USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 408 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 8 GLN : amide:sc= 0 X(o=0.51,f=0.48) USER MOD Set 1.2: A 12 CYS SG : rot 48:sc= 0.505 USER MOD Single : A 1 VAL N :NH3+ -120:sc= -0.158 (180deg=-0.66) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0263 K(o=-0.026,f=-4!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.0021) USER MOD Single : A 20 SER OG : rot 75:sc= 0.828 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0927 USER MOD Single : A 25 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 28 LYS NZ :NH3+ 148:sc= 0.0388 (180deg=-0.00383) USER MOD Single : A 30 LYS NZ :NH3+ 170:sc=-0.00275 (180deg=-0.127) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : A 34 SER OG : rot -3:sc= 1.15 USER MOD Single : A 36 HIS : no HE2:sc= 0.0252 K(o=0.025,f=-1) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc=-0.00426 K(o=-0.0043,f=-0.51) USER MOD Single : A 50 ASN : amide:sc= 1.01 K(o=1,f=-4.2!) USER MOD Single : A 55 ASN : amide:sc= -0.0978 K(o=-0.098,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.796 12.226 6.173 1.00 0.00 N ATOM 2 CA VAL A 1 5.619 10.968 5.402 1.00 0.00 C ATOM 3 C VAL A 1 4.569 10.112 6.068 1.00 0.00 C ATOM 4 O VAL A 1 3.869 10.562 6.978 1.00 0.00 O ATOM 5 CB VAL A 1 6.959 10.244 5.205 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.901 11.153 4.380 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.602 9.802 6.540 1.00 0.00 C ATOM 0 H1 VAL A 1 5.577 13.040 5.564 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.155 12.224 6.992 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.780 12.295 6.503 1.00 0.00 H new ATOM 0 HA VAL A 1 5.262 11.200 4.399 1.00 0.00 H new ATOM 0 HB VAL A 1 6.777 9.320 4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.856 10.649 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.448 11.362 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.063 12.089 4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.546 9.296 6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 1 7.785 10.677 7.163 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.929 9.121 7.060 1.00 0.00 H new ATOM 19 N ARG A 2 4.413 8.846 5.629 1.00 0.00 N ATOM 20 CA ARG A 2 3.594 7.893 6.319 1.00 0.00 C ATOM 21 C ARG A 2 4.394 6.638 6.222 1.00 0.00 C ATOM 22 O ARG A 2 5.327 6.548 5.415 1.00 0.00 O ATOM 23 CB ARG A 2 2.177 7.639 5.725 1.00 0.00 C ATOM 24 CG ARG A 2 2.125 7.319 4.215 1.00 0.00 C ATOM 25 CD ARG A 2 1.864 8.526 3.293 1.00 0.00 C ATOM 26 NE ARG A 2 0.393 8.853 3.232 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.203 9.882 3.915 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.483 10.620 4.835 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.512 10.176 3.660 1.00 0.00 N ATOM 0 H ARG A 2 4.859 8.481 4.788 1.00 0.00 H new ATOM 0 HA ARG A 2 3.380 8.261 7.323 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.720 6.812 6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.563 8.520 5.911 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.070 6.860 3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.345 6.577 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.418 9.392 3.656 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.234 8.309 2.291 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.199 8.269 2.642 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.463 10.411 5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.016 11.380 5.329 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.032 9.633 2.970 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.970 10.938 4.159 1.00 0.00 H new ATOM 43 N ASP A 3 4.012 5.635 7.036 1.00 0.00 N ATOM 44 CA ASP A 3 4.453 4.280 6.921 1.00 0.00 C ATOM 45 C ASP A 3 3.092 3.701 7.084 1.00 0.00 C ATOM 46 O ASP A 3 2.361 4.156 7.966 1.00 0.00 O ATOM 47 CB ASP A 3 5.355 3.765 8.073 1.00 0.00 C ATOM 48 CG ASP A 3 6.541 4.705 8.297 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.367 4.861 7.361 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.642 5.277 9.417 1.00 0.00 O ATOM 0 H ASP A 3 3.364 5.778 7.811 1.00 0.00 H new ATOM 0 HA ASP A 3 5.059 4.066 6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.771 3.684 8.990 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.718 2.765 7.837 1.00 0.00 H new ATOM 55 N GLY A 4 2.656 2.788 6.203 1.00 0.00 N ATOM 56 CA GLY A 4 1.353 2.228 6.378 1.00 0.00 C ATOM 57 C GLY A 4 1.396 1.009 5.556 1.00 0.00 C ATOM 58 O GLY A 4 2.424 0.709 4.945 1.00 0.00 O ATOM 0 H GLY A 4 3.181 2.446 5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.150 2.001 7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.573 2.912 6.043 1.00 0.00 H new ATOM 62 N TYR A 5 0.236 0.336 5.439 1.00 0.00 N ATOM 63 CA TYR A 5 0.013 -0.644 4.415 1.00 0.00 C ATOM 64 C TYR A 5 -0.266 0.169 3.181 1.00 0.00 C ATOM 65 O TYR A 5 -0.982 1.163 3.285 1.00 0.00 O ATOM 66 CB TYR A 5 -1.199 -1.541 4.729 1.00 0.00 C ATOM 67 CG TYR A 5 -0.924 -2.387 5.932 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.013 -3.449 5.851 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.561 -2.121 7.155 1.00 0.00 C ATOM 70 CE1 TYR A 5 0.270 -4.228 6.979 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.297 -2.909 8.280 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.386 -3.973 8.193 1.00 0.00 C ATOM 73 OH TYR A 5 -0.141 -4.818 9.297 1.00 0.00 O ATOM 0 H TYR A 5 -0.559 0.472 6.063 1.00 0.00 H new ATOM 0 HA TYR A 5 0.867 -1.314 4.314 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.080 -0.924 4.904 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.420 -2.177 3.872 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.474 -3.668 4.912 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.260 -1.301 7.227 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.994 -5.027 6.915 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.794 -2.699 9.215 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.667 -4.513 10.066 1.00 0.00 H new ATOM 83 N ILE A 6 0.327 -0.161 2.011 1.00 0.00 N ATOM 84 CA ILE A 6 0.101 0.612 0.809 1.00 0.00 C ATOM 85 C ILE A 6 -1.075 -0.016 0.110 1.00 0.00 C ATOM 86 O ILE A 6 -1.249 -1.250 0.143 1.00 