USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 689 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 50 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 TYR OH : rot 56:sc= 0.983 USER MOD Set 2.1: A 32 TYR OH : rot -53:sc= 0.56 USER MOD Set 2.2: A 40 CYS SG : rot 170:sc= 0.454 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -106:sc= -0.154 (180deg=-2.12) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl -174:sc= -0.0822 (180deg=-0.168) USER MOD Single : A 20 ASN : amide:sc= -0.639 X(o=-0.64,f=-0.25) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -128:sc= 0 (180deg=-1.57) USER MOD Single : A 56 LYS NZ :NH3+ -126:sc= 0.0706 (180deg=-0.342) USER MOD Single : A 59 SER OG : rot 180:sc= -0.119 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -3.25! C(o=-3.3!,f=-3.2!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 72 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.14) USER MOD Single : A 78 SER OG : rot -70:sc= 0.835 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00272 USER MOD Single : A 85 SER OG : rot 180:sc= -0.951 USER MOD Single : A 89 SER OG : rot 43:sc= -0.321 USER MOD Single : A 90 THR OG1 : rot -18:sc= 1.22 USER MOD Single : A 96 GLN : amide:sc= -0.0189 X(o=-0.019,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 104 N LEU A 11 -2.321 -12.132 7.721 1.00 0.00 N ATOM 105 CA LEU A 11 -2.736 -11.026 6.864 1.00 0.00 C ATOM 106 C LEU A 11 -4.114 -11.289 6.265 1.00 0.00 C ATOM 107 O LEU A 11 -4.776 -10.371 5.784 1.00 0.00 O ATOM 108 CB LEU A 11 -1.714 -10.811 5.747 1.00 0.00 C ATOM 109 CG LEU A 11 -1.969 -9.618 4.824 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.845 -8.312 5.594 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.007 -9.639 3.646 1.00 0.00 C ATOM 0 HA LEU A 11 -2.792 -10.125 7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.730 -10.690 6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.676 -11.714 5.138 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.985 -9.693 4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.030 -7.474 4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.575 -8.296 6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.841 -8.229 6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.203 -8.783 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.018 -9.589 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.145 -10.560 3.080 1.00 0.00 H new ATOM 123 N GLU A 12 -4.538 -12.548 6.300 1.00 0.00 N ATOM 124 CA GLU A 12 -5.838 -12.931 5.761 1.00 0.00 C ATOM 125 C GLU A 12 -6.928 -12.792 6.820 1.00 0.00 C ATOM 126 O GLU A 12 -8.090 -12.534 6.503 1.00 0.00 O ATOM 127 CB GLU A 12 -5.797 -14.369 5.242 1.00 0.00 C ATOM 128 CG GLU A 12 -5.362 -14.480 3.790 1.00 0.00 C ATOM 129 CD GLU A 12 -6.132 -13.546 2.877 1.00 0.00 C ATOM 130 OE1 GLU A 12 -7.376 -13.648 2.838 1.00 0.00 O ATOM 131 OE2 GLU A 12 -5.492 -12.713 2.203 1.00 0.00 O ATOM 0 H GLU A 12 -4.001 -13.320 6.696 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.071 -12.261 4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.115 -14.951 5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.786 -14.814 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.297 -14.258 3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.498 -15.507 3.451 1.00 0.00 H new ATOM 138 N LYS A 13 -6.546 -12.965 8.081 1.00 0.00 N ATOM 139 CA LYS A 13 -7.488 -12.859 9.189 1.00 0.00 C ATOM 140 C LYS A 13 -7.750 -11.399 9.542 1.00 0.00 C ATOM 141 O LYS A 13 -8.901 -10.967 9.630 1.00 0.00 O ATOM 142 CB LYS A 13 -6.952 -13.603 10.414 1.00 0.00 C ATOM 143 CG LYS A 13 -6.103 -12.737 11.328 1.00 0.00 C ATOM 144 CD LYS A 13 -5.676 -13.494 12.575 1.00 0.00 C ATOM 145 CE LYS A 13 -6.836 -13.675 13.542 1.00 0.00 C ATOM 146 NZ LYS A 13 -6.372 -13.756 14.955 1.00 0.00 N ATOM 0 H LYS A 13 -5.589 -13.180 8.361 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.429 -13.314 8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.792 -14.002 10.983 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.359 -14.455 10.081 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.220 -12.394 10.789 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.666 -11.849 11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.281 -14.470 12.292 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.869 -12.955 13.071 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.531 -12.842 13.435 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.384 -14.582 13.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.192 -13.879 15.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.728 -14.566 15.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.872 -12.880 15.207 1.00 0.00 H new ATOM 160 N LEU A 14 -6.677 -10.642 9.743 1.00 0.00 N ATOM 161 CA LEU A 14 -6.791 -9.228 10.085 1.00 0.00 C ATOM 162 C LEU A 14 -7.550 -8.466 9.004 1.00 0.00 C ATOM 163 O LEU A 14 -8.469 -7.701 9.299 1.00 0.00 O ATOM 164 CB LEU A 14 -5.402 -8.616 10.277 1.00 0.00 C ATOM 165 CG LEU A 14 -5.369 -7.162 10.749 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.336 -7.094 12.268 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.172 -6.435 10.154 1.00 0.00 C ATOM 0 H LEU A 14 -5.718 -10.983 9.675 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.348 -9.149 11.018 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.856 -9.224 10.998 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.864 -8.682 9.332 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.277 -6.668 10.404 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.313 -6.051 12.585 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.225 -7.577 12.673 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.446 -7.605 12.636 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.165 -5.402 10.501 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.253 -6.930 10.468 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.240 -6.452 9.066 1.00 0.00 H new ATOM 179 N MET A 15 -7.161 -8.681 7.751 1.00 0.00 N ATOM 180 CA MET A 15 -7.808 -8.016 6.626 1.00 0.00 C ATOM 181 C MET A 15 -9.281 -8.404 6.538 1.00 0.00 C ATOM 182 O MET A 15 -10.121 -7.599 6.139 1.00 0.00 O ATOM 183 CB MET A 15 -7.096 -8.370 5.319 1.00 0.00 C ATOM 184 CG MET A 15 -5.758 -7.670 5.147 1.00 0.00 C ATOM 185 SD MET A 15 -5.913 -5.874 5.110 1.00 0.00 S ATOM 186 CE MET A 15 -4.655 -5.401 6.294 1.00 0.00 C ATOM 0 H MET A 15 -6.402 -9.310 7.490 1.00 0.00 H new ATOM 0 HA MET A 15 -7.744 -6.940 6.787 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.940 -9.448 5.280 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.743 -8.111 4.481 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.095 -7.957 5.963 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.291 -8.010 4.223 1.00 0.00 H new ATOM 0 HE1 MET A 15 -5.130 -5.075 7.219 1.00 0.00 H new ATOM 0 HE2 MET A 15 -4.009 -6.255 6.499 1.00 0.00 H new ATOM 0 HE3 MET A 15 -4.059 -4.585 5.885 1.00 0.00 H new ATOM 196 N GLU A 16 -9.585 -9.643 6.913 1.00 0.00 N ATOM 197 CA GLU A 16 -10.956 -10.137 6.875 1.00 0.00 C ATOM 198 C GLU A 16 -11.851 -9.332 7.812 1.00 0.00 C ATOM 199 O GLU A 16 -12.986 -9.002 7.472 1.00 0.00 O ATOM 200 CB GLU A 16 -10.999 -11.618 7.258 1.00 0.00 C ATOM 201 CG GLU A 16 -12.390 -12.113 7.617 1.00 0.00 C ATOM 202 CD GLU A 16 -12.372 -13.484 8.265 1.00 0.00 C ATOM 203 OE1 GLU A 16 -12.094 -14.473 7.556 1.00 0.00 O ATOM 204 OE2 GLU A 16 -12.635 -13.567 9.483 1.00 0.00 O ATOM 0 H GLU A 16 -8.901 -10.322 7.246 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.328 -10.021 5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.614 -12.211 6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.333 -11.785 8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.861 -11.401 8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.003 -12.149 6.716 1.00 0.00 H new ATOM 211 N ASN A 17 -11.330 -9.019 8.994 1.00 0.00 N ATOM 212 CA ASN A 17 -12.082 -8.254 9.982 1.00 0.00 C ATOM 213 C ASN A 17 -12.253 -6.806 9.533 1.00 0.00 C ATOM 214 O ASN A 17 -13.330 -6.226 9.669 1.00 0.00 O ATOM 215 CB ASN A 17 -11.375 -8.298 11.338 1.00 0.00 C ATOM 216 CG ASN A 17 -11.405 -9.681 11.961 1.00 0.00 C ATOM 217 OD1 ASN A 17 -12.474 -10.222 12.245 1.00 0.00 O ATOM 218 ND2 ASN A 17 -10.229 -10.258 12.177 1.00 0.00 N ATOM 0 H ASN A 17 -10.391 -9.283 9.291 1.00 0.00 H new ATOM 0 HA ASN A 17 -13.069 -8.705 10.079 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.340 -7.980 11.215 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.849 -7.587 12.015 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.186 -11.188 12.594 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.368 -9.772 11.925 1.00 0.00 H new ATOM 225 N MET A 18 -11.183 -6.228 8.996 1.00 0.00 N ATOM 226 CA MET A 18 -11.216 -4.848 8.525 1.00 0.00 C ATOM 227 C MET A 18 -12.141 -4.707 7.321 1.00 0.00 C ATOM 228 O MET A 18 -13.066 -3.894 7.329 1.00 0.00 O ATOM 229 CB MET A 18 -9.807 -4.379 8.158 1.00 0.00 C ATOM 230 CG MET A 18 -9.753 -2.939 7.672 1.00 0.00 C ATOM 231 SD MET A 18 -8.118 -2.469 7.074 1.00 0.00 S ATOM 232 CE MET A 18 -8.123 -3.223 5.449 1.00 0.00 C ATOM 0 H MET A 18 -10.283 -6.693 8.876 1.00 0.00 H new ATOM 0 HA MET A 18 -11.601 -4.224 9.331 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.160 -4.485 9.028 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.406 -5.031 7.382 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.481 -2.802 6.873 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.043 -2.274 8.485 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.139 -3.112 4.994 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.364 -4.282 5.540 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.869 -2.734 4.823 1.00 0.00 H new ATOM 242 N ARG A 19 -11.885 -5.502 6.287 1.00 0.00 N ATOM 243 CA ARG A 19 -12.695 -5.464 5.075 1.00 0.00 C ATOM 244 C ARG A 19 -14.182 -5.435 5.415 1.00 0.00 C ATOM 245 O ARG A 19 -14.985 -4.863 4.680 1.00 0.00 O ATOM 246 CB ARG A 19 -12.386 -6.675 4.192 1.00 0.00 C ATOM 247 CG ARG A 19 -11.036 -6.595 3.499 1.00 0.00 C ATOM 248 CD ARG A 19 -10.737 -7.862 2.713 1.00 0.00 C ATOM 249 NE ARG A 19 -10.161 -8.906 3.556 1.00 0.00 N ATOM 250 CZ ARG A 19 -9.550 -9.984 3.076 1.00 0.00 C ATOM 251 NH1 ARG A 19 -9.436 -10.158 1.767 1.00 0.00 N ATOM 252 NH2 ARG A 19 -9.052 -10.890 3.907 1.00 0.00 N ATOM 0 H ARG A 19 -11.123 -6.180 6.264 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.447 -4.553 4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.418 -7.577 4.803 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.167 -6.773 3.438 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.021 -5.737 2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.254 -6.433 4.241 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.656 -8.231 