USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 148:sc= -1.84! (180deg=-4.32!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.3) USER MOD Single : A 28 THR OG1 : rot -127:sc= 0.241 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= -1.11 (180deg=-1.95) USER MOD Single : A 36 GLN : amide:sc= -0.0799 X(o=-0.08,f=-0.042) USER MOD Single : A 40 ASN : amide:sc= -0.0115 K(o=-0.012,f=-0.93) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.551 F(o=-1.6,f=-0.55) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= -0.0557 (180deg=-0.382) USER MOD Single : A 49 MET CE :methyl 155:sc= -2.28! (180deg=-2.49!) USER MOD Single : A 52 LYS NZ :NH3+ -159:sc= -0.152 (180deg=-0.581) USER MOD Single : A 62 SER OG : rot -21:sc= 0.439 USER MOD Single : A 63 THR OG1 : rot -170:sc= -0.322 USER MOD Single : A 66 LYS NZ :NH3+ 149:sc= -1.55 (180deg=-3.52!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.734 X(o=-0.73,f=-0.38) USER MOD Single : A 74 ASN : amide:sc= -1.69 K(o=-1.7,f=-6.5!) USER MOD Single : A 75 SER OG : rot 180:sc=-0.00555 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 28:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 7.079 -4.838 17.393 1.00 0.00 N ATOM 67 CA ARG A 8 8.226 -4.518 16.551 1.00 0.00 C ATOM 68 C ARG A 8 7.779 -3.852 15.253 1.00 0.00 C ATOM 69 O ARG A 8 6.640 -4.017 14.819 1.00 0.00 O ATOM 70 CB ARG A 8 9.024 -5.785 16.238 1.00 0.00 C ATOM 71 CG ARG A 8 8.247 -6.811 15.430 1.00 0.00 C ATOM 72 CD ARG A 8 9.102 -8.024 15.098 1.00 0.00 C ATOM 73 NE ARG A 8 9.055 -9.031 16.154 1.00 0.00 N ATOM 74 CZ ARG A 8 9.844 -9.014 17.222 1.00 0.00 C ATOM 75 NH1 ARG A 8 10.737 -8.046 17.376 1.00 0.00 N ATOM 76 NH2 ARG A 8 9.741 -9.967 18.140 1.00 0.00 N ATOM 0 HA ARG A 8 8.862 -3.821 17.096 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.925 -5.510 15.690 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.347 -6.241 17.174 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.368 -7.127 15.991 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.889 -6.354 14.508 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.759 -8.464 14.162 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.134 -7.709 14.943 1.00 0.00 H new ATOM 0 HE ARG A 8 8.379 -9.790 16.067 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.819 -7.312 16.673 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.342 -8.036 18.197 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.055 -10.713 18.026 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.348 -9.953 18.960 1.00 0.00 H new ATOM 90 N MET A 9 8.685 -3.097 14.639 1.00 0.00 N ATOM 91 CA MET A 9 8.384 -2.406 13.391 1.00 0.00 C ATOM 92 C MET A 9 8.644 -3.313 12.192 1.00 0.00 C ATOM 93 O MET A 9 9.604 -4.085 12.180 1.00 0.00 O ATOM 94 CB MET A 9 9.224 -1.133 13.273 1.00 0.00 C ATOM 95 CG MET A 9 9.072 -0.193 14.458 1.00 0.00 C ATOM 96 SD MET A 9 7.692 0.951 14.265 1.00 0.00 S ATOM 97 CE MET A 9 6.301 -0.165 14.426 1.00 0.00 C ATOM 0 H MET A 9 9.633 -2.949 14.986 1.00 0.00 H new ATOM 0 HA MET A 9 7.328 -2.137 13.399 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.274 -1.408 13.170 1.00 0.00 H new ATOM 0 HB3 MET A 9 8.942 -0.605 12.362 1.00 0.00 H new ATOM 0 HG2 MET A 9 8.929 -0.779 15.366 1.00 0.00 H new ATOM 0 HG3 MET A 9 9.994 0.374 14.587 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.464 0.360 14.886 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.006 -0.523 13.440 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.585 -1.012 15.050 1.00 0.00 H new ATOM 107 N LEU A 10 7.783 -3.215 11.185 1.00 0.00 N ATOM 108 CA LEU A 10 7.919 -4.027 9.980 1.00 0.00 C ATOM 109 C LEU A 10 8.219 -3.153 8.766 1.00 0.00 C ATOM 110 O LEU A 10 7.404 -2.318 8.374 1.00 0.00 O ATOM 111 CB LEU A 10 6.643 -4.834 9.739 1.00 0.00 C ATOM 112 CG LEU A 10 6.331 -5.920 10.769 1.00 0.00 C ATOM 113 CD1 LEU A 10 5.003 -6.591 10.453 1.00 0.00 C ATOM 114 CD2 LEU A 10 7.451 -6.949 10.816 1.00 0.00 C ATOM 0 H LEU A 10 6.983 -2.582 11.179 1.00 0.00 H new ATOM 0 HA LEU A 10 8.753 -4.713 10.126 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.801 -4.143 9.703 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.713 -5.302 8.757 1.00 0.00 H new ATOM 0 HG LEU A 10 6.254 -5.451 11.750 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.798 -7.361 11.197 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.206 -5.847 10.471 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.052 -7.046 9.464 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.211 -7.714 11.555 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.560 -7.413 9.836 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.385 -6.458 11.092 1.00 0.00 H new ATOM 126 N ASP A 11 9.391 -3.354 8.175 1.00 0.00 N ATOM 127 CA ASP A 11 9.798 -2.587 7.003 1.00 0.00 C ATOM 128 C ASP A 11 9.103 -3.105 5.747 1.00 0.00 C ATOM 129 O ASP A 11 9.379 -4.212 5.284 1.00 0.00 O ATOM 130 CB ASP A 11 11.316 -2.653 6.825 1.00 0.00 C ATOM 131 CG ASP A 11 11.805 -1.770 5.694 1.00 0.00 C ATOM 132 OD1 ASP A 11 11.310 -1.933 4.559 1.00 0.00 O ATOM 133 OD2 ASP A 11 12.683 -0.918 5.943 1.00 0.00 O ATOM 0 H ASP A 11 10.076 -4.042 8.488 1.00 0.00 H new ATOM 0 HA ASP A 11 9.503 -1.549 7.158 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.801 -2.351 7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.612 -3.684 6.631 1.00 0.00 H new ATOM 138 N PHE A 12 8.200 -2.297 5.201 1.00 0.00 N ATOM 139 CA PHE A 12 7.464 -2.674 4.000 1.00 0.00 C ATOM 140 C PHE A 12 7.828 -1.764 2.831 1.00 0.00 C ATOM 141 O PHE A 12 7.407 -0.609 2.775 1.00 0.00 O ATOM 142 CB PHE A 12 5.957 -2.612 4.259 1.00 0.00 C ATOM 143 CG PHE A 12 5.431 -3.794 5.022 1.00 0.00 C ATOM 144 CD1 PHE A 12 5.239 -5.013 4.392 1.00 0.00 C ATOM 145 CD2 PHE A 12 5.127 -3.686 6.370 1.00 0.00 C ATOM 146 CE1 PHE A 12 4.755 -6.102 5.091 1.00 0.00 C ATOM 147 CE2 PHE A 12 4.643 -4.772 7.074 1.00 0.00 C ATOM 148 CZ PHE A 12 4.456 -5.982 6.434 1.00 0.00 C ATOM 0 H PHE A 12 7.960 -1.377 5.571 1.00 0.00 H new ATOM 0 HA PHE A 12 7.740 -3.696 3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.729 -1.701 4.813 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.435 -2.544 3.305 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.470 -5.113 3.342 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.270 -2.743 6.876 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.611 -7.046 4.588 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.411 -4.675 8.124 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.077 -6.832 6.982 1.00 0.00 H new ATOM 158 N ARG A 13 8.615 -2.294 1.900 1.00 0.00 N ATOM 159 CA ARG A 13 9.038 -1.530 0.732 1.00 0.00 C ATOM 160 C ARG A 13 8.056 -1.711 -0.422 1.00 0.00 C ATOM 161 O ARG A 13 8.057 -2.742 -1.095 1.00 0.00 O ATOM 162 CB ARG A 13 10.440 -1.960 0.296 1.00 0.00 C ATOM 163 CG ARG A 13 10.935 -1.246 -0.952 1.00 0.00 C ATOM 164 CD ARG A 13 11.885 -2.121 -1.754 1.00 0.00 C ATOM 165 NE ARG A 13 13.129 -2.380 -1.034 1.00 0.00 N ATOM 166 CZ ARG A 13 14.144 -3.069 -1.545 1.00 0.00 C ATOM 167 NH1 ARG A 13 14.062 -3.565 -2.772 1.00 0.00 N ATOM 168 NH2 ARG A 13 15.243 -3.263 -0.828 1.00 0.00 N ATOM 0 H ARG A 13 8.972 -3.249 1.932 1.00 0.00 H new ATOM 0 HA ARG A 13 9.058 -0.475 1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.138 -1.774 1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.441 -3.035 0.114 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.085 -0.965 -1.574 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.441 -0.323 -0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.397 -3.067 -1.987 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.110 -1.636 -2.704 1.00 0.00 H new ATOM 0 HE ARG A 13 13.224 -2.012 -0.087 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.218 -3.418 -3.326 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.843 -4.093 -3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.309 -2.883 0.116 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.022 -3.792 -1.221 1.00 0.00 H new ATOM 182 N VAL A 14 7.219 -0.703 -0.644 1.00 0.00 N ATOM 183 CA VAL A 14 6.232 -0.751 -1.716 1.00 0.00 C ATOM 184 C VAL A 14 6.800 -0.181 -3.012 1.00 0.00 C ATOM 185 O VAL A 14 7.157 0.994 -3.080 1.00 0.00 O ATOM 186 CB VAL A 14 4.958 0.028 -1.341 1.00 0.00 C ATOM 187 CG1 VAL A 14 3.922 -0.076 -2.450 1.00 0.00 C ATOM 188 CG2 VAL A 14 4.393 -0.478 -0.023 1.00 0.00 C ATOM 0 H VAL A 14 7.205 0.157 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 14 5.977 -1.800 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 14 5.219 1.079 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.029 0.481 -2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.332 0.339 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.662 -1.123 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.493 0.084 0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.147 -1.536 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.134 -0.345 0.765 1.00 0.00 H new ATOM 198 N GLU A 15 6.880 -1.024 -4.037 1.00 0.00 N ATOM 199 CA GLU A 15 7.405 -0.603 -5.331 1.00 