USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 844 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 126 HIS : no HD1:sc= -4.96! C(o=-6.5!,f=-6.1!) USER MOD Set 1.2: A 130 ASN : amide:sc= -1.51 K(o=-6.5,f=-13!) USER MOD Set 2.1: A 70 SER OG : rot 180:sc= 0.269 USER MOD Set 2.2: A 81 THR OG1 : rot -69:sc= 0.286 USER MOD Set 3.1: A 27 SER OG : rot 59:sc= -0.506! USER MOD Set 3.2: A 37 ASN : amide:sc= -3.04! C(o=-3.5!,f=-12!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0488 X(o=-0.049,f=-0.38) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 177:sc= -1.3 USER MOD Single : A 26 THR OG1 : rot -105:sc= 1.26 USER MOD Single : A 35 MET CE :methyl 172:sc= -4.73! (180deg=-5.07!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0.622 K(o=0.62,f=-2.7!) USER MOD Single : A 46 HIS : no HD1:sc= -0.55 X(o=-0.55,f=-0.57) USER MOD Single : A 48 HIS : no HD1:sc= -0.152 K(o=-0.15,f=-0.76) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -69:sc= 1.03 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 53:sc= -1.86 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -63:sc= 0.233 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-1.8) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 91 THR OG1 : rot 90:sc= 0.075 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -3.19! K(o=-3.2!,f=-1.1) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.011 K(o=-0.011,f=-1) USER MOD ----------------------------------------------------------------- ATOM 101 N ILE A 7 -2.217 8.522 -6.978 1.00 0.00 N ATOM 102 CA ILE A 7 -2.514 8.560 -5.556 1.00 0.00 C ATOM 103 C ILE A 7 -1.227 8.324 -4.764 1.00 0.00 C ATOM 104 O ILE A 7 -1.126 7.355 -4.013 1.00 0.00 O ATOM 105 CB ILE A 7 -3.635 7.576 -5.217 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.969 8.039 -5.807 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.725 7.347 -3.707 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.951 6.871 -5.926 1.00 0.00 C ATOM 0 HA ILE A 7 -2.888 9.543 -5.271 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.397 6.616 -5.675 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.399 8.817 -5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.803 8.480 -6.790 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.530 6.644 -3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.781 6.940 -3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.928 8.294 -3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.891 7.227 -6.348 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.528 6.105 -6.576 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.134 6.448 -4.938 1.00 0.00 H new ATOM 120 N LYS A 8 -0.276 9.225 -4.958 1.00 0.00 N ATOM 121 CA LYS A 8 1.000 9.127 -4.271 1.00 0.00 C ATOM 122 C LYS A 8 0.921 9.886 -2.945 1.00 0.00 C ATOM 123 O LYS A 8 0.615 11.078 -2.925 1.00 0.00 O ATOM 124 CB LYS A 8 2.137 9.597 -5.181 1.00 0.00 C ATOM 125 CG LYS A 8 3.403 9.885 -4.373 1.00 0.00 C ATOM 126 CD LYS A 8 4.565 10.268 -5.292 1.00 0.00 C ATOM 127 CE LYS A 8 5.218 11.575 -4.835 1.00 0.00 C ATOM 128 NZ LYS A 8 4.809 12.693 -5.713 1.00 0.00 N ATOM 0 H LYS A 8 -0.364 10.027 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 8 1.223 8.087 -4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.346 8.834 -5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.831 10.496 -5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.212 10.693 -3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.672 9.006 -3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.307 9.469 -5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.204 10.376 -6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.933 11.790 -3.805 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.303 11.471 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.261 13.572 -5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.103 12.492 -6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.775 12.802 -5.678 1.00 0.00 H new ATOM 142 N LYS A 9 1.201 9.166 -1.869 1.00 0.00 N ATOM 143 CA LYS A 9 1.165 9.757 -0.542 1.00 0.00 C ATOM 144 C LYS A 9 2.459 9.413 0.200 1.00 0.00 C ATOM 145 O LYS A 9 3.247 8.593 -0.267 1.00 0.00 O ATOM 146 CB LYS A 9 -0.102 9.329 0.201 1.00 0.00 C ATOM 147 CG LYS A 9 -1.356 9.722 -0.582 1.00 0.00 C ATOM 148 CD LYS A 9 -1.986 10.992 -0.008 1.00 0.00 C ATOM 149 CE LYS A 9 -3.311 11.310 -0.703 1.00 0.00 C ATOM 150 NZ LYS A 9 -3.448 12.768 -0.916 1.00 0.00 N ATOM 0 H LYS A 9 1.454 8.178 -1.889 1.00 0.00 H new ATOM 0 HA LYS A 9 1.115 10.844 -0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.090 8.250 0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.124 9.793 1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.100 9.880 -1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.079 8.907 -0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.153 10.867 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.298 11.829 -0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.360 10.791 -1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.142 10.945 -0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.353 12.966 -1.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.422 13.257 0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.665 13.107 -1.511 1.00 0.00 H new ATOM 164 N GLU A 10 2.637 10.059 1.343 1.00 0.00 N ATOM 165 CA GLU A 10 3.821 9.832 2.154 1.00 0.00 C ATOM 166 C GLU A 10 3.479 9.956 3.640 1.00 0.00 C ATOM 167 O GLU A 10 2.680 10.808 4.027 1.00 0.00 O ATOM 168 CB GLU A 10 4.943 10.798 1.767 1.00 0.00 C ATOM 169 CG GLU A 10 6.220 10.498 2.555 1.00 0.00 C ATOM 170 CD GLU A 10 6.317 11.383 3.799 1.00 0.00 C ATOM 171 OE1 GLU A 10 6.565 12.595 3.615 1.00 0.00 O ATOM 172 OE2 GLU A 10 6.142 10.829 4.906 1.00 0.00 O ATOM 0 H GLU A 10 1.981 10.740 1.727 1.00 0.00 H new ATOM 0 HA GLU A 10 4.177 8.819 1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.144 10.719 0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.627 11.824 1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.232 9.448 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.090 10.661 1.920 1.00 0.00 H new ATOM 179 N VAL A 11 4.100 9.095 4.431 1.00 0.00 N ATOM 180 CA VAL A 11 3.871 9.097 5.866 1.00 0.00 C ATOM 181 C VAL A 11 5.199 8.868 6.591 1.00 0.00 C ATOM 182 O VAL A 11 6.128 8.295 6.024 1.00 0.00 O ATOM 183 CB VAL A 11 2.806 8.060 6.228 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.418 8.517 5.774 1.00 0.00 C ATOM 185 CG2 VAL A 11 3.152 6.691 5.639 1.00 0.00 C ATOM 0 H VAL A 11 4.762 8.391 4.106 1.00 0.00 H new ATOM 0 HA VAL A 11 3.487 10.064 6.189 1.00 0.00 H new ATOM 0 HB VAL A 11 2.788 7.963 7.314 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.680 7.762 6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.168 9.459 6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.416 8.656 4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.379 5.972 5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.211 6.767 4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.112 6.358 6.033 1.00 0.00 H new ATOM 195 N ARG A 12 5.246 9.328 7.832 1.00 0.00 N ATOM 196 CA ARG A 12 6.445 9.181 8.640 1.00 0.00 C ATOM 197 C ARG A 12 6.104 8.529 9.982 1.00 0.00 C ATOM 198 O ARG A 12 5.240 9.015 10.710 1.00 0.00 O ATOM 199 CB ARG A 12 7.108 10.536 8.893 1.00 0.00 C ATOM 200 CG ARG A 12 8.335 10.386 9.796 1.00 0.00 C ATOM 201 CD ARG A 12 8.845 11.752 10.258 1.00 0.00 C ATOM 202 NE ARG A 12 9.897 11.578 11.285 1.00 0.00 N ATOM 203 CZ ARG A 12 10.258 12.528 12.159 1.00 0.00 C ATOM 204 NH1 ARG A 12 9.655 13.724 12.136 1.00 0.00 N ATOM 205 NH2 ARG A 12 11.222 12.281 13.056 1.00 0.00 N ATOM 0 H ARG A 12 4.473 9.803 8.298 1.00 0.00 H new ATOM 0 HA ARG A 12 7.140 8.546 8.090 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.403 10.983 7.944 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.392 11.215 9.356 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.081 9.776 10.663 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.125 9.862 9.258 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.243 12.307 9.409 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.021 12.338 10.665 1.00 0.00 H new ATOM 0 HE ARG A 12 10.377 10.679 11.330 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.921 13.912 11.453 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.930 14.447 12.801 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.681 11.370 13.074 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.497 13.004 13.721 1.00 0.00 H new ATOM 219 N PHE A 13 6.800 7.439 10.268 1.00 0.00 N ATOM 220 CA PHE A 13 6.582 6.716 11.509 1.00 0.00 C ATOM 221 C PHE A 13 7.859 6.676 12.352 1.00 0.00 C ATOM 222 O PHE A 13 8.959 6.561 11.814 1.00 0.00 O ATOM 223 CB PHE A 13 6.191 5.286 11.131 1.00 0.00 C ATOM 224 CG PHE A 13 5.015 5.200 10.155 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.964 6.055 10.279 1.00 0.00 C ATOM 226 CD2 PHE A 13 5.022 4.270 9.162 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.874 5.975 9.373 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.931 4.191 8.257 1.00 0.00 C ATOM 229 CZ PHE A 13 2.880 5.045 8.381 1.00 0.00 C ATOM 0 H PHE A 13 7.516 7.039 9.661 1.00 0.00 H new ATOM 0 HA PHE A 13 5.806 7.209 12.095 1.00 0.00 H new ATOM 0 HB2 PHE A 13 7.054 4.789 10.688 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.938 4.737 12.038 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.959 6.794 11.066 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.857 3.592 9.062 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.039 6.653 9.472 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.936 3.452 7.469 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.051 4.985 7.692 1.00 0.00 H new ATOM 239 N ASN A 14 7.670 6.773 13.659 1.00 0.00 N ATOM 240 CA ASN A 14 8.792 6.750 14.582 1.00 0.00 C ATOM 241 C ASN A 14 9.098 5.302 14.969 1.00 0.00 C ATOM 242 O ASN A 14 8.432 4.732 15.832 1.00 0.00 O ATOM 243 CB ASN A 14 8.469 7.523 15.862 1.00 0.00 C ATOM 244 CG ASN A 14 9.601 8.488 16.220 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.771 8.225 15.994 1.00 0.00 O ATOM 246 ND2 ASN A 14 9.189 9.618 16.789 1.00 0.00 N ATOM 0 H ASN A 14 6.756 6.868 14.102 1.00 0.00 H new ATOM 0 HA ASN A 14 9.645 7.213 14.087 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.540 8.079 15.731 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.309 6.824 16.683 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.868 10.327 17.064 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.194 9.775 16.950 1.00 0.00 H new ATOM 253 N ALA A 15 10.107 4.748 14.312 1.00 0.00 N ATOM 254 CA ALA A 15 10.510 3.377 14.577 1.00 0.00 C ATOM 255 C ALA A 15 11.626 2.982 13.608 1.00 0.00 C ATOM 256 O ALA A 15 11.955 3.736 12.693 1.00 0.00 O ATOM 257 CB ALA A 15 9.292 2.457 14.470 1.00 0.00 C ATOM 0 H ALA A 15 10.657 5.224 13.597 1.00 0.00 H new ATOM 0 HA ALA A 15 10.903 3.281 15.589 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.594 1.429 14.669 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.541 2.762 15.199 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.872 2.524 13.466 1.00 0.00 H new ATOM 263 N PRO A 16 12.193 1.769 13.847 1.00 0.00 N ATOM 264 CA PRO A 16 13.265 1.265 13.007 1.00 0.00 C ATOM 265 C PRO A 16 12.725 0.785 11.658 1.00 0.00 C ATOM 266 O PRO A 16 11.707 0.096 11.602 1.00 0.00 O ATOM 267 CB PRO A 16 13.911 0.153 13.817 1.00 0.00 C ATOM 268 CG PRO A 16 12.893 -0.235 14.877 1.00 0.00 C ATOM 269 CD PRO A 16 11.829 0.849 14.921 1.00 0.00 C ATOM 0 HA PRO A 16 13.997 2.032 12.754 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.159 -0.698 13.183 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.841 0.492 14.274 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.445 -1.200 14.641 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.375 -0.337 15.850 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.833 0.433 14.766 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.817 1.353 15.887 1.00 0.00 H new ATOM 277 N ILE A 17 13.430 1.167 10.604 1.00 0.00 N ATOM 278 CA ILE A 17 13.034 0.785 9.259 1.00 0.00 C ATOM 279 C ILE A 17 13.121 -0.737 9.120 1.00 0.00 C ATOM 280 O ILE A 17 12.423 -1.329 8.299 1.00 0.00 O ATOM 281 CB ILE A 17 13.861 1.545 8.220 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.326 1.300 6.808 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.346 1.196 8.339 1.00 0.00 C ATOM 284 CD1 ILE A 17 13.915 2.306 5.817 1.00 0.00 C ATOM 0 H ILE A 17 14.274 1.738 10.654 1.00 0.00 H new ATOM 0 HA ILE A 17 11.997 1.065 9.073 1.00 0.00 H new ATOM 0 HB ILE A 17 13.764 2.612 8.420 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.573 0.286 6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.239 1.378 6.808 1.00 0.00 H new ATOM 0 HG21 ILE A 17 15.911 1.750 7.589 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.704 1.463 9.333 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.482 0.126 8.179 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.519 2.110 4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.646 3.317 6.122 1.00 0.00 H new ATOM 0 HD13 ILE A 17 15.001 2.208 5.801 1.00 0.00 H new ATOM 296 N GLU A 18 13.984 -1.325 9.936 1.00 0.00 N ATOM 297 CA GLU A 18 14.171 -2.766 9.914 1.00 0.00 C ATOM 298 C GLU A 18 12.855 -3.477 10.237 1.00 0.00 C ATOM 299 O GLU A 18 12.619 -4.593 9.777 1.00 0.00 O ATOM 300 CB GLU A 18 15.275 -3.190 10.885 1.00 0.00 C ATOM 301 CG GLU A 18 16.270 -4.133 10.205 1.00 0.00 C ATOM 302 CD GLU A 18 15.920 -5.595 10.487 1.00 0.00 C ATOM 303 OE1 GLU A 18 16.330 -6.079 11.564 1.00 0.00 O ATOM 304 OE2 GLU A 18 15.251 -6.196 9.619 1.00 0.00 O ATOM 0 H GLU A 18 14.561 -0.830 10.616 1.00 0.00 H new ATOM 0 HA GLU A 18 14.482 -3.057 8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.798 -2.308 11.254 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.833 -3.684 11.750 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.268 -3.956 9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.278 -3.922 10.561 1.00 0.00 H new ATOM 311 N LYS A 19 12.032 -2.801 11.026 1.00 0.00 N ATOM 312 CA LYS A 19 10.746 -3.354 11.415 1.00 0.00 C ATOM 313 C LYS A 19 9.721 -3.076 10.313 1.00 0.00 C ATOM 314 O LYS A 19 9.110 -4.002 9.781 1.00 0.00 O ATOM 315 CB LYS A 19 10.329 -2.826 12.789 1.00 0.00 C ATOM 316 CG LYS A 19 9.262 -3.722 13.421 1.00 0.00 C ATOM 317 CD LYS A 19 8.312 -2.907 14.301 1.00 0.00 C ATOM 318 CE LYS A 19 6.860 -3.334 14.082 1.00 0.00 C ATOM 319 NZ LYS A 19 6.252 -3.777 15.356 1.00 0.00 N ATOM 0 H LYS A 19 12.231 -1.876 11.406 1.00 0.00 H new ATOM 0 HA LYS A 19 10.814 -4.437 11.522 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.200 -2.775 13.443 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.945 -1.811 12.691 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.695 -4.226 12.638 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.741 -4.498 14.018 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.579 -3.038 15.350 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.421 -1.846 14.075 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.289 -2.503 13.669 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.819 -4.142 13.