2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.048 -7.631 1.901 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.231 -8.802 4.568 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.818 -9.463 1.125 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.966 -10.986 1.402 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.138 -10.759 4.915 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.583 -11.717 3.538 1.00 0.00 H new ATOM 266 N ASN A 20 -14.540 -6.056 6.534 1.00 0.00 N ATOM 267 CA ASN A 20 -15.931 -6.102 6.972 1.00 0.00 C ATOM 268 C ASN A 20 -16.433 -4.708 7.335 1.00 0.00 C ATOM 269 O ASN A 20 -17.240 -4.120 6.615 1.00 0.00 O ATOM 270 CB ASN A 20 -16.079 -7.039 8.172 1.00 0.00 C ATOM 271 CG ASN A 20 -16.353 -8.471 7.757 1.00 0.00 C ATOM 272 OD1 ASN A 20 -17.286 -8.743 7.002 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.538 -9.396 8.251 1.00 0.00 N ATOM 0 H ASN A 20 -13.887 -6.534 7.154 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.534 -6.482 6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.169 -7.005 8.770 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.891 -6.686 8.807 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.673 -10.377 8.008 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.777 -9.125 8.874 1.00 0.00 H new ATOM 280 N ASP A 21 -15.950 -4.185 8.456 1.00 0.00 N ATOM 281 CA ASP A 21 -16.348 -2.859 8.915 1.00 0.00 C ATOM 282 C ASP A 21 -16.001 -1.797 7.876 1.00 0.00 C ATOM 283 O ASP A 21 -16.598 -0.721 7.851 1.00 0.00 O ATOM 284 CB ASP A 21 -15.668 -2.531 10.245 1.00 0.00 C ATOM 285 CG ASP A 21 -16.508 -1.617 11.115 1.00 0.00 C ATOM 286 OD1 ASP A 21 -16.852 -0.510 10.653 1.00 0.00 O ATOM 287 OD2 ASP A 21 -16.821 -2.009 12.259 1.00 0.00 O ATOM 0 H ASP A 21 -15.282 -4.659 9.064 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.428 -2.861 9.059 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.466 -3.456 10.784 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.705 -2.059 10.051 1.00 0.00 H new ATOM 292 N ILE A 22 -15.031 -2.107 7.022 1.00 0.00 N ATOM 293 CA ILE A 22 -14.605 -1.180 5.982 1.00 0.00 C ATOM 294 C ILE A 22 -15.548 -1.226 4.784 1.00 0.00 C ATOM 295 O ILE A 22 -15.802 -0.207 4.142 1.00 0.00 O ATOM 296 CB ILE A 22 -13.173 -1.488 5.505 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.153 -0.753 6.377 1.00 0.00 C ATOM 298 CG2 ILE A 22 -13.007 -1.100 4.044 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.173 0.749 6.194 1.00 0.00 C ATOM 0 H ILE A 22 -14.526 -2.993 7.030 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.627 -0.182 6.421 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.997 -2.560 5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.347 -0.986 7.424 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.155 -1.126 6.147 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.990 -1.324 3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.713 -1.664 3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.199 -0.033 3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.425 1.205 6.843 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.949 0.992 5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.160 1.134 6.452 1.00 0.00 H new ATOM 311 N ALA A 23 -16.067 -2.414 4.492 1.00 0.00 N ATOM 312 CA ALA A 23 -16.985 -2.592 3.374 1.00 0.00 C ATOM 313 C ALA A 23 -18.412 -2.233 3.774 1.00 0.00 C ATOM 314 O ALA A 23 -19.256 -1.959 2.920 1.00 0.00 O ATOM 315 CB ALA A 23 -16.923 -4.024 2.863 1.00 0.00 C ATOM 0 H ALA A 23 -15.867 -3.267 5.014 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.679 -1.919 2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.614 -4.143 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.910 -4.248 2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.201 -4.709 3.664 1.00 0.00 H new ATOM 321 N SER A 24 -18.676 -2.237 5.077 1.00 0.00 N ATOM 322 CA SER A 24 -20.003 -1.915 5.589 1.00 0.00 C ATOM 323 C SER A 24 -20.081 -0.452 6.015 1.00 0.00 C ATOM 324 O SER A 24 -21.131 0.182 5.907 1.00 0.00 O ATOM 325 CB SER A 24 -20.349 -2.822 6.772 1.00 0.00 C ATOM 326 OG SER A 24 -21.752 -2.969 6.908 1.00 0.00 O ATOM 0 H SER A 24 -17.989 -2.460 5.797 1.00 0.00 H new ATOM 0 HA SER A 24 -20.725 -2.081 4.789 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.890 -3.800 6.631 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.933 -2.404 7.689 1.00 0.00 H new ATOM 0 HG SER A 24 -21.947 -3.554 7.670 1.00 0.00 H new ATOM 332 N HIS A 25 -18.962 0.077 6.500 1.00 0.00 N ATOM 333 CA HIS A 25 -18.902 1.466 6.942 1.00 0.00 C ATOM 334 C HIS A 25 -17.690 2.174 6.345 1.00 0.00 C ATOM 335 O HIS A 25 -16.870 2.757 7.055 1.00 0.00 O ATOM 336 CB HIS A 25 -18.848 1.535 8.468 1.00 0.00 C ATOM 337 CG HIS A 25 -20.198 1.600 9.114 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.730 2.763 9.630 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.126 0.638 9.324 1.00 0.00 C ATOM 340 CE1 HIS A 25 -21.926 2.513 10.131 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.191 1.230 9.957 1.00 0.00 N ATOM 0 H HIS A 25 -18.085 -0.435 6.597 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.803 1.972 6.595 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.316 0.661 8.844 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.271 2.411 8.763 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -21.044 -0.402 9.045 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.577 3.234 10.603 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -23.047 0.757 10.246 1.00 0.00 H new ATOM 349 N PRO A 26 -17.572 2.123 5.010 1.00 0.00 N ATOM 350 CA PRO A 26 -16.463 2.755 4.289 1.00 0.00 C ATOM 351 C PRO A 26 -16.222 4.192 4.739 1.00 0.00 C ATOM 352 O PRO A 26 -17.146 4.912 5.117 1.00 0.00 O ATOM 353 CB PRO A 26 -16.925 2.722 2.830 1.00 0.00 C ATOM 354 CG PRO A 26 -17.867 1.570 2.756 1.00 0.00 C ATOM 355 CD PRO A 26 -18.513 1.446 4.102 1.00 0.00 C ATOM 0 HA PRO A 26 -15.518 2.241 4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.416 3.654 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.083 2.589 2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.617 1.734 1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.336 0.654 2.497 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.495 1.919 4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.657 0.402 4.381 1.00 0.00 H new ATOM 363 N PRO A 27 -14.952 4.620 4.698 1.00 0.00 N ATOM 364 CA PRO A 27 -14.560 5.975 5.097 1.00 0.00 C ATOM 365 C PRO A 27 -15.052 7.034 4.116 1.00 0.00 C ATOM 366 O PRO A 27 -15.518 6.713 3.023 1.00 0.00 O ATOM 367 CB PRO A 27 -13.031 5.917 5.098 1.00 0.00 C ATOM 368 CG PRO A 27 -12.693 4.826 4.141 1.00 0.00 C ATOM 369 CD PRO A 27 -13.800 3.815 4.257 1.00 0.00 C ATOM 0 HA PRO A 27 -14.990 6.256 6.058 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.599 6.867 4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.643 5.704 6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.619 5.209 3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.729 4.379 4.384 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.995 3.322 3.305 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.557 3.033 4.977 1.00 0.00 H new ATOM 377 N VAL A 28 -14.946 8.298 4.514 1.00 0.00 N ATOM 378 CA VAL A 28 -15.378 9.404 3.669 1.00 0.00 C ATOM 379 C VAL A 28 -14.290 9.796 2.676 1.00 0.00 C ATOM 380 O VAL A 28 -13.180 10.156 3.067 1.00 0.00 O ATOM 381 CB VAL A 28 -15.759 10.637 4.510 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.067 11.823 3.609 1.00 0.00 C ATOM 383 CG2 VAL A 28 -16.941 10.321 5.413 1.00 0.00 C ATOM 0 H VAL A 28 -14.565 8.581 5.417 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.256 9.060 3.123 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.910 10.902 5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.334 12.685 4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.189 12.062 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.899 11.573 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.197 11.203 6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -17.797 10.030 4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.678 9.503 6.084 1.00 0.00 H new ATOM 393 N GLU A 29 -14.616 9.723 1.389 1.00 0.00 N ATOM 394 CA GLU A 29 -13.664 10.070 0.340 1.00 0.00 C ATOM 395 C GLU A 29 -13.284 11.546 0.417 1.00 0.00 C ATOM 396 O GLU A 29 -14.103 12.424 0.152 1.00 0.00 O ATOM 397 CB GLU A 29 -14.252 9.755 -1.037 1.00 0.00 C ATOM 398 CG GLU A 29 -15.331 10.731 -1.476 1.00 0.00 C ATOM 399 CD GLU A 29 -16.305 10.119 -2.464 1.00 0.00 C ATOM 400 OE1 GLU A 29 -16.917 9.083 -2.129 1.00 0.00 O ATOM 401 OE2 GLU A 29 -16.454 10.674 -3.573 1.00 0.00 O ATOM 0 H GLU A 29 -15.531 9.427 1.048 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.765 9.473 0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.450 9.758 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.669 8.748 -1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.879 11.079 -0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.863 11.605 -1.928 1.00 0.00 H new ATOM 408 N GLY A 30 -12.033 11.810 0.784 1.00 0.00 N ATOM 409 CA GLY A 30 -11.565 13.180 0.891 1.00 0.00 C ATOM 410 C GLY A 30 -11.741 13.746 2.286 1.00 0.00 C ATOM 411 O GLY A 30 -11.961 14.945 2.453 1.00 0.00 O ATOM 0 H GLY A 30 -11.336 11.100 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.511 13.223 0.615 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.107 13.802 0.179 1.00 0.00 H new ATOM 415 N SER A 31 -11.646 12.880 3.290 1.00 0.00 N ATOM 416 CA SER A 31 -11.802 13.300 4.678 1.00 0.00 C ATOM 417 C SER A 31 -10.478 13.198 5.428 1.00 0.00 C ATOM 418 O SER A 31 -10.068 14.133 6.117 1.00 0.00 O ATOM 419 CB SER A 31 -12.864 12.446 5.375 1.00 0.00 C ATOM 420 OG SER A 31 -12.729 12.515 6.784 1.00 0.00 O ATOM 0 H SER A 31 -11.462 11.884 3.168 1.00 0.00 H new ATOM 0 HA SER A 31 -12.123 14.342 4.683 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.858 12.787 5.085 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.774 11.410 5.048 1.00 0.00 H new ATOM 0 HG SER A 31 -13.420 11.962 7.206 1.00 0.00 H new ATOM 426 N TYR A 32 -9.814 12.056 5.290 1.00 0.00 N ATOM 427 CA TYR A 32 -8.537 11.829 5.957 1.00 0.00 C ATOM 428 C TYR A 32 -7.396 12.485 5.185 1.00 0.00 C ATOM 429 O TYR A 32 -7.233 12.262 3.986 1.00 0.00 O ATOM 430 CB TYR A 32 -8.273 10.329 6.102 1.00 0.00 C ATOM 431 CG TYR A 32 -6.812 9.987 6.291 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.929 10.011 5.219 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.316 9.640 7.542 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.594 9.698 5.387 1.00 0.00 C ATOM 435 CE2 TYR A 32 -4.982 9.327 7.719 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.125 9.357 6.639 1.00 0.00 C ATOM 437 OH TYR A 32 -2.796 9.046 6.810 1.00 0.00 O ATOM 0 H TYR A 32 -10.139 