0.00 O ATOM 87 CB ILE A 6 1.310 0.846 -0.111 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.097 2.059 -1.069 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.698 -0.453 -0.837 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.250 2.351 -2.037 1.00 0.00 C ATOM 0 H ILE A 6 0.957 -0.954 1.893 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.107 1.640 1.107 1.00 0.00 H new ATOM 0 HB ILE A 6 2.162 1.125 0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.193 1.884 -1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.920 2.949 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.556 -0.266 -1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.956 -1.217 -0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.858 -0.798 -1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.997 3.212 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.156 2.565 -1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.418 1.483 -2.675 1.00 0.00 H new ATOM 102 N ALA A 7 -1.887 0.877 -0.498 1.00 0.00 N ATOM 103 CA ALA A 7 -3.026 0.586 -1.304 1.00 0.00 C ATOM 104 C ALA A 7 -2.615 0.886 -2.701 1.00 0.00 C ATOM 105 O ALA A 7 -1.434 0.880 -3.032 1.00 0.00 O ATOM 106 CB ALA A 7 -4.237 1.489 -0.986 1.00 0.00 C ATOM 0 H ALA A 7 -1.727 1.881 -0.414 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.329 -0.446 -1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.072 1.219 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.527 1.355 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.968 2.531 -1.157 1.00 0.00 H new ATOM 112 N GLN A 8 -3.614 1.216 -3.530 1.00 0.00 N ATOM 113 CA GLN A 8 -3.476 1.826 -4.809 1.00 0.00 C ATOM 114 C GLN A 8 -4.396 2.968 -4.486 1.00 0.00 C ATOM 115 O GLN A 8 -5.289 2.748 -3.657 1.00 0.00 O ATOM 116 CB GLN A 8 -4.080 1.008 -5.988 1.00 0.00 C ATOM 117 CG GLN A 8 -4.822 -0.268 -5.558 1.00 0.00 C ATOM 118 CD GLN A 8 -5.835 -0.660 -6.631 1.00 0.00 C ATOM 119 OE1 GLN A 8 -6.939 -0.101 -6.704 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.454 -1.641 -7.495 1.00 0.00 N ATOM 0 H GLN A 8 -4.590 1.043 -3.287 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.453 2.006 -5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.769 1.646 -6.542 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.278 0.734 -6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.111 -1.079 -5.402 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.330 -0.102 -4.608 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.536 -2.076 -7.400 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.086 -1.941 -8.237 1.00 0.00 H new ATOM 129 N PRO A 9 -4.238 4.160 -5.042 1.00 0.00 N ATOM 130 CA PRO A 9 -5.088 5.288 -4.711 1.00 0.00 C ATOM 131 C PRO A 9 -6.461 5.042 -5.302 1.00 0.00 C ATOM 132 O PRO A 9 -6.540 4.330 -6.303 1.00 0.00 O ATOM 133 CB PRO A 9 -4.390 6.491 -5.364 1.00 0.00 C ATOM 134 CG PRO A 9 -3.521 5.895 -6.477 1.00 0.00 C ATOM 135 CD PRO A 9 -3.116 4.540 -5.899 1.00 0.00 C ATOM 0 HA PRO A 9 -5.225 5.449 -3.642 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.116 7.197 -5.767 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.784 7.036 -4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.075 5.788 -7.410 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.654 6.519 -6.691 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.951 3.805 -6.687 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.189 4.612 -5.331 1.00 0.00 H new ATOM 143 N GLU A 10 -7.568 5.553 -4.714 1.00 0.00 N ATOM 144 CA GLU A 10 -7.588 6.528 -3.651 1.00 0.00 C ATOM 145 C GLU A 10 -7.469 5.828 -2.331 1.00 0.00 C ATOM 146 O GLU A 10 -6.835 6.326 -1.406 1.00 0.00 O ATOM 147 CB GLU A 10 -8.845 7.421 -3.631 1.00 0.00 C ATOM 148 CG GLU A 10 -8.989 8.296 -4.893 1.00 0.00 C ATOM 149 CD GLU A 10 -7.784 9.222 -5.069 1.00 0.00 C ATOM 150 OE1 GLU A 10 -7.506 10.018 -4.132 1.00 0.00 O ATOM 151 OE2 GLU A 10 -7.132 9.145 -6.143 1.00 0.00 O ATOM 0 H GLU A 10 -8.506 5.269 -4.997 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.741 7.189 -3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.729 6.791 -3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.811 8.065 -2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.091 7.658 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.900 8.891 -4.824 1.00 0.00 H new ATOM 158 N ASN A 11 -8.077 4.635 -2.231 1.00 0.00 N ATOM 159 CA ASN A 11 -8.074 3.817 -1.072 1.00 0.00 C ATOM 160 C ASN A 11 -8.403 2.569 -1.801 1.00 0.00 C ATOM 161 O ASN A 11 -9.146 2.663 -2.771 1.00 0.00 O ATOM 162 CB ASN A 11 -9.243 4.141 -0.108 1.00 0.00 C ATOM 163 CG ASN A 11 -9.278 3.140 1.046 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.282 2.477 1.351 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.456 3.036 1.726 1.00 0.00 N ATOM 0 H ASN A 11 -8.598 4.223 -3.005 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.183 3.868 -0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.130 5.152 0.283 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.188 4.113 -0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.534 2.394 2.515 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.258 3.600 1.445 1.00 0.00 H new ATOM 172 N CYS A 12 -7.871 1.428 -1.366 1.00 0.00 N ATOM 173 CA CYS A 12 -8.127 0.074 -1.786 1.00 0.00 C ATOM 174 C CYS A 12 -7.089 -0.569 -0.936 1.00 0.00 C ATOM 175 O CYS A 12 -6.699 0.029 0.066 1.00 0.00 O ATOM 176 CB CYS A 12 -7.923 -0.254 -3.290 1.00 0.00 C ATOM 177 SG CYS A 12 -9.344 0.168 -4.329 1.00 0.00 S ATOM 0 H CYS A 12 -7.170 1.446 -0.625 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.167 -0.232 -1.677 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.047 0.283 -3.654 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.711 -1.318 -3.395 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.744 1.373 -4.048 1.00 0.00 H new ATOM 182 N VAL A 13 -6.589 -1.755 -1.315 1.00 0.00 N ATOM 183 CA VAL A 13 -5.355 -2.292 -0.839 1.00 0.00 C ATOM 184 C VAL A 13 -4.747 -2.560 -2.178 1.00 0.00 C ATOM 185 O VAL A 13 -5.466 -2.558 -3.182 1.00 0.00 O ATOM 186 CB VAL A 13 -5.427 -3.566 0.001 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.768 -3.212 1.457 