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.266 -4.063 15.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.788 -4.584 15.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.274 -2.995 16.042 1.00 0.00 H new ATOM 333 N VAL A 20 9.565 -1.798 10.003 1.00 0.00 N ATOM 334 CA VAL A 20 8.626 -1.387 8.974 1.00 0.00 C ATOM 335 C VAL A 20 8.918 -2.157 7.685 1.00 0.00 C ATOM 336 O VAL A 20 7.998 -2.549 6.969 1.00 0.00 O ATOM 337 CB VAL A 20 8.683 0.131 8.789 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.577 0.611 7.846 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.604 0.851 10.137 1.00 0.00 C ATOM 0 H VAL A 20 10.073 -1.033 10.447 1.00 0.00 H new ATOM 0 HA VAL A 20 7.605 -1.627 9.272 1.00 0.00 H new ATOM 0 HB VAL A 20 9.642 0.377 8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.640 1.693 7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.697 0.136 6.872 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.605 0.346 8.261 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.647 1.928 9.977 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.668 0.594 10.632 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.442 0.544 10.763 1.00 0.00 H new ATOM 349 N TRP A 21 10.203 -2.351 7.428 1.00 0.00 N ATOM 350 CA TRP A 21 10.629 -3.068 6.237 1.00 0.00 C ATOM 351 C TRP A 21 10.088 -4.496 6.327 1.00 0.00 C ATOM 352 O TRP A 21 9.704 -5.083 5.316 1.00 0.00 O ATOM 353 CB TRP A 21 12.149 -3.013 6.078 1.00 0.00 C ATOM 354 CG TRP A 21 12.681 -3.821 4.893 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.618 -4.779 4.901 1.00 0.00 C ATOM 356 CD2 TRP A 21 12.265 -3.701 3.516 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.836 -5.283 3.635 1.00 0.00 N ATOM 358 CE2 TRP A 21 12.987 -4.607 2.766 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.311 -2.855 2.923 1.00 0.00 C ATOM 360 CZ2 TRP A 21 12.831 -4.755 1.383 1.00 0.00 C ATOM 361 CZ3 TRP A 21 11.167 -3.015 1.540 1.00 0.00 C ATOM 362 CH2 TRP A 21 11.885 -3.922 0.771 1.00 0.00 C ATOM 0 H TRP A 21 10.964 -2.024 8.024 1.00 0.00 H new ATOM 0 HA TRP A 21 10.226 -2.599 5.339 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.454 -1.973 5.962 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.613 -3.381 6.993 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.137 -5.114 5.787 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.498 -6.017 3.383 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.735 -2.139 3.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.408 -5.472 0.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.446 -2.389 1.035 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.715 -3.985 -0.294 1.00 0.00 H new ATOM 373 N GLU A 22 10.076 -5.015 7.546 1.00 0.00 N ATOM 374 CA GLU A 22 9.588 -6.363 7.781 1.00 0.00 C ATOM 375 C GLU A 22 8.059 -6.390 7.738 1.00 0.00 C ATOM 376 O GLU A 22 7.461 -7.427 7.456 1.00 0.00 O ATOM 377 CB GLU A 22 10.110 -6.911 9.111 1.00 0.00 C ATOM 378 CG GLU A 22 11.082 -8.070 8.883 1.00 0.00 C ATOM 379 CD GLU A 22 11.370 -8.809 10.192 1.00 0.00 C ATOM 380 OE1 GLU A 22 12.269 -8.340 10.923 1.00 0.00 O ATOM 381 OE2 GLU A 22 10.684 -9.826 10.432 1.00 0.00 O ATOM 0 H GLU A 22 10.397 -4.526 8.382 1.00 0.00 H new ATOM 0 HA GLU A 22 9.965 -7.008 6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.610 -6.116 9.665 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.273 -7.248 9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.662 -8.764 8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.013 -7.691 8.463 1.00 0.00 H new ATOM 388 N ALA A 23 7.471 -5.238 8.023 1.00 0.00 N ATOM 389 CA ALA A 23 6.023 -5.116 8.021 1.00 0.00 C ATOM 390 C ALA A 23 5.539 -4.856 6.593 1.00 0.00 C ATOM 391 O ALA A 23 4.342 -4.916 6.318 1.00 0.00 O ATOM 392 CB ALA A 23 5.602 -4.009 8.990 1.00 0.00 C ATOM 0 H ALA A 23 7.971 -4.380 8.257 1.00 0.00 H new ATOM 0 HA ALA A 23 5.560 -6.042 8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.516 -3.918 8.988 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.944 -4.256 9.995 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.046 -3.064 8.678 1.00 0.00 H new ATOM 398 N VAL A 24 6.496 -4.573 5.721 1.00 0.00 N ATOM 399 CA VAL A 24 6.183 -4.304 4.328 1.00 0.00 C ATOM 400 C VAL A 24 6.887 -5.334 3.443 1.00 0.00 C ATOM 401 O VAL A 24 7.023 -5.132 2.237 1.00 0.00 O ATOM 402 CB VAL A 24 6.554 -2.861 3.977 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.988 -1.883 5.009 1.00 0.00 C ATOM 404 CG2 VAL A 24 8.070 -2.702 3.846 1.00 0.00 C ATOM 0 H VAL A 24 7.488 -4.524 5.952 1.00 0.00 H new ATOM 0 HA VAL A 24 5.112 -4.402 4.152 1.00 0.00 H new ATOM 0 HB VAL A 24 6.107 -2.625 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.266 -0.865 4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.902 -1.968 5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.393 -2.118 5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.307 -1.668 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.546 -2.966 4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.438 -3.359 3.058 1.00 0.00 H new ATOM 414 N SER A 25 7.315 -6.416 4.076 1.00 0.00 N ATOM 415 CA SER A 25 8.002 -7.479 3.361 1.00 0.00 C ATOM 416 C SER A 25 7.254 -8.801 3.543 1.00 0.00 C ATOM 417 O SER A 25 7.105 -9.570 2.595 1.00 0.00 O ATOM 418 CB SER A 25 9.449 -7.618 3.837 1.00 0.00 C ATOM 419 OG SER A 25 9.527 -8.131 5.164 1.00 0.00 O ATOM 0 H SER A 25 7.200 -6.580 5.076 1.00 0.00 H new ATOM 0 HA SER A 25 8.020 -7.222 2.302 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.991 -8.278 3.160 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.940 -6.646 3.795 1.00 0.00 H new ATOM 0 HG SER A 25 10.467 -8.251 5.413 1.00 0.00 H new ATOM 425 N THR A 26 6.803 -9.024 4.769 1.00 0.00 N ATOM 426 CA THR A 26 6.073 -10.240 5.087 1.00 0.00 C ATOM 427 C THR A 26 4.589 -10.073 4.759 1.00 0.00 C ATOM 428 O THR A 26 4.143 -8.977 4.422 1.00 0.00 O ATOM 429 CB THR A 26 6.336 -10.577 6.556 1.00 0.00 C ATOM 430 OG1 THR A 26 5.918 -9.411 7.261 1.00 0.00 O ATOM 431 CG2 THR A 26 7.829 -10.689 6.874 1.00 0.00 C ATOM 0 H THR A 26 6.929 -8.384 5.553 1.00 0.00 H new ATOM 0 HA THR A 26 6.415 -11.077 4.479 1.00 0.00 H new ATOM 0 HB THR A 26 5.840 -11.515 6.806 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.705 -8.910 7.561 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.959 -10.929 7.929 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.273 -11.477 6.265 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.320 -9.741 6.655 1.00 0.00 H new ATOM 439 N SER A 27 3.864 -11.177 4.867 1.00 0.00 N ATOM 440 CA SER A 27 2.438 -11.167 4.585 1.00 0.00 C ATOM 441 C SER A 27 1.657 -10.805 5.850 1.00 0.00 C ATOM 442 O SER A 27 0.815 -9.909 5.829 1.00 0.00 O ATOM 443 CB SER A 27 1.974 -12.520 4.044 1.00 0.00 C ATOM 444 OG SER A 27 2.487 -12.778 2.739 1.00 0.00 O ATOM 0 H SER A 27 4.237 -12.084 5.146 1.00 0.00 H new ATOM 0 HA SER A 27 2.246 -10.415 3.819 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.294 -13.311 4.722 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.885 -12.545 4.017 1.00 0.00 H new ATOM 0 HG SER A 27 3.467 -12.758 2.763 1.00 0.00 H new ATOM 450 N GLU A 28 1.965 -11.521 6.922 1.00 0.00 N ATOM 451 CA GLU A 28 1.302 -11.287 8.194 1.00 0.00 C ATOM 452 C GLU A 28 1.412 -9.812 8.586 1.00 0.00 C ATOM 453 O GLU A 28 0.445 -9.218 9.060 1.00 0.00 O ATOM 454 CB GLU A 28 1.878 -12.189 9.286 1.00 0.00 C ATOM 455 CG GLU A 28 0.791 -13.077 9.895 1.00 0.00 C ATOM 456 CD GLU A 28 0.041 -12.341 11.007 1.00 0.00 C ATOM 457 OE1 GLU A 28 0.725 -11.892 11.952 1.00 0.00 O ATOM 458 OE2 GLU A 28 -1.199 -12.243 10.887 1.00 0.00 O ATOM 0 H GLU A 28 2.665 -12.263 6.936 1.00 0.00 H new ATOM 0 HA GLU A 28 0.247 -11.535 8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.669 -12.812 8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.332 -11.577 10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.089 -13.383 9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.241 -13.986 10.295 1.00 0.00 H new ATOM 465 N GLY A 29 2.599 -9.263 8.373 1.00 0.00 N ATOM 466 CA GLY A 29 2.848 -7.869 8.698 1.00 0.00 C ATOM 467 C GLY A 29 2.077 -6.940 7.758 1.00 0.00 C ATOM 468 O GLY A 29 1.568 -5.904 8.183 1.00 0.00 O ATOM 0 H GLY A 29 3.399 -9.759 7.979 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.554 -7.674 9.729 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.915 -7.660 8.626 1.00 0.00 H new ATOM 472 N LEU A 30 2.016 -7.345 6.498 1.00 0.00 N ATOM 473 CA LEU A 30 1.316 -6.562 5.494 1.00 0.00 C ATOM 474 C LEU A 30 -0.193 -6.678 5.723 1.00 0.00 C ATOM 475 O LEU A 30 -0.870 -5.674 5.938 1.00 0.00 O ATOM 476 CB LEU A 30 1.757 -6.975 4.088 1.00 0.00 C ATOM 477 CG LEU A 30 2.742 -6.035 3.391 1.00 0.00 C ATOM 478 CD1 LEU A 30 3.980 -6.795 2.911 1.00 0.00 C ATOM 479 CD2 LEU A 30 2.061 -5.272 2.253 1.00 0.00 C ATOM 0 H LEU A 30 2.440 -8.205 6.150 1.00 0.00 H new ATOM 0 HA LEU A 30 1.573 -5.507 5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.210 -7.965 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.869 -7.067 3.463 1.00 0.00 H new ATOM 0 HG LEU A 30 3.080 -5.296 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.664 -6.103 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.479 -7.253 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.680 -7.571 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.784 -4.611 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.676 -5.980 1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.238 -4.680 2.653 1.00 0.00 H new ATOM 491 N ALA A 31 -0.674 -7.911 5.671 1.00 0.00 N ATOM 492 CA ALA A 31 -2.089 -8.171 5.870 1.00 0.00 C ATOM 493 C ALA A 31 -2.550 -7.496 7.164 1.00 0.00 C ATOM 494 O ALA A 31 -3.739 -7.235 7.343 1.00 0.00 O ATOM 495 CB ALA A 31 -2.335 -9.681 5.882 1.00 0.00 C ATOM 0 H ALA A 31 -0.109 -8.741 5.494 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.674 -7.752 5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.397 -9.875 6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.018 -10.109 4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.765 -10.136 6.692 1.00 0.00 H new ATOM 501 N PHE A 32 -1.585 -7.232 8.032 1.00 0.00 N ATOM 502 CA PHE A 32 -1.877 -6.592 9.304 1.00 0.00 C ATOM 503 C PHE A 32 -2.499 -5.210 9.092 1.00 0.00 C ATOM 504 O PHE A 32 -3.138 -4.669 9.993 1.00 0.00 O ATOM 505 CB PHE A 32 -0.545 -6.431 10.039 1.00 0.00 C ATOM 506 CG PHE A 32 -0.619 -6.742 11.536 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.679 -6.307 12.269 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.375 -7.453 12.133 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.748 -6.595 13.658 1.00 0.00 C ATOM 510 CE2 PHE A 32 0.306 -7.741 13.521 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.754 -7.306 14.255 1.00 0.00 C ATOM 0 H PHE A 32 -0.600 -7.449 7.880 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.585 -7.196 9.871 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.194 -7.086 9.578 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.190 -5.409 9.908 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.468 -5.743 11.795 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.217 -7.798 11.551 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.590 -6.250 14.240 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.095 -8.306 13.995 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.806 -7.525 15.311 1.00 0.00 H new ATOM 521 N TRP A 33 -2.290 -4.679 7.896 1.00 0.00 N ATOM 522 CA TRP A 33 -2.822 -3.371 7.555 1.00 0.00 C ATOM 523 C TRP A 33 -3.365 -3.439 6.126 1.00 0.00 C ATOM 524 O TRP A 33 -4.493 -3.024 5.866 1.00 0.00 O ATOM 525 CB TRP A 33 -1.763 -2.282 7.741 1.00 0.00 C ATOM 526 CG TRP A 33 -0.508 -2.483 6.889 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.554 -3.256 7.154 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.226 -1.866 5.615 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.496 -3.183 6.148 1.00 0.00 N ATOM 530 CE2 TRP A 33 1.006 -2.311 5.183 1.00 0.00 C ATOM 531 CE3 TRP A 33 -0.988 -0.962 4.854 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.587 -1.905 3.975 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.394 -0.567 3.649 1.00 0.00 C ATOM 534 CH2 TRP A 33 0.846 -1.005 3.200 1.00 0.00 C ATOM 0 H TRP A 33 -1.759 -5.131 7.151 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.638 -3.100 8.225 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.204 -1.315 7.498 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.475 -2.246 8.792 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.660 -3.860 8.043 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.387 -3.678 6.118 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.954 -0.601 5.