 CB GLN A 74 -8.690 14.767 11.793 1.00 0.00 C ATOM 1074 CG GLN A 74 -8.582 15.513 13.112 1.00 0.00 C ATOM 1075 CD GLN A 74 -7.265 16.252 13.261 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -6.237 15.841 12.718 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -7.287 17.351 13.993 1.00 0.00 N ATOM 0 H GLN A 74 -10.457 16.272 10.860 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.632 16.325 10.773 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.675 14.305 11.725 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.958 13.960 11.780 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.404 16.225 13.191 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.692 14.806 13.934 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.158 17.658 14.426 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.433 17.893 14.125 1.00 0.00 H new ATOM 1086 N VAL A 75 -9.145 14.224 8.731 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.939 13.363 7.571 1.00 0.00 C ATOM 1088 C VAL A 75 -8.221 14.116 6.456 1.00 0.00 C ATOM 1089 O VAL A 75 -7.239 13.625 5.899 1.00 0.00 O ATOM 1090 CB VAL A 75 -10.274 12.801 7.030 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -10.043 11.948 5.794 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -10.985 11.990 8.098 1.00 0.00 C ATOM 0 H VAL A 75 -10.121 14.332 9.008 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.321 12.529 7.902 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.905 13.646 6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.997 11.565 5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.577 12.553 5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.388 11.113 6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.922 11.603 7.698 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.351 11.158 8.406 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.193 12.625 8.959 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.696 15.322 6.161 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.096 16.143 5.118 1.00 0.00 C ATOM 1104 C VAL A 76 -6.654 16.501 5.478 1.00 0.00 C ATOM 1105 O VAL A 76 -5.741 16.338 4.668 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.911 17.437 4.880 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -8.245 18.320 3.834 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -10.334 17.100 4.459 1.00 0.00 C ATOM 0 H VAL A 76 -9.494 15.751 6.630 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.101 15.559 4.198 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.945 17.990 5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.839 19.222 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.246 18.595 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.172 17.776 2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.893 18.021 4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.313 16.520 3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.817 16.517 5.243 1.00 0.00 H new ATOM 1118 N SER A 77 -6.454 16.945 6.714 1.00 0.00 N ATOM 1119 CA SER A 77 -5.147 17.411 7.166 1.00 0.00 C ATOM 1120 C SER A 77 -4.105 16.294 7.145 1.00 0.00 C ATOM 1121 O SER A 77 -2.929 16.551 6.884 1.00 0.00 O ATOM 1122 CB SER A 77 -5.253 17.999 8.572 1.00 0.00 C ATOM 1123 OG SER A 77 -6.234 19.019 8.623 1.00 0.00 O ATOM 0 H SER A 77 -7.184 16.992 7.425 1.00 0.00 H new ATOM 0 HA SER A 77 -4.818 18.185 6.472 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.505 17.211 9.281 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.287 18.403 8.875 1.00 0.00 H new ATOM 0 HG SER A 77 -7.123 18.614 8.705 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.531 15.064 7.430 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.632 13.914 7.386 1.00 0.00 C ATOM 1131 C ARG A 78 -3.034 13.752 5.995 1.00 0.00 C ATOM 1132 O ARG A 78 -1.845 13.481 5.845 1.00 0.00 O ATOM 1133 CB ARG A 78 -4.371 12.635 7.770 1.00 0.00 C ATOM 1134 CG ARG A 78 -4.831 12.596 9.213 1.00 0.00 C ATOM 1135 CD ARG A 78 -5.532 11.286 9.515 1.00 0.00 C ATOM 1136 NE ARG A 78 -5.876 11.146 10.930 1.00 0.00 N ATOM 1137 CZ ARG A 78 -5.238 10.324 11.761 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -4.161 9.674 11.347 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -5.666 10.161 13.007 1.00 0.00 N ATOM 0 H ARG A 78 -5.491 14.840 7.693 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.830 14.092 8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.239 12.520 7.120 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.719 11.782 7.585 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.975 12.718 9.877 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.506 13.429 9.408 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.440 11.217 8.916 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.890 10.457 9.217 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.644 11.707 11.299 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.822 9.804 10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.670 9.044 11.981 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.489 10.667 13.334 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.172 9.530 13.637 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.866 