0.00 C ATOM 200 C GLU A 15 6.283 -0.110 -6.239 1.00 0.00 C ATOM 201 O GLU A 15 5.449 -0.893 -6.696 1.00 0.00 O ATOM 202 CB GLU A 15 8.150 -1.758 -6.003 1.00 0.00 C ATOM 203 CG GLU A 15 8.950 -1.337 -7.225 1.00 0.00 C ATOM 204 CD GLU A 15 9.157 -2.475 -8.207 1.00 0.00 C ATOM 205 OE1 GLU A 15 8.217 -2.780 -8.969 1.00 0.00 O ATOM 206 OE2 GLU A 15 10.261 -3.058 -8.212 1.00 0.00 O ATOM 0 H GLU A 15 6.589 -2.001 -3.997 1.00 0.00 H new ATOM 0 HA GLU A 15 8.100 0.220 -5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.823 -2.216 -5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.430 -2.522 -6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.435 -0.518 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.920 -0.956 -6.906 1.00 0.00 H new ATOM 213 N TYR A 16 6.268 1.193 -6.497 1.00 0.00 N ATOM 214 CA TYR A 16 5.247 1.793 -7.348 1.00 0.00 C ATOM 215 C TYR A 16 5.881 2.508 -8.537 1.00 0.00 C ATOM 216 O TYR A 16 7.025 2.957 -8.469 1.00 0.00 O ATOM 217 CB TYR A 16 4.395 2.775 -6.543 1.00 0.00 C ATOM 218 CG TYR A 16 3.431 3.575 -7.390 1.00 0.00 C ATOM 219 CD1 TYR A 16 2.348 2.965 -8.010 1.00 0.00 C ATOM 220 CD2 TYR A 16 3.603 4.942 -7.569 1.00 0.00 C ATOM 221 CE1 TYR A 16 1.466 3.692 -8.785 1.00 0.00 C ATOM 222 CE2 TYR A 16 2.725 5.678 -8.341 1.00 0.00 C ATOM 223 CZ TYR A 16 1.658 5.048 -8.947 1.00 0.00 C ATOM 224 OH TYR A 16 0.780 5.776 -9.717 1.00 0.00 O ATOM 0 H TYR A 16 6.952 1.854 -6.129 1.00 0.00 H new ATOM 0 HA TYR A 16 4.609 0.994 -7.726 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.832 2.223 -5.790 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.053 3.461 -6.009 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.193 1.904 -7.884 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.438 5.438 -7.096 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.630 3.201 -9.262 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.873 6.740 -8.469 1.00 0.00 H new ATOM 0 HH TYR A 16 1.056 6.716 -9.728 1.00 0.00 H new ATOM 234 N ARG A 17 5.128 2.610 -9.628 1.00 0.00 N ATOM 235 CA ARG A 17 5.614 3.270 -10.833 1.00 0.00 C ATOM 236 C ARG A 17 6.522 4.444 -10.482 1.00 0.00 C ATOM 237 O ARG A 17 7.709 4.443 -10.807 1.00 0.00 O ATOM 238 CB ARG A 17 4.439 3.756 -11.684 1.00 0.00 C ATOM 239 CG ARG A 17 3.710 2.639 -12.412 1.00 0.00 C ATOM 240 CD ARG A 17 2.645 2.002 -11.532 1.00 0.00 C ATOM 241 NE ARG A 17 1.596 1.361 -12.320 1.00 0.00 N ATOM 242 CZ ARG A 17 1.761 0.212 -12.966 1.00 0.00 C ATOM 243 NH1 ARG A 17 2.926 -0.418 -12.918 1.00 0.00 N ATOM 244 NH2 ARG A 17 0.758 -0.308 -13.662 1.00 0.00 N ATOM 0 H ARG A 17 4.179 2.244 -9.701 1.00 0.00 H new ATOM 0 HA ARG A 17 6.192 2.545 -11.405 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.732 4.283 -11.044 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.805 4.476 -12.416 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.248 3.034 -13.317 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.426 1.880 -12.726 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.109 1.264 -10.878 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.202 2.763 -10.890 1.00 0.00 H new ATOM 0 HE ARG A 17 0.687 1.820 -12.378 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.699 -0.021 -12.384 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.050 -1.300 -13.415 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.140 0.175 -13.701 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.885 -1.190 -14.158 1.00 0.00 H new ATOM 258 N ASP A 18 5.956 5.445 -9.816 1.00 0.00 N ATOM 259 CA ASP A 18 6.714 6.626 -9.419 1.00 0.00 C ATOM 260 C ASP A 18 8.057 6.231 -8.814 1.00 0.00 C ATOM 261 O ASP A 18 9.113 6.602 -9.327 1.00 0.00 O ATOM 262 CB ASP A 18 5.913 7.459 -8.417 1.00 0.00 C ATOM 263 CG ASP A 18 6.300 8.924 -8.443 1.00 0.00 C ATOM 264 OD1 ASP A 18 7.467 9.225 -8.772 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.436 9.771 -8.135 1.00 0.00 O ATOM 0 H ASP A 18 4.974 5.462 -9.540 1.00 0.00 H new ATOM 0 HA ASP A 18 6.900 7.225 -10.310 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.850 7.363 -8.637 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.068 7.063 -7.413 1.00 0.00 H new ATOM 270 N ARG A 19 8.009 5.478 -7.720 1.00 0.00 N ATOM 271 CA ARG A 19 9.222 5.035 -7.043 1.00 0.00 C ATOM 272 C ARG A 19 8.889 4.084 -5.897 1.00 0.00 C ATOM 273 O ARG A 19 7.722 3.787 -5.643 1.00 0.00 O ATOM 274 CB ARG A 19 10.002 6.238 -6.511 1.00 0.00 C ATOM 275 CG ARG A 19 9.333 6.926 -5.332 1.00 0.00 C ATOM 276 CD ARG A 19 10.113 8.153 -4.887 1.00 0.00 C ATOM 277 NE ARG A 19 11.266 7.800 -4.064 1.00 0.00 N ATOM 278 CZ ARG A 19 12.202 8.669 -3.698 1.00 0.00 C ATOM 279 NH1 ARG A 19 12.120 9.936 -4.080 1.00 0.00 N ATOM 280 NH2 ARG A 19 13.222 8.271 -2.949 1.00 0.00 N ATOM 0 H ARG A 19 7.143 5.162 -7.283 1.00 0.00 H new ATOM 0 HA ARG A 19 9.838 4.502 -7.767 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.998 5.911 -6.212 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.132 6.961 -7.316 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.319 7.218 -5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.249 6.226 -4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.449 8.706 -5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.456 8.816 -4.325 1.00 0.00 H new ATOM 0 HE ARG A 19 11.358 6.833 -3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.337 10.245 -4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.840 10.601 -3.798 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.288 7.297 -2.654 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.940 8.939 -2.669 1.00 0.00 H new ATOM 294 N ASN A 20 9.922 3.610 -5.209 1.00 0.00 N ATOM 295 CA ASN A 20 9.739 2.692 -4.091 1.00 0.00 C ATOM 296 C ASN A 20 9.713 3.447 -2.765 1.00 0.00 C ATOM 297 O ASN A 20 10.663 4.149 -2.419 1.00 0.00 O ATOM 298 CB ASN A 20 10.857 1.648 -4.073 1.00 0.00 C ATOM 299 CG ASN A 20 12.205 2.238 -4.440 1.00 0.00 C ATOM 300 OD1 ASN A 20 12.957 2.685 -3.573 1.00 0.00 O ATOM 301 ND2 ASN A 20 12.518 2.242 -5.731 1.00 0.00 N ATOM 0 H ASN A 20 10.895 3.846 -5.406 1.00 0.00 H new ATOM 0 HA ASN A 20 8.781 2.188 -4.221 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.917 1.201 -3.081 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.613 0.846 -4.770 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.412 2.626 -6.038 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.865 1.861 -6.415 1.00 0.00 H new ATOM 308 N VAL A 21 8.618 3.297 -2.027 1.00 0.00 N ATOM 309 CA VAL A 21 8.467 3.963 -0.739 1.00 0.00 C ATOM 310 C VAL A 21 8.549 2.964 0.410 1.00 0.00 C ATOM 311 O VAL A 21 8.188 1.797 0.257 1.00 0.00 O ATOM 312 CB VAL A 21 7.129 4.720 -0.651 1.00 0.00 C ATOM 313 CG1 VAL A 21 5.963 3.744 -0.635 1.00 0.00 C ATOM 314 CG2 VAL A 21 7.103 5.615 0.579 1.00 0.00 C ATOM 0 H VAL A 21 7.822 2.720 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 21 9.286 4.677 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 21 7.030 5.352 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.026 4.297 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.973 3.150 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.053 3.084 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.150 6.142 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.224 5.006 1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.916 6.339 0.519 1.00 0.00 H new ATOM 324 N ASP A 22 9.026 3.430 1.559 1.00 0.00 N ATOM 325 CA ASP A 22 9.154 2.577 2.735 1.00 0.00 C ATOM 326 C ASP A 22 8.001 2.812 3.705 1.00 0.00 C ATOM 327 O ASP A 22 7.526 3.937 3.860 1.00 0.00 O ATOM 328 CB ASP A 22 10.488 2.837 3.436 1.00 0.00 C ATOM 329 CG ASP A 22 10.862 1.726 4.398 1.00 0.00 C ATOM 330 OD1 ASP A 22 9.949 1.157 5.031 1.00 0.00 O ATOM 331 OD2 ASP A 22 12.069 1.427 4.520 1.00 0.00 O ATOM 0 H ASP A 22 9.330 4.393 1.701 1.00 0.00 H new ATOM 0 HA ASP A 22 9.121 1.538 2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.273 2.946 2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.432 3.781 3.979 1.00 0.00 H new ATOM 336 N VAL A 23 7.554 1.743 4.356 1.00 0.00 N ATOM 337 CA VAL A 23 6.456 1.833 5.311 1.00 0.00 C ATOM 338 C VAL A 23 6.782 1.079 6.596 1.00 0.00 C ATOM 339 O VAL A 23 7.378 0.002 6.562 1.00 0.00 O ATOM 340 CB VAL A 23 5.149 1.273 4.719 1.00 0.00 C ATOM 341 CG1 VAL A 23 4.008 1.415 5.714 1.00 0.00 C ATOM 342 CG2 VAL A 23 4.816 1.973 3.410 1.00 0.00 C ATOM 0 H VAL A 23 7.935 0.804 4.239 1.00 0.00 H new ATOM 0 HA VAL A 23 6.320 2.891 5.537 1.00 0.00 H new ATOM 0 HB VAL A 23 5.289 0.212 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.093 1.014 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.248 0.865 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.864 2.468 5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.890 1.566 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.695 3.041 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.625 1.814 2.697 1.00 0.00 H new ATOM 352 N VAL A 24 6.387 1.652 7.728 1.00 0.00 N ATOM 353 CA VAL A 24 6.636 1.033 9.025 1.00 0.00 C ATOM 354 C VAL A 24 5.374 1.024 9.881 1.00 0.00 