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.554 -2.267 3.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.938 0.127 3.025 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.237 -0.652 2.257 1.00 0.00 H new ATOM 545 N PHE A 34 -2.536 -3.967 5.237 1.00 0.00 N ATOM 546 CA PHE A 34 -2.919 -4.095 3.841 1.00 0.00 C ATOM 547 C PHE A 34 -4.016 -5.147 3.668 1.00 0.00 C ATOM 548 O PHE A 34 -5.202 -4.830 3.743 1.00 0.00 O ATOM 549 CB PHE A 34 -1.673 -4.544 3.076 1.00 0.00 C ATOM 550 CG PHE A 34 -1.961 -5.056 1.663 1.00 0.00 C ATOM 551 CD1 PHE A 34 -2.865 -4.411 0.878 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.313 -6.155 1.192 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.133 -4.886 -0.434 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.581 -6.630 -0.119 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.485 -5.985 -0.904 1.00 0.00 C ATOM 0 H PHE A 34 -1.601 -4.311 5.456 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.303 -3.144 3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.977 -3.708 3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.176 -5.331 3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.379 -3.538 1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.594 -6.667 1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.851 -4.374 -1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.067 -7.503 -0.493 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.688 -6.346 -1.901 1.00 0.00 H new ATOM 565 N MET A 35 -3.581 -6.377 3.439 1.00 0.00 N ATOM 566 CA MET A 35 -4.512 -7.478 3.254 1.00 0.00 C ATOM 567 C MET A 35 -3.779 -8.821 3.249 1.00 0.00 C ATOM 568 O MET A 35 -2.554 -8.863 3.151 1.00 0.00 O ATOM 569 CB MET A 35 -5.259 -7.298 1.931 1.00 0.00 C ATOM 570 CG MET A 35 -6.636 -6.672 2.159 1.00 0.00 C ATOM 571 SD MET A 35 -7.754 -7.166 0.858 1.00 0.00 S ATOM 572 CE MET A 35 -6.859 -6.567 -0.565 1.00 0.00 C ATOM 0 H MET A 35 -2.596 -6.636 3.377 1.00 0.00 H new ATOM 0 HA MET A 35 -5.219 -7.475 4.084 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.675 -6.666 1.262 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.372 -8.264 1.439 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.030 -6.983 3.126 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.551 -5.586 2.184 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.346 -6.917 -1.475 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.848 -5.477 -0.555 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.836 -6.941 -0.535 1.00 0.00 H new ATOM 582 N GLU A 36 -4.561 -9.885 3.355 1.00 0.00 N ATOM 583 CA GLU A 36 -4.001 -11.226 3.364 1.00 0.00 C ATOM 584 C GLU A 36 -3.305 -11.520 2.034 1.00 0.00 C ATOM 585 O GLU A 36 -3.845 -11.226 0.968 1.00 0.00 O ATOM 586 CB GLU A 36 -5.081 -12.269 3.659 1.00 0.00 C ATOM 587 CG GLU A 36 -5.544 -12.182 5.115 1.00 0.00 C ATOM 588 CD GLU A 36 -5.383 -13.529 5.823 1.00 0.00 C ATOM 589 OE1 GLU A 36 -5.917 -14.522 5.282 1.00 0.00 O ATOM 590 OE2 GLU A 36 -4.731 -13.535 6.889 1.00 0.00 O ATOM 0 H GLU A 36 -5.577 -9.846 3.435 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.259 -11.283 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.931 -12.116 2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.693 -13.267 3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.967 -11.420 5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.588 -11.871 5.150 1.00 0.00 H new ATOM 597 N ASN A 37 -2.116 -12.095 2.139 1.00 0.00 N ATOM 598 CA ASN A 37 -1.340 -12.432 0.957 1.00 0.00 C ATOM 599 C ASN A 37 -0.251 -13.437 1.336 1.00 0.00 C ATOM 600 O ASN A 37 -0.124 -13.810 2.502 1.00 0.00 O ATOM 601 CB ASN A 37 -0.658 -11.192 0.375 1.00 0.00 C ATOM 602 CG ASN A 37 0.353 -10.607 1.363 1.00 0.00 C ATOM 603 OD1 ASN A 37 1.549 -10.582 1.126 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.193 -10.140 2.482 1.00 0.00 N ATOM 0 H ASN A 37 -1.671 -12.336 3.024 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.020 -12.852 0.215 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.153 -11.453 -0.555 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.409 -10.441 0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.398 -9.730 3.205 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.203 -10.192 2.617 1.00 0.00 H new ATOM 611 N ASP A 38 0.509 -13.846 0.331 1.00 0.00 N ATOM 612 CA ASP A 38 1.583 -14.800 0.544 1.00 0.00 C ATOM 613 C ASP A 38 2.909 -14.176 0.104 1.00 0.00 C ATOM 614 O ASP A 38 3.807 -14.878 -0.358 1.00 0.00 O ATOM 615 CB ASP A 38 1.363 -16.071 -0.278 1.00 0.00 C ATOM 616 CG ASP A 38 0.493 -17.134 0.395 1.00 0.00 C ATOM 617 OD1 ASP A 38 0.130 -16.910 1.570 1.00 0.00 O ATOM 618 OD2 ASP A 38 0.212 -18.148 -0.280 1.00 0.00 O ATOM 0 H ASP A 38 0.402 -13.534 -0.634 1.00 0.00 H new ATOM 0 HA ASP A 38 1.601 -15.055 1.604 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.905 -15.796 -1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.334 -16.510 -0.507 1.00 0.00 H new ATOM 623 N LEU A 39 2.990 -12.863 0.263 1.00 0.00 N ATOM 624 CA LEU A 39 4.191 -12.136 -0.112 1.00 0.00 C ATOM 625 C LEU A 39 5.331 -12.522 0.832 1.00 0.00 C ATOM 626 O LEU A 39 5.092 -12.896 1.979 1.00 0.00 O ATOM 627 CB LEU A 39 3.914 -10.632 -0.160 1.00 0.00 C ATOM 628 CG LEU A 39 5.028 -9.764 -0.748 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.540 -9.012 -1.988 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.600 -8.816 0.308 1.00 0.00 C ATOM 0 H LEU A 39 2.243 -12.284 0.647 1.00 0.00 H new ATOM 0 HA LEU A 39 4.504 -12.411 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.007 -10.468 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.709 -10.288 0.854 1.00 0.00 H new ATOM 0 HG LEU A 39 5.839 -10.419 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.351 -8.402 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.219 -9.728 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.702 -8.369 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.390 -8.211 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.809 -8.165 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.009 -9.397 1.135 1.00 0.00 H new ATOM 642 N LYS A 40 6.546 -12.417 0.314 1.00 0.00 N ATOM 643 CA LYS A 40 7.724 -12.750 1.097 1.00 0.00 C ATOM 644 C LYS A 40 8.902 -11.895 0.627 1.00 0.00 C ATOM 645 O LYS A 40 10.059 -12.267 0.817 1.00 0.00 O ATOM 646 CB LYS A 40 7.996 -14.255 1.042 1.00 0.00 C ATOM 647 CG LYS A 40 8.298 -14.809 2.436 1.00 0.00 C ATOM 648 CD LYS A 40 8.030 -16.314 2.499 1.00 0.00 C ATOM 649 CE LYS A 40 6.530 -16.606 2.426 1.00 0.00 C ATOM 650 NZ LYS A 40 6.203 -17.828 3.195 1.00 0.00 N ATOM 0 H LYS A 40 6.740 -12.106 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 40 7.560 -12.517 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.132 -14.769 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.838 -14.452 0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.339 -14.611 2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.684 -14.296 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.542 -16.813 1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.439 -16.722 3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.969 -15.759 2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.228 -16.731 1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.181 -18.013 3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.724 -18.637 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.473 -17.695 4.190 1.00 0.00 H new ATOM 664 N ALA A 41 8.568 -10.765 0.021 1.00 0.00 N ATOM 665 CA ALA A 41 9.583 -9.854 -0.478 1.00 0.00 C ATOM 666 C ALA A 41 10.579 -10.631 -1.341 1.00 0.00 C ATOM 667 O ALA A 41 11.736 -10.802 -0.959 1.00 0.00 O ATOM 668 CB ALA A 41 10.259 -9.148 0.700 1.00 0.00 C ATOM 0 H ALA A 41 7.607 -10.460 -0.136 1.00 0.00 H new ATOM 0 HA ALA A 41 9.133 -9.084 -1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.021 -8.464 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.514 -8.587 1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.724 -9.889 1.350 1.00 0.00 H new ATOM 674 N GLU A 42 10.094 -11.080 -2.489 1.00 0.00 N ATOM 675 CA GLU A 42 10.927 -11.835 -3.410 1.00 0.00 C ATOM 676 C GLU A 42 10.431 -11.653 -4.846 1.00 0.00 C ATOM 677 O GLU A 42 9.344 -12.112 -5.194 1.00 0.00 O ATOM 678 CB GLU A 42 10.965 -13.316 -3.027 1.00 0.00 C ATOM 679 CG GLU A 42 12.387 -13.871 -3.126 1.00 0.00 C ATOM 680 CD GLU A 42 12.497 -15.225 -2.421 1.00 0.00 C ATOM 681 OE1 GLU A 42 11.982 -16.208 -2.997 1.00 0.00 O ATOM 682 OE2 GLU A 42 13.095 -15.247 -1.323 1.00 0.00 O ATOM 0 H GLU A 42 9.134 -10.936 -2.803 1.00 0.00 H new ATOM 0 HA GLU A 42 11.945 -11.451 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.591 -13.442 -2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.303 -13.882 -3.683 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.667 -13.979 -4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.088 -13.166 -2.679 1.00 0.00 H new ATOM 689 N THR A 43 11.251 -10.982 -5.641 1.00 0.00 N ATOM 690 CA THR A 43 10.910 -10.733 -7.031 1.00 0.00 C ATOM 691 C THR A 43 10.507 -12.037 -7.722 1.00 0.00 C ATOM 692 O THR A 43 11.093 -13.087 -7.464 1.00 0.00 O ATOM 693 CB THR A 43 12.100 -10.036 -7.693 1.00 0.00 C ATOM 694 OG1 THR A 43 11.515 -9.278 -8.748 1.00 0.00 O ATOM 695 CG2 THR A 43 13.029 -11.018 -8.409 1.00 0.00 C ATOM 0 H THR A 43 12.152 -10.603 -5.349 1.00 0.00 H new ATOM 0 HA THR A 43 10.044 -10.076 -7.115 1.00 0.00 H new ATOM 0 HB THR A 43 12.664 -9.487 -6.940 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.217 -8.792 -9.230 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.857 -10.472 -8.861 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.419 -11.739 -7.691 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.474 -11.544 -9.186 1.00 0.00 H new ATOM 703 N GLY A 44 9.510 -11.927 -8.588 1.00 0.00 N ATOM 704 CA GLY A 44 9.023 -13.084 -9.319 1.00 0.00 C ATOM 705 C GLY A 44 8.377 -14.098 -8.373 1.00 0.00 C ATOM 706 O GLY A 44 8.420 -15.302 -8.623 1.00 0.00 O ATOM 0 H GLY A 44 9.026 -11.054 -8.800 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.297 -12.766 -10.068 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.848 -13.554 -9.854 1.00 0.00 H new ATOM 710 N HIS A 45 7.793 -13.574 -7.305 1.00 0.00 N ATOM 711 CA HIS A 45 7.139 -14.419 -6.319 1.00 0.00 C ATOM 712 C HIS A 45 5.623 -14.355 -6.514 1.00 0.00 C ATOM 713 O HIS A 45 4.965 -13.450 -6.002 1.00 0.00 O ATOM 714 CB HIS A 45 7.572 -14.036 -4.903 1.00 0.00 C ATOM 715 CG HIS A 45 6.893 -14.835 -3.816 1.00 0.00 C ATOM 716 ND1 HIS A 45 6.654 -16.194 -3.923 1.00 0.00 N ATOM 717 CD2 HIS A 45 6.407 -14.453 -2.600 1.00 0.00 C ATOM 718 CE1 HIS A 45 6.050 -16.601 -2.817 1.00 0.00 C ATOM 719 NE2 HIS A 45 5.897 -15.521 -1.998 1.00 0.00 N ATOM 0 H HIS A 45 7.759 -12.575 -7.101 1.00 0.00 H new ATOM 0 HA HIS A 45 7.445 -15.455 -6.462 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.651 -14.167 -4.816 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.365 -12.978 -4.745 1.00 0.00 H new ATOM 0 HD2 HIS A 45 6.433 -13.452 -2.196 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.734 -17.611 -2.601 1.00 0.00 H new ATOM 0 HE2 HIS A 45 5.462 -15.532 -1.075 1.00 0.00 H new ATOM 727 N HIS A 46 5.112 -15.327 -7.256 1.00 0.00 N ATOM 728 CA HIS A 46 3.686 -15.392 -7.525 1.00 0.00 C ATOM 729 C HIS A 46 2.925 -15.596 -6.213 1.00 0.00 C ATOM 730 O HIS A 46 2.926 -16.692 -5.655 1.00 0.00 O ATOM 731 CB HIS A 46 3.378 -16.473 -8.563 1.00 0.00 C ATOM 732 CG HIS A 46 4.181 -17.740 -8.387 1.00 0.00 C ATOM 733 ND1 HIS A 46 3.786 -18.767 -7.548 1.00 0.00 N ATOM 734 CD2 HIS A 46 5.358 -18.135 -8.952 1.00 0.00 C ATOM 735 CE1 HIS A 46 4.693 -19.731 -7.612 1.00 0.00 C ATOM 736 NE2 HIS A 46 5.667 -19.337 -8.482 1.00 0.00 N ATOM 0 H HIS A 46 5.660 -16.076 -7.679 1.00 0.00 H new ATOM 0 HA HIS A 46 3.350 -14.449 -7.957 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.317 -16.718 -8.514 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.567 -16.071 -9.558 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.940 -17.566 -9.662 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.666 -20.665 -7.070 