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.412 -4.602 -0.572 1.00 0.00 C ATOM 0 H VAL A 13 -7.063 -2.365 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.836 -1.637 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.445 -4.038 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.818 -4.124 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.997 -2.557 1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.731 -2.703 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.422 -5.486 0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.412 -4.171 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.100 -4.883 -1.578 1.00 0.00 H new ATOM 198 N TYR A 14 -3.421 -2.809 -2.226 1.00 0.00 N ATOM 199 CA TYR A 14 -2.789 -3.387 -3.387 1.00 0.00 C ATOM 200 C TYR A 14 -2.792 -4.846 -3.008 1.00 0.00 C ATOM 201 O TYR A 14 -3.461 -5.226 -2.050 1.00 0.00 O ATOM 202 CB TYR A 14 -1.345 -2.851 -3.636 1.00 0.00 C ATOM 203 CG TYR A 14 -1.148 -2.186 -4.978 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.678 -2.714 -6.175 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.335 -1.043 -5.061 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.446 -2.081 -7.403 1.00 0.00 C ATOM 207 CE2 TYR A 14 -0.110 -0.399 -6.282 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.666 -0.915 -7.456 1.00 0.00 C ATOM 209 OH TYR A 14 -0.393 -0.275 -8.684 1.00 0.00 O ATOM 0 H TYR A 14 -2.780 -2.610 -1.458 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.296 -3.153 -4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.095 -2.138 -2.851 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.643 -3.680 -3.549 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.270 -3.617 -6.144 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.125 -0.654 -4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.867 -2.490 -8.309 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.493 0.496 -6.318 1.00 0.00 H new ATOM 0 HH TYR A 14 0.161 0.517 -8.524 1.00 0.00 H new ATOM 219 N HIS A 15 -2.054 -5.723 -3.704 1.00 0.00 N ATOM 220 CA HIS A 15 -1.947 -7.081 -3.256 1.00 0.00 C ATOM 221 C HIS A 15 -0.501 -7.335 -3.419 1.00 0.00 C ATOM 222 O HIS A 15 0.144 -6.697 -4.252 1.00 0.00 O ATOM 223 CB HIS A 15 -2.778 -8.105 -4.053 1.00 0.00 C ATOM 224 CG HIS A 15 -4.230 -8.013 -3.672 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.231 -7.686 -4.546 1.00 0.00 N ATOM 226 CD2 HIS A 15 -4.804 -8.200 -2.461 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.377 -7.671 -3.879 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.144 -7.980 -2.611 1.00 0.00 N ATOM 0 H HIS A 15 -1.540 -5.505 -4.558 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.339 -7.200 -2.246 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.664 -7.923 -5.122 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.408 -9.112 -3.860 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.298 -8.472 -1.547 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.345 -7.444 -4.301 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.846 -8.043 -1.873 1.00 0.00 H new ATOM 237 N CYS A 16 0.035 -8.235 -2.579 1.00 0.00 N ATOM 238 CA CYS A 16 1.430 -8.486 -2.466 1.00 0.00 C ATOM 239 C CYS A 16 1.486 -9.941 -2.718 1.00 0.00 C ATOM 240 O CYS A 16 0.490 -10.646 -2.551 1.00 0.00 O ATOM 241 CB CYS A 16 1.980 -8.172 -1.054 1.00 0.00 C ATOM 242 SG CYS A 16 3.792 -8.160 -0.907 1.00 0.00 S ATOM 0 H CYS A 16 -0.530 -8.810 -1.954 1.00 0.00 H new ATOM 0 HA CYS A 16 2.027 -7.871 -3.139 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.601 -7.198 -0.743 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.581 -8.907 -0.355 1.00 0.00 H new ATOM 247 N PHE A 17 2.658 -10.411 -3.150 1.00 0.00 N ATOM 248 CA PHE A 17 2.889 -11.762 -3.523 1.00 0.00 C ATOM 249 C PHE A 17 3.800 -12.155 -2.397 1.00 0.00 C ATOM 250 O PHE A 17 4.834 -11.490 -2.292 1.00 0.00 O ATOM 251 CB PHE A 17 3.633 -11.862 -4.880 1.00 0.00 C ATOM 252 CG PHE A 17 2.903 -11.057 -5.934 1.00 0.00 C ATOM 253 CD1 PHE A 17 1.855 -11.621 -6.682 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.231 -9.703 -6.149 1.00 0.00 C ATOM 255 CE1 PHE A 17 1.151 -10.855 -7.622 1.00 0.00 C ATOM 256 CE2 PHE A 17 2.520 -8.932 -7.077 1.00 0.00 C ATOM 257 CZ PHE A 17 1.483 -9.509 -7.818 1.00 0.00 C ATOM 0 H PHE A 17 3.485 -9.822 -3.244 1.00 0.00 H new ATOM 0 HA PHE A 17 1.993 -12.368 -3.657 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.653 -11.494 -4.772 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.701 -12.905 -5.190 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.589 -12.657 -6.531 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.040 -9.255 -5.591 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.353 -11.303 -8.195 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.772 -7.892 -7.221 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.940 -8.917 -8.540 1.00 0.00 H new ATOM 267 N PRO A 18 3.495 -13.119 -1.519 1.00 0.00 N ATOM 268 CA PRO A 18 4.293 -13.392 -0.332 1.00 0.00 C ATOM 269 C PRO A 18 5.711 -13.759 -0.681 1.00 0.00 C ATOM 270 O PRO A 18 5.943 -14.830 -1.234 1.00 0.00 O ATOM 271 CB PRO A 18 3.555 -14.544 0.354 1.00 0.00 C ATOM 272 CG PRO A 18 2.086 -14.240 0.051 1.00 0.00 C ATOM 273 CD PRO A 18 2.144 -13.674 -1.374 1.00 0.00 C ATOM 0 HA PRO A 18 4.388 -12.519 0.314 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.858 -15.512 -0.045 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.750 -14.567 1.426 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.468 -15.136 0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.668 -13.521 0.755 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.958 -14.453 -2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.386 -12.905 -1.522 1.00 0.00 H new ATOM 281 N GLY A 19 6.664 -12.855 -0.407 1.00 0.00 N ATOM 282 CA GLY A 19 7.979 -12.934 -0.963 1.00 0.00 C ATOM 283 C GLY A 19 8.355 -11.500 -0.964 1.00 0.00 C ATOM 284 O GLY A 19 9.398 -11.131 -0.429 1.00 0.00 O ATOM 0 H GLY A 19 6.521 -12.056 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.651 -13.539 -0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.981 -13.364 -1.964 1.00 0.00 H new ATOM 288 N SER A 20 7.425 -10.669 -1.494 1.00 0.00 N ATOM 