11.273 4.722 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.588 12.280 6.948 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.839 9.949 6.952 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.646 9.816 5.216 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.292 10.279 4.238 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.984 9.615 8.390 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.921 9.720 4.543 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.612 9.060 8.698 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.537 8.354 6.166 1.00 0.00 H new ATOM 447 N ALA A 33 -6.607 13.295 5.884 1.00 0.00 N ATOM 448 CA ALA A 33 -5.479 13.982 5.267 1.00 0.00 C ATOM 449 C ALA A 33 -4.192 13.181 5.431 1.00 0.00 C ATOM 450 O ALA A 33 -3.666 13.025 6.533 1.00 0.00 O ATOM 451 CB ALA A 33 -5.318 15.372 5.864 1.00 0.00 C ATOM 0 H ALA A 33 -6.728 13.491 6.878 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.682 14.078 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.472 15.874 5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.225 15.950 5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.141 15.289 6.936 1.00 0.00 H new ATOM 457 N PRO A 34 -3.671 12.660 4.310 1.00 0.00 N ATOM 458 CA PRO A 34 -2.439 11.866 4.305 1.00 0.00 C ATOM 459 C PRO A 34 -1.205 12.709 4.602 1.00 0.00 C ATOM 460 O PRO A 34 -1.004 13.766 4.004 1.00 0.00 O ATOM 461 CB PRO A 34 -2.379 11.315 2.878 1.00 0.00 C ATOM 462 CG PRO A 34 -3.157 12.289 2.062 1.00 0.00 C ATOM 463 CD PRO A 34 -4.245 12.806 2.962 1.00 0.00 C ATOM 0 HA PRO A 34 -2.448 11.095 5.075 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.350 11.237 2.527 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.812 10.316 2.821 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.520 13.102 1.712 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.577 11.810 1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.490 13.845 2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.164 12.231 2.852 1.00 0.00 H new ATOM 471 N ARG A 35 -0.380 12.235 5.530 1.00 0.00 N ATOM 472 CA ARG A 35 0.836 12.947 5.908 1.00 0.00 C ATOM 473 C ARG A 35 2.067 12.071 5.697 1.00 0.00 C ATOM 474 O ARG A 35 2.014 10.854 5.878 1.00 0.00 O ATOM 475 CB ARG A 35 0.758 13.393 7.369 1.00 0.00 C ATOM 476 CG ARG A 35 -0.360 14.385 7.645 1.00 0.00 C ATOM 477 CD ARG A 35 0.062 15.807 7.308 1.00 0.00 C ATOM 478 NE ARG A 35 -0.179 16.131 5.904 1.00 0.00 N ATOM 479 CZ ARG A 35 -1.346 16.562 5.440 1.00 0.00 C ATOM 480 NH1 ARG A 35 -2.373 16.722 6.263 1.00 0.00 N ATOM 481 NH2 ARG A 35 -1.487 16.836 4.149 1.00 0.00 N ATOM 0 H ARG A 35 -0.531 11.361 6.034 1.00 0.00 H new ATOM 0 HA ARG A 35 0.925 13.827 5.271 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.618 12.516 8.001 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.709 13.842 7.654 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.239 14.117 7.059 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.647 14.329 8.695 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.484 16.507 7.941 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.121 15.934 7.533 1.00 0.00 H new ATOM 0 HE ARG A 35 0.591 16.020 5.244 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.268 16.514 7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.268 17.053 5.903 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.699 16.715 3.513 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.384 17.167 3.793 1.00 0.00 H new ATOM 495 N ARG A 36 3.174 12.698 5.312 1.00 0.00 N ATOM 496 CA ARG A 36 4.417 11.975 5.074 1.00 0.00 C ATOM 497 C ARG A 36 4.867 11.238 6.333 1.00 0.00 C ATOM 498 O ARG A 36 5.299 11.856 7.305 1.00 0.00 O ATOM 499 CB ARG A 36 5.513 12.939 4.616 1.00 0.00 C ATOM 500 CG ARG A 36 6.862 12.272 4.404 1.00 0.00 C ATOM 501 CD ARG A 36 7.673 12.983 3.332 1.00 0.00 C ATOM 502 NE ARG A 36 8.509 14.042 3.890 1.00 0.00 N ATOM 503 CZ ARG A 36 9.041 15.019 3.164 1.00 0.00 C ATOM 504 NH1 ARG A 36 8.823 15.072 1.857 1.00 0.00 N ATOM 505 NH2 ARG A 36 9.791 15.947 3.745 1.00 0.00 N ATOM 0 H ARG A 36 3.235 13.705 5.158 1.00 0.00 H new ATOM 0 HA ARG A 36 4.236 11.241 4.289 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.202 13.414 3.685 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.621 13.731 5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.419 12.269 5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.713 11.231 4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.302 12.259 2.814 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.998 13.408 2.589 1.00 0.00 H new ATOM 0 HE ARG A 36 8.695 14.031 4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.246 14.362 1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.233 15.823 1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.960 15.911 4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.199 16.697 3.186 1.00 0.00 H new ATOM 519 N GLY A 37 4.762 9.913 6.306 1.00 0.00 N ATOM 520 CA GLY A 37 5.161 9.114 7.450 1.00 0.00 C ATOM 521 C GLY A 37 3.991 8.762 8.348 1.00 0.00 C ATOM 522 O GLY A 37 4.147 8.641 9.562 1.00 0.00 O ATOM 0 H GLY A 37 4.408 9.379 5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.636 8.197 7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.907 9.659 8.028 1.00 0.00 H new ATOM 526 N GLU A 38 2.815 8.600 7.749 1.00 0.00 N ATOM 527 CA GLU A 38 1.614 8.262 8.504 1.00 0.00 C ATOM 528 C GLU A 38 0.915 7.048 7.900 1.00 0.00 C ATOM 529 O GLU A 38 0.750 6.954 6.684 1.00 0.00 O ATOM 530 CB GLU A 38 0.654 9.453 8.537 1.00 0.00 C ATOM 531 CG GLU A 38 0.878 10.383 9.718 1.00 0.00 C ATOM 532 CD GLU A 38 0.420 9.779 11.031 1.00 0.00 C ATOM 533 OE1 GLU A 38 0.807 8.628 11.321 1.00 0.00 O ATOM 534 OE2 GLU A 38 -0.326 10.458 11.768 1.00 0.00 O ATOM 0 H GLU A 38 2.669 8.697 6.744 1.00 0.00 H new ATOM 0 HA GLU A 38 1.913 8.017 9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.761 10.021 7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.371 9.082 8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.938 10.629 9.786 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.344 11.317 9.546 1.00 0.00 H new ATOM 541 N PHE A 39 0.507 6.120 8.759 1.00 0.00 N ATOM 542 CA PHE A 39 -0.173 4.910 8.311 1.00 0.00 C ATOM 543 C PHE A 39 -1.637 5.197 7.987 1.00 0.00 C ATOM 544 O PHE A 39 -2.248 6.094 8.569 1.00 0.00 O ATOM 545 CB PHE A 39 -0.080 3.821 9.382 1.00 0.00 C ATOM 546 CG PHE A 39 1.285 3.204 9.492 1.00 0.00 C ATOM 547 CD1 PHE A 39 1.738 2.316 8.529 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.115 3.511 10.558 1.00 0.00 C ATOM 549 CE1 PHE A 39 2.993 1.746 8.629 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.371 2.945 10.663 1.00 0.00 C ATOM 551 CZ PHE A 39 3.811 2.061 9.696 1.00 0.00 C ATOM 0 H PHE A 39 0.635 6.182 9.769 1.00 0.00 H new ATOM 0 HA PHE A 39 0.320 4.561 7.404 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.356 4.247 10.347 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.806 3.040 9.158 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.103 2.067 7.691 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.776 4.201 11.316 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.334 1.054 7.873 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.008 3.193 11.499 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.793 1.617 9.775 1.00 0.00 H new ATOM 561 N CYS A 40 -2.191 4.430 7.055 1.00 0.00 N ATOM 562 CA CYS A 40 -3.582 4.601 6.652 1.00 0.00 C ATOM 563 C CYS A 40 -3.998 3.520 5.660 1.00 0.00 C ATOM 564 O CYS A 40 -3.159 2.781 5.145 1.00 0.00 O ATOM 565 CB CYS A 40 -3.789 5.985 6.033 1.00 0.00 C ATOM 566 SG CYS A 40 -2.580 6.411 4.758 1.00 0.00 S ATOM 0 H CYS A 40 -1.698 3.684 6.564 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.206 4.511 7.542 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.789 6.032 5.601 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.747 6.735 6.823 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.956 7.496 4.148 1.00 0.00 H new ATOM 572 N ILE A 41 -5.298 3.432 5.399 1.00 0.00 N ATOM 573 CA ILE A 41 -5.825 2.441 4.470 1.00 0.00 C ATOM 574 C ILE A 41 -6.015 3.037 3.079 1.00 0.00 C ATOM 575 O ILE A 41 -6.471 4.171 2.936 1.00 0.00 O ATOM 576 CB ILE A 41 -7.169 1.869 4.959 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.193 2.992 5.133 1.00 0.00 C ATOM 578 CG2 ILE A 41 -6.978 1.111 6.265 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.554 2.505 5.578 1.00 0.00 C ATOM 0 H ILE A 41 -6.006 4.035 5.818 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.093 1.635 4.420 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.545 1.173 4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.815 3.707 5.864 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.298 3.526 4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.936 0.713 6.598 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.278 0.290 6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.583 1.787 7.023 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.229 3.355 5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.953 1.813 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.463 1.996 6.538 1.00 0.00 H new ATOM 591 N ALA A 42 -5.665 2.264 2.057 1.00 0.00 N ATOM 592 CA ALA A 42 -5.800 2.714 0.677 1.00 0.00 C ATOM 593 C ALA A 42 -6.714 1.786 -0.115 1.00 0.00 C ATOM 594 O ALA A 42 -6.648 0.564 0.024 1.00 0.00 O ATOM 595 CB ALA A 42 -4.433 2.804 0.015 1.00 0.00 C ATOM 0 H ALA A 42 -5.286 1.323 2.158 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.252 3.706 0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.549 3.141 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.810 3.513 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.959 1.823 0.024 1.00 0.00 H new ATOM 601 N LYS A 43 -7.568 2.373 -0.947 1.00 0.00 N ATOM 602 CA LYS A 43 -8.496 1.599 -1.764 1.00 0.00 C ATOM 603 C LYS A 43 -7.812 1.087 -3.027 1.00 0.00 C ATOM 604 O LYS A 43 -7.248 1.863 -3.798 1.00 0.00 O ATOM 605 CB LYS A 43 -9.711 2.451 -2.138 1.00 0.00 C ATOM 606 CG LYS A 43 -10.978 1.642 -2.354 1.00 0.00 C ATOM 607 CD LYS A 43 -12.220 2.510 -2.241 1.00 0.00 C ATOM 608 CE LYS A 43 -13.415 1.711 -1.745 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.140 1.046 -2.864 1.00 0.00 N ATOM 0 H LYS A 43 -7.637 3.383 -1.073 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.828 0.741 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.887 3.183 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.487 3.009 -3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.949 1.174 -3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.027 0.838 -1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.026 3.338 -1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.450 2.946 -3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.078 0.958 -1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.098 2.372 -1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.152 1.281 -2.