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.496 -19.877 -8.730 1.00 0.00 H new ATOM 744 N PHE A 47 2.295 -14.523 -5.759 1.00 0.00 N ATOM 745 CA PHE A 47 1.532 -14.571 -4.523 1.00 0.00 C ATOM 746 C PHE A 47 0.103 -14.070 -4.742 1.00 0.00 C ATOM 747 O PHE A 47 -0.103 -12.984 -5.281 1.00 0.00 O ATOM 748 CB PHE A 47 2.236 -13.647 -3.527 1.00 0.00 C ATOM 749 CG PHE A 47 1.785 -12.187 -3.605 1.00 0.00 C ATOM 750 CD1 PHE A 47 0.684 -11.778 -2.919 1.00 0.00 C ATOM 751 CD2 PHE A 47 2.484 -11.299 -4.361 1.00 0.00 C ATOM 752 CE1 PHE A 47 0.265 -10.423 -2.992 1.00 0.00 C ATOM 753 CE2 PHE A 47 2.065 -9.944 -4.434 1.00 0.00 C ATOM 754 CZ PHE A 47 0.965 -9.535 -3.748 1.00 0.00 C ATOM 0 H PHE A 47 2.297 -13.615 -6.224 1.00 0.00 H new ATOM 0 HA PHE A 47 1.478 -15.597 -4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.060 -14.017 -2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.311 -13.694 -3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.129 -12.484 -2.319 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.358 -11.624 -4.906 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.609 -10.098 -2.447 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.620 -9.239 -5.034 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.647 -8.504 -3.803 1.00 0.00 H new ATOM 764 N HIS A 48 -0.848 -14.887 -4.311 1.00 0.00 N ATOM 765 CA HIS A 48 -2.252 -14.540 -4.453 1.00 0.00 C ATOM 766 C HIS A 48 -2.664 -13.594 -3.323 1.00 0.00 C ATOM 767 O HIS A 48 -1.954 -13.464 -2.328 1.00 0.00 O ATOM 768 CB HIS A 48 -3.119 -15.800 -4.517 1.00 0.00 C ATOM 769 CG HIS A 48 -2.946 -16.600 -5.786 1.00 0.00 C ATOM 770 ND1 HIS A 48 -1.706 -16.891 -6.326 1.00 0.00 N ATOM 771 CD2 HIS A 48 -3.870 -17.167 -6.614 1.00 0.00 C ATOM 772 CE1 HIS A 48 -1.887 -17.601 -7.430 1.00 0.00 C ATOM 773 NE2 HIS A 48 -3.228 -17.771 -7.607 1.00 0.00 N ATOM 0 H HIS A 48 -0.674 -15.787 -3.864 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.407 -14.014 -5.395 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.882 -16.436 -3.664 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.166 -15.514 -4.420 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.942 -17.131 -6.484 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.109 -17.979 -8.076 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.666 -18.279 -8.376 1.00 0.00 H new ATOM 781 N LEU A 49 -3.811 -12.958 -3.516 1.00 0.00 N ATOM 782 CA LEU A 49 -4.326 -12.028 -2.526 1.00 0.00 C ATOM 783 C LEU A 49 -5.756 -12.426 -2.154 1.00 0.00 C ATOM 784 O LEU A 49 -6.605 -12.592 -3.029 1.00 0.00 O ATOM 785 CB LEU A 49 -4.198 -10.588 -3.026 1.00 0.00 C ATOM 786 CG LEU A 49 -4.776 -9.506 -2.111 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.809 -9.178 -0.972 1.00 0.00 C ATOM 788 CD2 LEU A 49 -5.163 -8.261 -2.911 1.00 0.00 C ATOM 0 H LEU A 49 -4.397 -13.069 -4.343 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.734 -12.077 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.142 -10.373 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.690 -10.516 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.688 -9.893 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.244 -8.406 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.626 -10.075 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.867 -8.819 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.571 -7.508 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.281 -7.861 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.913 -8.526 -3.656 1.00 0.00 H new ATOM 800 N GLN A 50 -5.979 -12.566 -0.856 1.00 0.00 N ATOM 801 CA GLN A 50 -7.291 -12.941 -0.358 1.00 0.00 C ATOM 802 C GLN A 50 -8.102 -11.692 -0.005 1.00 0.00 C ATOM 803 O GLN A 50 -8.274 -11.370 1.169 1.00 0.00 O ATOM 804 CB GLN A 50 -7.174 -13.877 0.847 1.00 0.00 C ATOM 805 CG GLN A 50 -6.697 -15.266 0.418 1.00 0.00 C ATOM 806 CD GLN A 50 -7.830 -16.289 0.516 1.00 0.00 C ATOM 807 OE1 GLN A 50 -8.012 -16.958 1.520 1.00 0.00 O ATOM 808 NE2 GLN A 50 -8.580 -16.373 -0.579 1.00 0.00 N ATOM 0 H GLN A 50 -5.273 -12.426 -0.134 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.816 -13.481 -1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.477 -13.457 1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.141 -13.958 1.344 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.325 -15.227 -0.606 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.864 -15.579 1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.373 -15.784 -1.385 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.362 -17.027 -0.612 1.00 0.00 H new ATOM 817 N SER A 51 -8.578 -11.022 -1.044 1.00 0.00 N ATOM 818 CA SER A 51 -9.366 -9.815 -0.859 1.00 0.00 C ATOM 819 C SER A 51 -10.837 -10.179 -0.644 1.00 0.00 C ATOM 820 O SER A 51 -11.240 -11.315 -0.884 1.00 0.00 O ATOM 821 CB SER A 51 -9.222 -8.874 -2.057 1.00 0.00 C ATOM 822 OG SER A 51 -10.265 -9.058 -3.009 1.00 0.00 O ATOM 0 H SER A 51 -8.433 -11.292 -2.017 1.00 0.00 H new ATOM 0 HA SER A 51 -8.994 -9.295 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.227 -7.841 -1.709 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.259 -9.044 -2.538 1.00 0.00 H new ATOM 0 HG SER A 51 -10.163 -9.931 -3.442 1.00 0.00 H new ATOM 828 N PRO A 52 -11.617 -9.165 -0.182 1.00 0.00 N ATOM 829 CA PRO A 52 -13.034 -9.367 0.068 1.00 0.00 C ATOM 830 C PRO A 52 -13.820 -9.421 -1.243 1.00 0.00 C ATOM 831 O PRO A 52 -14.718 -10.247 -1.399 1.00 0.00 O ATOM 832 CB PRO A 52 -13.445 -8.206 0.960 1.00 0.00 C ATOM 833 CG PRO A 52 -12.363 -7.151 0.796 1.00 0.00 C ATOM 834 CD PRO A 52 -11.173 -7.806 0.113 1.00 0.00 C ATOM 0 HA PRO A 52 -13.244 -10.320 0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.419 -7.815 0.668 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.528 -8.522 2.000 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.732 -6.315 0.202 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.072 -6.748 1.766 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.896 -7.274 -0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.296 -7.808 0.761 1.00 0.00 H new ATOM 842 N PHE A 53 -13.454 -8.530 -2.153 1.00 0.00 N ATOM 843 CA PHE A 53 -14.114 -8.466 -3.446 1.00 0.00 C ATOM 844 C PHE A 53 -13.545 -9.514 -4.404 1.00 0.00 C ATOM 845 O PHE A 53 -13.195 -9.196 -5.540 1.00 0.00 O ATOM 846 CB PHE A 53 -13.846 -7.071 -4.016 1.00 0.00 C ATOM 847 CG PHE A 53 -14.988 -6.519 -4.871 1.00 0.00 C ATOM 848 CD1 PHE A 53 -16.081 -5.971 -4.275 1.00 0.00 C ATOM 849 CD2 PHE A 53 -14.911 -6.576 -6.228 1.00 0.00 C ATOM 850 CE1 PHE A 53 -17.141 -5.458 -5.069 1.00 0.00 C ATOM 851 CE2 PHE A 53 -15.970 -6.063 -7.022 1.00 0.00 C ATOM 852 CZ PHE A 53 -17.063 -5.515 -6.426 1.00 0.00 C ATOM 0 H PHE A 53 -12.709 -7.846 -2.020 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.180 -8.660 -3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -13.657 -6.383 -3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -12.938 -7.104 -4.618 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -16.143 -5.926 -3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -14.044 -7.012 -6.702 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -18.009 -5.023 -4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -15.908 -6.108 -8.099 1.00 0.00 H new ATOM 0 HZ PHE A 53 -17.869 -5.125 -7.030 1.00 0.00 H new ATOM 862 N GLY A 54 -13.471 -10.741 -3.911 1.00 0.00 N ATOM 863 CA GLY A 54 -12.950 -11.838 -4.710 1.00 0.00 C ATOM 864 C GLY A 54 -11.421 -11.857 -4.684 1.00 0.00 C ATOM 865 O GLY A 54 -10.785 -10.813 -4.549 1.00 0.00 O ATOM 0 H GLY A 54 -13.763 -11.000 -2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.336 -12.784 -4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.299 -11.741 -5.738 1.00 0.00 H new ATOM 869 N PRO A 55 -10.859 -13.089 -4.819 1.00 0.00 N ATOM 870 CA PRO A 55 -9.416 -13.258 -4.812 1.00 0.00 C ATOM 871 C PRO A 55 -8.804 -12.795 -6.136 1.00 0.00 C ATOM 872 O PRO A 55 -9.441 -12.887 -7.184 1.00 0.00 O ATOM 873 CB PRO A 55 -9.195 -14.737 -4.540 1.00 0.00 C ATOM 874 CG PRO A 55 -10.512 -15.422 -4.865 1.00 0.00 C ATOM 875 CD PRO A 55 -11.580 -14.348 -4.980 1.00 0.00 C ATOM 0 HA PRO A 55 -8.924 -12.649 -4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.387 -15.131 -5.157 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.913 -14.905 -3.500 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.431 -15.981 -5.797 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.773 -16.138 -4.085 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.086 -14.394 -5.945 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.345 -14.467 -4.213 1.00 0.00 H new ATOM 883 N SER A 56 -7.575 -12.309 -6.045 1.00 0.00 N ATOM 884 CA SER A 56 -6.869 -11.832 -7.222 1.00 0.00 C ATOM 885 C SER A 56 -5.396 -12.239 -7.150 1.00 0.00 C ATOM 886 O SER A 56 -4.769 -12.131 -6.098 1.00 0.00 O ATOM 887 CB SER A 56 -6.994 -10.313 -7.361 1.00 0.00 C ATOM 888 OG SER A 56 -7.857 -9.945 -8.434 1.00 0.00 O ATOM 0 H SER A 56 -7.050 -12.235 -5.174 1.00 0.00 H new ATOM 0 HA SER A 56 -7.323 -12.289 -8.101 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.374 -9.894 -6.430 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.007 -9.881 -7.525 1.00 0.00 H new ATOM 0 HG SER A 56 -7.912 -8.968 -8.489 1.00 0.00 H new ATOM 894 N PRO A 57 -4.873 -12.712 -8.313 1.00 0.00 N ATOM 895 CA PRO A 57 -3.486 -13.136 -8.392 1.00 0.00 C ATOM 896 C PRO A 57 -2.544 -11.930 -8.418 1.00 0.00 C ATOM 897 O PRO A 57 -2.635 -11.087 -9.309 1.00 0.00 O ATOM 898 CB PRO A 57 -3.404 -13.981 -9.653 1.00 0.00 C ATOM 899 CG PRO A 57 -4.628 -13.618 -10.478 1.00 0.00 C ATOM 900 CD PRO A 57 -5.586 -12.854 -9.579 1.00 0.00 C ATOM 0 HA PRO A 57 -3.172 -13.712 -7.521 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.486 -13.773 -10.203 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.397 -15.044 -9.411 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.343 -13.010 -11.337 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.105 -14.517 -10.868 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.837 -11.882 -10.003 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.523 -13.396 -9.447 1.00 0.00 H new ATOM 908 N CYS A 58 -1.662 -11.887 -7.431 1.00 0.00 N ATOM 909 CA CYS A 58 -0.705 -10.798 -7.329 1.00 0.00 C ATOM 910 C CYS A 58 0.691 -11.359 -7.603 1.00 0.00 C ATOM 911 O CYS A 58 0.938 -12.547 -7.397 1.00 0.00 O ATOM 912 CB CYS A 58 -0.784 -10.100 -5.970 1.00 0.00 C ATOM 913 SG CYS A 58 -2.475 -9.459 -5.692 1.00 0.00 S ATOM 0 H CYS A 58 -1.590 -12.589 -6.694 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.940 -10.033 -8.069 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.516 -10.799 -5.177 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.065 -9.282 -5.930 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.336 -10.419 -5.859 1.00 0.00 H new ATOM 919 N GLN A 59 1.568 -10.479 -8.062 1.00 0.00 N ATOM 920 CA GLN A 59 2.934 -10.872 -8.366 1.00 0.00 C ATOM 921 C GLN A 59 3.890 -9.702 -8.122 1.00 0.00 C ATOM 922 O GLN A 59 3.549 -8.551 -8.390 1.00 0.00 O ATOM 923 CB GLN A 59 3.050 -11.384 -9.803 1.00 0.00 C ATOM 924 CG GLN A 59 4.516 -11.547 -10.210 1.00 0.00 C ATOM 925 CD GLN A 59 4.714 -12.807 -11.054 1.00 0.00 C ATOM 926 OE1 GLN A 59 4.562 -13.926 -10.592 1.00 0.00 O ATOM 927 NE2 GLN A 59 5.062 -12.565 -12.315 1.00 0.00 N ATOM 0 H GLN A 59 1.360 -9.495 -8.231 1.00 0.00 H new ATOM 0 HA GLN A 59 3.213 -11.689 -7.700 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.535 -12.340 -9.895 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.556 -10.689 -10.482 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.840 -10.672 -10.774 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.141 -11.600 -9.318 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.173 -11.604 -12.638 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.218 -13.341 -12.959 1.00 0.00 H new ATOM 936 N VAL A 60 5.067 -10.037 -7.616 1.00 0.00 N ATOM 937 CA VAL A 60 6.075 -9.029 -7.333 1.00 0.00 C ATOM 938 C VAL A 60 6.910 -8.782 -8.590 1.00 0.00 C ATOM 939 O VAL A 60 7.215 -9.716 -9.331 1.00 0.00 O ATOM 940 CB VAL A 60 6.918 -9.456 -6.129 1.00 0.00 C ATOM 941 CG1 VAL A 60 7.833 -8.318 -5.671 1.00 0.00 C ATOM 942 CG2 VAL A 60 6.030 -9.941 -4.982 1.00 0.00 C ATOM 0 H VAL A 60 5.346 -10.993 -7.394 1.00 0.00 H new ATOM 0 HA VAL A 60 5.605 -8.083 -7.065 1.00 0.00 H new ATOM 0 HB VAL A 60 7.548 -10.289 -6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.421 -8.647 -4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.502 -8.039 -6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.228 -7.457 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.654 -10.238 -4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.363 -9.136 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.439 -10.794 -5.315 1.00 0.00 H new ATOM 952 N THR A 61 7.257 -7.519 -8.793 1.00 0.00 N ATOM 953 CA THR A 61 8.052 -7.138 -9.948 1.00 0.00 C ATOM 954 C THR A 61 9.448 -6.690 -9.511 1.00 0.00 C ATOM 955 O THR A 61 10.425 -6.908 -10.225 1.00 0.00 O ATOM 956 CB THR A 61 7.282 -6.062 -10.716 1.00 0.00 C ATOM 957 OG1 THR A 61 7.288 -4.938 -9.840 1.00 0.00 O ATOM 958 CG2 THR A 61 5.799 -6.403 -10.875 1.00 0.00 C ATOM 0 H THR A 61 7.002 -6.747 -8.177 1.00 0.00 H new ATOM 0 HA THR A 61 8.211 -7.985 -10.616 1.00 0.00 H new ATOM 0 HB THR A 61 7.731 -5.928 -11.700 