C ATOM 355 O VAL A 24 4.843 2.078 10.235 1.00 0.00 O ATOM 356 CB VAL A 24 7.756 1.764 9.789 1.00 0.00 C ATOM 357 CG1 VAL A 24 7.719 1.401 11.266 1.00 0.00 C ATOM 358 CG2 VAL A 24 9.113 1.437 9.186 1.00 0.00 C ATOM 0 H VAL A 24 5.893 2.543 7.774 1.00 0.00 H new ATOM 0 HA VAL A 24 6.948 0.007 8.832 1.00 0.00 H new ATOM 0 HB VAL A 24 7.593 2.838 9.698 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.517 1.927 11.790 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.756 1.690 11.688 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.857 0.326 11.380 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.893 1.962 9.738 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.288 0.363 9.244 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.133 1.752 8.143 1.00 0.00 H new ATOM 368 N LEU A 25 4.898 -0.171 10.210 1.00 0.00 N ATOM 369 CA LEU A 25 3.697 -0.318 11.025 1.00 0.00 C ATOM 370 C LEU A 25 3.751 -1.603 11.847 1.00 0.00 C ATOM 371 O LEU A 25 4.219 -2.636 11.370 1.00 0.00 O ATOM 372 CB LEU A 25 2.451 -0.319 10.138 1.00 0.00 C ATOM 373 CG LEU A 25 2.106 -1.648 9.466 1.00 0.00 C ATOM 374 CD1 LEU A 25 0.708 -1.597 8.869 1.00 0.00 C ATOM 375 CD2 LEU A 25 3.133 -1.986 8.395 1.00 0.00 C ATOM 0 H LEU A 25 5.325 -1.053 9.925 1.00 0.00 H new ATOM 0 HA LEU A 25 3.647 0.529 11.710 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.599 -0.009 10.743 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.582 0.435 9.361 1.00 0.00 H new ATOM 0 HG LEU A 25 2.127 -2.432 10.223 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.480 -2.552 8.395 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.018 -1.401 9.658 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.659 -0.802 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.872 -2.935 7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.143 -1.200 7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.120 -2.065 8.850 1.00 0.00 H new ATOM 387 N GLU A 26 3.266 -1.530 13.082 1.00 0.00 N ATOM 388 CA GLU A 26 3.258 -2.687 13.969 1.00 0.00 C ATOM 389 C GLU A 26 2.461 -3.836 13.356 1.00 0.00 C ATOM 390 O GLU A 26 1.563 -3.618 12.544 1.00 0.00 O ATOM 391 CB GLU A 26 2.668 -2.312 15.330 1.00 0.00 C ATOM 392 CG GLU A 26 3.210 -3.145 16.479 1.00 0.00 C ATOM 393 CD GLU A 26 2.891 -2.545 17.835 1.00 0.00 C ATOM 394 OE1 GLU A 26 1.701 -2.527 18.212 1.00 0.00 O ATOM 395 OE2 GLU A 26 3.834 -2.094 18.519 1.00 0.00 O ATOM 0 H GLU A 26 2.874 -0.682 13.491 1.00 0.00 H new ATOM 0 HA GLU A 26 4.289 -3.014 14.107 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.872 -1.260 15.527 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.585 -2.425 15.290 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.792 -4.150 16.423 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.291 -3.243 16.374 1.00 0.00 H new ATOM 402 N ASP A 27 2.799 -5.058 13.752 1.00 0.00 N ATOM 403 CA ASP A 27 2.115 -6.242 13.243 1.00 0.00 C ATOM 404 C ASP A 27 0.673 -6.291 13.736 1.00 0.00 C ATOM 405 O ASP A 27 -0.095 -7.177 13.358 1.00 0.00 O ATOM 406 CB ASP A 27 2.857 -7.509 13.672 1.00 0.00 C ATOM 407 CG ASP A 27 2.808 -7.730 15.171 1.00 0.00 C ATOM 408 OD1 ASP A 27 1.690 -7.814 15.721 1.00 0.00 O ATOM 409 OD2 ASP A 27 3.887 -7.817 15.794 1.00 0.00 O ATOM 0 H ASP A 27 3.541 -5.255 14.423 1.00 0.00 H new ATOM 0 HA ASP A 27 2.106 -6.186 12.154 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.421 -8.371 13.166 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.897 -7.444 13.351 1.00 0.00 H new ATOM 414 N THR A 28 0.310 -5.334 14.584 1.00 0.00 N ATOM 415 CA THR A 28 -1.040 -5.268 15.131 1.00 0.00 C ATOM 416 C THR A 28 -2.002 -4.618 14.144 1.00 0.00 C ATOM 417 O THR A 28 -3.201 -4.904 14.151 1.00 0.00 O ATOM 418 CB THR A 28 -1.072 -4.482 16.455 1.00 0.00 C ATOM 419 OG1 THR A 28 -0.454 -3.202 16.280 1.00 0.00 O ATOM 420 CG2 THR A 28 -0.357 -5.249 17.557 1.00 0.00 C ATOM 0 H THR A 28 0.932 -4.593 14.907 1.00 0.00 H new ATOM 0 HA THR A 28 -1.355 -6.294 15.319 1.00 0.00 H new ATOM 0 HB THR A 28 -2.114 -4.346 16.746 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.237 -3.076 16.963 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.393 -4.674 18.482 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.847 -6.211 17.708 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.682 -5.413 17.271 1.00 0.00 H new ATOM 428 N CYS A 29 -1.472 -3.745 13.295 1.00 0.00 N ATOM 429 CA CYS A 29 -2.285 -3.054 12.301 1.00 0.00 C ATOM 430 C CYS A 29 -2.850 -4.038 11.281 1.00 0.00 C ATOM 431 O CYS A 29 -2.276 -5.102 11.045 1.00 0.00 O ATOM 432 CB CYS A 29 -1.457 -1.983 11.589 1.00 0.00 C ATOM 433 SG CYS A 29 -1.355 -0.415 12.483 1.00 0.00 S ATOM 0 H CYS A 29 -0.482 -3.499 13.275 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.117 -2.576 12.818 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.448 -2.365 11.430 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.888 -1.800 10.605 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.633 0.426 11.803 1.00 0.00 H new ATOM 439 N THR A 30 -3.979 -3.677 10.680 1.00 0.00 N ATOM 440 CA THR A 30 -4.623 -4.529 9.688 1.00 0.00 C ATOM 441 C THR A 30 -4.033 -4.301 8.301 1.00 0.00 C ATOM 442 O THR A 30 -3.677 -3.178 7.944 1.00 0.00 O ATOM 443 CB THR A 30 -6.142 -4.278 9.634 1.00 0.00 C ATOM 444 OG1 THR A 30 -6.408 -2.871 9.658 1.00 0.00 O ATOM 445 CG2 THR A 30 -6.844 -4.952 10.804 1.00 0.00 C ATOM 0 H THR A 30 -4.467 -2.800 10.863 1.00 0.00 H new ATOM 0 HA THR A 30 -4.442 -5.560 9.992 1.00 0.00 H new ATOM 0 HB THR A 30 -6.525 -4.704 8.707 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.376 -2.720 9.622 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.915 -4.761 10.745 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.664 -6.026 10.766 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.456 -4.552 11.741 1.00 0.00 H new ATOM 453 N VAL A 31 -3.931 -5.374 7.523 1.00 0.00 N ATOM 454 CA VAL A 31 -3.385 -5.291 6.174 1.00 0.00 C ATOM 455 C VAL A 31 -4.001 -4.129 5.402 1.00 0.00 C ATOM 456 O VAL A 31 -3.372 -3.559 4.511 1.00 0.00 O ATOM 457 CB VAL A 31 -3.623 -6.596 5.390 1.00 0.00 C ATOM 458 CG1 VAL A 31 -2.892 -7.755 6.049 1.00 0.00 C ATOM 459 CG2 VAL A 31 -5.112 -6.887 5.281 1.00 0.00 C ATOM 0 H VAL A 31 -4.219 -6.311 7.804 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.312 -5.128 6.277 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.225 -6.473 4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.072 -8.668 5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.823 -7.546 6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.257 -7.883 7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.262 -7.812 4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.536 -6.991 6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.606 -6.066 4.761 1.00 0.00 H new ATOM 469 N GLY A 32 -5.236 -3.781 5.752 1.00 0.00 N ATOM 470 CA GLY A 32 -5.916 -2.687 5.083 1.00 0.00 C ATOM 471 C GLY A 32 -5.249 -1.350 5.334 1.00 0.00 C ATOM 472 O GLY A 32 -5.251 -0.476 4.467 1.00 0.00 O ATOM 0 H GLY A 32 -5.777 -4.237 6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.942 -2.881 4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.950 -2.643 5.424 1.00 0.00 H new ATOM 476 N GLU A 33 -4.678 -1.188 6.523 1.00 0.00 N ATOM 477 CA GLU A 33 -4.006 0.055 6.886 1.00 0.00 C ATOM 478 C GLU A 33 -3.000 0.462 5.813 1.00 0.00 C ATOM 479 O GLU A 33 -3.152 1.498 5.166 1.00 0.00 O ATOM 480 CB GLU A 33 -3.299 -0.096 8.234 1.00 0.00 C ATOM 481 CG GLU A 33 -3.276 1.182 9.055 1.00 0.00 C ATOM 482 CD GLU A 33 -2.898 2.398 8.232 1.00 0.00 C ATOM 483 OE1 GLU A 33 -3.574 2.661 7.216 1.00 0.00 O ATOM 484 OE2 GLU A 33 -1.925 3.087 8.604 1.00 0.00 O ATOM 0 H GLU A 33 -4.667 -1.902 7.252 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.761 0.837 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.794 -0.878 8.809 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.275 -0.426 8.063 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.258 1.341 9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.568 1.069 9.876 1.00 0.00 H new ATOM 491 N ILE A 34 -1.973 -0.361 5.631 1.00 0.00 N ATOM 492 CA ILE A 34 -0.942 -0.088 4.638 1.00 0.00 C ATOM 493 C ILE A 34 -1.532 0.591 3.406 1.00 0.00 C ATOM 494 O ILE A 34 -0.984 1.571 2.901 1.00 0.00 O ATOM 495 CB ILE A 34 -0.222 -1.378 4.204 1.00 0.00 C ATOM 496 CG1 ILE A 34 0.241 -2.168 5.430 1.00 0.00 C ATOM 497 CG2 ILE A 34 0.959 -1.048 3.303 1.00 0.00 C ATOM 498 CD1 ILE A 34 1.126 -3.346 5.091 1.00 0.00 C ATOM 0 H ILE A 34 -1.833 -1.223 6.159 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.220 0.580 5.108 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.922 -1.995 3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.781 -1.499 6.100 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.634 -2.526 5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.458 -1.970 3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.604 -0.524 2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.662 -0.413 3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.416 -3.859 6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.582 -4.036 4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.019 -2.994 4.575 1.00 0.00 H new ATOM 510 N LYS A 35 -2.654 0.065 2.928 1.00 0.00 N ATOM 511 CA LYS A 35 -3.322 0.620 1.757 1.00 0.00 C ATOM 512 C LYS A 35 -3.539 2.122 1.916 1.00 0.00 C ATOM 513 O LYS A 35 -3.103 2.913 1.080 1.00 0.00 O ATOM 514 CB LYS A 35 -4.664 -0.079 1.530 1.00 0.00 C ATOM 515 CG LYS A 35 -4.551 -1.589 1.412 1.00 0.00 C ATOM 516 CD LYS A 35 -5.769 -2.187 0.729 1.00 0.00 C ATOM 517 CE LYS A 35 -5.597 -2.228 -0.782 1.00 0.00 C ATOM 518 NZ LYS A 35 -6.111 -0.991 -1.432 1.00 0.00 N ATOM 0 H LYS A 35 -3.121 -0.746 3.334 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.682 0.452 0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.334 0.163 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.120 0.315 0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.654 -1.845 0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.438 -2.025 2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.939 -3.196 1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.653 -1.600 0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.542 -2.354 -1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.122 -3.095 -1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.181 -1.142 -2.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.051 -0.763 -1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.460 -0.203 -1.242 1.00 0.00 H new ATOM 532 N GLN A 36 -4.215 2.506 2.994 1.00 0.00 N ATOM 533 CA GLN A 36 -4.488 3.913 3.262 1.00 0.00 C ATOM 534 C GLN A 36 -3.196 4.678 3.529 1.00 0.00 C ATOM 535 O GLN A 36 -3.110 5.879 3.270 1.00 0.00 O ATOM 536 CB GLN A 36 -5.433 4.053 4.457 1.00 0.00 C ATOM 537 CG GLN A 36 -5.974 5.461 4.644 1.00 0.00 C ATOM 538 CD GLN A 36 -7.206 5.729 3.804 1.00 0.00 C ATOM 539 OE1 GLN A 36 -8.221 5.044 3.933 1.00 0.00 O ATOM 540 NE2 GLN A 36 -7.125 6.732 2.937 1.00 0.00 N ATOM 0 H GLN A 36 -4.583 1.863 3.695 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.965 4.338 2.379 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.269 3.365 4.331 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.907 3.752 5.363 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.215 5.617 5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.198 6.182 4.385 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.264 7.274 2.863 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.924 6.960 2.345 1.00 0.00 H new ATOM 549 N ILE A 37 -2.194 3.975 4.047 1.00 0.00 N ATOM 550 CA ILE A 37 -0.907 4.588 4.347 1.00 0.00 C ATOM 551 C ILE A 37 -0.232 5.100 3.079 1.00 0.00 C ATOM 552 O ILE A 37 0.214 6.247 3.019 1.00 0.00 O ATOM 553 CB ILE A 37 0.037 3.597 5.053 1.00 0.00 C ATOM 554 CG1 ILE A 37 -0.477 3.282 6.459 1.00 0.00 C ATOM 555 CG2 ILE A 37 1.449 4.162 5.115 1.00 0.00 C ATOM 556 CD1 ILE A 37 0.260 2.146 7.132 1.00 0.00 C ATOM 0 H ILE A 37 -2.249 2.981 4.267 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.105 5.427 5.014 1.00 0.00 H new ATOM 0 HB ILE A 37 0.061 2.671 4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.392 4.176 7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.537 3.034 6.402 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.104 3.450 5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.814 4.341 4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.441 5.101 5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.158 1.979 8.125 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.154 1.240 6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.316 2.400 7.221 1.00 0.00 H new ATOM 568 N LEU A 38 -0.162 4.244 2.066 1.00 0.00 N ATOM 569 CA LEU A 38 0.457 4.609 0.797 1.00 0.00 C ATOM 570 C LEU A 38 -0.194 5.860 0.214 1.00 0.00 C ATOM 571 O LEU A 38 0.396 6.546 -0.620 1.00 0.00 O ATOM 572 CB LEU A 38 0.347 3.453 -0.198 1.00 0.00 C ATOM 573 CG LEU A 38 1.154 2.199 0.138 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.909 1.112 -0.897 1.00 0.00 C ATOM 575 CD2 LEU A 38 2.637 2.527 0.228 1.00 0.00 C ATOM 0 H LEU A 38 -0.526 3.292 2.099 1.00 0.00 H new ATOM 0 HA LEU A 38 1.510 4.822 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.703 3.173 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.662 3.812 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 38 0.824 1.828 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.492 0.227 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.150 0.856 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.210 1.472 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.196 1.622 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.981 2.923 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.798 3.271 1.008 1.00 0.00 H new ATOM 587 N GLU A 39 -1.411 6.151 0.662 1.00 0.00 N ATOM 588 CA GLU A 39 -2.140 7.320 0.185 1.00 0.00 C ATOM 589 C GLU A 39 -1.646 8.588 0.876 1.00 0.00 C ATOM 590 O GLU A 39 -1.834 9.695 0.373 1.00 0.00 O ATOM 591 CB GLU A 39 -3.641 7.147 0.427 1.00 0.00 C ATOM 592 CG GLU A 39 -4.466 8.359 0.029 1.00 0.00 C ATOM 593 CD GLU A 39 -5.931 8.213 0.394 1.00 0.00 C ATOM 594 OE1 GLU A 39 -6.553 7.220 -0.040 1.00 0.00 O ATOM 595 OE2 GLU A 39 -6.455 9.090 1.111 1.00 0.00 O ATOM 0 H GLU A 39 -1.912 5.594 1.354 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.961 7.416 -0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.993 6.280 -0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.808 6.935 1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.061 9.246 0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.377 8.517 -1.046 1.00 0.00 H new ATOM 602 N ASN A 40 -1.014 8.417 2.033 1.00 0.00 N ATOM 603 CA ASN A 40 -0.494 9.547 2.794 1.00 0.00 C ATOM 604 C ASN A 40 0.930 9.884 2.362 1.00 0.00 C ATOM 605 O ASN A 40 1.502 10.881 2.802 1.00 0.00 O ATOM 606 CB ASN A 40 -0.524 9.237 4.292 1.00 0.00 C ATOM 607 CG ASN A 40 -1.884 9.500 4.909 1.00 0.00 C ATOM 608 OD1 ASN A 40 -2.878 9.667 4.201 1.00 0.00 O ATOM 609 ND2 ASN A 40 -1.934 9.538 6.235 1.00 0.00 N ATOM 0 H ASN A 40 -0.850 7.507 2.464 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.129 10.410 2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.252 8.193 4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.226 9.842 4.801 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.821 9.711 6.707 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.085 9.394 6.782 1.00 0.00 H new ATOM 616 N GLU A 41 1.494 9.047 1.497 1.00 0.00 N ATOM 617 CA GLU A 41 2.851 9.257 1.006 1.00 0.00 C ATOM 618 C GLU A 41 2.867 9.374 -0.516 1.00 0.00 C ATOM 619 O GLU A 41 3.666 10.120 -1.084 1.00 0.00 O ATOM 620 CB GLU A 41 3.761 8.110 1.450 1.00 0.00 C ATOM 621 CG GLU A 41 3.818 7.926 2.957 1.00 0.00 C ATOM 622 CD GLU A 41 4.751 8.914 3.630 1.00 0.00 C ATOM 623 OE1 GLU A 41 5.606 9.494 2.929 1.00 0.00 O ATOM 624 OE2 GLU A 41 4.627 9.106 4.858 1.00 0.00 O ATOM 0 H GLU A 41 1.033 8.218 1.122 1.00 0.00 H new ATOM 0 HA GLU A 41 3.223 10.190 1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.413 7.184 0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.769 8.292 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.816 8.038 3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.145 6.911 3.183 1.00 0.00 H new ATOM 631 N LEU A 42 1.980 8.632 -1.169 1.00 0.00 N ATOM 632 CA LEU A 42 1.892 8.651 -2.625 1.00 0.00 C ATOM 633 C LEU A 42 0.662 9.428 -3.086 1.00 0.00 C ATOM 634 O LEU A 42 0.431 9.588 -4.284 1.00 0.00 O ATOM 635 CB LEU A 42 1.841 7.223 -3.172 1.00 0.00 C ATOM 636 CG LEU A 42 3.009 6.315 -2.784 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.654 4.856 -3.028 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.262 6.697 -3.559 1.00 0.00 C ATOM 0 H LEU A 42 1.312 8.010 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 42 2.781 9.150 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.916 6.757 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.791 7.273 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 42 3.209 6.447 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.497 4.225 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.784 4.588 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.427 4.708 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.083 6.041 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.074 6.594 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.528 7.730 -3.335 1.00 0.00 H new ATOM 650 N GLN A 43 -0.121 9.909 -2.126 1.00 0.00 N ATOM 651 CA GLN A 43 -1.326 10.671 -2.434 1.00 0.00 C ATOM 652 C GLN A 43 -2.238 9.890 -3.374 1.00 0.00 C ATOM 653 O GLN A 43 -3.037 10.474 -4.106 1.00 0.00 O ATOM 654 CB GLN A 43 -0.958 12.016 -3.062 1.00 0.00 C ATOM 655 CG GLN A 43 -0.330 12.994 -2.081 1.00 0.00 C ATOM 656 CD GLN A 43 1.163 12.784 -1.922 1.00 0.00 C ATOM 657 OE1 GLN A 43 1.544 11.933 -0.976 1.00 0.00 O flip ATOM 658 NE2 GLN A 43 1.965 13.379 -2.641 1.00 0.00 N flip ATOM 0 H GLN A 43 0.057 9.785 -1.129 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.862 10.848 -1.501 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.265 11.845 -3.886 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.855 12.466 -3.488 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.515 14.013 -2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.813 12.889 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.628 14.024 -3.356 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.967 13.227 -2.522 1.00 0.00 H new ATOM 667 N ILE A 44 -2.112 8.567 -3.350 1.00 0.00 N ATOM 668 CA ILE A 44 -2.925 7.707 -4.200 1.00 0.00 C ATOM 669 C ILE A 44 -4.130 7.163 -3.439 1.00 0.00 C ATOM 670 O ILE A 44 -4.027 6.733 -2.290 1.00 0.00 O ATOM 671 CB ILE A 44 -2.106 6.526 -4.754 1.00 0.00 C ATOM 672 CG1 ILE A 44 -0.856 7.037 -5.473 1.00 0.00 C ATOM 673 CG2 ILE A 44 -2.958 5.685 -5.693 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.060 5.944 -6.151 1.00 0.00 C ATOM 0 H ILE A 44 -1.454 8.068 -2.751 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.270 8.321 -5.032 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.791 5.898 -3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.152 7.776 -6.218 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.216 7.548 -4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.365 4.854 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.820 5.296 -5.152 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.299 6.301 -6.525 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.812 6.379 -6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.266 5.217 -5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.684 5.448 -6.895 1.00 0.00 H new ATOM 686 N PRO A 45 -5.300 7.180 -4.094 1.00 0.00 N ATOM 687 CA PRO A 45 -6.547 6.689 -3.499 1.00 0.00 C ATOM 688 C PRO A 45 -6.552 5.174 -3.330 1.00 0.00 C ATOM 689 O PRO A 45 -6.194 4.435 -4.247 1.00 0.00 O ATOM 690 CB PRO A 45 -7.614 7.118 -4.510 1.00 0.00 C ATOM 691 CG PRO A 45 -6.888 7.222 -5.806 1.00 0.00 C ATOM 692 CD PRO A 45 -5.496 7.678 -5.466 1.00 0.00 C ATOM 0 HA PRO A 45 -6.705 7.087 -2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.422 6.389 -4.566 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.064 8.071 -4.231 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.869 6.261 -6.321 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.379 7.931 -6.472 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.758 7.264 -6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.405 8.763 -5.517 1.00 0.00 H new ATOM 700 N VAL A 46 -6.960 4.716 -2.150 1.00 0.00 N ATOM 701 CA VAL A 46 -7.013 3.288 -1.861 1.00 0.00 C ATOM 702 C VAL A 46 -7.942 2.566 -2.829 1.00 0.00 C ATOM 703 O VAL A 46 -7.945 1.337 -2.902 1.00 0.00 O ATOM 704 CB VAL A 46 -7.486 3.025 -0.419 1.00 0.00 C ATOM 705 CG1 VAL A 46 -7.474 1.534 -0.117 1.00 0.00 C ATOM 706 CG2 VAL A 46 -6.618 3.785 0.573 1.00 0.00 C ATOM 0 H VAL A 46 -7.259 5.314 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.000 2.903 -1.979 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.511 3.383 -0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.811 1.367 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.141 1.018 -0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.461 1.147 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.966 3.588 1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.583 3.459 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.683 4.854 0.369 1.00 0.00 H new ATOM 716 N SER A 47 -8.730 3.337 -3.572 1.00 0.00 N ATOM 717 CA SER A 47 -9.667 2.770 -4.534 1.00 0.00 C ATOM 718 C SER A 47 -8.965 2.443 -5.848 1.00 0.00 C ATOM 719 O SER A 47 -9.408 1.578 -6.604 1.00 0.00 O ATOM 720 CB SER A 47 -10.821 3.742 -4.788 1.00 0.00 C ATOM 721 OG SER A 47 -11.617 3.904 -3.626 1.00 0.00 O ATOM 0 H SER A 47 -8.738 4.356 -3.526 1.00 0.00 H new ATOM 0 HA SER A 47 -10.065 1.846 -4.115 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.425 4.709 -5.099 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.438 3.372 -5.607 1.00 0.00 H new ATOM 0 HG SER A 47 -12.346 4.531 -3.814 1.00 0.00 H new ATOM 727 N LYS A 48 -7.867 3.141 -6.115 1.00 0.00 N ATOM 728 CA LYS A 48 -7.100 2.926 -7.336 1.00 0.00 C ATOM 729 C LYS A 48 -5.833 2.127 -7.050 1.00 0.00 C ATOM 730 O LYS A 48 -5.007 1.916 -7.938 1.00 0.00 O ATOM 731 CB LYS A 48 -6.735 4.268 -7.977 1.00 0.00 C ATOM 732 CG LYS A 48 -7.929 5.182 -8.195 1.00 0.00 C ATOM 733 CD LYS A 48 -8.544 4.978 -9.569 1.00 0.00 C ATOM 734 CE LYS A 48 -9.758 5.870 -9.774 1.00 0.00 C ATOM 735 NZ LYS A 48 -9.451 7.299 -9.490 1.00 0.00 N ATOM 0 H LYS A 48 -7.488 3.862 -5.501 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.720 2.356 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.008 4.778 -7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.249 4.083 -8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.679 4.991 -7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.618 6.221 -8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.800 5.192 -10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.834 3.934 -9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.112 5.772 -10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.567 5.537 -9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.215 7.899 -9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.370 7.439 -8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.554 7.559 -9.947 1.00 0.00 H new ATOM 749 N MET A 49 -5.688 1.683 -5.806 1.00 0.00 N ATOM 750 CA MET A 49 -4.522 0.903 -5.404 1.00 0.00 C ATOM 751 C MET A 49 -4.921 -0.523 -5.041 1.00 0.00 C ATOM 752 O MET A 49 -6.027 -0.765 -4.555 1.00 0.00 O ATOM 753 CB MET A 49 -3.822 1.568 -4.218 1.00 0.00 C ATOM 754 CG MET A 49 -3.488 3.032 -4.451 1.00 0.00 C ATOM 755 SD MET A 49 -3.731 4.044 -2.978 1.00 0.00 S ATOM 756 CE MET A 49 -2.382 3.472 -1.949 1.00 0.00 C ATOM 0 H MET A 49 -6.362 1.849 -5.059 1.00 0.00 H new ATOM 0 HA MET A 49 -3.833 0.864 -6.248 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.459 1.485 -3.338 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.903 1.025 -3.998 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.452 3.116 -4.778 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.110 3.418 -5.259 1.00 0.00 H new ATOM 0 HE1 MET A 49 -2.112 4.251 -1.236 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.691 2.577 -1.409 1.00 0.00 H new ATOM 0 HE3 MET A 49 -1.521 3.239 -2.575 1.00 0.00 H new ATOM 766 N LEU A 50 -4.015 -1.465 -5.279 1.00 0.00 N ATOM 767 CA LEU A 50 -4.273 -2.869 -4.976 1.00 0.00 C ATOM 768 C LEU A 50 -3.087 -3.496 -4.250 1.00 0.00 C ATOM 769 O LEU A 50 -1.969 -3.515 -4.765 1.00 0.00 O ATOM 770 CB LEU A 50 -4.565 -3.643 -6.263 1.00 0.00 C ATOM 771 CG LEU A 50 -5.691 -3.090 -7.138 1.00 0.00 C ATOM 772 CD1 LEU A 50 -5.450 -3.436 -8.599 1.00 0.00 C ATOM 773 CD2 LEU A 50 -7.037 -3.627 -6.676 1.00 0.00 C ATOM 0 H LEU A 50 -3.095 -1.282 -5.681 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.144 -2.921 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.652 -3.676 -6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.810 -4.671 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.702 -2.004 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.261 -3.035 -9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.504 -3.003 -8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.412 -4.519 -8.715 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.827 -3.223 -7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.038 -4.715 -6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.213 -3.328 -5.643 1.00 0.00 H new ATOM 785 N LEU A 51 -3.339 -4.010 -3.051 1.00 0.00 N ATOM 786 CA LEU A 51 -2.293 -4.641 -2.254 1.00 0.00 C ATOM 787 C LEU A 51 -1.964 -6.031 -2.789 1.00 0.00 C ATOM 788 O LEU A 51 -2.832 -6.901 -2.865 1.00 0.00 O ATOM 789 CB LEU A 51 -2.726 -4.735 -0.790 1.00 0.00 C ATOM 790 CG LEU A 51 -1.604 -4.677 0.247 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.539 -5.718 -0.060 1.00 0.00 C ATOM 792 CD2 LEU A 51 -0.994 -3.284 0.295 1.00 0.00 C ATOM 0 H LEU A 51 -4.259 -4.002 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.397 -4.024 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.425 -3.924 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.272 -5.668 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.028 -4.900 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.251 -5.662 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.986 -6.712 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.118 -5.528 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.197 -3.261 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.585 -3.032 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.762 -2.559 0.564 1.00 0.00 H new ATOM 804 N LYS A 52 -0.704 -6.235 -3.158 1.00 0.00 N ATOM 805 CA LYS A 52 -0.257 -7.520 -3.683 1.00 0.00 C ATOM 806 C LYS A 52 1.144 -7.855 -3.182 1.00 0.00 C ATOM 807 O LYS A 52 1.878 -6.978 -2.730 1.00 0.00 O ATOM 808 CB LYS A 52 -0.273 -7.502 -5.213 1.00 0.00 C ATOM 809 CG LYS A 52 -1.632 -7.169 -5.804 1.00 0.00 C ATOM 810 CD LYS A 52 -1.531 -6.835 -7.283 1.00 0.00 C ATOM 811 CE LYS A 52 -2.904 -6.758 -7.932 1.00 0.00 C ATOM 812 NZ LYS A 52 -3.649 -8.041 -7.808 1.00 0.00 N ATOM 0 H LYS A 52 0.027 -5.526 -3.103 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.944 -8.288 -3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.456 -6.773 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.046 -8.477 -5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.306 -8.014 -5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.066 -6.325 -5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.015 -5.883 -7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.931 -7.592 -7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.480 -5.957 -7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.794 -6.503 -8.