13.930 4.981 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.415 13.832 3.602 1.00 0.00 C ATOM 1155 C ILE A 79 -2.516 15.020 3.260 1.00 0.00 C ATOM 1156 O ILE A 79 -1.545 14.889 2.515 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.612 13.786 2.628 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.660 12.789 3.132 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.149 13.398 1.231 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -6.936 12.774 2.317 1.00 0.00 C ATOM 0 H ILE A 79 -4.858 14.143 5.087 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.850 12.906 3.496 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.060 14.779 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.227 11.789 3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.905 13.027 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.006 13.371 0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.428 14.131 0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.681 12.414 1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.627 12.043 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.395 13.763 2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.706 12.505 1.286 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.839 16.176 3.836 1.00 0.00 N ATOM 1173 CA ARG A 80 -2.055 17.396 3.645 1.00 0.00 C ATOM 1174 C ARG A 80 -0.668 17.249 4.275 1.00 0.00 C ATOM 1175 O ARG A 80 0.281 17.926 3.881 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.769 18.592 4.286 1.00 0.00 C ATOM 1177 CG ARG A 80 -4.210 18.767 3.839 1.00 0.00 C ATOM 1178 CD ARG A 80 -4.312 19.374 2.451 1.00 0.00 C ATOM 1179 NE ARG A 80 -4.082 20.821 2.468 1.00 0.00 N ATOM 1180 CZ ARG A 80 -4.186 21.616 1.398 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -4.450 21.112 0.196 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -4.024 22.926 1.534 1.00 0.00 N ATOM 0 H ARG A 80 -3.648 16.294 4.446 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.949 17.564 2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.748 18.476 5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -2.214 19.501 4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.711 17.799 3.848 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.734 19.404 4.551 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -3.585 18.899 1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -5.299 19.168 2.037 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.825 21.251 3.357 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.576 20.106 0.081 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.526 21.731 -0.611 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.821 23.322 2.452 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.102 23.537 0.721 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.576 16.370 5.268 1.00 0.00 N ATOM 1197 CA ALA A 81 0.653 16.167 6.028 1.00 0.00 C ATOM 1198 C ALA A 81 1.754 15.543 5.177 1.00 0.00 C ATOM 1199 O ALA A 81 2.941 15.791 5.404 1.00 0.00 O ATOM 1200 CB ALA A 81 0.369 15.292 7.237 1.00 0.00 C ATOM 0 H ALA A 81 -1.351 15.779 5.569 1.00 0.00 H new ATOM 0 HA ALA A 81 1.008 17.144 6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.289 15.143 7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.372 15.778 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.014 14.327 6.906 1.00 0.00 H new ATOM 1206 N ALA A 82 1.354 14.730 4.208 1.00 0.00 N ATOM 1207 CA ALA A 82 2.300 14.053 3.332 1.00 0.00 C ATOM 1208 C ALA A 82 3.090 15.057 2.502 1.00 0.00 C ATOM 1209 O ALA A 82 2.535 16.014 1.951 1.00 0.00 O ATOM 1210 CB ALA A 82 1.569 13.078 2.427 1.00 0.00 C ATOM 0 H ALA A 82 0.375 14.523 4.009 1.00 0.00 H new ATOM 0 HA ALA A 82 3.005 13.499 3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.286 12.578 1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.051 12.336 3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.844 13.619 1.819 1.00 0.00 H new ATOM 1216 N LEU A 83 4.394 14.824 2.424 1.00 0.00 N ATOM 1217 CA LEU A 83 5.297 15.715 1.717 1.00 0.00 C ATOM 1218 C LEU A 83 5.145 15.559 0.213 1.00 0.00 C ATOM 1219 O LEU A 83 4.957 16.541 -0.505 1.00 0.00 O ATOM 1220 CB LEU A 83 6.747 15.447 2.129 1.00 0.00 C ATOM 1221 CG LEU A 83 7.058 15.697 3.608 1.00 0.00 C ATOM 1222 CD1 LEU A 83 8.512 15.367 3.909 1.00 0.00 C ATOM 1223 CD2 LEU A 83 6.750 17.142 3.984 1.00 0.00 C ATOM 0 H LEU A 83 4.851 14.016 2.847 1.00 0.00 H new ATOM 0 HA LEU A 83 5.038 16.739 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.990 14.411 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.402 16.074 1.525 1.00 0.00 H new ATOM 0 HG LEU A 83 6.424 15.044 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.716 15.550 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.702 14.319 3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.161 15.995 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.977 17.300 5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.358 17.813 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.694 17.347 3.806 1.00 0.00 H new ATOM 1235 N ASN A 84 5.209 14.325 -0.264 1.00 0.00 N ATOM 1236 CA ASN A 84 5.100 14.064 -1.694 1.00 0.00 C ATOM 1237 C