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.756 1.377 -3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.019 0.016 -2.792 1.00 0.00 H new ATOM 623 N PHE A 44 -7.869 -0.225 -3.235 1.00 0.00 N ATOM 624 CA PHE A 44 -7.255 -0.840 -4.406 1.00 0.00 C ATOM 625 C PHE A 44 -8.223 -0.849 -5.586 1.00 0.00 C ATOM 626 O PHE A 44 -9.440 -0.798 -5.405 1.00 0.00 O ATOM 627 CB PHE A 44 -6.812 -2.269 -4.084 1.00 0.00 C ATOM 628 CG PHE A 44 -5.832 -2.830 -5.075 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.642 -2.172 -5.341 1.00 0.00 C ATOM 630 CD2 PHE A 44 -6.101 -4.016 -5.739 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.740 -2.686 -6.253 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.201 -4.535 -6.652 1.00 0.00 C ATOM 633 CZ PHE A 44 -4.019 -3.869 -6.908 1.00 0.00 C ATOM 0 H PHE A 44 -8.334 -0.882 -2.608 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.381 -0.249 -4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.363 -2.287 -3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.690 -2.914 -4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.417 -1.247 -4.830 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.024 -4.541 -5.541 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.817 -2.162 -6.453 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.422 -5.460 -7.164 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.314 -4.273 -7.619 1.00 0.00 H new ATOM 643 N VAL A 45 -7.673 -0.914 -6.794 1.00 0.00 N ATOM 644 CA VAL A 45 -8.486 -0.930 -8.004 1.00 0.00 C ATOM 645 C VAL A 45 -9.691 -1.851 -7.844 1.00 0.00 C ATOM 646 O VAL A 45 -10.720 -1.663 -8.494 1.00 0.00 O ATOM 647 CB VAL A 45 -7.666 -1.384 -9.226 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.484 -0.453 -9.451 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.198 -2.821 -9.050 1.00 0.00 C ATOM 0 H VAL A 45 -6.668 -0.956 -6.961 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.831 0.091 -8.167 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.305 -1.340 -10.108 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.916 -0.789 -10.318 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.847 0.560 -9.625 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.841 -0.462 -8.571 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.620 -3.125 -9.923 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.575 -2.894 -8.159 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.063 -3.475 -8.942 1.00 0.00 H new ATOM 659 N ASP A 46 -9.556 -2.847 -6.976 1.00 0.00 N ATOM 660 CA ASP A 46 -10.634 -3.798 -6.729 1.00 0.00 C ATOM 661 C ASP A 46 -11.482 -3.360 -5.538 1.00 0.00 C ATOM 662 O ASP A 46 -12.066 -4.189 -4.842 1.00 0.00 O ATOM 663 CB ASP A 46 -10.064 -5.195 -6.479 1.00 0.00 C ATOM 664 CG ASP A 46 -11.147 -6.247 -6.348 1.00 0.00 C ATOM 665 OD1 ASP A 46 -11.860 -6.492 -7.344 1.00 0.00 O ATOM 666 OD2 ASP A 46 -11.281 -6.827 -5.251 1.00 0.00 O ATOM 0 H ASP A 46 -8.711 -3.017 -6.431 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.270 -3.827 -7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.397 -5.464 -7.298 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.463 -5.182 -5.570 1.00 0.00 H new ATOM 671 N GLY A 47 -11.543 -2.052 -5.310 1.00 0.00 N ATOM 672 CA GLY A 47 -12.320 -1.527 -4.202 1.00 0.00 C ATOM 673 C GLY A 47 -11.970 -2.189 -2.884 1.00 0.00 C ATOM 674 O GLY A 47 -12.758 -2.158 -1.939 1.00 0.00 O ATOM 0 H GLY A 47 -11.068 -1.346 -5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.153 -0.453 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.381 -1.670 -4.406 1.00 0.00 H new ATOM 678 N GLU A 48 -10.786 -2.790 -2.821 1.00 0.00 N ATOM 679 CA GLU A 48 -10.336 -3.463 -1.609 1.00 0.00 C ATOM 680 C GLU A 48 -9.366 -2.583 -0.825 1.00 0.00 C ATOM 681 O GLU A 48 -8.338 -2.155 -1.350 1.00 0.00 O ATOM 682 CB GLU A 48 -9.667 -4.794 -1.957 1.00 0.00 C ATOM 683 CG GLU A 48 -10.643 -5.866 -2.412 1.00 0.00 C ATOM 684 CD GLU A 48 -11.784 -6.069 -1.434 1.00 0.00 C ATOM 685 OE1 GLU A 48 -11.509 -6.364 -0.252 1.00 0.00 O ATOM 686 OE2 GLU A 48 -12.953 -5.932 -1.851 1.00 0.00 O ATOM 0 H GLU A 48 -10.122 -2.824 -3.594 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.209 -3.655 -0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.932 -4.626 -2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.123 -5.156 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.049 -5.593 -3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.109 -6.807 -2.542 1.00 0.00 H new ATOM 693 N TRP A 49 -9.701 -2.318 0.432 1.00 0.00 N ATOM 694 CA TRP A 49 -8.861 -1.489 1.288 1.00 0.00 C ATOM 695 C TRP A 49 -7.665 -2.280 1.807 1.00 0.00 C ATOM 696 O TRP A 49 -7.783 -3.462 2.129 1.00 0.00 O ATOM 697 CB TRP A 49 -9.675 -0.943 2.462 1.00 0.00 C ATOM 698 CG TRP A 49 -10.657 0.116 2.062 1.00 0.00 C ATOM 699 CD1 TRP A 49 -11.963 -0.068 1.709 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.411 1.524 1.974 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.544 1.140 1.405 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.612 2.132 1.561 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.293 2.330 2.205 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.724 3.507 1.374 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.405 3.694 2.018 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.614 4.272 1.607 1.00 0.00 C ATOM 0 H TRP A 49 -10.548 -2.665 0.881 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.491 -0.654 0.693 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.211 -1.765 2.937 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -8.994 -0.534 3.208 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.466 -1.023 1.674 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.511 1.276 1.111 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.358 1.894 2.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.654 3.954 1.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.546 4.326 2.191 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.670 5.342 1.472 1.00 0.00 H new ATOM 717 N TYR A 50 -6.515 -1.620 1.886 1.00 0.00 N ATOM 718 CA TYR A 50 -5.296 -2.262 2.365 1.00 0.00 C ATOM 719 C TYR A 50 -4.450 -1.288 3.178 1.00 0.00 C ATOM 720 O TYR A 50 -4.522 -0.074 2.984 1.00 0.00 O ATOM 721 CB TYR A 50 -4.483 -2.802 1.187 1.00 0.00 C ATOM 722 CG TYR A 50 -5.184 -3.901 0.420 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.278 -5.186 0.940 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.753 -3.654 -0.823 1.00 0.00 C ATOM 725 CE1 TYR A 50 -5.916 -6.193 0.242 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.394 -4.655 -1.527 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.473 -5.923 -0.990 1.00 0.00 C ATOM 728 OH TYR A 50 -7.111 -6.923 -1.687 1.00 0.00 O ATOM 0 H TYR A 50 -6.401 -0.641 1.625 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.582 -3.092 3.011 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.258 -1.982 0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.530 -3.180 1.557 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.845 -5.401 1.906 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.693 -2.662 -1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.978 -7.187 0.659 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.831 -4.446 -2.492 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.448 -6.567 -2.535 1.00 0.00 H new ATOM 738 N ARG A 51 -3.647 -1.829 4.088 1.00 0.00 N ATOM 739 CA ARG A 51 -2.786 -1.009 4.932 1.00 0.00 C ATOM 740 C ARG A 51 -1.601 -0.469 4.137 1.00 0.00 C ATOM 741 O ARG A 51 -0.932 -1.212 3.419 1.00 0.00 O ATOM 742 CB ARG A 51 -2.284 -1.822 6.127 1.00 0.00 C ATOM 743 CG ARG A 51 -3.254 -1.847 7.296 1.00 0.00 C ATOM 744 CD ARG A 51 -2.526 -2.007 8.622 1.00 0.00 C ATOM 745 NE ARG A 51 -2.370 -3.410 8.995 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.360 -4.171 8.587 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.421 -3.667 7.799 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.287 -5.440 8.970 1.00 0.00 N ATOM 0 H ARG A 51 -3.575 -2.832 4.260 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.373 -0.165 5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.091 -2.845 5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.333 -1.409 6.463 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.835 -0.925 7.308 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.960 -2.667 7.166 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.544 -1.538 8.555 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.077 -1.483 9.403 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.075 -3.829 9.602 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.472 -2.692 7.504 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.353 -4.254 7.488 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.007 -5.831 9.578 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.511 -6.024 8.656 1.00 0.00 H new ATOM 762 N ALA A 52 -1.347 0.829 4.270 1.00 0.00 N ATOM 763 CA ALA A 52 -0.243 1.468 3.566 1.00 0.00 C ATOM 764 C ALA A 52 0.276 2.676 4.340 1.00 0.00 C ATOM 765 O ALA A 52 -0.479 3.340 5.050 1.00 0.00 O ATOM 766 CB ALA A 52 -0.677 1.881 2.168 1.00 0.00 C ATOM 0 H ALA A 52 -1.892 1.458 4.859 1.00 0.00 H new ATOM 0 HA ALA A 52 0.569 0.746 3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.158 2.357 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.992 1.000 1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.508 2.583 2.237 1.00 0.00 H new ATOM 772 N ARG A 53 1.567 2.954 4.197 1.00 0.00 N ATOM 773 CA ARG A 53 2.187 4.081 4.884 1.00 0.00 C ATOM 774 C ARG A 53 2.557 5.183 3.896 1.00 0.00 C ATOM 775 O ARG A 53 3.362 4.973 2.988 1.00 0.00 O ATOM 776 CB ARG A 53 3.433 3.621 5.642 1.00 0.00 C ATOM 777 CG ARG A 53 4.108 4.729 6.434 1.00 0.00 C ATOM 778 CD ARG A 53 5.167 4.175 7.375 1.00 0.00 C ATOM 779 NE ARG A 53 6.080 3.260 6.694 1.00 0.00 N ATOM 780 CZ ARG A 53 6.983 2.519 7.326 1.00 0.00 C ATOM 781 NH1 ARG A 53 7.093 2.583 8.645 1.00 0.00 N ATOM 782 NH2 ARG A 53 7.778 1.709 6.637 1.00 0.00 N ATOM 0 H ARG A 53 2.205 2.414 3.612 1.00 0.00 H new ATOM 0 HA ARG A 53 1.465 4.482 5.595 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.157 2.816 6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.148 3.207 4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.566 5.441 5.748 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.360 5.275 7.008 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.735 4.999 7.807 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.682 3.655 8.201 1.00 0.00 H new ATOM 0 HE ARG A 53 6.021 3.186 5.678 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.483 