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.392 -8.083 -8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.993 -8.837 -7.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.084 -8.100 -6.865 1.00 0.00 H new ATOM 826 N GLY A 53 1.509 -9.131 -3.268 1.00 0.00 N ATOM 827 CA GLY A 53 2.821 -9.559 -2.821 1.00 0.00 C ATOM 828 C GLY A 53 2.781 -10.230 -1.463 1.00 0.00 C ATOM 829 O GLY A 53 3.803 -10.335 -0.784 1.00 0.00 O ATOM 0 H GLY A 53 0.919 -9.876 -3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.243 -10.249 -3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.486 -8.696 -2.777 1.00 0.00 H new ATOM 833 N TRP A 54 1.598 -10.684 -1.064 1.00 0.00 N ATOM 834 CA TRP A 54 1.429 -11.348 0.224 1.00 0.00 C ATOM 835 C TRP A 54 2.044 -12.743 0.202 1.00 0.00 C ATOM 836 O TRP A 54 2.562 -13.189 -0.822 1.00 0.00 O ATOM 837 CB TRP A 54 -0.055 -11.437 0.583 1.00 0.00 C ATOM 838 CG TRP A 54 -0.637 -10.131 1.033 1.00 0.00 C ATOM 839 CD1 TRP A 54 -1.618 -9.413 0.410 1.00 0.00 C ATOM 840 CD2 TRP A 54 -0.272 -9.386 2.200 1.00 0.00 C ATOM 841 NE1 TRP A 54 -1.885 -8.267 1.120 1.00 0.00 N ATOM 842 CE2 TRP A 54 -1.073 -8.228 2.223 1.00 0.00 C ATOM 843 CE3 TRP A 54 0.653 -9.586 3.229 1.00 0.00 C ATOM 844 CZ2 TRP A 54 -0.975 -7.276 3.234 1.00 0.00 C ATOM 845 CZ3 TRP A 54 0.749 -8.640 4.231 1.00 0.00 C ATOM 846 CH2 TRP A 54 -0.062 -7.497 4.228 1.00 0.00 C ATOM 0 H TRP A 54 0.742 -10.605 -1.613 1.00 0.00 H new ATOM 0 HA TRP A 54 1.944 -10.756 0.981 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.610 -11.794 -0.284 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.187 -12.177 1.373 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.111 -9.703 -0.506 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.576 -7.560 0.867 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.281 -10.464 3.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.598 -6.394 3.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.461 -8.784 5.030 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.036 -6.776 5.026 1.00 0.00 H new ATOM 912 N VAL A 59 -4.391 -11.509 0.459 1.00 0.00 N ATOM 913 CA VAL A 59 -4.872 -11.196 1.799 1.00 0.00 C ATOM 914 C VAL A 59 -5.911 -10.081 1.765 1.00 0.00 C ATOM 915 O VAL A 59 -5.725 -9.068 1.091 1.00 0.00 O ATOM 916 CB VAL A 59 -3.715 -10.777 2.727 1.00 0.00 C ATOM 917 CG1 VAL A 59 -4.254 -10.252 4.048 1.00 0.00 C ATOM 918 CG2 VAL A 59 -2.766 -11.944 2.955 1.00 0.00 C ATOM 0 HA VAL A 59 -5.331 -12.104 2.190 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.158 -9.974 2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.423 -9.961 4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.890 -9.386 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.836 -11.032 4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.955 -11.630 3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.308 -12.769 3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.354 -12.270 2.000 1.00 0.00 H new ATOM 928 N GLU A 60 -7.004 -10.275 2.496 1.00 0.00 N ATOM 929 CA GLU A 60 -8.073 -9.285 2.549 1.00 0.00 C ATOM 930 C GLU A 60 -7.793 -8.238 3.624 1.00 0.00 C ATOM 931 O GLU A 60 -7.111 -8.515 4.611 1.00 0.00 O ATOM 932 CB GLU A 60 -9.416 -9.965 2.821 1.00 0.00 C ATOM 933 CG GLU A 60 -9.507 -10.604 4.196 1.00 0.00 C ATOM 934 CD GLU A 60 -10.845 -11.275 4.441 1.00 0.00 C ATOM 935 OE1 GLU A 60 -11.885 -10.647 4.153 1.00 0.00 O ATOM 936 OE2 GLU A 60 -10.851 -12.428 4.920 1.00 0.00 O ATOM 0 H GLU A 60 -7.172 -11.108 3.059 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.117 -8.784 1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.214 -9.229 2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.587 -10.729 2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.711 -11.340 4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.342 -9.842 4.958 1.00 0.00 H new ATOM 943 N ASP A 61 -8.324 -7.037 3.424 1.00 0.00 N ATOM 944 CA ASP A 61 -8.132 -5.949 4.376 1.00 0.00 C ATOM 945 C ASP A 61 -8.643 -6.341 5.759 1.00 0.00 C ATOM 946 O ASP A 61 -8.246 -5.756 6.767 1.00 0.00 O ATOM 947 CB ASP A 61 -8.850 -4.688 3.893 1.00 0.00 C ATOM 948 CG ASP A 61 -10.227 -4.985 3.331 1.00 0.00 C ATOM 949 OD1 ASP A 61 -11.157 -5.213 4.132 1.00 0.00 O ATOM 950 OD2 ASP A 61 -10.374 -4.989 2.091 1.00 0.00 O ATOM 0 H ASP A 61 -8.890 -6.792 2.612 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.064 -5.745 4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.943 -3.986 4.722 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.246 -4.200 3.128 1.00 0.00 H new ATOM 955 N SER A 62 -9.525 -7.334 5.800 1.00 0.00 N ATOM 956 CA SER A 62 -10.094 -7.801 7.058 1.00 0.00 C ATOM 957 C SER A 62 -9.082 -8.639 7.834 1.00 0.00 C ATOM 958 O SER A 62 -9.339 -9.058 8.963 1.00 0.00 O ATOM 959 CB SER A 62 -11.359 -8.621 6.798 1.00 0.00 C ATOM 960 OG SER A 62 -11.958 -9.034 8.014 1.00 0.00 O ATOM 0 H SER A 62 -9.861 -7.831 4.975 1.00 0.00 H new ATOM 0 HA SER A 62 -10.353 -6.928 7.657 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.069 -8.027 6.222 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.112 -9.495 6.195 1.00 0.00 H new ATOM 0 HG SER A 62 -11.291 -9.013 8.731 1.00 0.00 H new ATOM 966 N THR A 63 -7.928 -8.881 7.219 1.00 0.00 N ATOM 967 CA THR A 63 -6.877 -9.670 7.849 1.00 0.00 C ATOM 968 C THR A 63 -5.867 -8.774 8.557 1.00 0.00 C ATOM 969 O THR A 63 -5.714 -7.602 8.214 1.00 0.00 O ATOM 970 CB THR A 63 -6.137 -10.544 6.819 1.00 0.00 C ATOM 971 OG1 THR A 63 -7.080 -11.284 6.036 1.00 0.00 O ATOM 972 CG2 THR A 63 -5.181 -11.504 7.512 1.00 0.00 C ATOM 0 H THR A 63 -7.698 -8.542 6.285 1.00 0.00 H new ATOM 0 HA THR A 63 -7.362 -10.316 8.581 1.00 0.00 H new ATOM 0 HB THR A 63 -5.560 -9.888 6.167 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.606 -11.950 5.496 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.670 -12.111 6.765 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.446 -10.937 8.083 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.741 -12.153 8.185 1.00 0.00 H new ATOM 980 N VAL A 64 -5.179 -9.333 9.547 1.00 0.00 N ATOM 981 CA VAL A 64 -4.182 -8.585 10.303 1.00 0.00 C ATOM 982 C VAL A 64 -2.774 -9.087 10.003 1.00 0.00 C ATOM 983 O VAL A 64 -2.585 -10.236 9.601 1.00 0.00 O ATOM 984 CB VAL A 64 -4.437 -8.682 11.819 1.00 0.00 C ATOM 985 CG1 VAL A 64 -4.323 -10.124 12.288 1.00 0.00 C ATOM 986 CG2 VAL A 64 -3.471 -7.787 12.580 1.00 0.00 C ATOM 0 H VAL A 64 -5.294 -10.302 9.844 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.267 -7.543 9.994 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.451 -8.338 12.022 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.506 -10.173 13.361 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.059 -10.736 11.766 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.322 -10.498 12.073 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.666 -7.868 13.649 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.447 -8.098 12.373 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.607 -6.753 12.264 1.00 0.00 H new ATOM 996 N LEU A 65 -1.788 -8.219 10.200 1.00 0.00 N ATOM 997 CA LEU A 65 -0.395 -8.574 9.951 1.00 0.00 C ATOM 998 C LEU A 65 0.053 -9.704 10.873 1.00 0.00 C ATOM 999 O LEU A 65 0.570 -10.724 10.418 1.00 0.00 O ATOM 1000 CB LEU A 65 0.506 -7.354 10.147 1.00 0.00 C ATOM 1001 CG LEU A 65 0.108 -6.095 9.376 1.00 0.00 C ATOM 1002 CD1 LEU A 65 0.533 -4.847 10.134 1.00 0.00 C ATOM 1003 CD2 LEU A 65 0.718 -6.108 7.982 1.00 0.00 C ATOM 0 H LEU A 65 -1.927 -7.264 10.531 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.313 -8.917 8.920 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.531 -7.112 11.210 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.521 -7.627 9.858 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.977 -6.082 9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.241 -3.961 9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.048 -4.831 11.110 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.615 -4.853 10.266 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.424 -5.204 7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.805 -6.146 8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.363 -6.983 7.438 1.00 0.00 H new ATOM 1015 N LYS A 66 -0.153 -9.516 12.173 1.00 0.00 N ATOM 1016 CA LYS A 66 0.226 -10.520 13.160 1.00 0.00 C ATOM 1017 C LYS A 66 -0.278 -11.901 12.753 1.00 0.00 C ATOM 1018 O LYS A 66 0.219 -12.919 13.234 1.00 0.00 O ATOM 1019 CB LYS A 66 -0.332 -10.147 14.536 1.00 0.00 C ATOM 1020 CG LYS A 66 -1.720 -10.705 14.801 1.00 0.00 C ATOM 1021 CD LYS A 66 -2.514 -9.806 15.733 1.00 0.00 C ATOM 1022 CE LYS A 66 -2.050 -9.950 17.175 1.00 0.00 C ATOM 1023 NZ LYS A 66 -0.651 -9.473 17.358 1.00 0.00 N ATOM 0 H LYS A 66 -0.580 -8.678 12.567 1.00 0.00 H new ATOM 0 HA LYS A 66 1.314 -10.551 13.211 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.349 -10.510 15.306 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.363 -9.061 14.624 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.255 -10.816 13.858 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.636 -11.700 15.238 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.408 -8.768 15.417 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.573 -10.053 15.664 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.715 -9.385 17.828 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.120 -10.995 17.