ASN A 84 4.101 12.949 -1.960 1.00 0.00 C ATOM 1238 O ASN A 84 3.114 13.152 -2.657 1.00 0.00 O ATOM 1239 CB ASN A 84 6.466 13.702 -2.291 1.00 0.00 C ATOM 1240 CG ASN A 84 6.453 13.638 -3.813 1.00 0.00 C ATOM 1241 OD1 ASN A 84 5.439 13.329 -4.437 1.00 0.00 O ATOM 1242 ND2 ASN A 84 7.588 13.928 -4.427 1.00 0.00 N ATOM 0 H ASN A 84 5.335 13.493 0.312 1.00 0.00 H new ATOM 0 HA ASN A 84 4.745 14.975 -2.175 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.203 14.438 -1.970 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.785 12.738 -1.895 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.639 13.899 -5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.412 14.181 -3.882 1.00 0.00 H new ATOM 1249 N ALA A 85 4.344 11.779 -1.392 1.00 0.00 N ATOM 1250 CA ALA A 85 3.511 10.624 -1.679 1.00 0.00 C ATOM 1251 C ALA A 85 2.731 10.189 -0.449 1.00 0.00 C ATOM 1252 O ALA A 85 3.275 10.116 0.655 1.00 0.00 O ATOM 1253 CB ALA A 85 4.362 9.477 -2.202 1.00 0.00 C ATOM 0 H ALA A 85 5.105 11.605 -0.735 1.00 0.00 H new ATOM 0 HA ALA A 85 2.792 10.908 -2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.725 8.618 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.868 9.787 -3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.104 9.203 -1.452 1.00 0.00 H new ATOM 1259 N VAL A 86 1.452 9.915 -0.649 1.00 0.00 N ATOM 1260 CA VAL A 86 0.582 9.451 0.418 1.00 0.00 C ATOM 1261 C VAL A 86 -0.322 8.333 -0.098 1.00 0.00 C ATOM 1262 O VAL A 86 -0.748 8.355 -1.255 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.263 10.618 0.994 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -0.976 11.375 -0.116 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.257 10.121 2.035 1.00 0.00 C ATOM 0 H VAL A 86 0.989 10.008 -1.553 1.00 0.00 H new ATOM 0 HA VAL A 86 1.201 9.060 1.225 1.00 0.00 H new ATOM 0 HB VAL A 86 0.421 11.307 1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.561 12.187 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.240 11.785 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.639 10.696 -0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.833 10.963 2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.932 9.398 1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.718 9.646 2.855 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.582 7.337 0.741 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.424 6.220 0.352 1.00 0.00 C ATOM 1277 C ARG A 87 -2.878 6.486 0.694 1.00 0.00 C ATOM 1278 O ARG A 87 -3.233 6.614 1.865 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.979 4.934 1.039 1.00 0.00 C ATOM 1280 CG ARG A 87 0.428 4.493 0.683 1.00 0.00 C ATOM 1281 CD ARG A 87 0.672 3.044 1.078 1.00 0.00 C ATOM 1282 NE ARG A 87 0.505 2.818 2.514 1.00 0.00 N ATOM 1283 CZ ARG A 87 -0.549 2.209 3.064 1.00 0.00 C ATOM 1284 NH1 ARG A 87 -1.570 1.814 2.317 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -0.584 2.000 4.366 1.00 0.00 N ATOM 0 H ARG A 87 -0.221 7.283 1.693 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.325 6.104 -0.727 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.042 5.071 2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.675 4.136 0.778 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.588 4.611 -0.389 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.151 5.136 1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.016 2.401 0.530 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.681 2.756 0.783 1.00 0.00 H new ATOM 0 HE ARG A 87 1.243 3.147 3.137 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.557 1.974 1.310 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.369 1.350 2.749 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.194 2.303 4.952 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.389 1.535 4.786 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.706 6.577 -0.330 1.00 0.00 N ATOM 1300 CA LEU A 88 -5.136 6.743 -0.147 1.00 0.00 C ATOM 1301 C LEU A 88 -5.857 5.461 -0.531 1.00 0.00 C ATOM 1302 O LEU A 88 -5.898 5.093 -1.705 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.671 7.913 -0.993 1.00 0.00 C ATOM 1304 CG LEU A 88 -5.267 9.322 -0.539 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -5.650 9.552 0.913 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -3.784 9.555 -0.741 1.00 0.00 C ATOM 0 H LEU A 88 -3.409 6.538 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.321 6.967 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.333 7.775 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.759 7.857 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.809 10.039 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.354 10.557 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.729 9.442 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.143 8.821 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.526 10.561 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.219 8.826 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.539 9.446 -1.797 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.393 4.760 0.454 1.00 0.00 N ATOM 1319 CA LEU A 89 -7.186 3.578 0.173 1.00 0.00 C ATOM 1320 C LEU A 89 -8.635 3.990 0.005 1.00 0.00 C ATOM 1321 O LEU A 89 -9.221 