3.203 9.178 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.788 2.012 9.127 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.695 1.656 5.622 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.471 1.140 7.123 1.00 0.00 H new ATOM 796 N VAL A 54 1.964 6.358 4.079 1.00 0.00 N ATOM 797 CA VAL A 54 2.231 7.494 3.205 1.00 0.00 C ATOM 798 C VAL A 54 3.728 7.678 2.985 1.00 0.00 C ATOM 799 O VAL A 54 4.486 7.867 3.936 1.00 0.00 O ATOM 800 CB VAL A 54 1.645 8.796 3.781 1.00 0.00 C ATOM 801 CG1 VAL A 54 1.994 9.979 2.891 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.138 8.672 3.951 1.00 0.00 C ATOM 0 H VAL A 54 1.295 6.548 4.825 1.00 0.00 H new ATOM 0 HA VAL A 54 1.750 7.279 2.251 1.00 0.00 H new ATOM 0 HB VAL A 54 2.086 8.969 4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.571 10.890 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.078 10.078 2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.584 9.818 1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.260 9.601 4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.322 8.474 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.085 7.851 4.633 1.00 0.00 H new ATOM 812 N GLU A 55 4.148 7.620 1.725 1.00 0.00 N ATOM 813 CA GLU A 55 5.555 7.780 1.380 1.00 0.00 C ATOM 814 C GLU A 55 5.857 9.221 0.978 1.00 0.00 C ATOM 815 O GLU A 55 6.838 9.812 1.430 1.00 0.00 O ATOM 816 CB GLU A 55 5.936 6.830 0.243 1.00 0.00 C ATOM 817 CG GLU A 55 5.904 5.364 0.637 1.00 0.00 C ATOM 818 CD GLU A 55 6.565 4.468 -0.392 1.00 0.00 C ATOM 819 OE1 GLU A 55 6.133 4.489 -1.563 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.515 3.744 -0.025 1.00 0.00 O ATOM 0 H GLU A 55 3.533 7.463 0.926 1.00 0.00 H new ATOM 0 HA GLU A 55 6.148 7.536 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.255 6.987 -0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.937 7.081 -0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.405 5.239 1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.869 5.051 0.774 1.00 0.00 H new ATOM 827 N LYS A 56 5.007 9.780 0.123 1.00 0.00 N ATOM 828 CA LYS A 56 5.180 11.151 -0.342 1.00 0.00 C ATOM 829 C LYS A 56 3.843 11.758 -0.754 1.00 0.00 C ATOM 830 O LYS A 56 3.216 11.311 -1.715 1.00 0.00 O ATOM 831 CB LYS A 56 6.156 11.193 -1.519 1.00 0.00 C ATOM 832 CG LYS A 56 5.871 12.312 -2.506 1.00 0.00 C ATOM 833 CD LYS A 56 7.030 12.517 -3.467 1.00 0.00 C ATOM 834 CE LYS A 56 6.982 13.893 -4.113 1.00 0.00 C ATOM 835 NZ LYS A 56 7.267 14.977 -3.133 1.00 0.00 N ATOM 0 H LYS A 56 4.191 9.304 -0.262 1.00 0.00 H new ATOM 0 HA LYS A 56 5.588 11.739 0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.170 11.308 -1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.120 10.239 -2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.967 12.080 -3.069 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.680 13.237 -1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.972 12.398 -2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.003 11.750 -4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.707 13.938 -4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.998 14.052 -4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.496 15.675 -3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.342 14.571 -2.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.163 15.443 -3.382 1.00 0.00 H new ATOM 849 N VAL A 57 3.411 12.781 -0.022 1.00 0.00 N ATOM 850 CA VAL A 57 2.150 13.452 -0.314 1.00 0.00 C ATOM 851 C VAL A 57 2.357 14.621 -1.270 1.00 0.00 C ATOM 852 O VAL A 57 2.944 15.639 -0.902 1.00 0.00 O ATOM 853 CB VAL A 57 1.478 13.967 0.972 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.175 14.681 0.645 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.238 12.821 1.943 1.00 0.00 C ATOM 0 H VAL A 57 3.916 13.163 0.778 1.00 0.00 H new ATOM 0 HA VAL A 57 1.500 12.714 -0.784 1.00 0.00 H new ATOM 0 HB VAL A 57 2.147 14.683 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.285 15.038 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.379 15.528 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.503 13.990 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.762 13.203 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.589 12.079 1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.190 12.358 2.202 1.00 0.00 H new ATOM 865 N GLU A 58 1.872 14.469 -2.498 1.00 0.00 N ATOM 866 CA GLU A 58 2.004 15.513 -3.506 1.00 0.00 C ATOM 867 C GLU A 58 0.822 16.477 -3.451 1.00 0.00 C ATOM 868 O GLU A 58 0.982 17.654 -3.128 1.00 0.00 O ATOM 869 CB GLU A 58 2.108 14.895 -4.902 1.00 0.00 C ATOM 870 CG GLU A 58 3.517 14.466 -5.275 1.00 0.00 C ATOM 871 CD GLU A 58 4.439 15.643 -5.522 1.00 0.00 C ATOM 872 OE1 GLU A 58 4.886 16.265 -4.536 1.00 0.00 O ATOM 873 OE2 GLU A 58 4.714 15.943 -6.703 1.00 0.00 O ATOM 0 H GLU A 58 1.384 13.633 -2.818 1.00 0.00 H new ATOM 0 HA GLU A 58 2.916 16.072 -3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.447 14.030 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.750 15.616 -5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.928 13.849 -4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.479 13.845 -6.170 1.00 0.00 H new ATOM 880 N SER A 59 -0.364 15.967 -3.768 1.00 0.00 N ATOM 881 CA SER A 59 -1.573 16.783 -3.759 1.00 0.00 C ATOM 882 C SER A 59 -2.791 15.943 -3.386 1.00 0.00 C ATOM 883 O SER A 59 -2.776 14.714 -3.457 1.00 0.00 O ATOM 884 CB SER A 59 -1.786 17.432 -5.128 1.00 0.00 C ATOM 885 OG SER A 59 -0.550 17.660 -5.782 1.00 0.00 O ATOM 0 H SER A 59 -0.514 14.994 -4.034 1.00 0.00 H new ATOM 0 HA SER A 59 -1.449 17.565 -3.010 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.414 16.789 -5.745 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.317 18.376 -5.008 1.00 0.00 H new ATOM 0 HG SER A 59 -0.713 18.074 -6.655 1.00 0.00 H new ATOM 891 N PRO A 60 -3.874 16.622 -2.979 1.00 0.00 N ATOM 892 CA PRO A 60 -5.122 15.960 -2.588 1.00 0.00 C ATOM 893 C PRO A 60 -5.565 14.911 -3.601 1.00 0.00 C ATOM 894 O PRO A 60 -6.394 14.053 -3.299 1.00 0.00 O ATOM 895 CB PRO A 60 -6.131 17.110 -2.533 1.00 0.00 C ATOM 896 CG PRO A 60 -5.310 18.322 -2.257 1.00 0.00 C ATOM 897 CD PRO A 60 -3.964 18.088 -2.871 1.00 0.00 C ATOM 0 HA PRO A 60 -5.019 15.419 -1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.674 17.205 -3.473 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.873 16.948 -1.751 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.778 19.210 -2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.220 18.491 -1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.881 18.566 -3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.165 18.493 -2.249 1.00 0.00 H new ATOM 905 N ALA A 61 -5.006 14.985 -4.805 1.00 0.00 N ATOM 906 CA ALA A 61 -5.342 14.039 -5.862 1.00 0.00 C ATOM 907 C ALA A 61 -4.220 13.028 -6.071 1.00 0.00 C ATOM 908 O ALA A 61 -4.437 11.949 -6.622 1.00 0.00 O ATOM 909 CB ALA A 61 -5.635 14.779 -7.159 1.00 0.00 C ATOM 0 H ALA A 61 -4.319 15.690 -5.072 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.235 13.494 -5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.884 14.060 -7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.475 15.458 -7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.756 15.350 -7.459 1.00 0.00 H new ATOM 915 N LYS A 62 -3.019 13.383 -5.626 1.00 0.00 N ATOM 916 CA LYS A 62 -1.862 12.507 -5.763 1.00 0.00 C ATOM 917 C LYS A 62 -1.172 12.302 -4.418 1.00 0.00 C ATOM 918 O LYS A 62 -0.625 13.242 -3.841 1.00 0.00 O ATOM 919 CB LYS A 62 -0.870 13.091 -6.772 1.00 0.00 C ATOM 920 CG LYS A 62 -1.406 13.138 -8.193 1.00 0.00 C ATOM 921 CD LYS A 62 -0.285 13.047 -9.215 1.00 0.00 C ATOM 922 CE LYS A 62 -0.780 12.481 -10.537 1.00 0.00 C ATOM 923 NZ LYS A 62 -1.299 13.547 -11.437 1.00 0.00 N ATOM 0 H LYS A 62 -2.822 14.272 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.212 11.540 -6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.599 14.100 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.044 12.497 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.107 12.317 -8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.962 14.064 -8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.141 14.037 -9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.514 12.417 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.034 11.952 -11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.567 11.751 -10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.627 13.121 -12.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.092 14.036 -10.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.541 14.230 -11.639 1.00 0.00 H new ATOM 937 N ILE A 63 -1.203 11.068 -3.925 1.00 0.00 N ATOM 938 CA ILE A 63 -0.578 10.741 -2.649 1.00 0.00 C ATOM 939 C ILE A 63 0.224 9.448 -2.746 1.00 0.00 C ATOM 940 O ILE A 63 -0.342 8.359 -2.846 1.00 0.00 O ATOM 941 CB ILE A 63 -1.626 10.599 -1.530 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.707 11.673 -1.673 1.00 0.00 C ATOM 943 CG2 ILE A 63 -0.959 10.689 -0.165 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.269 13.038 -1.190 1.00 0.00 C ATOM 0 H ILE A 63 -1.654 10.279 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 63 0.093 11.565 -2.405 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.099 9.621 -1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.001 11.744 -2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.590 11.365 -1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.713 10.587 0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.224 9.891 -0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.462 11.654 -0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.084 13.749 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.002 12.982 -0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.404 13.367 -1.766 1.00 0.00 H new ATOM 956 N HIS A 64 1.547 9.575 -2.713 1.00 0.00 N ATOM 957 CA HIS A 64 2.429 8.416 -2.795 1.00 0.00 C ATOM 958 C HIS A 64 2.365 7.594 -1.511 1.00 0.00 C ATOM 959 O HIS A 64 2.613 8.107 -0.420 1.00 0.00 O ATOM 960 CB HIS A 64 3.868 8.860 -3.059 1.00 0.00 C ATOM 961 CG HIS A 64 4.016 9.712 -4.282 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.810 9.360 -5.353 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.465 10.907 -4.601 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.742 10.302 -6.277 1.00 0.00 C ATOM 965 NE2 HIS A 64 3.932 11.252 -5.845 1.00 0.00 N ATOM 0 H HIS A 64 2.032 10.469 -2.630 1.00 0.00 H new ATOM 0 HA HIS A 64 2.093 7.792 -3.623 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.233 9.413 -2.194 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.499 7.977 -3.162 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.363 8.506 -5.421 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.785 11.482 -3.990 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.260 