289 CA SER A 20 7.374 -9.225 -1.472 1.00 0.00 C ATOM 290 C SER A 20 7.519 -8.720 -2.867 1.00 0.00 C ATOM 291 O SER A 20 6.891 -7.725 -3.220 1.00 0.00 O ATOM 292 CB SER A 20 8.336 -8.433 -0.546 1.00 0.00 C ATOM 293 OG SER A 20 8.341 -8.995 0.759 1.00 0.00 O ATOM 0 H SER A 20 6.622 -11.053 -1.992 1.00 0.00 H new ATOM 0 HA SER A 20 6.404 -9.031 -1.015 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.344 -8.449 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.027 -7.389 -0.498 1.00 0.00 H new ATOM 0 HG SER A 20 8.851 -9.832 0.753 1.00 0.00 H new ATOM 299 N SER A 21 8.344 -9.402 -3.689 1.00 0.00 N ATOM 300 CA SER A 21 9.005 -8.925 -4.881 1.00 0.00 C ATOM 301 C SER A 21 8.215 -8.008 -5.787 1.00 0.00 C ATOM 302 O SER A 21 8.661 -6.911 -6.135 1.00 0.00 O ATOM 303 CB SER A 21 9.503 -10.152 -5.676 1.00 0.00 C ATOM 304 OG SER A 21 10.011 -11.129 -4.765 1.00 0.00 O ATOM 0 H SER A 21 8.571 -10.379 -3.504 1.00 0.00 H new ATOM 0 HA SER A 21 9.815 -8.287 -4.526 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.688 -10.575 -6.264 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.281 -9.853 -6.379 1.00 0.00 H new ATOM 0 HG SER A 21 10.327 -11.910 -5.266 1.00 0.00 H new ATOM 310 N GLY A 22 6.994 -8.419 -6.183 1.00 0.00 N ATOM 311 CA GLY A 22 6.203 -7.638 -7.107 1.00 0.00 C ATOM 312 C GLY A 22 5.706 -6.360 -6.486 1.00 0.00 C ATOM 313 O GLY A 22 5.723 -5.310 -7.123 1.00 0.00 O ATOM 0 H GLY A 22 6.552 -9.283 -5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.801 -7.404 -7.988 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.353 -8.230 -7.447 1.00 0.00 H new ATOM 317 N CYS A 23 5.249 -6.394 -5.216 1.00 0.00 N ATOM 318 CA CYS A 23 4.636 -5.219 -4.638 1.00 0.00 C ATOM 319 C CYS A 23 5.691 -4.391 -3.972 1.00 0.00 C ATOM 320 O CYS A 23 5.541 -3.181 -3.829 1.00 0.00 O ATOM 321 CB CYS A 23 3.492 -5.519 -3.661 1.00 0.00 C ATOM 322 SG CYS A 23 2.402 -4.080 -3.444 1.00 0.00 S ATOM 0 H CYS A 23 5.298 -7.206 -4.601 1.00 0.00 H new ATOM 0 HA CYS A 23 4.175 -4.671 -5.459 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.911 -6.364 -4.029 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.905 -5.812 -2.696 1.00 0.00 H new ATOM 327 N ASP A 24 6.836 -5.014 -3.615 1.00 0.00 N ATOM 328 CA ASP A 24 8.043 -4.315 -3.232 1.00 0.00 C ATOM 329 C ASP A 24 8.481 -3.442 -4.384 1.00 0.00 C ATOM 330 O ASP A 24 8.794 -2.272 -4.193 1.00 0.00 O ATOM 331 CB ASP A 24 9.178 -5.292 -2.825 1.00 0.00 C ATOM 332 CG ASP A 24 10.324 -4.568 -2.113 1.00 0.00 C ATOM 333 OD1 ASP A 24 11.171 -3.954 -2.813 1.00 0.00 O ATOM 334 OD2 ASP A 24 10.360 -4.623 -0.855 1.00 0.00 O ATOM 0 H ASP A 24 6.930 -6.029 -3.590 1.00 0.00 H new ATOM 0 HA ASP A 24 7.829 -3.703 -2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.775 -6.065 -2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.561 -5.794 -3.713 1.00 0.00 H new ATOM 339 N THR A 25 8.430 -3.967 -5.629 1.00 0.00 N ATOM 340 CA THR A 25 8.706 -3.184 -6.814 1.00 0.00 C ATOM 341 C THR A 25 7.727 -2.028 -6.936 1.00 0.00 C ATOM 342 O THR A 25 8.149 -0.891 -7.143 1.00 0.00 O ATOM 343 CB THR A 25 8.669 -4.011 -8.088 1.00 0.00 C ATOM 344 OG1 THR A 25 9.469 -5.186 -7.955 1.00 0.00 O ATOM 345 CG2 THR A 25 9.224 -3.199 -9.278 1.00 0.00 C ATOM 0 H THR A 25 8.196 -4.941 -5.820 1.00 0.00 H new ATOM 0 HA THR A 25 9.720 -2.801 -6.696 1.00 0.00 H new ATOM 0 HB THR A 25 7.629 -4.283 -8.265 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.924 -5.913 -7.587 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.190 -3.808 -10.182 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.620 -2.303 -9.421 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.255 -2.912 -9.073 1.00 0.00 H new ATOM 353 N LEU A 26 6.402 -2.284 -6.764 1.00 0.00 N ATOM 354 CA LEU A 26 5.366 -1.262 -6.834 1.00 0.00 C ATOM 355 C LEU A 26 5.603 -0.182 -5.813 1.00 0.00 C ATOM 356 O LEU A 26 5.519 1.010 -6.101 1.00 0.00 O ATOM 357 CB LEU A 26 3.937 -1.801 -6.591 1.00 0.00 C ATOM 358 CG LEU A 26 3.390 -2.686 -7.731 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.131 -3.443 -7.273 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.109 -1.868 -9.008 1.00 0.00 C ATOM 0 H LEU A 26 6.039 -3.218 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 26 5.430 -0.879 -7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.931 -2.376 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.263 -0.957 -6.446 1.00 0.00 H new ATOM 0 HG LEU A 26 4.161 -3.416 -7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.761 -4.061 -8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.377 -4.077 -6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.362 -2.727 -6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.725 -2.528 -9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.371 -1.096 -8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.032 -1.401 -9.351 1.00 0.00 H new ATOM 372 N CYS A 27 5.953 -0.595 -4.580 1.00 0.00 N ATOM 373 CA CYS A 27 6.319 0.277 -3.486 1.00 0.00 C ATOM 374 C CYS A 27 7.433 1.212 -3.893 1.00 0.00 C ATOM 375 O CYS A 27 7.337 2.422 -3.682 1.00 0.00 O ATOM 376 CB CYS A 27 6.760 -0.528 -2.234 1.00 0.00 C ATOM 377 SG CYS A 27 6.963 0.464 -0.734 1.00 0.00 S ATOM 0 H CYS A 27 5.985 -1.582 -4.326 1.00 0.00 H new ATOM 0 HA CYS A 27 5.432 0.857 -3.233 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.023 -1.308 -2.041 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.703 -1.028 -2.453 1.00 0.00 H new ATOM 382 N LYS A 28 8.499 0.672 -4.528 1.00 0.00 N ATOM 383 CA LYS A 28 9.674 1.444 -4.867 1.00 0.00 C ATOM 384 C LYS A 28 9.379 2.445 -5.949 1.00 0.00 C ATOM 385 O LYS A 28 9.860 3.573 -5.884 1.00 0.00 O ATOM 386 CB LYS A 28 10.866 0.572 -5.339 1.00 0.00 C ATOM 387 CG LYS A 28 11.462 -0.317 -4.231 1.00 0.00 C ATOM 388 CD LYS A 28 12.260 0.448 -3.158 1.00 0.00 C ATOM 389 CE LYS A 28 12.683 -0.410 -1.954 1.00 0.00 C ATOM 390 NZ LYS A 28 13.472 -1.598 -2.356 1.00 0.00 N ATOM 0 H LYS A 28 8.550 -0.307 -4.810 1.00 0.00 H new ATOM 0 HA LYS A 28 9.955 1.948 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.537 -0.061 -6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.648 1.223 -5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.652 -0.861 -3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.114 -1.060 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.152 0.872 -3.619 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.658 1.283 -2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.272 0.198 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.794 -0.734 -1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.159 -1.827 -1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.834 -2.407 -2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.977 -1.395 -3.242 1.00 0.00 H new ATOM 404 N GLU A 29 8.584 2.058 -6.973 1.00 0.00 N ATOM 405 CA GLU A 29 8.312 2.921 -8.108 1.00 0.00 C ATOM 406 C GLU A 29 7.289 3.973 -7.768 1.00 0.00 C ATOM 407 O GLU A 29 7.288 5.041 -8.377 1.00 0.00 O ATOM 408 CB GLU A 29 7.867 2.166 -9.388 1.00 0.00 C ATOM 409 CG GLU A 29 6.557 1.379 -9.239 1.00 0.00 C ATOM 410 CD GLU A 29 6.288 0.536 -10.481 1.00 0.00 C ATOM 411 OE1 GLU A 29 7.106 -0.382 -10.760 1.00 0.00 O ATOM 412 OE2 GLU A 29 5.257 0.789 -11.160 1.00 0.00 O ATOM 0 H GLU A 29 8.126 1.148 -7.021 1.00 0.00 H new ATOM 0 HA GLU A 29 9.269 3.392 -8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.754 2.886 -10.198 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.659 1.477 -9.682 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.612 0.735 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.729 2.069 -9.076 1.00 0.00 H new ATOM 419 N LYS A 30 6.407 3.713 -6.768 1.00 0.00 N ATOM 420 CA LYS A 30 5.527 4.724 -6.218 1.00 0.00 C ATOM 421 C LYS A 30 6.374 5.646 -5.392 1.00 0.00 C ATOM 422 O LYS A 30 6.379 6.853 -5.622 1.00 0.00 O ATOM 423 CB LYS A 30 4.376 4.168 -5.335 1.00 0.00 C ATOM 424 CG LYS A 30 3.050 3.967 -6.098 1.00 0.00 C ATOM 425 CD LYS A 30 3.085 2.941 -7.244 1.00 0.00 C ATOM 426 CE LYS A 30 1.761 2.825 -8.016 1.00 0.00 C ATOM 427 NZ LYS A 30 1.408 4.103 -8.678 1.00 0.00 N ATOM 0 H LYS A 30 6.302 2.795 -6.336 1.00 0.00 H new ATOM 0 HA LYS A 30 5.039 5.223 -7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.686 3.215 -4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.206 4.851 -4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.285 3.660 -5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.738 4.928 -6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.877 3.215 -7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.343 1.964 -6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.842 2.036 -8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.963 2.535 -7.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.608 3.950 -9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.142 4.805 -7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.226 4.452 -9.217 1.00 0.00 H new ATOM 441 N GLY A 31 7.134 5.091 -4.429 1.00 0.00 N ATOM 442 CA GLY A 31 8.170 5.847 -3.773 1.00 0.00 C ATOM 443 C GLY A 31 8.110 5.631 -2.304 1.00 0.00 C ATOM 444 O GLY A 31 8.129 6.597 -1.543 1.00 0.00 O ATOM 0 H GLY A 31 7.037 4.129 -4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.146 5.546 -4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.054 6.907 -3.997 1.00 0.00 H new ATOM 448 N GLY A 32 8.035 4.355 -1.861 1.00 0.00 N ATOM 449 CA GLY A 32 8.283 3.981 -0.494 1.00 0.00 C ATOM 450 C GLY A 32 9.565 3.228 -0.588 1.00 0.00 C ATOM 451 O GLY A 32 9.767 2.447 -1.518 1.00 0.00 O ATOM 0 H GLY A 32 7.797 3.568 -2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.372 4.853 0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.480 3.364 -0.091 1.00 0.00 H new ATOM 455 N THR A 33 10.495 3.482 0.350 1.00 0.00 N ATOM 456 CA THR A 33 11.880 3.109 0.207 1.00 0.00 C ATOM 457 C THR A 33 12.166 1.866 1.006 1.00 0.00 C ATOM 458 O THR A 33 13.316 1.476 1.209 1.00 0.00 O ATOM 459 CB THR A 33 12.758 4.259 0.661 1.00 0.00 C ATOM 460 OG1 THR A 33 12.236 4.843 1.852 1.00 0.00 O ATOM 461 CG2 THR A 33 12.749 5.328 -0.453 1.00 0.00 C ATOM 0 H THR A 33 10.287 3.956 1.229 1.00 0.00 H new ATOM 0 HA THR A 33 12.096 2.894 -0.839 1.00 0.00 H new ATOM 0 HB THR A 33 13.766 3.895 0.858 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.814 5.583 2.134 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.374 6.170 -0.154 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.139 4.896 -1.375 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.728 5.674 -0.617 1.00 0.00 H new ATOM 469 N SER A 34 11.122 1.196 1.502 1.00 0.00 N ATOM 470 CA SER A 34 11.223 -0.122 2.044 1.00 0.00 C ATOM 471 C SER A 34 9.792 -0.500 1.938 1.00 0.00 C ATOM 472 O SER A 34 8.956 0.400 1.807 1.00 0.00 O ATOM 473 CB SER A 34 11.692 -0.187 3.509 1.00 0.00 C ATOM 474 OG SER A 34 13.041 0.264 3.599 1.00 0.00 O ATOM 0 H SER A 34 10.177 1.578 1.529 1.00 0.00 H new ATOM 0 HA SER A 34 11.957 -0.751 1.541 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.049 0.431 4.135 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.614 -1.208 3.882 1.00 0.00 H new ATOM 0 HG SER A 34 13.377 0.471 2.702 1.00 0.00 H new ATOM 480 N GLY A 35 9.484 -1.811 1.959 1.00 0.00 N ATOM 481 CA GLY A 35 8.187 -2.306 1.639 1.00 0.00 C ATOM 482 C GLY A 35 8.355 -3.720 2.039 1.00 0.00 C ATOM 483 O GLY A 35 9.484 -4.117 2.334 1.00 0.00 O ATOM 0 H GLY A 35 10.154 -2.540 2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.398 -1.804 2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.947 -2.196 0.581 1.00 0.00 H new ATOM 487 N HIS A 36 7.246 -4.481 2.082 1.00 0.00 N ATOM 488 CA HIS A 36 7.182 -5.833 2.559 1.00 0.00 C ATOM 489 C HIS A 36 5.814 -6.174 2.042 1.00 0.00 C ATOM 490 O HIS A 36 5.249 -5.374 1.288 1.00 0.00 O ATOM 491 CB HIS A 36 7.174 -5.995 4.108 1.00 0.00 C ATOM 492 CG HIS A 36 8.441 -5.582 4.807 1.00 0.00 C ATOM 493 ND1 HIS A 36 8.636 -4.332 5.333 1.00 0.00 N ATOM 494 CD2 HIS A 36 9.553 -6.305 5.080 1.00 0.00 C ATOM 495 CE1 HIS A 36 9.835 -4.299 5.898 1.00 0.00 C ATOM 496 NE2 HIS A 36 10.413 -5.484 5.759 1.00 0.00 N ATOM 0 H HIS A 36 6.340 -4.134 1.766 1.00 0.00 H new ATOM 0 HA HIS A 36 8.037 -6.433 2.247 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.348 -5.410 4.513 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.972 -7.039 4.346 1.00 0.00 H new ATOM 0 HD1 HIS A 36 7.972 -3.559 5.296 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.729 -7.336 4.812 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.271 -3.444 6.392 1.00 0.00 H new ATOM 505 N CYS A 37 5.220 -7.303 2.492 1.00 0.00 N ATOM 506 CA CYS A 37 3.824 -7.588 2.266 1.00 0.00 C ATOM 507 C CYS A 37 3.150 -7.201 3.540 1.00 0.00 C ATOM 508 O CYS A 37 3.809 -6.788 4.493 1.00 0.00 O ATOM 509 CB CYS A 37 3.500 -9.075 1.975 1.00 0.00 C ATOM 510 SG CYS A 37 4.177 -9.668 0.398 1.00 0.00 S ATOM 0 H CYS A 37 5.711 -8.026 3.018 1.00 0.00 H new ATOM 0 HA CYS A 37 3.493 -7.046 1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.894 -9.690 2.784 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.418 -9.209 1.970 1.00 0.00 H new ATOM 515 N GLY A 38 1.812 -7.308 3.599 1.00 0.00 N ATOM 516 CA GLY A 38 1.101 -6.862 4.748 1.00 0.00 C ATOM 517 C GLY A 38 -0.269 -7.357 4.491 1.00 0.00 C ATOM 518 O GLY A 38 -0.517 -7.971 3.453 1.00 0.00 O ATOM 0 H GLY A 38 1.230 -7.699 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.516 -7.275 5.667 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.128 -5.777 4.846 1.00 0.00 H new ATOM 522 N PHE A 39 -1.207 -7.098 5.418 1.00 0.00 N ATOM 523 CA PHE A 39 -2.573 -7.513 5.326 1.00 0.00 C ATOM 524 C PHE A 39 -3.177 -6.311 5.957 1.00 0.00 C ATOM 525 O PHE A 39 -2.512 -5.715 6.803 1.00 0.00 O ATOM 526 CB PHE A 39 -2.866 -8.786 6.176 1.00 0.00 C ATOM 527 CG PHE A 39 -4.213 -9.407 5.895 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.370 -8.955 6.550 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.325 -10.491 5.003 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.612 -9.556 6.308 1.00 0.00 C ATOM 531 CE2 PHE A 39 -5.564 -11.093 4.756 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.710 -10.623 5.408 1.00 0.00 C ATOM 0 H PHE A 39 -1.005 -6.576 6.271 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.920 -7.785 4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.088 -9.526 5.986 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.809 -8.527 7.233 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.301 -8.134 7.249 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.443 -10.863 4.503 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.494 -9.196 6.816 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.636 -11.919 4.064 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.668 -11.083 5.217 1.00 0.00 H new ATOM 542 N LYS A 40 -4.400 -5.901 5.573 1.00 0.00 N ATOM 543 CA LYS A 40 -5.082 -4.850 6.283 1.00 0.00 C ATOM 544 C LYS A 40 -6.464 -5.383 6.473 1.00 0.00 C ATOM 545 O LYS A 40 -7.214 -5.579 5.514 1.00 0.00 O ATOM 546 CB LYS A 40 -5.099 -3.491 5.548 1.00 0.00 C ATOM 547 CG LYS A 40 -5.442 -2.282 6.447 1.00 0.00 C ATOM 548 CD LYS A 40 -6.936 -2.081 6.760 1.00 0.00 C ATOM 549 CE LYS A 40 -7.219 -0.727 7.431 1.00 0.00 C ATOM 550 NZ LYS A 40 -8.660 -0.575 7.749 1.00 0.00 N ATOM 0 H LYS A 40 -4.915 -6.288 4.782 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.568 -4.620 7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.122 -3.325 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.823 -3.541 4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.904 -2.390 7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.066 -1.378 5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.510 -2.152 5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.279 -2.885 7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.631 -0.642 8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.902 0.081 6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.820 0.348 8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.217 -0.633 6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.954 -1.333 8.397 1.00 0.00 H new ATOM 564 N VAL A 41 -6.840 -5.661 7.739 1.00 0.00 N ATOM 565 CA VAL A 41 -8.074 -6.330 8.047 1.00 0.00 C ATOM 566 C VAL A 41 -9.189 -5.334 7.868 1.00 0.00 C ATOM 567 O VAL A 41 -9.161 -4.243 8.434 1.00 0.00 O ATOM 568 CB VAL A 41 -8.136 -6.920 9.451 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.213 -8.024 9.472 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.760 -7.486 9.866 1.00 0.00 C ATOM 0 H VAL A 41 -6.283 -5.419 8.558 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.163 -7.181 7.371 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.397 -6.141 10.167 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.270 -8.457 10.471 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.179 -7.595 9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.951 -8.801 8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.826 -7.902 10.871 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.463 -8.269 9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.019 -6.687 9.852 1.00 0.00 H new ATOM 580 N GLY A 42 -10.171 -5.687 7.022 1.00 0.00 N ATOM 581 CA GLY A 42 -11.216 -4.788 6.629 1.00 0.00 C ATOM 582 C GLY A 42 -11.197 -4.814 5.145 1.00 0.00 C ATOM 583 O GLY A 42 -12.231 -4.658 4.505 1.00 0.00 O ATOM 0 H GLY A 42 -10.243 -6.613 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.182 -5.109 7.018 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.037 -3.782 7.010 1.00 0.00 H new ATOM 587 N HIS A 43 -10.004 -5.017 4.547 1.00 0.00 N ATOM 588 CA HIS A 43 -9.878 -5.122 3.117 1.00 0.00 C ATOM 589 C HIS A 43 -9.458 -6.528 2.814 1.00 0.00 C ATOM 590 O HIS A 43 -10.243 -7.306 2.277 1.00 0.00 O ATOM 591 CB HIS A 43 -8.854 -4.126 2.534 1.00 0.00 C ATOM 592 CG HIS A 43 -9.316 -2.688 2.552 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.334 -1.900 1.429 1.00 0.00 N ATOM 594 CD2 HIS A 43 -9.668 -1.895 3.592 1.00 0.00 C ATOM 595 CE1 HIS A 43 -9.684 -0.670 1.780 1.00 0.00 C ATOM 596 NE2 HIS A 43 -9.895 -0.640 3.089 1.00 0.00 N ATOM 0 H HIS A 43 -9.123 -5.109 5.054 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.834 -4.876 2.655 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.924 -4.205 3.098 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.629 -4.412 1.506 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.754 -2.196 4.626 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.781 0.171 1.109 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.178 0.177 3.629 1.00 0.00 H new ATOM 605 N GLY A 44 -8.206 -6.909 3.135 1.00 0.00 N ATOM 606 CA GLY A 44 -7.701 -8.186 2.721 1.00 0.00 C ATOM 607 C GLY A 44 -6.226 -8.007 2.771 1.00 0.00 C ATOM 608 O GLY A 44 -5.733 -7.165 3.524 1.00 0.00 O ATOM 0 H GLY A 44 -7.551 -6.343 3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.032 -8.984 3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.040 -8.446 1.718 1.00 0.00 H new ATOM 612 N LEU A 45 -5.484 -8.782 1.945 1.00 0.00 N ATOM 613 CA LEU A 45 -4.039 -8.765 1.895 1.00 0.00 C ATOM 614 C LEU A 45 -3.630 -7.473 1.230 1.00 0.00 C ATOM 615 O LEU A 45 -4.352 -7.002 0.356 1.00 0.00 O ATOM 616 CB LEU A 45 -3.489 -10.020 1.165 1.00 0.00 C ATOM 617 CG LEU A 45 -2.009 -10.378 1.459 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.799 -11.900 1.572 1.00 0.00 C ATOM 619 CD2 LEU A 45 -1.039 -9.801 0.417 1.00 0.00 C ATOM 0 H LEU A 45 -5.901 -9.443 1.289 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.611 -8.806 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.110 -10.875 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.600 -9.870 0.091 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.783 -9.916 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.749 -12.108 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.413 -12.293 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.086 -12.377 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.018 -10.084 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.287 -10.195 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.122 -8.714 0.405 1.00 0.00 H new ATOM 631 N ALA A 46 -2.510 -6.846 1.653 1.00 0.00 N ATOM 632 CA ALA A 46 -2.177 -5.502 1.255 1.00 0.00 C ATOM 633 C ALA A 46 -0.718 -5.544 0.958 1.00 0.00 C ATOM 634 O ALA A 46 -0.138 -6.628 0.929 1.00 0.00 O ATOM 635 CB ALA A 46 -2.428 -4.491 2.393 1.00 0.00 C ATOM 0 H ALA A 46 -1.827 -7.275 2.278 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.786 -5.184 0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.165 -3.489 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.481 -4.514 2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.816 -4.755 3.255 1.00 0.00 H new ATOM 641 N CYS A 47 -0.047 -4.381 0.771 1.00 0.00 N ATOM 642 CA CYS A 47 1.403 -4.438 0.812 1.00 0.00 C ATOM 643 C CYS A 47 1.724 -3.458 1.870 1.00 0.00 C ATOM 644 O CYS A 47 0.803 -2.866 2.427 1.00 0.00 O ATOM 645 CB CYS A 47 2.158 -4.123 -0.491 1.00 0.00 C ATOM 646 SG CYS A 47 1.224 -4.669 -1.931 1.00 0.00 S ATOM 0 H CYS A 47 -0.463 -3.465 0.603 1.00 0.00 H new ATOM 0 HA CYS A 47 1.731 -5.462 0.991 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.342 -3.051 -0.558 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.132 -4.613 -0.478 1.00 0.00 H new ATOM 651 N TRP A 48 3.016 -3.252 2.174 1.00 0.00 N ATOM 652 CA TRP A 48 3.430 -2.355 3.212 1.00 0.00 C ATOM 653 C TRP A 48 4.473 -1.537 2.525 1.00 0.00 C ATOM 654 O TRP A 48 5.075 -2.025 1.567 1.00 0.00 O ATOM 655 CB TRP A 48 3.964 -3.134 4.451 1.00 0.00 C ATOM 656 CG TRP A 48 4.718 -2.316 5.483 1.00 0.00 C ATOM 657 CD1 TRP A 48 6.032 -1.965 5.434 1.00 0.00 C ATOM 658 CD2 TRP A 48 4.168 -1.652 6.635 1.00 0.00 C ATOM 659 NE1 TRP A 48 6.333 -1.088 6.438 1.00 0.00 N ATOM 660 CE2 TRP A 48 5.203 -0.875 7.196 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.897 -1.654 7.192 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.978 -0.076 8.311 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.666 -0.862 8.325 1.00 0.00 C ATOM 664 CH2 TRP A 48 3.691 -0.076 8.873 1.00 0.00 C ATOM 0 H TRP A 48 3.788 -3.714 1.693 1.00 0.00 H new ATOM 0 HA TRP A 48 2.630 -1.741 3.626 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.119 -3.613 4.945 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.620 -3.930 4.099 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.739 -2.329 4.703 1.00 0.00 H new ATOM 0 HE1 TRP A 48 7.245 -0.661 6.600 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.106 -2.251 6.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.769 0.527 8.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.687 -0.857 8.782 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.488 0.537 9.738 1.00 0.00 H new ATOM 675 N CYS A 49 4.678 -0.278 2.986 1.00 0.00 N ATOM 676 CA CYS A 49 5.711 0.598 2.505 1.00 0.00 C ATOM 677 C CYS A 49 6.089 1.431 3.685 1.00 0.00 C ATOM 678 O CYS A 49 5.246 1.706 4.541 1.00 0.00 O ATOM 679 CB CYS A 49 5.258 1.606 1.429 1.00 0.00 C ATOM 680 SG CYS A 49 5.059 0.863 -0.205 1.00 0.00 S ATOM 0 H CYS A 49 4.104 0.141 3.718 1.00 0.00 H new ATOM 0 HA CYS A 49 6.492 -0.022 2.065 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.312 2.053 1.735 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.987 2.414 1.367 1.00 0.00 H new ATOM 685 N ASN A 50 7.361 1.885 3.734 1.00 0.00 N ATOM 686 CA ASN A 50 7.816 2.862 4.693 1.00 0.00 C ATOM 687 C ASN A 50 8.242 4.037 3.879 1.00 0.00 C ATOM 688 O ASN A 50 8.875 3.864 2.838 1.00 0.00 O ATOM 689 CB ASN A 50 9.082 2.475 5.503 1.00 0.00 C ATOM 690 CG ASN A 50 8.737 1.472 6.603 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.642 0.263 6.359 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.539 1.983 7.853 1.00 0.00 N ATOM 0 H ASN A 50 8.091 1.568 3.095 1.00 0.00 H new ATOM 0 HA ASN A 50 7.003 3.006 5.405 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.829 2.046 4.835 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.524 3.368 5.945 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.303 1.361 8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.627 2.986 8.014 1.00 0.00 H new ATOM 699 N ALA A 51 7.929 5.251 4.389 1.00 0.00 N ATOM 700 CA ALA A 51 8.384 6.538 3.925 1.00 0.00 C ATOM 701 C ALA A 51 7.863 6.829 2.556 1.00 0.00 C ATOM 702 O ALA A 51 8.620 7.076 1.620 1.00 0.00 O ATOM 703 CB ALA A 51 9.905 6.785 4.006 1.00 0.00 C ATOM 0 H ALA A 51 7.306 5.339 5.192 1.00 0.00 H new ATOM 0 HA ALA A 51 7.961 7.245 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.132 7.783 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.232 6.704 5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.427 6.043 3.401 1.00 0.00 H new ATOM 709 N LEU A 52 6.519 6.827 2.441 1.00 0.00 N ATOM 710 CA LEU A 52 5.853 7.273 1.247 1.00 0.00 