4.614 0.894 1.00 0.00 O ATOM 1322 CB LEU A 89 -7.045 2.534 1.287 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.520 1.112 0.940 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -9.039 1.021 0.863 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -6.889 0.638 -0.362 1.00 0.00 C ATOM 0 H LEU A 89 -6.295 4.986 1.444 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.825 3.117 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.997 2.484 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.604 2.881 2.156 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.195 0.456 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.330 0.000 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.469 1.298 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.406 1.700 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.238 -0.369 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.173 1.312 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.804 0.632 -0.259 1.00 0.00 H new ATOM 1337 N VAL A 90 -9.206 3.631 -1.128 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.551 4.056 -1.467 1.00 0.00 C ATOM 1339 C VAL A 90 -11.343 2.918 -2.094 1.00 0.00 C ATOM 1340 O VAL A 90 -10.777 2.003 -2.703 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.543 5.269 -2.429 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -10.137 6.540 -1.699 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.612 5.021 -3.608 1.00 0.00 C ATOM 0 H VAL A 90 -8.758 3.044 -1.832 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.031 4.356 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.557 5.397 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.139 7.377 -2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.843 6.738 -0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.137 6.417 -1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.624 5.887 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.598 4.857 -3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.947 4.141 -4.157 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.650 2.975 -1.920 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.554 1.983 -2.478 1.00 0.00 C ATOM 1355 C VAL A 91 -14.902 2.627 -2.794 1.00 0.00 C ATOM 1356 O VAL A 91 -15.285 3.611 -2.154 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.750 0.798 -1.498 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.377 1.257 -0.186 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.585 -0.304 -2.135 1.00 0.00 C ATOM 0 H VAL A 91 -13.116 3.710 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.114 1.597 -3.397 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.763 0.394 -1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.500 0.401 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.729 1.994 0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.351 1.705 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.707 -1.123 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.564 0.091 -2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.082 -0.670 -3.030 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.606 2.088 -3.788 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.966 2.524 -4.080 1.00 0.00 C ATOM 1371 C ASP A 92 -17.822 2.309 -2.844 1.00 0.00 C ATOM 1372 O ASP A 92 -17.838 1.212 -2.290 1.00 0.00 O ATOM 1373 CB ASP A 92 -17.585 1.713 -5.228 1.00 0.00 C ATOM 1374 CG ASP A 92 -16.602 1.320 -6.310 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -15.972 0.247 -6.174 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -16.490 2.050 -7.317 1.00 0.00 O ATOM 0 H ASP A 92 -15.257 1.352 -4.401 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.929 3.574 -4.369 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -18.037 0.810 -4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -18.389 2.296 -5.677 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.534 3.350 -2.385 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.447 3.248 -1.241 1.00 0.00 C ATOM 1383 C PRO A 93 -20.490 2.149 -1.431 1.00 0.00 C ATOM 1384 O PRO A 93 -21.035 1.624 -0.459 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.117 4.623 -1.192 1.00 0.00 C ATOM 1386 CG PRO A 93 -19.141 5.533 -1.850 1.00 0.00 C ATOM 1387 CD PRO A 93 -18.487 4.718 -2.930 1.00 0.00 C ATOM 0 HA PRO A 93 -18.922 2.986 -0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -21.072 4.619 -1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.318 4.931 -0.166 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.641 6.407 -2.268 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.404 5.899 -1.135 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -19.024 4.795 -3.875 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.464 5.043 -3.118 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.767 1.819 -2.691 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.656 0.716 -3.027 1.00 0.00 C ATOM 1397 C GLU A 94 -20.964 -0.613 -2.736 1.00 0.00 C ATOM 1398 O GLU A 94 -21.535 -1.506 -2.114 1.00 0.00 O ATOM 1399 CB GLU A 94 -22.061 0.770 -4.507 1.00 0.00 C ATOM 1400 CG GLU A 94 -22.809 2.035 -4.921 1.00 0.00 C ATOM 1401 CD GLU A 94 -21.933 3.275 -4.937 