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.810 -4.193 -10.261 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.300 -5.607 -11.427 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.698 -7.341 -11.421 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.341 -6.504 -9.891 1.00 0.00 H new ATOM 966 N ASP A 62 9.497 -6.074 -8.339 1.00 0.00 N ATOM 967 CA ASP A 62 10.757 -5.594 -7.798 1.00 0.00 C ATOM 968 C ASP A 62 10.676 -5.572 -6.270 1.00 0.00 C ATOM 969 O ASP A 62 9.696 -5.089 -5.704 1.00 0.00 O ATOM 970 CB ASP A 62 11.056 -4.172 -8.277 1.00 0.00 C ATOM 971 CG ASP A 62 12.270 -4.042 -9.199 1.00 0.00 C ATOM 972 OD1 ASP A 62 12.250 -4.703 -10.260 1.00 0.00 O ATOM 973 OD2 ASP A 62 13.190 -3.284 -8.823 1.00 0.00 O ATOM 0 H ASP A 62 8.684 -5.896 -7.749 1.00 0.00 H new ATOM 0 HA ASP A 62 11.547 -6.263 -8.139 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.179 -3.789 -8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.211 -3.536 -7.405 1.00 0.00 H new ATOM 978 N VAL A 63 11.719 -6.099 -5.646 1.00 0.00 N ATOM 979 CA VAL A 63 11.778 -6.146 -4.196 1.00 0.00 C ATOM 980 C VAL A 63 13.215 -6.435 -3.757 1.00 0.00 C ATOM 981 O VAL A 63 13.699 -7.556 -3.904 1.00 0.00 O ATOM 982 CB VAL A 63 10.773 -7.170 -3.664 1.00 0.00 C ATOM 983 CG1 VAL A 63 10.942 -8.519 -4.365 1.00 0.00 C ATOM 984 CG2 VAL A 63 10.897 -7.322 -2.146 1.00 0.00 C ATOM 0 H VAL A 63 12.530 -6.497 -6.119 1.00 0.00 H new ATOM 0 HA VAL A 63 11.496 -5.183 -3.771 1.00 0.00 H new ATOM 0 HB VAL A 63 9.771 -6.801 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.216 -9.229 -3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.781 -8.395 -5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.950 -8.896 -4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.172 -8.055 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.903 -7.657 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.704 -6.362 -1.667 1.00 0.00 H new ATOM 994 N GLU A 64 13.857 -5.404 -3.227 1.00 0.00 N ATOM 995 CA GLU A 64 15.229 -5.533 -2.766 1.00 0.00 C ATOM 996 C GLU A 64 15.526 -4.491 -1.686 1.00 0.00 C ATOM 997 O GLU A 64 15.655 -3.304 -1.982 1.00 0.00 O ATOM 998 CB GLU A 64 16.213 -5.411 -3.932 1.00 0.00 C ATOM 999 CG GLU A 64 17.640 -5.726 -3.479 1.00 0.00 C ATOM 1000 CD GLU A 64 18.179 -6.968 -4.191 1.00 0.00 C ATOM 1001 OE1 GLU A 64 17.594 -8.050 -3.966 1.00 0.00 O ATOM 1002 OE2 GLU A 64 19.163 -6.809 -4.945 1.00 0.00 O ATOM 0 H GLU A 64 13.452 -4.476 -3.107 1.00 0.00 H new ATOM 0 HA GLU A 64 15.354 -6.524 -2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.922 -6.093 -4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.172 -4.402 -4.343 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.288 -4.874 -3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.657 -5.885 -2.401 1.00 0.00 H new ATOM 1009 N ARG A 65 15.626 -4.972 -0.456 1.00 0.00 N ATOM 1010 CA ARG A 65 15.906 -4.097 0.670 1.00 0.00 C ATOM 1011 C ARG A 65 14.850 -2.994 0.760 1.00 0.00 C ATOM 1012 O ARG A 65 14.080 -2.789 -0.177 1.00 0.00 O ATOM 1013 CB ARG A 65 17.290 -3.459 0.541 1.00 0.00 C ATOM 1014 CG ARG A 65 18.271 -4.068 1.544 1.00 0.00 C ATOM 1015 CD ARG A 65 19.138 -2.986 2.190 1.00 0.00 C ATOM 1016 NE ARG A 65 20.485 -2.984 1.577 1.00 0.00 N ATOM 1017 CZ ARG A 65 21.579 -2.483 2.167 1.00 0.00 C ATOM 1018 NH1 ARG A 65 21.491 -1.940 3.389 1.00 0.00 N ATOM 1019 NH2 ARG A 65 22.760 -2.524 1.536 1.00 0.00 N ATOM 0 H ARG A 65 15.518 -5.957 -0.214 1.00 0.00 H new ATOM 0 HA ARG A 65 15.881 -4.703 1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.666 -3.600 -0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.216 -2.384 0.707 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.720 -4.606 2.315 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.907 -4.796 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.670 -2.010 2.063 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.218 -3.164 3.262 1.00 0.00 H new ATOM 0 HE ARG A 65 20.587 -3.390 0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.592 -1.908 3.869 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.323 -1.559 3.839 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.827 -2.937 0.606 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.592 -2.142 1.986 1.00 0.00 H new ATOM 1033 N PRO A 66 14.847 -2.295 1.926 1.00 0.00 N ATOM 1034 CA PRO A 66 13.898 -1.218 2.151 1.00 0.00 C ATOM 1035 C PRO A 66 14.291 0.033 1.362 1.00 0.00 C ATOM 1036 O PRO A 66 14.688 1.040 1.946 1.00 0.00 O ATOM 1037 CB PRO A 66 13.902 -0.997 3.655 1.00 0.00 C ATOM 1038 CG PRO A 66 15.185 -1.632 4.166 1.00 0.00 C ATOM 1039 CD PRO A 66 15.743 -2.510 3.058 1.00 0.00 C ATOM 0 HA PRO A 66 12.895 -1.462 1.800 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.870 0.066 3.894 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.028 -1.454 4.119 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.907 -0.864 4.445 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.988 -2.224 5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.767 -2.231 2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.761 -3.559 3.355 1.00 0.00 H new ATOM 1047 N ILE A 67 14.166 -0.072 0.047 1.00 0.00 N ATOM 1048 CA ILE A 67 14.504 1.038 -0.828 1.00 0.00 C ATOM 1049 C ILE A 67 13.531 1.065 -2.008 1.00 0.00 C ATOM 1050 O ILE A 67 12.996 2.117 -2.353 1.00 0.00 O ATOM 1051 CB ILE A 67 15.974 0.964 -1.244 1.00 0.00 C ATOM 1052 CG1 ILE A 67 16.328 -0.432 -1.762 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.891 1.400 -0.099 1.00 0.00 C ATOM 1054 CD1 ILE A 67 16.110 -0.528 -3.273 1.00 0.00 C ATOM 0 H ILE A 67 13.835 -0.909 -0.434 1.00 0.00 H new ATOM 0 HA ILE A 67 14.394 1.986 -0.301 1.00 0.00 H new ATOM 0 HB ILE A 67 16.131 1.662 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 67 17.368 -0.658 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.716 -1.178 -1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.930 1.338 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.659 2.427 0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.738 0.746 0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 67 16.369 -1.530 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 67 15.064 -0.325 -3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.741 0.203 -3.779 1.00 0.00 H new ATOM 1066 N LYS A 68 13.331 -0.106 -2.596 1.00 0.00 N ATOM 1067 CA LYS A 68 12.432 -0.230 -3.731 1.00 0.00 C ATOM 1068 C LYS A 68 11.574 -1.485 -3.562 1.00 0.00 C ATOM 1069 O LYS A 68 12.090 -2.556 -3.245 1.00 0.00 O ATOM 1070 CB LYS A 68 13.218 -0.194 -5.043 1.00 0.00 C ATOM 1071 CG LYS A 68 12.298 0.120 -6.225 1.00 0.00 C ATOM 1072 CD LYS A 68 11.847 -1.164 -6.925 1.00 0.00 C ATOM 1073 CE LYS A 68 10.475 -0.980 -7.576 1.00 0.00 C ATOM 1074 NZ LYS A 68 10.622 -0.529 -8.978 1.00 0.00 N ATOM 0 H LYS A 68 13.776 -0.977 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 68 11.750 0.619 -3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.004 0.558 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.708 -1.154 -5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.426 0.673 -5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.819 0.762 -6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.578 -1.446 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.805 -1.980 -6.204 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.923 -1.919 -7.546 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.893 -0.250 -7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.681 -0.409 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.130 0.378 -8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.158 -1.239 -9.517 1.00 0.00 H new ATOM 1088 N LEU A 69 10.279 -1.312 -3.781 1.00 0.00 N ATOM 1089 CA LEU A 69 9.344 -2.418 -3.657 1.00 0.00 C ATOM 1090 C LEU A 69 8.115 -2.141 -4.525 1.00 0.00 C ATOM 1091 O LEU A 69 7.585 -1.031 -4.520 1.00 0.00 O ATOM 1092 CB LEU A 69 9.012 -2.676 -2.186 1.00 0.00 C ATOM 1093 CG LEU A 69 8.124 -3.889 -1.901 1.00 0.00 C ATOM 1094 CD1 LEU A 69 8.920 -5.190 -2.020 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.438 -3.759 -0.540 1.00 0.00 C ATOM 0 H LEU A 69 9.855 -0.422 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 69 9.794 -3.340 -4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.947 -2.799 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.522 -1.789 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 69 7.338 -3.922 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.266 -6.037 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.321 -5.280 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.741 -5.181 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.813 -4.634 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.193 -3.688 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.818 -2.862 -0.529 1.00 0.00 H new ATOM 1107 N SER A 70 7.699 -3.169 -5.249 1.00 0.00 N ATOM 1108 CA SER A 70 6.542 -3.051 -6.121 1.00 0.00 C ATOM 1109 C SER A 70 5.863 -4.413 -6.278 1.00 0.00 C ATOM 1110 O SER A 70 6.522 -5.450 -6.210 1.00 0.00 O ATOM 1111 CB SER A 70 6.939 -2.495 -7.490 1.00 0.00 C ATOM 1112 OG SER A 70 5.827 -1.932 -8.181 1.00 0.00 O ATOM 0 H SER A 70 8.142 -4.088 -5.250 1.00 0.00 H new ATOM 0 HA SER A 70 5.840 -2.353 -5.665 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.709 -1.735 -7.363 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.374 -3.292 -8.093 1.00 0.00 H new ATOM 0 HG SER A 70 6.122 -1.587 -9.049 1.00 0.00 H new ATOM 1118 N PHE A 71 4.556 -4.366 -6.484 1.00 0.00 N ATOM 1119 CA PHE A 71 3.780 -5.584 -6.650 1.00 0.00 C ATOM 1120 C PHE A 71 2.484 -5.308 -7.415 1.00 0.00 C ATOM 1121 O PHE A 71 1.809 -4.311 -7.161 1.00 0.00 O ATOM 1122 CB PHE A 71 3.434 -6.089 -5.248 1.00 0.00 C ATOM 1123 CG PHE A 71 2.216 -5.405 -4.623 1.00 0.00 C ATOM 1124 CD1 PHE A 71 2.372 -4.257 -3.911 1.00 0.00 C ATOM 1125 CD2 PHE A 71 0.978 -5.946 -4.780 1.00 0.00 C ATOM 1126 CE1 PHE A 71 1.242 -3.622 -3.331 1.00 0.00 C ATOM 1127 CE2 PHE A 71 -0.152 -5.311 -4.200 1.00 0.00 C ATOM 1128 CZ PHE A 71 0.004 -4.163 -3.488 1.00 0.00 C ATOM 0 H PHE A 71 4.014 -3.504 -6.540 1.00 0.00 H new ATOM 0 HA PHE A 71 4.355 -6.317 -7.216 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.251 -7.162 -5.295 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.295 -5.941 -4.597 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.355 -3.828 -3.787 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.854 -6.858 -5.345 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.366 -2.710 -2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.135 -5.740 -4.324 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.856 -3.681 -3.047 1.00 0.00 H new ATOM 1138 N THR A 72 2.174 -6.209 -8.336 1.00 0.00 N ATOM 1139 CA THR A 72 0.971 -6.075 -9.139 1.00 0.00 C ATOM 1140 C THR A 72 -0.227 -6.689 -8.411 1.00 0.00 C ATOM 1141 O THR A 72 -0.062 -7.576 -7.575 1.00 0.00 O ATOM 1142 CB THR A 72 1.241 -6.709 -10.505 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.520 -8.074 -10.205 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.534 -6.196 -11.143 1.00 0.00 C ATOM 0 H THR A 72 2.736 -7.035 -8.544 1.00 0.00 H new ATOM 0 HA THR A 72 0.715 -5.027 -9.296 1.00 0.00 H new ATOM 0 HB THR A 72 0.402 -6.507 -11.171 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.331 -8.130 -9.658 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.678 -6.677 -12.110 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.468 -5.117 -11.281 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.378 -6.428 -10.493 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.406 -6.191 -8.754 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.631 -6.679 -8.144 1.00 0.00 C ATOM 1154 C TRP A 73 -3.768 -6.489 -9.149 1.00 0.00 C ATOM 1155 O TRP A 73 -3.945 -5.400 -9.693 1.00 0.00 O ATOM 1156 CB TRP A 73 -2.892 -5.983 -6.807 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.239 -6.339 -6.173 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.965 -7.451 -6.348 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -4.995 -5.527 -5.250 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -6.129 -7.417 -5.608 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -6.148 -6.209 -4.919 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -4.714 -4.259 -4.712 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -7.112 -5.704 -4.039 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -5.688 -3.767 -3.834 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -6.853 -4.442 -3.491 1.00 0.00 C ATOM 0 H TRP A 73 -1.539 -5.454 -9.447 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.549 -7.740 -7.909 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.094 -6.244 -6.111 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -2.846 -4.904 -6.955 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.676 -8.271 -6.988 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -6.844 -8.144 -5.573 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -3.818 -3.708 -4.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -8.007 -6.258 -3.