10.296 -7.224 1.00 0.00 H new ATOM 973 N VAL A 65 2.031 6.315 -1.649 1.00 0.00 N ATOM 974 CA VAL A 65 1.936 5.421 -0.501 1.00 0.00 C ATOM 975 C VAL A 65 2.566 4.067 -0.804 1.00 0.00 C ATOM 976 O VAL A 65 2.893 3.765 -1.952 1.00 0.00 O ATOM 977 CB VAL A 65 0.471 5.210 -0.074 1.00 0.00 C ATOM 978 CG1 VAL A 65 -0.052 6.433 0.664 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.396 4.897 -1.285 1.00 0.00 C ATOM 0 H VAL A 65 1.822 5.874 -2.545 1.00 0.00 H new ATOM 0 HA VAL A 65 2.480 5.896 0.315 1.00 0.00 H new ATOM 0 HB VAL A 65 0.428 4.359 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.088 6.265 0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.553 6.608 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.003 7.304 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.428 4.751 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.349 5.726 -1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.033 3.989 -1.767 1.00 0.00 H new ATOM 989 N PHE A 66 2.733 3.253 0.233 1.00 0.00 N ATOM 990 CA PHE A 66 3.325 1.929 0.078 1.00 0.00 C ATOM 991 C PHE A 66 2.570 0.895 0.908 1.00 0.00 C ATOM 992 O PHE A 66 2.503 0.996 2.134 1.00 0.00 O ATOM 993 CB PHE A 66 4.798 1.954 0.490 1.00 0.00 C ATOM 994 CG PHE A 66 5.371 0.590 0.750 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.219 -0.015 1.987 1.00 0.00 C ATOM 996 CD2 PHE A 66 6.062 -0.086 -0.242 1.00 0.00 C ATOM 997 CE1 PHE A 66 5.744 -1.271 2.230 1.00 0.00 C ATOM 998 CE2 PHE A 66 6.590 -1.342 -0.005 1.00 0.00 C ATOM 999 CZ PHE A 66 6.432 -1.934 1.233 1.00 0.00 C ATOM 0 H PHE A 66 2.467 3.487 1.190 1.00 0.00 H new ATOM 0 HA PHE A 66 3.254 1.647 -0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.378 2.440 -0.295 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.905 2.562 1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.684 0.500 2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.190 0.373 -1.211 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.616 -1.733 3.198 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.125 -1.860 -0.787 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.846 -2.914 1.421 1.00 0.00 H new ATOM 1009 N TYR A 67 2.003 -0.098 0.233 1.00 0.00 N ATOM 1010 CA TYR A 67 1.250 -1.149 0.906 1.00 0.00 C ATOM 1011 C TYR A 67 2.162 -1.986 1.799 1.00 0.00 C ATOM 1012 O TYR A 67 3.016 -2.727 1.311 1.00 0.00 O ATOM 1013 CB TYR A 67 0.558 -2.048 -0.120 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.496 -1.334 -0.936 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.140 -0.483 -1.975 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.848 -1.512 -0.669 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.100 0.171 -2.723 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.815 -0.863 -1.413 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.435 -0.022 -2.438 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.394 0.627 -3.182 1.00 0.00 O ATOM 0 H TYR A 67 2.051 -0.197 -0.781 1.00 0.00 H new ATOM 0 HA TYR A 67 0.494 -0.675 1.532 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.309 -2.462 -0.793 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.097 -2.889 0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.905 -0.330 -2.202 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.148 -2.169 0.134 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.806 0.830 -3.527 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.862 -1.013 -1.193 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.284 0.382 -2.854 1.00 0.00 H new ATOM 1030 N ILE A 68 1.973 -1.862 3.108 1.00 0.00 N ATOM 1031 CA ILE A 68 2.776 -2.608 4.069 1.00 0.00 C ATOM 1032 C ILE A 68 2.237 -4.021 4.257 1.00 0.00 C ATOM 1033 O ILE A 68 2.548 -4.690 5.243 1.00 0.00 O ATOM 1034 CB ILE A 68 2.818 -1.900 5.436 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.505 -2.121 6.190 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.088 -0.414 5.256 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.506 -1.542 7.588 1.00 0.00 C ATOM 0 H ILE A 68 1.271 -1.252 3.528 1.00 0.00 H new ATOM 0 HA ILE A 68 3.787 -2.659 3.664 1.00 0.00 H new ATOM 0 HB ILE A 68 3.630 -2.328 6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.689 -1.675 5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.305 -3.191 6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.115 0.072 6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.047 -0.276 4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.297 0.029 4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.544 -1.736 8.063 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.300 -2.006 8.173 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.675 -0.466 7.536 1.00 0.00 H new ATOM 1049 N ASP A 69 1.428 -4.471 3.305 1.00 0.00 N ATOM 1050 CA ASP A 69 0.846 -5.808 3.363 1.00 0.00 C ATOM 1051 C ASP A 69 1.410 -6.694 2.257 1.00 0.00 C ATOM 1052 O ASP A 69 1.636 -7.888 2.459 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.676 -5.730 3.245 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.284 -4.752 4.232 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -0.795 -4.685 5.378 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -2.250 -4.054 3.857 1.00 0.00 O ATOM 0 H ASP A 69 1.160 -3.930 2.483 1.00 0.00 H new ATOM 0 HA ASP A 69 1.106 -6.249 4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.944 -5.433 2.231 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.102 -6.720 3.410 1.00 0.00 H new ATOM 1061 N TYR A 70 1.634 -6.103 1.089 1.00 0.00 N ATOM 1062 CA TYR A 70 2.168 -6.840 -0.051 1.00 0.00 C ATOM 1063 C TYR A 70 3.583 -6.377 -0.384 1.00 0.00 C ATOM 1064 O TYR A 70 4.440 -7.179 -0.753 1.00 0.00 O ATOM 1065 CB TYR A 70 1.261 -6.663 -1.269 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.173 -7.075 -1.022 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.007 -6.310 -0.217 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.693 -8.230 -1.594 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.318 -6.683 0.013 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -2.003 -8.610 -1.371 1.00 0.00 C ATOM 1071 CZ TYR A 70 -2.811 -7.833 -0.567 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.116 -8.208 -0.342 1.00 0.00 O ATOM 0 H TYR A 70 1.454 -5.116 0.906 1.00 0.00 H new ATOM 0 HA TYR A 70 2.204 -7.896 0.216 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.282 -5.618 -1.578 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.661 -7.248 -2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.625 -5.408 0.237 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.063 -8.841 -2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.952 -6.077 0.643 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.392 -9.510 -1.824 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.716 -7.477 -0.600 1.00 0.00 H new ATOM 1082 N GLY A 71 3.819 -5.075 -0.252 1.00 0.00 N ATOM 1083 CA GLY A 71 5.131 -4.526 -0.542 1.00 0.00 C ATOM 1084 C GLY A 71 5.183 -3.831 -1.888 1.00 0.00 C ATOM 1085 O GLY A 71 6.136 -4.004 -2.647 1.00 0.00 O ATOM 0 H GLY A 71 3.125 -4.391 0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.406 -3.818 0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.870 -5.327 -0.521 1.00 0.00 H new ATOM 1089 N ASN A 72 4.154 -3.044 -2.187 1.00 0.00 N ATOM 1090 CA ASN A 72 4.086 -2.323 -3.452 1.00 0.00 C ATOM 1091 C ASN A 72 3.830 -0.837 -3.218 1.00 0.00 C ATOM 1092 O ASN A 72 3.531 -0.417 -2.101 1.00 0.00 O ATOM 1093 CB ASN A 72 2.985 -2.908 -4.338 1.00 0.00 C ATOM 1094 CG ASN A 72 3.294 -2.763 -5.816 1.00 0.00 C ATOM 1095 OD1 ASN A 72 4.274 -3.317 -6.314 1.00 0.00 O ATOM 1096 ND2 ASN A 72 2.455 -2.016 -6.525 1.00 0.00 N ATOM 0 H ASN A 72 3.356 -2.890 -1.570 1.00 0.00 H new ATOM 0 HA ASN A 72 5.046 -2.433 -3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.852 -3.963 -4.099 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.041 -2.410 -4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.610 -1.883 -7.524 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.655 -1.576 -6.070 1.00 0.00 H new ATOM 1103 N ARG A 73 3.950 -0.047 -4.280 1.00 0.00 N ATOM 1104 CA ARG A 73 3.733 1.392 -4.190 1.00 0.00 C ATOM 1105 C ARG A 73 2.772 1.865 -5.278 1.00 0.00 C ATOM 1106 O ARG A 73 2.760 1.328 -6.385 1.00 0.00 O ATOM 1107 CB ARG A 73 5.063 2.139 -4.309 1.00 0.00 C ATOM 1108 CG ARG A 73 6.136 1.624 -3.365 1.00 0.00 C ATOM 1109 CD ARG A 73 7.529 1.824 -3.943 1.00 0.00 C ATOM 1110 NE ARG A 73 8.541 1.955 -2.899 1.00 0.00 N ATOM 1111 CZ ARG A 73 9.822 2.206 -3.145 1.00 0.00 C ATOM 1112 NH1 ARG A 73 10.245 2.352 -4.393 1.00 0.00 N ATOM 1113 NH2 ARG A 73 10.684 2.311 -2.141 1.00 0.00 N ATOM 0 H ARG A 73 4.196 -0.379 -5.212 1.00 0.00 H new ATOM 0 HA ARG A 73 3.290 1.608 -3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.424 2.060 -5.334 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.895 3.198 -4.111 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.060 2.142 -2.409 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.971 0.565 -3.168 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.779 0.980 -4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.537 2.716 -4.569 1.00 0.00 H new ATOM 0 HE ARG A 73 8.248 1.848 -1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.586 2.272 -5.167 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.229 2.545 -4.579 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.363 2.199 -1.179 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.667 2.504 -2.331 1.00 0.00 H new ATOM 1127 N GLU A 74 1.969 2.873 -4.952 1.00 0.00 N ATOM 1128 CA GLU A 74 1.005 3.417 -5.901 1.00 0.00 C ATOM 1129 C GLU A 74 0.587 4.830 -5.503 1.00 0.00 C ATOM 1130 O GLU A 74 0.305 5.101 -4.336 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.228 2.514 -5.984 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.215 2.929 -7.063 1.00 0.00 C ATOM 1133 CD GLU A 74 -0.841 2.394 -8.432 1.00 0.00 C ATOM 1134 OE1 GLU A 74 0.173 2.857 -8.994 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -1.563 1.511 -8.941 1.00 0.00 O ATOM 0 H GLU A 74 1.967 3.329 -4.039 1.00 0.00 H new ATOM 0 HA GLU A 74 1.483 3.460 -6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.094 1.490 -6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.735 2.516 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.210 2.572 -6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.267 4.017 -7.104 1.00 0.00 H new ATOM 1142 N VAL A 75 0.552 5.728 -6.483 1.00 0.00 N ATOM 1143 CA VAL A 75 0.169 7.114 -6.236 1.00 0.00 C ATOM 1144 C VAL A 75 -1.344 7.286 -6.306 1.00 0.00 C ATOM 1145 O VAL A 75 -1.918 7.406 -7.389 1.00 0.00 O ATOM 1146 CB VAL A 75 0.830 8.067 -7.249 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.422 9.506 -6.973 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.344 