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -20.725 3.152 -5.224 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -22.453 4.381 -4.676 1.00 0.00 O ATOM 0 H GLU A 94 -20.383 2.307 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.555 0.804 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -21.163 0.679 -5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -22.687 -0.094 -4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.236 1.888 -5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.642 2.196 -4.237 1.00 0.00 H new ATOM 1410 N THR A 95 -19.716 -0.716 -3.177 1.00 0.00 N ATOM 1411 CA THR A 95 -18.920 -1.922 -2.996 1.00 0.00 C ATOM 1412 C THR A 95 -18.523 -2.098 -1.530 1.00 0.00 C ATOM 1413 O THR A 95 -18.323 -3.221 -1.060 1.00 0.00 O ATOM 1414 CB THR A 95 -17.653 -1.871 -3.866 1.00 0.00 C ATOM 1415 OG1 THR A 95 -17.987 -1.411 -5.181 1.00 0.00 O ATOM 1416 CG2 THR A 95 -17.004 -3.243 -3.963 1.00 0.00 C ATOM 0 H THR A 95 -19.229 0.033 -3.669 1.00 0.00 H new ATOM 0 HA THR A 95 -19.531 -2.771 -3.302 1.00 0.00 H new ATOM 0 HB THR A 95 -16.947 -1.183 -3.400 1.00 0.00 H new ATOM 0 HG1 THR A 95 -17.211 -0.964 -5.578 1.00 0.00 H new ATOM 0 HG21 THR A 95 -16.110 -3.180 -4.584 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.730 -3.587 -2.966 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.706 -3.947 -4.409 1.00 0.00 H new ATOM 1424 N ASP A 96 -18.426 -0.980 -0.816 1.00 0.00 N ATOM 1425 CA ASP A 96 -18.073 -0.975 0.608 1.00 0.00 C ATOM 1426 C ASP A 96 -19.062 -1.810 1.418 1.00 0.00 C ATOM 1427 O ASP A 96 -18.691 -2.442 2.408 1.00 0.00 O ATOM 1428 CB ASP A 96 -18.047 0.465 1.132 1.00 0.00 C ATOM 1429 CG ASP A 96 -17.939 0.553 2.644 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -16.822 0.402 3.176 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -18.976 0.807 3.298 1.00 0.00 O ATOM 0 H ASP A 96 -18.589 -0.051 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 96 -17.083 -1.417 0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -17.205 0.992 0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -18.953 0.978 0.809 1.00 0.00 H new ATOM 1436 N GLU A 97 -20.311 -1.841 0.964 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.341 -2.646 1.610 1.00 0.00 C ATOM 1438 C GLU A 97 -20.937 -4.118 1.602 1.00 0.00 C ATOM 1439 O GLU A 97 -21.120 -4.836 2.582 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.678 -2.471 0.890 1.00 0.00 C ATOM 1441 CG GLU A 97 -23.811 -3.271 1.507 1.00 0.00 C ATOM 1442 CD GLU A 97 -25.056 -3.267 0.650 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -25.174 -4.145 -0.230 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -25.920 -2.389 0.852 1.00 0.00 O ATOM 0 H GLU A 97 -20.634 -1.317 0.151 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.449 -2.312 2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.947 -1.415 0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -22.561 -2.767 -0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.483 -4.299 1.661 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -24.048 -2.861 2.489 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.400 -4.557 0.475 1.00 0.00 N ATOM 1452 CA GLN A 98 -19.890 -5.913 0.340 1.00 0.00 C ATOM 1453 C GLN A 98 -18.594 -6.078 1.128 1.00 0.00 C ATOM 1454 O GLN A 98 -18.381 -7.084 1.797 1.00 0.00 O ATOM 1455 CB GLN A 98 -19.651 -6.232 -1.134 1.00 0.00 C ATOM 1456 CG GLN A 98 -19.337 -7.691 -1.406 1.00 0.00 C ATOM 1457 CD GLN A 98 -19.046 -7.951 -2.868 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -18.435 -6.983 -3.534 1.00 0.00 O flip ATOM 1459 NE2 GLN A 98 -19.351 -9.018 -3.393 1.00 0.00 N flip ATOM 0 H GLN A 98 -20.305 -3.989 -0.367 1.00 0.00 H new ATOM 0 HA GLN A 98 -20.629 -6.606 0.741 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -20.535 -5.949 -1.705 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -18.827 -5.619 -1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -18.478 -7.994 -0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -20.179 -8.307 -1.090 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -19.821 -9.739 -2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -19.134 -9.183 -4.376 1.00 0.00 H new ATOM 1468 N LEU A 99 -17.739 -5.066 1.058 1.00 0.00 N ATOM 1469 CA LEU A 99 -16.405 -5.144 1.644 1.00 0.00 C ATOM 1470 C LEU A 99 -16.453 -5.231 3.167 1.00 0.00 C ATOM 1471 O LEU A 99 -15.619 -5.903 3.776 1.00 0.00 O ATOM 1472 CB LEU A 99 -15.547 -3.961 1.209 1.00 0.00 C ATOM 1473 CG LEU A 99 -15.276 -3.865 -0.296 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -13.917 -3.243 -0.530 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -15.358 -5.233 -0.971 1.00 0.00 C ATOM 0 H LEU A 99 -17.945 -4.178 0.600 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.949 -6.063 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.035 -3.042 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.591 -4.016 1.730 1.00 0.00 H new ATOM 0 HG LEU A 99 -16.046 -3.234 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.727 -3.176 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.894 -2.244 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.149 -3.860 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -15.160 -5.125 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.618 -5.901 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.355 -5.650 -0.827 1.00 0.00 H new ATOM 1487 N GLN A 100 -17.424 -4.557 3.778 1.00 0.00 N ATOM 1488 CA GLN A 100 -17.613 -4.643 5.225 1.00 0.00 C ATOM 1489 C GLN A 100 -17.951 -6.079 5.622 1.00 0.00 C ATOM 1490 O GLN A 100 -17.571 -6.545 6.697 1.00 0.00 O ATOM 1491 CB GLN A 100 -18.709 -3.684 5.711 1.00 0.00 C ATOM 1492 CG GLN A 100 -20.107 -4.051 5.242 1.00 0.00 C ATOM 1493 CD GLN A 100 -21.191 -3.178 5.844 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -20.969 -2.008 6.157 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -22.371 -3.750 6.025 1.00 0.00 N ATOM 0 H GLN A 100 -18.088 -3.949 3.299 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.680 -4.346 5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -18.698 -3.659 6.801 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -18.474 -2.677 5.367 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -20.150 -3.974 4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -20.306 -5.092 5.496 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -22.514 -4.722 5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -23.138 -3.218 6.438 1.00 0.00 H new ATOM 1504 N LYS A 101 -18.668 -6.770 4.740 1.00 0.00 N ATOM 1505 CA LYS A 101 -19.058 -8.154 4.964 1.00 0.00 C ATOM 1506 C LYS A 101 -17.836 -9.065 4.917 1.00 0.00 C ATOM 1507 O LYS A 101 -17.805 -10.118 5.560 1.00 0.00 O ATOM 1508 CB LYS A 101 -20.077 -8.584 3.907 1.00 0.00 C ATOM 1509 CG LYS A 101 -21.402 -7.848 4.002 1.00 0.00 C ATOM 1510 CD LYS A 101 -22.274 -8.409 5.117 1.00 0.00 C ATOM 1511 CE LYS A 101 -23.164 -9.549 4.631 1.00 0.00 C ATOM 1512 NZ LYS A 101 -22.397 -10.637 3.966 1.00 0.00 N ATOM 0 H LYS A 101 -18.993 -6.385 3.853 1.00 0.00 H new ATOM 0 HA LYS A 101 -19.513 -8.236 5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -19.651 -8.421 2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -20.258 -9.654 4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -21.219 -6.788 4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -21.931 -7.925 3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -21.639 -8.766 5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -22.896 -7.613 5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -23.712 -9.962 5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -23.904 -9.154 3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -23.035 -11.428 3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -21.977 -10.277 3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -21.641 -10.967 4.600 1.00 0.00 H new ATOM 1526 N LEU A 102 -16.836 -8.652 4.151 1.00 0.00 N ATOM 1527 CA LEU A 102 -15.591 -9.396 4.045 1.00 0.00 C ATOM 1528 C LEU A 102 -14.698 -9.101 5.248 1.00 0.00 C ATOM 1529 O LEU A 102 -14.309 -10.008 5.985 1.00 0.00 O ATOM 1530 CB LEU A 102 -14.870 -9.040 2.741 1.00 0.00 C ATOM 1531 CG LEU A 102 -15.731 -9.132 1.479 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -14.935 -8.720 0.250 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -16.286 -10.537 1.308 1.00 0.00 C ATOM 0 H LEU A 102 -16.865 -7.800 3.591 1.00 0.00 H new ATOM 0 HA LEU A 102 -15.818 -10.462 4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -14.481 -8.025 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -14.012 -9.702 2.626 1.00 0.00 H new ATOM 0 HG LEU A 102 -16.568 -8.443 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -15.568 -8.793 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -14.592 -7.692 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -14.074 -9.379 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -16.895 -10.580 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -15.462 -11.246 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -16.899 -10.794 2.172 1.00 0.00 H new ATOM 1545 N GLY A 103 -14.374 -7.821 5.431 1.00 0.00 N ATOM 1546 CA GLY A 103 -13.676 -7.372 6.627 1.00 0.00 C ATOM 1547 C GLY A 103 -12.179 -7.633 6.609 1.00 0.00 C ATOM 1548 O GLY A 103 -11.388 -6.760 6.970 1.00 0.00 O ATOM 0 H GLY A 103 -14.586 -7.079 4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.846 -6.303 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -14.110 -7.868 7.495 1.00 0.00 H new ATOM 1552 N VAL A 104 -11.795 -8.826 6.187 1.00 0.00 N ATOM 1553 CA VAL A 104 -10.406 -9.262 6.261 1.00 0.00 C ATOM 1554 C VAL A 104 -9.681 -9.067 4.925 1.00 0.00 C ATOM 1555 O VAL A 104 -10.292 -9.180 3.859 1.00 0.00 O ATOM 1556 CB VAL A 104 -10.330 -10.748 6.695 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -10.969 -11.657 5.656 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -8.895 -11.170 6.970 1.00 0.00 C ATOM 0 H VAL A 104 -12.430 -9.517 5.786 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.906 -8.644 7.007 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.893 -10.847 7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.901 -12.693 5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.017 -11.385 5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.448 -11.545 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.875 -12.217 7.272 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.299 -11.042 6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.481 -10.554 7.768 1.00 0.00 H new ATOM 1568 N GLN A 105 -8.387 -8.728 5.009 1.00 0.00 N ATOM 1569 CA GLN A 105 -7.487 -8.627 3.848 1.00 0.00 C ATOM 1570 C GLN A 105 -7.765 -7.393 2.988 1.00 0.00 C ATOM 1571 O GLN A 105 -6.848 -6.627 2.681 1.00 0.00 O ATOM 1572 CB GLN A 105 -7.549 -9.893 2.984 1.00 0.00 C ATOM 1573 CG GLN A 105 -6.881 -11.106 3.614 1.00 0.00 C ATOM 1574 CD GLN A 105 -5.390 -10.916 3.818 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -4.734 -10.200 3.065 1.00 0.00 O ATOM 1576 NE2 GLN A 105 -4.843 -11.556 4.839 1.00 0.00 N ATOM 0 H GLN A 105 -7.929 -8.513 5.895 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.481 -8.522 4.255 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.593 -10.131 2.781 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.076 -9.688 2.024 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.351 -11.316 4.575 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.048 -11.977 2.981 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.420 -12.142 5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.844 -11.464 5.023 1.00 0.00 H new ATOM 1585 N VAL A 106 -9.025 -7.190 2.623 1.00 0.00 N ATOM 1586 CA VAL A 106 -9.413 -6.120 1.702 1.00 0.00 C ATOM 1587 C VAL A 106 -9.152 -4.729 2.275 1.00 0.00 C ATOM 1588 O VAL A 106 -9.335 -3.731 1.584 1.00 0.00 O ATOM 1589 CB VAL A 106 -10.899 -6.225 1.296 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -11.139 -7.475 0.468 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -11.801 -6.215 2.523 1.00 0.00 C ATOM 0 H VAL A 106 -9.806 -7.757 2.953 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.787 -6.253 0.820 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.146 -5.355 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -12.192 -7.532 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.528 -7.437 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -10.869 -8.355 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -12.842 -6.290 2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -11.553 -7.061 3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -11.654 -5.287 3.075 1.00 0.00 H new ATOM 1601 N ARG A 107 -8.728 -4.662 3.533 1.00 0.00 N ATOM 1602 CA ARG A 107 -8.388 -3.387 4.150 1.00 0.00 C ATOM 1603 C ARG A 107 -7.169 -2.773 3.461 1.00 0.00 C ATOM 1604 O ARG A 107 -7.132 -1.565 3.224 1.00 0.00 O ATOM 1605 CB ARG A 107 -8.108 -3.555 5.646 1.00 0.00 C ATOM 1606 CG ARG A 107 -9.259 -4.173 6.423 1.00 0.00 C ATOM 1607 CD ARG A 107 -8.977 -4.187 7.920 1.00 0.00 C ATOM 1608 NE ARG A 107 -9.980 -4.946 8.668 1.00 0.00 N ATOM 1609 CZ ARG A 107 -10.154 -4.853 9.989 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -9.481 -3.950 10.695 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -11.028 -5.642 10.603 1.00 0.00 N ATOM 0 H ARG A 107 -8.612 -5.472 4.142 1.00 0.00 H new ATOM 0 HA ARG A 107 -9.242 -2.720 4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.222 -4.177 5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -7.876 -2.580 6.074 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -10.173 -3.612 6.229 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -9.430 -5.191 6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.992 -4.618 8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.948 -3.163 8.292 1.00 0.00 H new ATOM 0 HE ARG A 107 -10.583 -5.585 8.149 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.826 -3.322 10.228 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.619 -3.885 11.704 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.568 -6.321 10.066 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.160 -5.570 11.612 1.00 0.00 H new ATOM 1625 N GLU A 108 -6.190 -3.626 3.135 1.00 0.00 N ATOM 1626 CA GLU A 108 -4.950 -3.195 2.476 1.00 0.00 C ATOM 1627 C GLU A 108 -3.979 -4.373 2.365 1.00 0.00 C ATOM 1628 O GLU A 108 -3.244 -4.499 1.385 1.00 0.00 O ATOM 1629 CB GLU A 108 -4.298 -2.035 3.250 1.00 0.00 C ATOM 1630 CG GLU A 108 -3.155 -1.344 2.518 1.00 0.00 C ATOM 1631 CD GLU A 108 -1.797 -1.866 2.933 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -1.344 -1.526 4.048 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -1.175 -2.612 2.155 1.00 0.00 O ATOM 0 H GLU A 108 -6.234 -4.628 3.319 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.194 -2.842 1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.064 -1.295 3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.925 -2.415 4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.280 -1.482 1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.202 -0.272 2.709 1.00 0.00 H new ATOM 1640 N GLU A 109 -4.026 -5.256 3.364 1.00 0.00 N ATOM 1641 CA GLU A 109 -3.115 -6.400 3.465 1.00 0.00 C ATOM 1642 C GLU A 109 -3.133 -7.259 2.196 1.00 0.00 C ATOM 1643 O GLU A 109 -2.103 -7.789 1.782 1.00 0.00 O ATOM 1644 CB GLU A 109 -3.515 -7.257 4.670 1.00 0.00 C ATOM 1645 CG GLU A 109 -2.538 -8.377 5.002 1.00 0.00 C ATOM 1646 CD GLU A 109 -1.238 -7.863 5.580 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -1.283 -7.115 6.582 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -0.165 -8.227 5.058 1.00 