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.522 -2.795 -3.393 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -7.556 -3.995 -2.804 1.00 0.00 H new ATOM 1221 N TRP A 78 -4.113 -1.708 -12.220 1.00 0.00 N ATOM 1222 CA TRP A 78 -3.848 -1.024 -10.965 1.00 0.00 C ATOM 1223 C TRP A 78 -2.561 -1.602 -10.374 1.00 0.00 C ATOM 1224 O TRP A 78 -2.507 -2.781 -10.028 1.00 0.00 O ATOM 1225 CB TRP A 78 -5.044 -1.135 -10.017 1.00 0.00 C ATOM 1226 CG TRP A 78 -6.152 -0.116 -10.291 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -6.081 1.002 -11.025 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -7.508 -0.169 -9.801 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -7.287 1.672 -11.044 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -8.183 0.937 -10.276 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -8.144 -1.120 -8.983 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -9.528 1.197 -9.988 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -9.488 -0.845 -8.705 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -10.182 0.264 -9.175 1.00 0.00 C ATOM 0 HA TRP A 78 -3.706 0.044 -11.130 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.461 -2.139 -10.091 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.695 -1.010 -8.992 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.191 1.337 -11.538 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -7.485 2.546 -11.532 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -7.636 -1.993 -8.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.034 2.070 -10.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -10.024 -1.544 -8.081 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -11.221 0.405 -8.914 1.00 0.00 H new ATOM 1245 N SER A 79 -1.555 -0.745 -10.277 1.00 0.00 N ATOM 1246 CA SER A 79 -0.272 -1.156 -9.733 1.00 0.00 C ATOM 1247 C SER A 79 0.234 -0.109 -8.738 1.00 0.00 C ATOM 1248 O SER A 79 0.294 1.077 -9.056 1.00 0.00 O ATOM 1249 CB SER A 79 0.755 -1.369 -10.847 1.00 0.00 C ATOM 1250 OG SER A 79 0.172 -1.244 -12.142 1.00 0.00 O ATOM 0 H SER A 79 -1.603 0.232 -10.566 1.00 0.00 H new ATOM 0 HA SER A 79 -0.408 -2.105 -9.214 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.561 -0.643 -10.741 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.201 -2.358 -10.744 1.00 0.00 H new ATOM 0 HG SER A 79 0.860 -1.385 -12.825 1.00 0.00 H new ATOM 1256 N VAL A 80 0.586 -0.587 -7.554 1.00 0.00 N ATOM 1257 CA VAL A 80 1.085 0.292 -6.510 1.00 0.00 C ATOM 1258 C VAL A 80 2.560 -0.018 -6.250 1.00 0.00 C ATOM 1259 O VAL A 80 2.973 -1.176 -6.300 1.00 0.00 O ATOM 1260 CB VAL A 80 0.217 0.162 -5.257 1.00 0.00 C ATOM 1261 CG1 VAL A 80 0.183 -1.285 -4.761 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.699 1.108 -4.155 1.00 0.00 C ATOM 0 H VAL A 80 0.536 -1.572 -7.294 1.00 0.00 H new ATOM 0 HA VAL A 80 1.022 1.333 -6.826 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.800 0.449 -5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.441 -1.349 -3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.229 -1.927 -5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.195 -1.611 -4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.065 0.995 -3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.729 0.866 -3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.647 2.137 -4.510 1.00 0.00 H new ATOM 1272 N THR A 81 3.315 1.037 -5.978 1.00 0.00 N ATOM 1273 CA THR A 81 4.736 0.892 -5.710 1.00 0.00 C ATOM 1274 C THR A 81 5.077 1.447 -4.326 1.00 0.00 C ATOM 1275 O THR A 81 4.589 2.508 -3.941 1.00 0.00 O ATOM 1276 CB THR A 81 5.503 1.574 -6.844 1.00 0.00 C ATOM 1277 OG1 THR A 81 4.935 1.021 -8.029 1.00 0.00 O ATOM 1278 CG2 THR A 81 6.970 1.145 -6.900 1.00 0.00 C ATOM 0 H THR A 81 2.969 1.996 -5.938 1.00 0.00 H new ATOM 0 HA THR A 81 5.029 -0.158 -5.686 1.00 0.00 H new ATOM 0 HB THR A 81 5.445 2.656 -6.721 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.186 0.077 -8.102 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.468 1.658 -7.722 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.460 1.403 -5.961 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.028 0.068 -7.056 1.00 0.00 H new ATOM 1286 N PHE A 82 5.912 0.704 -3.615 1.00 0.00 N ATOM 1287 CA PHE A 82 6.324 1.109 -2.282 1.00 0.00 C ATOM 1288 C PHE A 82 7.777 1.587 -2.278 1.00 0.00 C ATOM 1289 O PHE A 82 8.596 1.101 -3.056 1.00 0.00 O ATOM 1290 CB PHE A 82 6.204 -0.124 -1.383 1.00 0.00 C ATOM 1291 CG PHE A 82 4.762 -0.503 -1.036 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.944 0.407 -0.443 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.300 -1.749 -1.321 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.606 0.056 -0.122 1.00 0.00 C ATOM 1295 CE2 PHE A 82 2.962 -2.101 -1.000 1.00 0.00 C ATOM 1296 CZ PHE A 82 2.143 -1.191 -0.407 1.00 0.00 C ATOM 0 H PHE A 82 6.314 -0.176 -3.937 1.00 0.00 H new ATOM 0 HA PHE A 82 5.698 1.931 -1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.682 -0.970 -1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.754 0.058 -0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.312 1.397 -0.216 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.950 -2.471 -1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.956 0.779 0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.595 -3.091 -1.227 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.126 -1.458 -0.163 1.00 0.00 H new ATOM 1306 N HIS A 83 8.053 2.535 -1.394 1.00 0.00 N ATOM 1307 CA HIS A 83 9.393 3.085 -1.280 1.00 0.00 C ATOM 1308 C HIS A 83 9.686 3.422 0.183 1.00 0.00 C ATOM 1309 O HIS A 83 8.941 4.171 0.813 1.00 0.00 O ATOM 1310 CB HIS A 83 9.569 4.285 -2.211 1.00 0.00 C ATOM 1311 CG HIS A 83 9.464 3.945 -3.679 1.00 0.00 C ATOM 1312 ND1 HIS A 83 10.568 3.651 -4.461 1.00 0.00 N ATOM 1313 CD2 HIS A 83 8.377 3.854 -4.497 1.00 0.00 C ATOM 1314 CE1 HIS A 83 10.152 3.396 -5.693 1.00 0.00 C ATOM 1315 NE2 HIS A 83 8.794 3.524 -5.714 1.00 0.00 N ATOM 0 H HIS A 83 7.371 2.936 -0.750 1.00 0.00 H new ATOM 0 HA HIS A 83 10.123 2.342 -1.599 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.816 5.034 -1.967 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.542 4.738 -2.022 1.00 0.00 H new ATOM 0 HD1 HIS A 83 11.537 3.634 -4.143 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.351 4.022 -4.205 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.778 3.133 -6.533 1.00 0.00 H new ATOM 1323 N LEU A 84 10.773 2.851 0.683 1.00 0.00 N ATOM 1324 CA LEU A 84 11.173 3.081 2.060 1.00 0.00 C ATOM 1325 C LEU A 84 12.497 3.848 2.080 1.00 0.00 C ATOM 1326 O LEU A 84 13.222 3.868 1.087 1.00 0.00 O ATOM 1327 CB LEU A 84 11.215 1.762 2.834 1.00 0.00 C ATOM 1328 CG LEU A 84 9.862 1.201 3.276 1.00 0.00 C ATOM 1329 CD1 LEU A 84 9.348 0.161 2.278 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.939 0.642 4.698 1.00 0.00 C ATOM 0 H LEU A 84 11.389 2.230 0.158 1.00 0.00 H new ATOM 0 HA LEU A 84 10.437 3.700 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.711 1.015 2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.835 1.903 3.720 1.00 0.00 H new ATOM 0 HG LEU A 84 9.141 2.018 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.385 -0.222 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.231 0.624 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.061 -0.660 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.964 0.250 4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.678 -0.158 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.230 1.436 5.386 1.00 0.00 H new ATOM 1342 N LYS A 85 12.772 4.461 3.222 1.00 0.00 N ATOM 1343 CA LYS A 85 13.996 5.227 3.385 1.00 0.00 C ATOM 1344 C LYS A 85 14.083 5.742 4.823 1.00 0.00 C ATOM 1345 O LYS A 85 13.252 6.540 5.252 1.00 0.00 O ATOM 1346 CB LYS A 85 14.080 6.333 2.330 1.00 0.00 C ATOM 1347 CG LYS A 85 12.741 7.059 2.190 1.00 0.00 C ATOM 1348 CD LYS A 85 12.906 8.563 2.420 1.00 0.00 C ATOM 1349 CE LYS A 85 13.267 9.281 1.118 1.00 0.00 C ATOM 1350 NZ LYS A 85 12.124 10.089 0.638 1.00 0.00 N ATOM 0 H LYS A 85 12.168 4.443 4.044 1.00 0.00 H new ATOM 0 HA LYS A 85 14.867 4.593 3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.857 7.046 2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.367 5.904 1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.330 6.882 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.027 6.654 2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.981 8.976 2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.684 8.738 3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.133 9.924 1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.548 8.551 0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.386 10.570 -0.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.308 9.468 0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.874 10.798 1.357 1.00 0.00 H new ATOM 1364 N GLU A 86 15.098 5.263 5.528 1.00 0.00 N ATOM 1365 CA GLU A 86 15.305 5.665 6.909 1.00 0.00 C ATOM 1366 C GLU A 86 15.745 7.129 6.976 1.00 0.00 C ATOM 1367 O GLU A 86 16.646 7.544 6.248 1.00 0.00 O ATOM 1368 CB GLU A 86 16.323 4.754 7.598 1.00 0.00 C ATOM 1369 CG GLU A 86 16.140 4.778 9.117 1.00 0.00 C ATOM 1370 CD GLU A 86 17.040 5.835 9.761 1.00 0.00 C ATOM 1371 OE1 GLU A 86 18.092 6.130 9.155 1.00 0.00 O ATOM 1372 OE2 GLU A 86 16.654 6.323 10.845 1.00 0.00 O ATOM 0 H GLU A 86 15.785 4.601 5.169 1.00 0.00 H new ATOM 0 HA GLU A 86 14.359 5.566 7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.211 3.734 7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.333 5.075 7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.098 4.987 9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.372 3.797 9.530 1.00 0.00 H new ATOM 1379 N GLU A 87 15.090 7.871 7.856 1.00 0.00 N ATOM 1380 CA GLU A 87 15.402 9.279 8.027 1.00 0.00 C ATOM 1381 C GLU A 87 16.234 9.488 9.294 1.00 0.00 C ATOM 1382 O GLU A 87 16.741 8.529 9.874 1.00 0.00 O ATOM 1383 CB GLU A 87 14.127 10.124 8.064 1.00 0.00 C ATOM 1384 CG GLU A 87 14.119 11.155 6.933 1.00 0.00 C ATOM 1385 CD GLU A 87 14.692 12.492 7.407 1.00 0.00 C ATOM 1386 OE1 GLU A 87 13.995 13.157 8.204 1.00 0.00 O ATOM 1387 OE2 GLU A 87 15.813 12.819 6.962 1.00 0.00 O ATOM 0 H GLU A 87 14.344 7.523 8.459 1.00 0.00 H new ATOM 0 HA GLU A 87 15.991 9.606 7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.255 9.476 7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.051 10.633 9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.704 10.782 6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.100 11.299 6.574 1.00 0.00 H new ATOM 1394 N GLU A 88 16.349 10.748 9.688 1.00 0.00 N ATOM 1395 CA GLU A 88 17.111 11.095 10.875 1.00 0.00 C ATOM 1396 C GLU A 88 16.872 10.063 11.979 1.00 0.00 C ATOM 1397 O GLU A 88 17.712 9.195 12.214 1.00 0.00 O ATOM 1398 CB GLU A 88 16.762 12.504 11.358 1.00 0.00 C ATOM 1399 CG GLU A 88 17.671 13.548 10.706 1.00 0.00 C ATOM 1400 CD GLU A 88 18.045 14.648 11.702 1.00 0.00 C ATOM 1401 OE1 GLU A 88 17.108 15.323 12.180 1.00 0.00 O ATOM 1402 OE2 GLU A 88 19.260 14.789 11.963 1.00 0.00 O ATOM 0 H GLU A 88 15.927 11.541 9.206 1.00 0.00 H new ATOM 0 HA GLU A 88 18.170 11.086 10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.721 12.725 11.123 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.862 12.556 12.442 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.575 13.066 10.334 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.167 13.988 9.845 1.00 0.00 H new ATOM 1409 N ASN A 89 15.724 10.191 12.627 1.00 0.00 N ATOM 1410 CA ASN A 89 15.364 9.280 13.700 1.00 0.00 C ATOM 1411 C ASN A 89 13.960 8.728 13.447 1.00 0.00 C ATOM 1412 O ASN A 89 13.063 8.902 14.270 1.00 0.00 O ATOM 1413 CB ASN A 89 15.353 9.998 15.052 1.00 0.00 C ATOM 1414 CG ASN A 89 16.753 10.025 15.669 1.00 0.00 C ATOM 1415 OD1 ASN A 89 17.323 9.006 16.025 1.00 0.00 O ATOM 1416 ND2 ASN A 89 17.273 11.244 15.777 1.00 0.00 N ATOM 0 H ASN A 89 15.030 10.912 12.430 1.00 0.00 H new ATOM 0 HA ASN A 89 16.102 8.478 13.723 1.00 0.00 H new ATOM 0 HB2 ASN A 89 14.988 11.017 14.924 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.663 9.495 15.729 1.00 0.00 H new ATOM 0 HD21 ASN A 89 18.203 11.368 16.177 1.00 0.00 H new ATOM 0 HD22 ASN A 89 16.742 12.055 15.459 1.00 0.00 H new ATOM 1423 N GLY A 90 13.813 8.074 12.304 1.00 0.00 N ATOM 1424 CA GLY A 90 12.533 7.496 11.931 1.00 0.00 C ATOM 1425 C GLY A 90 12.592 6.894 10.526 1.00 0.00 C ATOM 1426 O GLY A 90 13.619 6.977 9.853 1.00 0.00 O ATOM 0 H GLY A 90 14.560 7.932 11.624 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.255 6.725 12.649 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.759 8.262 11.970 1.00 0.00 H new ATOM 1430 N THR A 91 11.477 6.301 10.124 1.00 0.00 N ATOM 1431 CA THR A 91 11.389 5.685 8.811 1.00 0.00 C ATOM 1432 C THR A 91 10.394 6.445 7.931 1.00 0.00 C ATOM 1433 O THR A 91 9.362 6.909 8.414 1.00 0.00 O ATOM 1434 CB THR A 91 11.028 4.211 9.003 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.131 3.676 9.730 1.00 0.00 O ATOM 1436 CG2 THR A 91 11.034 3.430 7.688 1.00 0.00 C ATOM 0 H THR A 91 10.627 6.234 10.684 1.00 0.00 H new ATOM 0 HA THR A 91 12.343 5.735 8.286 1.00 0.00 H new ATOM 0 HB THR A 91 10.043 4.136 9.465 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.965 3.768 10.691 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.771 2.390 7.881 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.308 3.866 7.002 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.027 3.476 7.242 1.00 0.00 H new ATOM 1444 N ILE A 92 10.738 6.547 6.656 1.00 0.00 N ATOM 1445 CA ILE A 92 9.888 7.243 5.705 1.00 0.00 C ATOM 1446 C ILE A 92 9.239 6.223 4.767 