7.917 -7.211 1.00 0.00 C ATOM 0 H VAL A 75 0.784 5.521 -7.454 1.00 0.00 H new ATOM 0 HA VAL A 75 0.515 7.365 -5.233 1.00 0.00 H new ATOM 0 HB VAL A 75 0.486 7.802 -8.249 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.899 10.165 -7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.661 9.599 -7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.735 9.787 -5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.795 8.598 -7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.708 8.155 -6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.614 6.891 -7.461 1.00 0.00 H new ATOM 1158 N LEU A 76 -1.986 7.299 -5.143 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.435 7.458 -5.070 1.00 0.00 C ATOM 1160 C LEU A 76 -3.805 8.768 -4.383 1.00 0.00 C ATOM 1161 O LEU A 76 -3.060 9.296 -3.557 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.060 6.281 -4.319 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.548 4.892 -4.703 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.678 3.932 -3.531 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.301 4.362 -5.915 1.00 0.00 C ATOM 0 H LEU A 76 -1.527 7.201 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.825 7.480 -6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.892 6.426 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.138 6.306 -4.478 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.493 4.974 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.309 2.949 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.093 4.304 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.725 3.854 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.923 3.373 -6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.364 4.295 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.156 5.038 -6.758 1.00 0.00 H new ATOM 1177 N PRO A 77 -4.984 9.306 -4.730 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.481 10.560 -4.156 1.00 0.00 C ATOM 1179 C PRO A 77 -5.869 10.413 -2.688 1.00 0.00 C ATOM 1180 O PRO A 77 -5.862 9.309 -2.143 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.715 10.874 -5.006 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.168 9.551 -5.519 1.00 0.00 C ATOM 1183 CD PRO A 77 -5.922 8.731 -5.708 1.00 0.00 C ATOM 0 HA PRO A 77 -4.724 11.344 -4.172 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.492 11.356 -4.413 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.471 11.553 -5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.848 9.071 -4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.709 9.661 -6.459 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.104 7.673 -5.517 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.540 8.810 -6.726 1.00 0.00 H new ATOM 1191 N SER A 78 -6.206 11.531 -2.055 1.00 0.00 N ATOM 1192 CA SER A 78 -6.594 11.526 -0.649 1.00 0.00 C ATOM 1193 C SER A 78 -8.014 10.997 -0.479 1.00 0.00 C ATOM 1194 O SER A 78 -8.543 10.946 0.632 1.00 0.00 O ATOM 1195 CB SER A 78 -6.490 12.937 -0.065 1.00 0.00 C ATOM 1196 OG SER A 78 -7.445 13.804 -0.652 1.00 0.00 O ATOM 0 H SER A 78 -6.218 12.452 -2.493 1.00 0.00 H new ATOM 0 HA SER A 78 -5.913 10.866 -0.112 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.643 12.900 1.014 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.487 13.330 -0.231 1.00 0.00 H new ATOM 0 HG SER A 78 -7.199 13.978 -1.584 1.00 0.00 H new ATOM 1202 N THR A 79 -8.629 10.602 -1.590 1.00 0.00 N ATOM 1203 CA THR A 79 -9.988 10.077 -1.566 1.00 0.00 C ATOM 1204 C THR A 79 -9.996 8.585 -1.250 1.00 0.00 C ATOM 1205 O THR A 79 -10.839 8.106 -0.491 1.00 0.00 O ATOM 1206 CB THR A 79 -10.704 10.309 -2.910 1.00 0.00 C ATOM 1207 OG1 THR A 79 -9.968 9.690 -3.970 1.00 0.00 O ATOM 1208 CG2 THR A 79 -10.856 11.796 -3.192 1.00 0.00 C ATOM 0 H THR A 79 -8.207 10.636 -2.518 1.00 0.00 H new ATOM 0 HA THR A 79 -10.520 10.615 -0.781 1.00 0.00 H new ATOM 0 HB THR A 79 -11.697 9.863 -2.850 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.431 9.841 -4.821 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.364 11.935 -4.146 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.442 12.259 -2.398 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.871 12.261 -3.234 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.052 7.856 -1.836 1.00 0.00 N ATOM 1217 CA ARG A 80 -8.951 6.418 -1.617 1.00 0.00 C ATOM 1218 C ARG A 80 -8.274 6.118 -0.284 1.00 0.00 C ATOM 1219 O ARG A 80 -8.136 4.958 0.107 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.171 5.761 -2.757 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.246 6.527 -4.068 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.070 5.604 -5.263 1.00 0.00 C ATOM 1223 NE ARG A 80 -8.546 6.215 -6.502 1.00 0.00 N ATOM 1224 CZ ARG A 80 -8.678 5.553 -7.645 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -8.372 4.264 -7.707 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -9.117 6.179 -8.730 1.00 0.00 N ATOM 0 H ARG A 80 -8.346 8.237 -2.466 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.960 6.007 -1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.126 5.664 -2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.553 4.752 -2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.207 7.036 -4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.475 7.297 -4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.017 5.344 -5.368 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.611 4.675 -5.086 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.790 7.205 -6.488 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -8.034 3.779 -6.875 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.474 3.757 -8.586 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.353 7.170 -8.686 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.218 5.669 -9.607 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.853 7.169 0.411 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.189 7.018 1.701 1.00 0.00 C ATOM 1242 C LEU A 81 -8.157 7.295 2.847 1.00 0.00 C ATOM 1243 O LEU A 81 -9.009 8.178 2.754 1.00 0.00 O ATOM 1244 CB LEU A 81 -5.989 7.962 1.792 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.868 7.723 0.780 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.822 8.823 0.873 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.232 6.359 1.002 1.00 0.00 C ATOM 0 H LEU A 81 -7.960 8.135 0.103 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.841 5.989 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.347 8.985 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.568 7.887 2.795 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.298 7.743 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.032 8.636 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.287 9.786 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.396 8.836 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.436 6.206 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.816 6.311 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.987 5.582 0.884 1.00 0.00 H new ATOM 1259 N GLY A 82 -8.018 6.536 3.929 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.885 6.716 5.079 1.00 0.00 C ATOM 1261 C GLY A 82 -8.181 6.421 6.388 1.00 0.00 C ATOM 1262 O GLY A 82 -7.045 5.948 6.398 1.00 0.00 O ATOM 0 H GLY A 82 -7.320 5.799 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.257 7.741 5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.753 6.063 4.982 1.00 0.00 H new ATOM 1266 N THR A 83 -8.856 6.704 7.498 1.00 0.00 N ATOM 1267 CA THR A 83 -8.288 6.469 8.819 1.00 0.00 C ATOM 1268 C THR A 83 -8.197 4.977 9.122 1.00 0.00 C ATOM 1269 O THR A 83 -9.215 4.299 9.264 1.00 0.00 O ATOM 1270 CB THR A 83 -9.120 7.154 9.919 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.654 8.390 9.431 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.273 7.414 11.156 1.00 0.00 C ATOM 0 H THR A 83 -9.797 7.097 7.508 1.00 0.00 H new ATOM 0 HA THR A 83 -7.286 6.897 8.812 1.00 0.00 H new ATOM 0 HB THR A 83 -9.938 6.488 10.193 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.183 8.819 10.136 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.882 7.898 11.919 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.893 6.468 11.542 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.436 8.062 10.895 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.972 4.472 9.219 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.748 3.059 9.505 1.00 0.00 C ATOM 1282 C LEU A 84 -7.110 2.733 10.951 1.00 0.00 C ATOM 1283 O LEU A 84 -6.406 3.125 11.881 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.288 2.689 9.237 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.829 1.334 9.776 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.694 0.216 9.215 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.364 1.096 9.443 1.00 0.00 C ATOM 0 H LEU A 84 -6.119 5.019 9.104 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.391 2.474 8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.122 2.704 8.160 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.653 3.463 9.668 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.938 1.340 10.861 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.353 -0.741 9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.732 0.379 9.505 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.618 0.208 8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.055 0.127 9.834 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.230 1.110 8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.756 1.880 9.894 1.00 0.00 H new ATOM 1299 N SER A 85 -8.211 2.010 11.131 1.00 0.00 N ATOM 1300 CA SER A 85 -8.667 1.632 12.463 1.00 0.00 C ATOM 1301 C SER A 85 -7.542 0.976 13.257 1.00 0.00 C ATOM 1302 O SER A 85 -6.702 0.258 12.715 1.00 0.00 O ATOM 1303 CB SER A 85 -9.860 0.679 12.366 1.00 0.00 C ATOM 1304 OG SER A 85 -10.242 0.207 13.646 1.00 0.00 O ATOM 0 H SER A 85 -8.803 1.675 10.371 1.00 0.00 H new ATOM 0 HA SER A 85 -8.976 2.538 12.984 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.701 1.191 11.898 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.604 -0.165 11.725 1.00 0.00 H new ATOM 0 HG SER A 85 -11.007 -0.399 13.556 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.523 1.229 14.574 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.507 0.673 15.473 1.00 0.00 C ATOM 1312 C PRO A 86 -6.663 -0.832 15.664 1.00 0.00 C ATOM 1313 O PRO A 86 -5.688 -1.539 15.919 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.758 1.409 16.791 1.00 0.00 C ATOM 1315 CG PRO A 86 -8.193 1.805 16.737 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.493 2.077 15.288 1.00 0.00 C ATOM 0 HA PRO A 86 -5.499 0.806 15.081 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.557 0.766 17.648 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.110 