0.00 O ATOM 0 H GLU A 109 -4.699 -5.199 4.129 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.103 -6.016 3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -3.616 -6.610 5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -4.496 -7.692 4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.002 -9.060 5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.328 -8.951 4.099 1.00 0.00 H new ATOM 1655 N LEU A 110 -4.307 -7.365 1.578 1.00 0.00 N ATOM 1656 CA LEU A 110 -4.505 -8.208 0.396 1.00 0.00 C ATOM 1657 C LEU A 110 -3.569 -7.801 -0.744 1.00 0.00 C ATOM 1658 O LEU A 110 -3.084 -8.650 -1.493 1.00 0.00 O ATOM 1659 CB LEU A 110 -5.980 -8.124 -0.046 1.00 0.00 C ATOM 1660 CG LEU A 110 -6.446 -9.134 -1.110 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -6.047 -8.687 -2.508 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -5.892 -10.521 -0.812 1.00 0.00 C ATOM 0 H LEU A 110 -5.147 -6.871 1.879 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.264 -9.239 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.607 -8.248 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.163 -7.120 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.534 -9.180 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.390 -9.421 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.502 -7.721 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.962 -8.598 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.233 -11.221 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.803 -10.485 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.244 -10.851 0.165 1.00 0.00 H new ATOM 1850 N THR B 3 -14.285 20.395 0.459 1.00 0.00 N ATOM 1851 CA THR B 3 -12.886 20.795 0.536 1.00 0.00 C ATOM 1852 C THR B 3 -12.055 20.181 -0.596 1.00 0.00 C ATOM 1853 O THR B 3 -12.383 19.117 -1.117 1.00 0.00 O ATOM 1854 CB THR B 3 -12.299 20.362 1.895 1.00 0.00 C ATOM 1855 OG1 THR B 3 -13.276 20.564 2.932 1.00 0.00 O ATOM 1856 CG2 THR B 3 -11.037 21.148 2.228 1.00 0.00 C ATOM 0 HA THR B 3 -12.844 21.879 0.434 1.00 0.00 H new ATOM 0 HB THR B 3 -12.038 19.306 1.829 1.00 0.00 H new ATOM 0 HG1 THR B 3 -13.194 19.853 3.601 1.00 0.00 H new ATOM 0 HG21 THR B 3 -10.648 20.820 3.192 1.00 0.00 H new ATOM 0 HG22 THR B 3 -10.287 20.976 1.456 1.00 0.00 H new ATOM 0 HG23 THR B 3 -11.272 22.211 2.275 1.00 0.00 H new ATOM 1864 N ARG B 4 -10.986 20.865 -0.982 1.00 0.00 N ATOM 1865 CA ARG B 4 -10.067 20.351 -1.987 1.00 0.00 C ATOM 1866 C ARG B 4 -8.796 19.840 -1.321 1.00 0.00 C ATOM 1867 O ARG B 4 -8.289 20.460 -0.388 1.00 0.00 O ATOM 1868 CB ARG B 4 -9.708 21.441 -3.004 1.00 0.00 C ATOM 1869 CG ARG B 4 -8.732 20.971 -4.077 1.00 0.00 C ATOM 1870 CD ARG B 4 -8.175 22.138 -4.875 1.00 0.00 C ATOM 1871 NE ARG B 4 -7.437 23.074 -4.028 1.00 0.00 N ATOM 1872 CZ ARG B 4 -7.407 24.394 -4.222 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -8.050 24.935 -5.247 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -6.731 25.177 -3.393 1.00 0.00 N ATOM 0 H ARG B 4 -10.734 21.781 -0.612 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.559 19.531 -2.510 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -10.621 21.795 -3.484 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -9.275 22.291 -2.477 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -7.913 20.424 -3.610 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -9.236 20.277 -4.750 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -7.518 21.761 -5.659 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -8.992 22.663 -5.370 1.00 0.00 H new ATOM 0 HE ARG B 4 -6.912 22.694 -3.240 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -8.571 24.342 -5.893 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -8.024 25.945 -5.390 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -6.231 24.771 -2.602 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -6.711 26.185 -3.546 1.00 0.00 H new ATOM 1888 N LEU B 5 -8.303 18.708 -1.791 1.00 0.00 N ATOM 1889 CA LEU B 5 -7.049 18.153 -1.304 1.00 0.00 C ATOM 1890 C LEU B 5 -5.899 18.589 -2.196 1.00 0.00 C ATOM 1891 O LEU B 5 -4.974 19.250 -1.688 1.00 0.00 O ATOM 1892 CB LEU B 5 -7.117 16.624 -1.243 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.554 16.039 0.102 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -6.577 16.443 1.193 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -8.961 16.489 0.459 1.00 0.00 C ATOM 1896 OXT LEU B 5 -5.939 18.283 -3.406 1.00 0.00 O ATOM 0 H LEU B 5 -8.755 18.150 -2.515 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.878 18.530 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -7.807 16.277 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -6.134 16.223 -1.492 1.00 0.00 H new ATOM 0 HG LEU B 5 -7.557 14.952 0.017 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -6.899 16.020 2.145 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -5.583 16.069 0.948 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -6.547 17.530 1.270 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -9.248 16.060 1.419 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -8.989 17.577 0.525 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -9.656 16.154 -0.311 1.00 0.00 H new