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.537 -9.092 18.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.007 -10.266 17.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.445 -8.727 16.663 1.00 0.00 H new ATOM 1037 N SER A 67 -1.264 -11.927 11.863 1.00 0.00 N ATOM 1038 CA SER A 67 -1.836 -13.184 11.393 1.00 0.00 C ATOM 1039 C SER A 67 -0.843 -13.937 10.514 1.00 0.00 C ATOM 1040 O SER A 67 -0.645 -15.143 10.673 1.00 0.00 O ATOM 1041 CB SER A 67 -3.126 -12.921 10.614 1.00 0.00 C ATOM 1042 OG SER A 67 -3.874 -14.114 10.449 1.00 0.00 O ATOM 0 H SER A 67 -1.684 -11.093 11.453 1.00 0.00 H new ATOM 0 HA SER A 67 -2.064 -13.799 12.263 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.728 -12.180 11.140 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.886 -12.501 9.637 1.00 0.00 H new ATOM 0 HG SER A 67 -4.694 -13.919 9.950 1.00 0.00 H new ATOM 1048 N LEU A 68 -0.220 -13.219 9.586 1.00 0.00 N ATOM 1049 CA LEU A 68 0.754 -13.819 8.680 1.00 0.00 C ATOM 1050 C LEU A 68 2.141 -13.846 9.313 1.00 0.00 C ATOM 1051 O LEU A 68 3.044 -14.527 8.826 1.00 0.00 O ATOM 1052 CB LEU A 68 0.798 -13.045 7.362 1.00 0.00 C ATOM 1053 CG LEU A 68 -0.555 -12.749 6.712 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -0.474 -11.493 5.858 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -1.016 -13.935 5.877 1.00 0.00 C ATOM 0 H LEU A 68 -0.372 -12.221 9.441 1.00 0.00 H new ATOM 0 HA LEU A 68 0.445 -14.845 8.481 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.310 -12.098 7.536 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.404 -13.609 6.653 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.287 -12.580 7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.446 -11.299 5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.189 -10.646 6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.271 -11.633 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.980 -13.707 5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.284 -14.136 5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.115 -14.813 6.515 1.00 0.00 H new ATOM 1067 N HIS A 69 2.304 -13.102 10.403 1.00 0.00 N ATOM 1068 CA HIS A 69 3.581 -13.042 11.105 1.00 0.00 C ATOM 1069 C HIS A 69 4.716 -12.707 10.141 1.00 0.00 C ATOM 1070 O HIS A 69 5.748 -13.379 10.124 1.00 0.00 O ATOM 1071 CB HIS A 69 3.865 -14.373 11.803 1.00 0.00 C ATOM 1072 CG HIS A 69 2.944 -14.656 12.949 1.00 0.00 C ATOM 1073 ND1 HIS A 69 2.892 -13.874 14.084 1.00 0.00 N ATOM 1074 CD2 HIS A 69 2.035 -15.642 13.132 1.00 0.00 C ATOM 1075 CE1 HIS A 69 1.991 -14.368 14.915 1.00 0.00 C ATOM 1076 NE2 HIS A 69 1.457 -15.441 14.361 1.00 0.00 N ATOM 0 H HIS A 69 1.567 -12.532 10.819 1.00 0.00 H new ATOM 0 HA HIS A 69 3.520 -12.253 11.854 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.785 -15.180 11.075 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.893 -14.372 12.165 1.00 0.00 H new ATOM 0 HD2 HIS A 69 1.807 -16.439 12.440 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.735 -13.963 15.883 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.733 -16.026 14.778 1.00 0.00 H new ATOM 1085 N LEU A 70 4.517 -11.666 9.341 1.00 0.00 N ATOM 1086 CA LEU A 70 5.523 -11.241 8.374 1.00 0.00 C ATOM 1087 C LEU A 70 6.895 -11.123 9.031 1.00 0.00 C ATOM 1088 O LEU A 70 7.023 -10.720 10.188 1.00 0.00 O ATOM 1089 CB LEU A 70 5.127 -9.902 7.750 1.00 0.00 C ATOM 1090 CG LEU A 70 3.925 -9.932 6.805 1.00 0.00 C ATOM 1091 CD1 LEU A 70 3.790 -11.301 6.156 1.00 0.00 C ATOM 1092 CD2 LEU A 70 2.651 -9.565 7.551 1.00 0.00 C ATOM 0 H LEU A 70 3.668 -11.100 9.343 1.00 0.00 H new ATOM 0 HA LEU A 70 5.579 -11.997 7.591 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.914 -9.198 8.554 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.985 -9.511 7.203 1.00 0.00 H new ATOM 0 HG LEU A 70 4.087 -9.195 6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.929 -11.303 5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.692 -11.525 5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.651 -12.058 6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.806 -9.591 6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.484 -10.278 8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.749 -8.562 7.967 1.00 0.00 H new ATOM 1104 N PRO A 71 7.945 -11.479 8.277 1.00 0.00 N ATOM 1105 CA PRO A 71 9.326 -11.419 8.765 1.00 0.00 C ATOM 1106 C PRO A 71 9.816 -9.985 8.943 1.00 0.00 C ATOM 1107 O PRO A 71 9.096 -9.031 8.650 1.00 0.00 O ATOM 1108 CB PRO A 71 10.123 -12.122 7.663 1.00 0.00 C ATOM 1109 CG PRO A 71 9.299 -11.954 6.434 1.00 0.00 C ATOM 1110 CD PRO A 71 7.866 -11.968 6.890 1.00 0.00 C ATOM 0 HA PRO A 71 9.431 -11.880 9.747 1.00 0.00 H new ATOM 0 HB2 PRO A 71 11.110 -11.676 7.542 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.276 -13.176 7.896 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.538 -11.018 5.929 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.490 -12.758 5.723 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.241 -11.324 6.272 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.438 -12.969 6.841 1.00 0.00 H new ATOM 1118 N LYS A 72 11.045 -9.841 9.427 1.00 0.00 N ATOM 1119 CA LYS A 72 11.633 -8.524 9.643 1.00 0.00 C ATOM 1120 C LYS A 72 11.695 -7.735 8.339 1.00 0.00 C ATOM 1121 O LYS A 72 11.400 -6.541 8.311 1.00 0.00 O ATOM 1122 CB LYS A 72 13.037 -8.661 10.237 1.00 0.00 C ATOM 1123 CG LYS A 72 13.569 -7.373 10.841 1.00 0.00 C ATOM 1124 CD LYS A 72 15.023 -7.514 11.261 1.00 0.00 C ATOM 1125 CE LYS A 72 15.960 -7.410 10.067 1.00 0.00 C ATOM 1126 NZ LYS A 72 16.294 -5.995 9.746 1.00 0.00 N ATOM 0 H LYS A 72 11.654 -10.620 9.677 1.00 0.00 H new ATOM 0 HA LYS A 72 11.000 -7.981 10.345 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.024 -9.434 11.005 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.721 -8.997 9.458 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.475 -6.564 10.116 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.964 -7.098 11.705 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.270 -6.740 11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.168 -8.474 11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.877 -7.961 10.276 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.496 -7.880 9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.934 -5.967 8.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.422 -5.475 9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.760 -5.554 10.565 1.00 0.00 H new ATOM 1140 N ASN A 73 12.080 -8.411 7.262 1.00 0.00 N ATOM 1141 CA ASN A 73 12.180 -7.773 5.954 1.00 0.00 C ATOM 1142 C ASN A 73 10.994 -8.151 5.072 1.00 0.00 C ATOM 1143 O ASN A 73 10.619 -9.320 4.986 1.00 0.00 O ATOM 1144 CB ASN A 73 13.488 -8.171 5.268 1.00 0.00 C ATOM 1145 CG ASN A 73 14.673 -8.134 6.214 1.00 0.00 C ATOM 1146 OD1 ASN A 73 15.206 -7.066 6.517 1.00 0.00 O ATOM 1147 ND2 ASN A 73 15.089 -9.303 6.687 1.00 0.00 N ATOM 0 H ASN A 73 12.328 -9.400 7.269 1.00 0.00 H new ATOM 0 HA ASN A 73 12.170 -6.693 6.102 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.388 -9.175 4.855 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.675 -7.499 4.430 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.881 -9.341 7.329 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.617 -10.163 6.408 1.00 0.00 H new ATOM 1154 N ASN A 74 10.409 -7.154 4.417 1.00 0.00 N ATOM 1155 CA ASN A 74 9.266 -7.382 3.541 1.00 0.00 C ATOM 1156 C ASN A 74 9.292 -6.425 2.353 1.00 0.00 C ATOM 1157 O ASN A 74 9.856 -5.334 2.433 1.00 0.00 O ATOM 1158 CB ASN A 74 7.959 -7.212 4.319 1.00 0.00 C ATOM 1159 CG ASN A 74 7.790 -8.261 5.401 1.00 0.00 C ATOM 1160 OD1 ASN A 74 7.680 -9.453 5.114 1.00 0.00 O ATOM 1161 ND2 ASN A 74 7.768 -7.820 6.653 1.00 0.00 N ATOM 0 H ASN A 74 10.708 -6.180 4.476 1.00 0.00 H new ATOM 0 HA ASN A 74 9.326 -8.403 3.164 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.935 -6.220 4.771 