1.00 0.00 C ATOM 1447 O ILE A 92 9.919 5.353 4.224 1.00 0.00 O ATOM 1448 CB ILE A 92 10.677 8.332 4.977 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.357 9.274 5.972 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.786 9.088 3.989 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.335 10.195 6.642 1.00 0.00 C ATOM 0 H ILE A 92 11.594 6.159 6.259 1.00 0.00 H new ATOM 0 HA ILE A 92 9.081 7.760 6.223 1.00 0.00 H new ATOM 0 HB ILE A 92 11.465 7.852 4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.879 8.692 6.731 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.108 9.872 5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.372 9.857 3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.389 8.392 3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.961 9.555 4.527 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.845 10.854 7.344 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.832 10.793 5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.599 9.594 7.177 1.00 0.00 H new ATOM 1463 N PHE A 93 7.931 6.363 4.605 1.00 0.00 N ATOM 1464 CA PHE A 93 7.183 5.465 3.742 1.00 0.00 C ATOM 1465 C PHE A 93 6.416 6.244 2.673 1.00 0.00 C ATOM 1466 O PHE A 93 5.592 7.099 2.994 1.00 0.00 O ATOM 1467 CB PHE A 93 6.184 4.720 4.630 1.00 0.00 C ATOM 1468 CG PHE A 93 5.448 3.583 3.920 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.288 3.833 3.256 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.953 2.320 3.953 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.604 2.777 2.597 1.00 0.00 C ATOM 1472 CE2 PHE A 93 5.270 1.264 3.294 1.00 0.00 C ATOM 1473 CZ PHE A 93 4.110 1.515 2.630 1.00 0.00 C ATOM 0 H PHE A 93 7.370 7.085 5.057 1.00 0.00 H new ATOM 0 HA PHE A 93 7.865 4.782 3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.713 4.314 5.493 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.451 5.431 5.011 1.00 0.00 H new ATOM 0 HD1 PHE A 93 3.887 4.835 3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.874 2.121 4.481 1.00 0.00 H new ATOM 0 HE1 PHE A 93 2.683 2.976 2.070 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.672 0.262 3.320 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.590 0.712 2.129 1.00 0.00 H new ATOM 1483 N THR A 94 6.713 5.921 1.423 1.00 0.00 N ATOM 1484 CA THR A 94 6.061 6.580 0.304 1.00 0.00 C ATOM 1485 C THR A 94 5.342 5.554 -0.574 1.00 0.00 C ATOM 1486 O THR A 94 5.931 4.549 -0.969 1.00 0.00 O ATOM 1487 CB THR A 94 7.118 7.391 -0.449 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.568 8.346 0.508 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.516 8.241 -1.570 1.00 0.00 C ATOM 0 H THR A 94 7.397 5.211 1.160 1.00 0.00 H new ATOM 0 HA THR A 94 5.287 7.267 0.646 1.00 0.00 H new ATOM 0 HB THR A 94 7.864 6.715 -0.868 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.257 8.914 0.104 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.309 8.796 -2.072 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.016 7.593 -2.289 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.794 8.941 -1.149 1.00 0.00 H new ATOM 1497 N ILE A 95 4.080 5.843 -0.855 1.00 0.00 N ATOM 1498 CA ILE A 95 3.275 4.958 -1.680 1.00 0.00 C ATOM 1499 C ILE A 95 2.996 5.634 -3.023 1.00 0.00 C ATOM 1500 O ILE A 95 2.817 6.850 -3.086 1.00 0.00 O ATOM 1501 CB ILE A 95 2.011 4.532 -0.931 1.00 0.00 C ATOM 1502 CG1 ILE A 95 0.915 4.099 -1.908 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.533 5.637 0.013 1.00 0.00 C ATOM 1504 CD1 ILE A 95 0.160 5.311 -2.457 1.00 0.00 C ATOM 0 H ILE A 95 3.595 6.678 -0.526 1.00 0.00 H new ATOM 0 HA ILE A 95 3.817 4.037 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 95 2.255 3.666 -0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.358 3.538 -2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.218 3.429 -1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.633 5.308 0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.313 5.856 0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.311 6.536 -0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.613 4.976 -3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.302 5.856 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.856 5.966 -2.981 1.00 0.00 H new ATOM 1516 N VAL A 96 2.966 4.817 -4.066 1.00 0.00 N ATOM 1517 CA VAL A 96 2.712 5.321 -5.405 1.00 0.00 C ATOM 1518 C VAL A 96 1.707 4.405 -6.107 1.00 0.00 C ATOM 1519 O VAL A 96 1.949 3.208 -6.252 1.00 0.00 O ATOM 1520 CB VAL A 96 4.029 5.462 -6.170 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.777 5.855 -7.627 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.957 6.467 -5.484 1.00 0.00 C ATOM 0 H VAL A 96 3.113 3.809 -4.011 1.00 0.00 H new ATOM 0 HA VAL A 96 2.270 6.316 -5.361 1.00 0.00 H new ATOM 0 HB VAL A 96 4.525 4.491 -6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.730 5.949 -8.149 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.172 5.088 -8.111 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.250 6.808 -7.661 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.886 6.548 -6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.471 7.442 -5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.176 6.128 -4.472 1.00 0.00 H new ATOM 1532 N HIS A 97 0.601 5.003 -6.525 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.441 4.256 -7.209 1.00 0.00 C ATOM 1534 C HIS A 97 -0.714 4.889 -8.574 1.00 0.00 C ATOM 1535 O HIS A 97 -0.982 6.086 -8.665 1.00 0.00 O ATOM 1536 CB HIS A 97 -1.696 4.156 -6.340 1.00 0.00 C ATOM 1537 CG HIS A 97 -2.504 2.901 -6.571 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -3.858 2.820 -6.296 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -2.135 1.680 -7.053 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -4.274 1.600 -6.602 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -3.205 0.895 -7.071 1.00 0.00 N ATOM 0 H HIS A 97 0.404 5.996 -6.403 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.107 3.233 -7.382 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.404 4.200 -5.291 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.328 5.023 -6.531 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.140 1.399 -7.367 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.283 1.229 -6.498 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -3.225 -0.076 -7.384 1.00 0.00 H new ATOM 1549 N SER A 98 -0.636 4.058 -9.603 1.00 0.00 N ATOM 1550 CA SER A 98 -0.872 4.521 -10.960 1.00 0.00 C ATOM 1551 C SER A 98 -1.865 3.594 -11.664 1.00 0.00 C ATOM 1552 O SER A 98 -2.108 2.478 -11.208 1.00 0.00 O ATOM 1553 CB SER A 98 0.436 4.597 -11.750 1.00 0.00 C ATOM 1554 OG SER A 98 1.466 5.254 -11.017 1.00 0.00 O ATOM 0 H SER A 98 -0.412 3.066 -9.524 1.00 0.00 H new ATOM 0 HA SER A 98 -1.295 5.525 -10.911 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.762 3.590 -12.009 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.263 5.127 -12.687 1.00 0.00 H new ATOM 0 HG SER A 98 2.285 5.280 -11.555 1.00 0.00 H new ATOM 1889 N MET A 121 -10.978 5.224 -2.606 1.00 0.00 N ATOM 1890 CA MET A 121 -9.776 4.414 -2.503 1.00 0.00 C ATOM 1891 C MET A 121 -8.610 5.233 -1.945 1.00 0.00 C ATOM 1892 O MET A 121 -7.897 4.775 -1.053 1.00 0.00 O ATOM 1893 CB MET A 121 -9.405 3.873 -3.885 1.00 0.00 C ATOM 1894 CG MET A 121 -9.682 2.371 -3.978 1.00 0.00 C ATOM 1895 SD MET A 121 -8.179 1.454 -3.687 1.00 0.00 S ATOM 1896 CE MET A 121 -8.440 0.074 -4.789 1.00 0.00 C ATOM 0 HA MET A 121 -9.974 3.587 -1.821 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.975 4.400 -4.651 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.351 4.065 -4.084 1.00 0.00 H new ATOM 0 HG2 MET A 121 -10.439 2.086 -3.247 1.00 0.00 H new ATOM 0 HG3 MET A 121 -10.082 2.127 -4.962 1.00 0.00 H new ATOM 0 HE1 MET A 121 -7.588 -0.603 -4.732 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.346 -0.457 -4.498 1.00 0.00 H new ATOM 0 HE3 MET A 121 -8.545 0.439 -5.811 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.452 6.428 -2.493 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.385 7.315 -2.061 1.00 0.00 C ATOM 1908 C ASP A 122 -7.522 7.578 -0.560 1.00 0.00 C ATOM 1909 O ASP A 122 -6.581 7.357 0.201 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.459 8.660 -2.785 1.00 0.00 C ATOM 1911 CG ASP A 122 -6.343 9.646 -2.434 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -5.681 9.410 -1.400 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -6.176 10.614 -3.208 1.00 0.00 O ATOM 0 H ASP A 122 -9.045 6.804 -3.233 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.434 6.834 -2.290 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.438 8.479 -3.860 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.418 9.125 -2.559 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.701 8.045 -0.179 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.974 8.341 1.217 1.00 0.00 C ATOM 1920 C ARG A 123 -8.512 7.183 2.105 1.00 0.00 C ATOM 1921 O ARG A 123 -7.718 7.379 3.024 1.00 0.00 O ATOM 1922 CB ARG A 123 -10.467 8.586 1.447 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.750 10.074 1.666 1.00 0.00 C ATOM 1924 CD ARG A 123 -10.778 10.413 3.158 1.00 0.00 C ATOM 1925 NE ARG A 123 -10.288 11.793 3.372 1.00 0.00 N ATOM 1926 CZ ARG A 123 -10.029 12.320 4.577 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -10.213 11.585 5.682 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -9.588 13.581 4.676 1.00 0.00 N ATOM 0 H ARG A 123 -9.479 8.226 -0.813 1.00 0.00 H new ATOM 0 HA ARG A 123 -8.425 9.246 1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -11.035 8.226 0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.804 8.017 2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -9.985 10.670 1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.705 10.337 1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -11.793 10.315 3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -10.158 9.708 3.711 1.00 0.00 H new ATOM 0 HE ARG A 123 -10.138 12.380 2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -10.550 10.625 5.606 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -10.016 11.985 6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -9.449 14.140 3.834 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -9.391 13.982 5.593 1.00 0.00 H new ATOM 1942 N GLY A 124 -9.028 6.002 1.798 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.678 4.813 2.557 1.00 0.00 C ATOM 1944 C GLY A 124 -7.200 4.464 2.378 1.00 0.00 C ATOM 1945 O GLY A 124 -6.563 3.950 3.297 1.00 0.00 O ATOM 0 H GLY A 124 -9.685 5.843 1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.892 4.976 3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.295 3.975 2.232 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.695 4.756 1.188 1.00 0.00 N ATOM 1950 CA TRP A 125 -5.303 4.479 0.876 1.00 0.00 C ATOM 1951 C TRP A 125 -4.435 5.218 1.897 1.00 0.00 C ATOM 1952 O TRP A 125 -3.613 4.605 2.577 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.979 4.859 -0.570 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.771 3.659 -1.496 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.499 3.305 -2.564 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.732 2.663 -1.393 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -5.007 2.158 -3.154 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -3.898 1.756 -2.419 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -2.685 2.533 -0.463 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -3.055 0.655 -2.614 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -1.852 1.428 -0.671 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -2.006 0.505 -1.699 1.00 0.00 C ATOM 0 H TRP A 125 -7.225 5.182 0.428 1.00 0.00 H new ATOM 0 HA TRP A 125 -5.096 3.411 0.949 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.789 5.473 -0.964 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -4.079 5.474 -0.581 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -6.362 3.849 -2.919 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.387 1.692 -3.978 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.536 3.231 0.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -3.206 -0.041 -3.