2.280 16.887 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.832 1.012 17.126 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.377 2.690 17.346 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.520 1.814 15.034 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.363 3.131 15.042 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.895 -1.314 15.540 1.00 0.00 N ATOM 1325 CA ALA A 87 -8.178 -2.736 15.697 1.00 0.00 C ATOM 1326 C ALA A 87 -7.561 -3.547 14.562 1.00 0.00 C ATOM 1327 O ALA A 87 -7.202 -4.711 14.741 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.679 -2.971 15.761 1.00 0.00 C ATOM 0 H ALA A 87 -8.713 -0.741 15.331 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.729 -3.070 16.633 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.876 -4.037 15.878 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.096 -2.429 16.610 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.142 -2.616 14.841 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.441 -2.925 13.394 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.869 -3.590 12.229 1.00 0.00 C ATOM 1336 C PHE A 88 -5.472 -3.055 11.928 1.00 0.00 C ATOM 1337 O PHE A 88 -4.732 -3.634 11.133 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.774 -3.399 11.010 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.233 -3.589 11.312 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.678 -4.734 11.953 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.160 -2.623 10.954 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -11.020 -4.913 12.232 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.503 -2.796 11.230 1.00 0.00 C ATOM 1344 CZ PHE A 88 -11.934 -3.943 11.869 1.00 0.00 C ATOM 0 H PHE A 88 -7.732 -1.961 13.229 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.791 -4.654 12.452 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.622 -2.398 10.608 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.477 -4.103 10.233 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.968 -5.496 12.238 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.829 -1.725 10.454 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.353 -5.810 12.733 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.215 -2.035 10.946 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.983 -4.081 12.084 1.00 0.00 H new ATOM 1354 N SER A 89 -5.120 -1.945 12.569 1.00 0.00 N ATOM 1355 CA SER A 89 -3.814 -1.328 12.367 1.00 0.00 C ATOM 1356 C SER A 89 -2.697 -2.356 12.523 1.00 0.00 C ATOM 1357 O SER A 89 -2.777 -3.255 13.361 1.00 0.00 O ATOM 1358 CB SER A 89 -3.610 -0.181 13.360 1.00 0.00 C ATOM 1359 OG SER A 89 -4.377 0.952 12.994 1.00 0.00 O ATOM 0 H SER A 89 -5.720 -1.455 13.232 1.00 0.00 H new ATOM 0 HA SER A 89 -3.780 -0.932 11.352 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.893 -0.508 14.361 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.554 0.088 13.399 1.00 0.00 H new ATOM 0 HG SER A 89 -5.274 0.666 12.722 1.00 0.00 H new ATOM 1365 N THR A 90 -1.655 -2.216 11.710 1.00 0.00 N ATOM 1366 CA THR A 90 -0.522 -3.132 11.755 1.00 0.00 C ATOM 1367 C THR A 90 0.011 -3.276 13.175 1.00 0.00 C ATOM 1368 O THR A 90 0.745 -4.216 13.480 1.00 0.00 O ATOM 1369 CB THR A 90 0.619 -2.659 10.835 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.668 -3.634 10.815 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.173 -1.321 11.304 1.00 0.00 C ATOM 0 H THR A 90 -1.572 -1.477 11.012 1.00 0.00 H new ATOM 0 HA THR A 90 -0.883 -4.099 11.406 1.00 0.00 H new ATOM 0 HB THR A 90 0.218 -2.536 9.829 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.570 -4.236 11.582 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.978 -1.007 10.639 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.379 -0.574 11.291 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.559 -1.423 12.318 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.362 -2.340 14.041 1.00 0.00 N ATOM 1380 CA ARG A 91 0.080 -2.363 15.430 1.00 0.00 C ATOM 1381 C ARG A 91 -0.145 -3.739 16.049 1.00 0.00 C ATOM 1382 O ARG A 91 0.524 -4.116 17.012 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.662 -1.300 16.242 1.00 0.00 C ATOM 1384 CG ARG A 91 -0.176 0.116 15.979 1.00 0.00 C ATOM 1385 CD ARG A 91 -0.460 1.031 17.160 1.00 0.00 C ATOM 1386 NE ARG A 91 -0.586 2.428 16.753 1.00 0.00 N ATOM 1387 CZ ARG A 91 0.447 3.190 16.412 1.00 0.00 C ATOM 1388 NH1 ARG A 91 1.676 2.694 16.430 1.00 0.00 N ATOM 1389 NH2 ARG A 91 0.251 4.453 16.053 1.00 0.00 N ATOM 0 H ARG A 91 -0.970 -1.556 13.805 1.00 0.00 H new ATOM 0 HA ARG A 91 1.148 -2.145 15.448 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.726 -1.358 16.014 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.551 -1.522 17.303 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.895 0.103 15.777 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.664 0.509 15.087 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.379 0.713 17.652 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.342 0.938 17.892 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.518 2.841 16.729 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.831 1.724 16.706 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.467 3.282 16.168 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.693 4.839 16.039 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.045 5.038 15.791 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.091 -4.487 15.490 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.404 -5.822 15.986 1.00 0.00 C ATOM 1405 C VAL A 92 -0.721 -6.894 15.146 1.00 0.00 C ATOM 1406 O VAL A 92 -0.259 -7.909 15.670 1.00 0.00 O ATOM 1407 CB VAL A 92 -2.923 -6.077 15.988 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.268 -7.237 16.911 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.674 -4.819 16.397 1.00 0.00 C ATOM 0 H VAL A 92 -1.654 -4.191 14.693 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.032 -5.875 17.009 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.231 -6.344 14.977 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.345 -7.403 16.900 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.759 -8.138 16.569 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.948 -7.002 17.926 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.746 -5.018 16.393 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.364 -4.520 17.398 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.451 -4.017 15.693 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.659 -6.664 13.839 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.030 -7.611 12.924 1.00 0.00 C ATOM 1421 C LEU A 93 1.134 -6.962 12.183 1.00 0.00 C ATOM 1422 O LEU A 93 1.053 -5.821 11.726 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.057 -8.139 11.921 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.682 -9.432 11.195 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.674 -10.605 12.163 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.642 -9.695 10.044 1.00 0.00 C ATOM 0 H LEU A 93 -1.036 -5.830 13.389 1.00 0.00 H new ATOM 0 HA LEU A 93 0.357 -8.444 13.512 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.998 -8.300 12.446 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.237 -7.366 11.174 1.00 0.00 H new ATOM 0 HG LEU A 93 0.322 -9.318 10.786 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.405 -11.516 11.628 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.054 -10.420 12.953 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.665 -10.721 12.602 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.360 -10.619 9.539 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.657 -9.788 10.431 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.598 -8.867 9.337 1.00 0.00 H new ATOM 1438 N PRO A 94 2.245 -7.704 12.059 1.00 0.00 N ATOM 1439 CA PRO A 94 3.446 -7.221 11.371 1.00 0.00 C ATOM 1440 C PRO A 94 3.242 -7.098 9.865 1.00 0.00 C ATOM 1441 O PRO A 94 2.581 -7.932 9.248 1.00 0.00 O ATOM 1442 CB PRO A 94 4.489 -8.297 11.683 1.00 0.00 C ATOM 1443 CG PRO A 94 3.695 -9.531 11.943 1.00 0.00 C ATOM 1444 CD PRO A 94 2.412 -9.071 12.579 1.00 0.00 C ATOM 0 HA PRO A 94 3.731 -6.222 11.701 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.176 -8.437 10.848 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.092 -8.024 12.549 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.500 -10.072 11.017 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.235 -10.211 12.602 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.574 -9.711 12.303 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.476 -9.082 13.667 1.00 0.00 H new ATOM 1452 N ALA A 95 3.814 -6.051 9.279 1.00 0.00 N ATOM 1453 CA ALA A 95 3.696 -5.820 7.845 1.00 0.00 C ATOM 1454 C ALA A 95 4.292 -6.978 7.051 1.00 0.00 C ATOM 1455 O ALA A 95 5.473 -7.295 7.192 1.00 0.00 O ATOM 1456 CB ALA A 95 4.375 -4.512 7.463 1.00 0.00 C ATOM 0 H ALA A 95 4.364 -5.350 9.776 1.00 0.00 H new ATOM 0 HA ALA A 95 2.636 -5.752 7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.279 -4.352 6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.902 -3.687 7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.431 -4.559 7.730 1.00 0.00 H new ATOM 1462 N GLN A 96 3.467 -7.606 6.220 1.00 0.00 N ATOM 1463 CA GLN A 96 3.914 -8.730 5.405 1.00 0.00 C ATOM 1464 C GLN A 96 4.525 -8.244 4.095 1.00 0.00 C ATOM 1465 O GLN A 96 4.996 -9.042 3.286 1.00 0.00 O ATOM 1466 CB GLN A 96 2.745 -9.675 5.118 1.00 0.00 C ATOM 1467 CG GLN A 96 2.045 -10.175 6.371 1.00 0.00 C ATOM 1468 CD GLN A 96 2.978 -10.928 7.299 1.00 0.00 C ATOM 1469 OE1 GLN A 96 3.742 -11.790 6.864 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.920 -10.606 8.586 1.00 0.00 N ATOM 0 H GLN A 96 2.486 -7.356 6.093 1.00 0.00 H new ATOM 0 HA GLN A 96 4.680 -9.269 5.963 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.020 -9.161 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.111 -10.531 4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.614 -9.328 6.904 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.219 -10.826 6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.272 -9.885 8.903 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.524 -11.080 9.258 1.00 0.00 H new ATOM 1479 N ALA A 97 4.512 -6.931 3.893 1.00 0.00 N ATOM 1480 CA ALA A 97 5.066 -6.339 2.681 1.00 0.00 C ATOM 1481 C ALA A 97 6.531 -6.724 2.503 1.00 0.00 C ATOM 1482 O ALA A 97 7.290 -6.786 3.470 1.00 0.00 O ATOM 1483 CB ALA A 97 4.917 -4.825 2.718 1.00 0.00 C ATOM 0 H ALA A 97 4.124 -6.257 4.553 1.00 0.00 H new ATOM 0 HA ALA A 97 4.509 -6.727 1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.335 -4.396 1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.861 -4.565 2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.449 -4.428 3.583 1.00 0.00 H new