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.118 -7.268 3.628 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.656 -8.479 7.424 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.863 -6.823 6.844 1.00 0.00 H new ATOM 1168 N SER A 75 8.676 -6.841 1.251 1.00 0.00 N ATOM 1169 CA SER A 75 8.631 -6.023 0.045 1.00 0.00 C ATOM 1170 C SER A 75 7.298 -6.194 -0.678 1.00 0.00 C ATOM 1171 O SER A 75 6.912 -7.307 -1.039 1.00 0.00 O ATOM 1172 CB SER A 75 9.783 -6.393 -0.891 1.00 0.00 C ATOM 1173 OG SER A 75 10.185 -5.279 -1.670 1.00 0.00 O ATOM 0 H SER A 75 8.201 -7.740 1.169 1.00 0.00 H new ATOM 0 HA SER A 75 8.733 -4.979 0.340 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.628 -6.756 -0.307 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.476 -7.208 -1.547 1.00 0.00 H new ATOM 0 HG SER A 75 10.923 -5.541 -2.259 1.00 0.00 H new ATOM 1179 N LEU A 76 6.599 -5.084 -0.887 1.00 0.00 N ATOM 1180 CA LEU A 76 5.308 -5.109 -1.567 1.00 0.00 C ATOM 1181 C LEU A 76 5.327 -4.216 -2.803 1.00 0.00 C ATOM 1182 O LEU A 76 6.335 -3.576 -3.104 1.00 0.00 O ATOM 1183 CB LEU A 76 4.199 -4.658 -0.615 1.00 0.00 C ATOM 1184 CG LEU A 76 3.815 -5.648 0.486 1.00 0.00 C ATOM 1185 CD1 LEU A 76 2.963 -4.966 1.544 1.00 0.00 C ATOM 1186 CD2 LEU A 76 3.081 -6.843 -0.105 1.00 0.00 C ATOM 0 H LEU A 76 6.904 -4.155 -0.596 1.00 0.00 H new ATOM 0 HA LEU A 76 5.112 -6.133 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.509 -3.725 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.309 -4.438 -1.204 1.00 0.00 H new ATOM 0 HG LEU A 76 4.728 -6.006 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.700 -5.686 2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.524 -4.144 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.054 -4.578 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.815 -7.537 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.175 -6.502 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.726 -7.347 -0.825 1.00 0.00 H new ATOM 1198 N TYR A 77 4.206 -4.177 -3.515 1.00 0.00 N ATOM 1199 CA TYR A 77 4.094 -3.363 -4.719 1.00 0.00 C ATOM 1200 C TYR A 77 2.638 -3.001 -4.998 1.00 0.00 C ATOM 1201 O TYR A 77 1.732 -3.803 -4.771 1.00 0.00 O ATOM 1202 CB TYR A 77 4.685 -4.105 -5.919 1.00 0.00 C ATOM 1203 CG TYR A 77 4.075 -5.469 -6.148 1.00 0.00 C ATOM 1204 CD1 TYR A 77 4.471 -6.564 -5.389 1.00 0.00 C ATOM 1205 CD2 TYR A 77 3.104 -5.664 -7.122 1.00 0.00 C ATOM 1206 CE1 TYR A 77 3.918 -7.813 -5.595 1.00 0.00 C ATOM 1207 CE2 TYR A 77 2.544 -6.909 -7.333 1.00 0.00 C ATOM 1208 CZ TYR A 77 2.954 -7.981 -6.568 1.00 0.00 C ATOM 1209 OH TYR A 77 2.400 -9.223 -6.776 1.00 0.00 O ATOM 0 H TYR A 77 3.362 -4.700 -3.279 1.00 0.00 H new ATOM 0 HA TYR A 77 4.655 -2.442 -4.558 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.546 -3.499 -6.814 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.759 -4.217 -5.773 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.224 -6.436 -4.625 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.781 -4.828 -7.725 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.238 -8.654 -4.998 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.789 -7.042 -8.093 1.00 0.00 H new ATOM 0 HH TYR A 77 1.737 -9.169 -7.496 1.00 0.00 H new ATOM 1219 N VAL A 78 2.421 -1.786 -5.492 1.00 0.00 N ATOM 1220 CA VAL A 78 1.077 -1.316 -5.804 1.00 0.00 C ATOM 1221 C VAL A 78 0.826 -1.329 -7.308 1.00 0.00 C ATOM 1222 O VAL A 78 1.666 -0.890 -8.093 1.00 0.00 O ATOM 1223 CB VAL A 78 0.842 0.109 -5.268 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -0.432 0.697 -5.855 1.00 0.00 C ATOM 1225 CG2 VAL A 78 0.785 0.103 -3.748 1.00 0.00 C ATOM 0 H VAL A 78 3.159 -1.109 -5.685 1.00 0.00 H new ATOM 0 HA VAL A 78 0.382 -1.999 -5.316 1.00 0.00 H new ATOM 0 HB VAL A 78 1.678 0.737 -5.575 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.581 1.704 -5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.347 0.737 -6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.282 0.072 -5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.618 1.118 -3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.031 -0.539 -3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.727 -0.274 -3.350 1.00 0.00 H new ATOM 1235 N LEU A 79 -0.337 -1.836 -7.703 1.00 0.00 N ATOM 1236 CA LEU A 79 -0.701 -1.907 -9.114 1.00 0.00 C ATOM 1237 C LEU A 79 -2.004 -1.160 -9.378 1.00 0.00 C ATOM 1238 O LEU A 79 -3.068 -1.557 -8.902 1.00 0.00 O ATOM 1239 CB LEU A 79 -0.838 -3.366 -9.553 1.00 0.00 C ATOM 1240 CG LEU A 79 0.327 -4.287 -9.193 1.00 0.00 C ATOM 1241 CD1 LEU A 79 0.111 -5.675 -9.778 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.643 -3.700 -9.682 1.00 0.00 C ATOM 0 H LEU A 79 -1.044 -2.204 -7.066 1.00 0.00 H new ATOM 0 HA LEU A 79 0.092 -1.433 -9.693 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.747 -3.774 -9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.972 -3.388 -10.635 1.00 0.00 H new ATOM 0 HG LEU A 79 0.373 -4.375 -8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.951 -6.317 -9.511 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.811 -6.099 -9.379 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.038 -5.605 -10.863 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.461 -4.370 -9.417 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.608 -3.581 -10.765 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.804 -2.728 -9.215 1.00 0.00 H new ATOM 1254 N THR A 80 -1.914 -0.075 -10.142 1.00 0.00 N ATOM 1255 CA THR A 80 -3.086 0.727 -10.471 1.00 0.00 C ATOM 1256 C THR A 80 -3.541 0.474 -11.904 1.00 0.00 C ATOM 1257 O THR A 80 -3.057 1.092 -12.853 1.00 0.00 O ATOM 1258 CB THR A 80 -2.805 2.231 -10.292 1.00 0.00 C ATOM 1259 OG1 THR A 80 -1.823 2.663 -11.240 1.00 0.00 O ATOM 1260 CG2 THR A 80 -2.318 2.526 -8.881 1.00 0.00 C ATOM 0 H THR A 80 -1.042 0.268 -10.544 1.00 0.00 H new ATOM 0 HA THR A 80 -3.877 0.428 -9.783 1.00 0.00 H new ATOM 0 HB THR A 80 -3.735 2.774 -10.460 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.869 2.097 -12.039 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.126 3.594 -8.778 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.080 2.223 -8.162 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.399 1.972 -8.690 1.00 0.00 H new ATOM 1268 N PRO A 81 -4.494 -0.455 -12.068 1.00 0.00 N ATOM 1269 CA PRO A 81 -5.036 -0.810 -13.383 1.00 0.00 C ATOM 1270 C PRO A 81 -5.885 0.307 -13.980 1.00 0.00 C ATOM 1271 O PRO A 81 -5.797 0.596 -15.174 1.00 0.00 O ATOM 1272 CB PRO A 81 -5.900 -2.039 -13.090 1.00 0.00 C ATOM 1273 CG PRO A 81 -6.280 -1.903 -11.656 1.00 0.00 C ATOM 1274 CD PRO A 81 -5.116 -1.230 -10.982 1.00 0.00 C ATOM 0 HA PRO A 81 -4.248 -0.990 -14.114 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.781 -2.066 -13.732 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.348 -2.962 -13.267 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.189 -1.312 -11.547 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.479 -2.878 -11.211 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.442 -0.586 -10.165 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.422 -1.956 -10.558 1.00 0.00 H new ATOM 1282 N ASP A 82 -6.706 0.933 -13.143 1.00 0.00 N ATOM 1283 CA ASP A 82 -7.570 2.020 -13.589 1.00 0.00 C ATOM 1284 C ASP A 82 -6.789 3.326 -13.693 1.00 0.00 C ATOM 1285 O ASP A 82 -6.783 3.977 -14.739 1.00 0.00 O ATOM 1286 CB ASP A 82 -8.748 2.190 -12.629 1.00 0.00 C ATOM 1287 CG ASP A 82 -9.630 0.958 -12.571 1.00 0.00 C ATOM 1288 OD1 ASP A 82 -10.059 0.485 -13.644 1.00 0.00 O ATOM 1289 OD2 ASP A 82 -9.893 0.468 -11.452 1.00 0.00 O ATOM 0 H ASP A 82 -6.791 0.706 -12.152 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.952 1.766 -14.578 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.370 2.410 -11.631 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.346 3.047 -12.940 1.00 0.00 H new ATOM 1294 N LEU A 83 -6.133 3.705 -12.602 1.00 0.00 N ATOM 1295 CA LEU A 83 -5.349 4.936 -12.570 1.00 0.00 C ATOM 1296 C LEU A 83 -4.409 5.014 -13.768 1.00 0.00 C ATOM 1297 O LEU A 83 -3.707 4.059 -14.102 1.00 0.00 O ATOM 1298 CB LEU A 83 -4.545 5.017 -11.271 1.00 0.00 C ATOM 1299 CG LEU A 83 -4.263 6.425 -10.744 1.00 0.00 C ATOM 1300 CD1 LEU A 83 -5.563 7.182 -10.520 1.00 0.00 C ATOM 1301 CD2 LEU A 83 -3.453 6.360 -9.457 1.00 0.00 C ATOM 0 H LEU A 83 -6.128 3.179 -11.728 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.039 5.779 -12.617 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.080 4.463 -10.500 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.592 4.510 -11.424 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.679 6.962 -11.491 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.342 8.181 -10.145 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.106 7.260 -11.462 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.174 6.648 -9.792 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.262 7.371 -9.096 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.012 5.805 -8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.505 5.858 -9.649 1.00 0.00 H new