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -1.031 1.282 0.016 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -1.320 -0.324 -1.791 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.646 6.524 1.971 1.00 0.00 N ATOM 1974 CA HIS A 126 -3.893 7.352 2.897 1.00 0.00 C ATOM 1975 C HIS A 126 -4.229 6.951 4.335 1.00 0.00 C ATOM 1976 O HIS A 126 -3.334 6.668 5.130 1.00 0.00 O ATOM 1977 CB HIS A 126 -4.140 8.836 2.623 1.00 0.00 C ATOM 1978 CG HIS A 126 -2.999 9.736 3.037 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -3.186 11.048 3.435 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -1.658 9.497 3.112 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -2.004 11.567 3.733 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -1.058 10.604 3.531 1.00 0.00 N ATOM 0 H HIS A 126 -5.328 7.029 1.405 1.00 0.00 H new ATOM 0 HA HIS A 126 -2.825 7.188 2.751 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.328 8.972 1.558 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -5.043 9.146 3.148 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.168 8.565 2.871 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -1.821 12.575 4.076 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -0.055 10.717 3.678 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.522 6.939 4.625 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.988 6.577 5.953 1.00 0.00 C ATOM 1992 C ASP A 127 -5.396 5.222 6.345 1.00 0.00 C ATOM 1993 O ASP A 127 -5.150 4.965 7.522 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.512 6.455 5.988 1.00 0.00 C ATOM 1995 CG ASP A 127 -8.083 5.842 7.268 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -8.146 4.595 7.321 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -8.444 6.635 8.165 1.00 0.00 O ATOM 0 H ASP A 127 -6.261 7.174 3.963 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.673 7.358 6.645 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.944 7.447 5.854 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.833 5.851 5.139 1.00 0.00 H new ATOM 2002 N LEU A 128 -5.184 4.390 5.335 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.626 3.068 5.560 1.00 0.00 C ATOM 2004 C LEU A 128 -3.141 3.197 5.902 1.00 0.00 C ATOM 2005 O LEU A 128 -2.656 2.555 6.831 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.904 2.159 4.361 1.00 0.00 C ATOM 2007 CG LEU A 128 -4.101 0.857 4.305 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.550 -0.111 5.402 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -4.179 0.224 2.915 1.00 0.00 C ATOM 0 H LEU A 128 -5.389 4.606 4.359 1.00 0.00 H new ATOM 0 HA LEU A 128 -5.109 2.591 6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.965 1.909 4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.707 2.723 3.449 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.054 1.093 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.964 -1.028 5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.400 0.350 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.606 -0.346 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.600 -0.699 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -5.219 0.004 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.774 0.916 2.177 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.459 4.033 5.132 1.00 0.00 N ATOM 2022 CA VAL A 129 -1.039 4.255 5.341 1.00 0.00 C ATOM 2023 C VAL A 129 -0.842 5.537 6.153 1.00 0.00 C ATOM 2024 O VAL A 129 0.134 6.259 5.952 1.00 0.00 O ATOM 2025 CB VAL A 129 -0.309 4.280 3.997 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.651 5.547 3.211 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.203 4.147 4.191 1.00 0.00 C ATOM 0 H VAL A 129 -2.865 4.565 4.362 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.605 3.436 5.915 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.649 3.423 3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.119 5.540 2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.725 5.582 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.353 6.424 3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.698 4.168 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.566 4.974 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.424 3.204 4.691 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.784 5.782 7.052 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.726 6.964 7.894 1.00 0.00 C ATOM 2039 C ASN A 130 -1.702 6.538 9.363 1.00 0.00 C ATOM 2040 O ASN A 130 -0.851 6.986 10.130 1.00 0.00 O ATOM 2041 CB ASN A 130 -2.952 7.853 7.679 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.605 9.066 6.814 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -3.242 9.349 5.812 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -1.563 9.765 7.254 1.00 0.00 N ATOM 0 H ASN A 130 -2.592 5.181 7.215 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.826 7.521 7.632 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.744 7.276 7.202 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.337 8.187 8.643 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -1.253 10.593 6.745 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -1.074 9.473 8.100 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.647 5.676 9.711 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.745 5.185 11.075 1.00 0.00 C ATOM 2053 C GLU A 131 -2.651 3.657 11.097 1.00 0.00 C ATOM 2054 O GLU A 131 -1.756 3.096 11.727 1.00 0.00 O ATOM 2055 CB GLU A 131 -4.037 5.664 11.739 1.00 0.00 C ATOM 2056 CG GLU A 131 -4.263 7.156 11.487 1.00 0.00 C ATOM 2057 CD GLU A 131 -4.425 7.916 12.805 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -3.392 8.099 13.485 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -5.578 8.298 13.102 1.00 0.00 O ATOM 0 H GLU A 131 -3.351 5.306 9.072 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.910 5.590 11.647 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -4.882 5.094 11.352 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.990 5.476 12.812 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -3.422 7.566 10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -5.152 7.294 10.872 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.587 3.029 10.401 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.621 1.578 10.332 1.00 0.00 C ATOM 2068 C ARG A 132 -2.200 1.017 10.248 1.00 0.00 C ATOM 2069 O ARG A 132 -1.809 0.182 11.062 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.422 1.102 9.119 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.916 1.374 9.308 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.671 0.083 9.632 1.00 0.00 C ATOM 2073 NE ARG A 132 -7.999 0.403 10.200 1.00 0.00 N ATOM 2074 CZ ARG A 132 -8.931 -0.514 10.495 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -8.686 -1.813 10.276 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -10.109 -0.132 11.008 1.00 0.00 N ATOM 0 H ARG A 132 -4.328 3.498 9.880 1.00 0.00 H new ATOM 0 HA ARG A 132 -4.106 1.215 11.238 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -4.067 1.610 8.222 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.259 0.035 8.967 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -6.059 2.095 10.113 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -6.325 1.822 8.402 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -6.787 -0.516 8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -6.098 -0.515 10.340 1.00 0.00 H new ATOM 0 HE ARG A 132 -8.219 1.383 10.378 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -7.790 -2.104 9.885 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -9.395 -2.511 10.501 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -10.296 0.857 11.174 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -10.818 -0.830 11.232 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.465 1.499 9.257 1.00 0.00 N ATOM 2091 CA LEU A 133 -0.096 1.057 9.056 1.00 0.00 C ATOM 2092 C LEU A 133 0.779 1.588 10.192 1.00 0.00 C ATOM 2093 O LEU A 133 1.646 0.877 10.697 1.00 0.00 O ATOM 2094 CB LEU A 133 0.397 1.455 7.663 1.00 0.00 C ATOM 2095 CG LEU A 133 1.890 1.254 7.397 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.361 -0.106 7.914 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.214 1.448 5.914 1.00 0.00 C ATOM 0 H LEU A 133 -1.792 2.192 8.584 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.039 -0.031 9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.164 0.883 6.924 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.158 2.506 7.501 1.00 0.00 H new ATOM 0 HG LEU A 133 2.441 2.016 7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.426 -0.223 7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.186 -0.167 8.988 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.807 -0.898 7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.282 1.300 5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.653 0.725 5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.938 2.458 5.610 1.00 0.00 H new ATOM 2109 N ARG A 134 0.522 2.834 10.562 1.00 0.00 N ATOM 2110 CA ARG A 134 1.275 3.469 11.630 1.00 0.00 C ATOM 2111 C ARG A 134 1.192 2.632 12.909 1.00 0.00 C ATOM 2112 O ARG A 134 2.153 2.562 13.673 1.00 0.00 O ATOM 2113 CB ARG A 134 0.749 4.876 11.915 1.00 0.00 C ATOM 2114 CG ARG A 134 1.771 5.695 12.706 1.00 0.00 C ATOM 2115 CD ARG A 134 1.277 5.962 14.129 1.00 0.00 C ATOM 2116 NE ARG A 134 0.179 6.954 14.106 1.00 0.00 N ATOM 2117 CZ ARG A 134 -0.343 7.522 15.202 1.00 0.00 C ATOM 2118 NH1 ARG A 134 0.129 7.199 16.414 1.00 0.00 N ATOM 2119 NH2 ARG A 134 -1.337 8.413 15.086 1.00 0.00 N ATOM 0 H ARG A 134 -0.198 3.421 10.141 1.00 0.00 H new ATOM 0 HA ARG A 134 2.313 3.541 11.305 1.00 0.00 H new ATOM 0 HB2 ARG A 134 0.522 5.380 10.976 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -0.184 4.813 12.476 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.721 5.162 12.741 1.00 0.00 H new ATOM 0 HG3 ARG A 134 1.956 6.641 12.198 1.00 0.00 H new ATOM 0 HD2 ARG A 134 0.930 5.034 14.582 1.00 0.00 H new ATOM 0 HD3 ARG A 134 2.098 6.330 14.745 1.00 0.00 H new ATOM 0 HE ARG A 134 -0.204 7.222 13.200 1.00 0.00 H new ATOM 0 HH11 ARG A 134 0.886 6.521 16.502 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -0.268 7.631 17.248 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -1.696 8.659 14.164 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -1.734 8.845 15.920 1.00 0.00 H new ATOM 2133 N GLN A 135 0.033 2.019 13.101 1.00 0.00 N ATOM 2134 CA GLN A 135 -0.189 1.190 14.274 1.00 0.00 C ATOM 2135 C GLN A 135 0.667 -0.076 14.199 1.00 0.00 C ATOM 2136 O GLN A 135 1.151 -0.564 15.219 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.671 0.842 14.427 1.00 0.00 C ATOM 2138 CG GLN A 135 -2.248 1.450 15.707 1.00 0.00 C ATOM 2139 CD GLN A 135 -3.659 0.924 15.976 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -4.025 -0.173 15.587 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -4.428 1.764 16.662 1.00 0.00 N ATOM 0 H GLN A 135 -0.762 2.080 12.465 1.00 0.00 H new ATOM 0 HA GLN A 135 0.110 1.755 15.156 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.225 1.210 13.564 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.794 -0.241 14.447 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.600 1.212 16.551 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -2.271 2.536 15.619 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -4.059 2.668 16.958 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -5.387 1.505 16.893 1.00 0.00 H new ATOM 2150 N ILE A 136 0.828 -0.572 12.981 1.00 0.00 N ATOM 2151 CA ILE A 136 1.617 -1.772 12.759 1.00 0.00 C ATOM 2152 C ILE A 136 3.011 -1.578 13.359 1.00 0.00 C ATOM 2153 O ILE A 136 3.715 -2.550 13.628 1.00 0.00 O ATOM 2154 CB ILE A 136 1.632 -2.136 11.273 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.215 -2.392 10.756 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.562 -3.322 11.009 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.491 -3.457 11.597 1.00 0.00 C ATOM 0 H ILE A 136 0.425 -0.164 12.137 1.00 0.00 H new ATOM 0 HA ILE A 136 1.166 -2.624 13.267 1.00 0.00 H new ATOM 0 HB ILE A 136 2.028 -1.286 10.717 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -0.358 -1.465 10.781 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.256 -2.714 9.715 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.555 -3.561 9.945 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.576 -3.065 11.316 1.00 0.00 H new ATOM 0 HG23 ILE A 136 2.219 -4.187 11.577 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.496 -3.620 11.208 1.00 0.00 H new ATOM 0 HD12 ILE A 136 0.072 -4.389 11.550 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.552 -3.122 12.632 1.00 0.00 H new ATOM 2169 N VAL A 137 3.367 -0.317 13.553 1.00 0.00 N ATOM 2170 CA VAL A 137 4.664 0.016 14.116 1.00 0.00 C ATOM 2171 C VAL A 137 4.468 0.670 15.485 1.00 0.00 C ATOM 2172 O VAL A 137 5.263 0.456 16.399 1.00 0.00 O ATOM 2173 CB VAL A 137 5.448 0.896 13.141 1.00 0.00 C ATOM 2174 CG1 VAL A 137 5.805 0.122 11.870 1.00 0.00 C ATOM 2175 CG2 VAL A 137 4.672 2.171 12.806 1.00 0.00 C ATOM 0 H VAL A 137 2.780 0.487 13.330 1.00 0.00 H new ATOM 0 HA VAL A 137 5.257 -0.886 14.268 1.00 0.00 H new ATOM 0 HB VAL A 137 6.378 1.189 13.628 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.362 0.770 11.194 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.416 -0.742 12.130 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.891 -0.214 11.380 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.252 2.778 12.111 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.719 1.907 12.348 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.491 2.738 13.719 1.00 0.00 H new ATOM 2185 N GLU A 138 3.405 1.454 15.584 1.00 0.00 N ATOM 2186 CA GLU A 138 3.094 2.141 16.826 1.00 0.00 C ATOM 2187 C GLU A 138 2.209 1.261 17.712 1.00 0.00 C ATOM 2188 O GLU A 138 1.551 1.757 18.625 1.00 0.00 O ATOM 2189 CB GLU A 138 2.427 3.491 16.555 1.00 0.00 C ATOM 2190 CG GLU A 138 3.474 4.590 16.360 1.00 0.00 C ATOM 2191 CD GLU A 138 3.187 5.788 17.267 1.00 0.00 C ATOM 2192 OE1 GLU A 138 3.177 5.577 18.499 1.00 0.00 O ATOM 2193 OE2 GLU A 138 2.984 6.887 16.708 1.00 0.00 O ATOM 0 H GLU A 138 2.748 1.629 14.824 1.00 0.00 H new ATOM 0 HA GLU A 138 4.028 2.334 17.355 1.00 0.00 H new ATOM 0 HB2 GLU A 138 1.800 3.419 15.666 1.00 0.00 H new ATOM 0 HB3 GLU A 138 1.772 3.751 17.387 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.466 4.195 16.577 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.480 4.911 15.318 1.00 0.00 H new