C ATOM 711 C LEU A 52 5.611 8.733 1.490 1.00 0.00 C ATOM 712 O LEU A 52 5.360 9.099 2.638 1.00 0.00 O ATOM 713 CB LEU A 52 4.463 6.639 1.009 1.00 0.00 C ATOM 714 CG LEU A 52 4.506 5.173 0.538 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.165 4.482 0.820 1.00 0.00 C ATOM 716 CD2 LEU A 52 4.871 5.052 -0.951 1.00 0.00 C ATOM 0 H LEU A 52 5.888 6.515 3.179 1.00 0.00 H new ATOM 0 HA LEU A 52 6.467 7.013 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.888 6.694 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.929 7.231 0.266 1.00 0.00 H new ATOM 0 HG LEU A 52 5.292 4.673 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.211 3.447 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.962 4.505 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.369 5.003 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.889 4.000 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.129 5.579 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.854 5.491 -1.122 1.00 0.00 H new ATOM 728 N PRO A 53 5.644 9.595 0.484 1.00 0.00 N ATOM 729 CA PRO A 53 5.278 10.990 0.640 1.00 0.00 C ATOM 730 C PRO A 53 3.807 11.132 0.954 1.00 0.00 C ATOM 731 O PRO A 53 3.044 10.192 0.734 1.00 0.00 O ATOM 732 CB PRO A 53 5.591 11.603 -0.731 1.00 0.00 C ATOM 733 CG PRO A 53 6.727 10.743 -1.283 1.00 0.00 C ATOM 734 CD PRO A 53 6.339 9.354 -0.784 1.00 0.00 C ATOM 0 HA PRO A 53 5.812 11.473 1.459 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.720 11.578 -1.386 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.891 12.647 -0.640 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.781 10.786 -2.371 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.699 11.057 -0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.694 8.843 -1.498 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.218 8.725 -0.641 1.00 0.00 H new ATOM 742 N ASP A 54 3.390 12.301 1.467 1.00 0.00 N ATOM 743 CA ASP A 54 2.077 12.496 2.035 1.00 0.00 C ATOM 744 C ASP A 54 0.998 12.512 0.992 1.00 0.00 C ATOM 745 O ASP A 54 -0.177 12.320 1.289 1.00 0.00 O ATOM 746 CB ASP A 54 1.983 13.853 2.757 1.00 0.00 C ATOM 747 CG ASP A 54 2.984 13.889 3.911 1.00 0.00 C ATOM 748 OD1 ASP A 54 2.719 13.220 4.947 1.00 0.00 O ATOM 749 OD2 ASP A 54 4.030 14.574 3.766 1.00 0.00 O ATOM 0 H ASP A 54 3.974 13.137 1.492 1.00 0.00 H new ATOM 0 HA ASP A 54 1.934 11.660 2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.189 14.664 2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.972 14.007 3.134 1.00 0.00 H new ATOM 754 N ASN A 55 1.385 12.747 -0.276 1.00 0.00 N ATOM 755 CA ASN A 55 0.494 12.826 -1.410 1.00 0.00 C ATOM 756 C ASN A 55 0.158 11.453 -1.928 1.00 0.00 C ATOM 757 O ASN A 55 -0.594 11.324 -2.890 1.00 0.00 O ATOM 758 CB ASN A 55 1.098 13.651 -2.584 1.00 0.00 C ATOM 759 CG ASN A 55 2.514 13.162 -2.937 1.00 0.00 C ATOM 760 OD1 ASN A 55 3.436 13.388 -2.145 1.00 0.00 O ATOM 761 ND2 ASN A 55 2.683 12.471 -4.096 1.00 0.00 N ATOM 0 H ASN A 55 2.363 12.889 -0.530 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.404 13.328 -1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.453 13.569 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.132 14.706 -2.311 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.604 12.112 -4.346 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.888 12.312 -4.715 1.00 0.00 H new ATOM 768 N VAL A 56 0.718 10.389 -1.323 1.00 0.00 N ATOM 769 CA VAL A 56 0.441 9.039 -1.719 1.00 0.00 C ATOM 770 C VAL A 56 -0.646 8.598 -0.784 1.00 0.00 C ATOM 771 O VAL A 56 -0.526 8.757 0.428 1.00 0.00 O ATOM 772 CB VAL A 56 1.655 8.132 -1.598 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.359 6.788 -2.295 1.00 0.00 C ATOM 774 CG2 VAL A 56 2.877 8.857 -2.205 1.00 0.00 C ATOM 0 H VAL A 56 1.374 10.466 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 56 0.154 8.984 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 56 1.880 7.912 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.228 6.135 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.500 6.313 -1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.140 6.965 -3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.756 8.218 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.684 9.079 -3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.054 9.787 -1.664 1.00 0.00 H new ATOM 784 N GLY A 57 -1.751 8.042 -1.323 1.00 0.00 N ATOM 785 CA GLY A 57 -2.851 7.594 -0.512 1.00 0.00 C ATOM 786 C GLY A 57 -2.626 6.137 -0.327 1.00 0.00 C ATOM 787 O GLY A 57 -1.933 5.497 -1.123 1.00 0.00 O ATOM 0 H GLY A 57 -1.884 7.902 -2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.873 8.114 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.806 7.787 -1.001 1.00 0.00 H new ATOM 791 N ILE A 58 -3.176 5.589 0.769 1.00 0.00 N ATOM 792 CA ILE A 58 -2.853 4.279 1.240 1.00 0.00 C ATOM 793 C ILE A 58 -4.165 3.715 1.700 1.00 0.00 C ATOM 794 O ILE A 58 -5.210 4.127 1.198 1.00 0.00 O ATOM 795 CB ILE A 58 -1.786 4.299 2.327 1.00 0.00 C ATOM 796 CG1 ILE A 58 -2.143 5.189 3.541 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.453 4.750 1.686 1.00 0.00 C ATOM 798 CD1 ILE A 58 -1.173 4.978 4.706 1.00 0.00 C ATOM 0 H ILE A 58 -3.866 6.071 1.345 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.404 3.658 0.465 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.704 3.291 2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.128 6.237 3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.158 4.966 3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.327 4.772 2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.173 4.050 0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.573 5.746 1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.459 5.621 5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.208 3.936 5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.161 5.226 4.386 1.00 0.00 H new ATOM 810 N ILE A 59 -4.156 2.749 2.655 1.00 0.00 N ATOM 811 CA ILE A 59 -5.374 2.149 3.149 1.00 0.00 C ATOM 812 C ILE A 59 -5.973 3.141 4.094 1.00 0.00 C ATOM 813 O ILE A 59 -5.270 3.811 4.849 1.00 0.00 O ATOM 814 CB ILE A 59 -5.274 0.810 3.884 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.044 -0.022 3.507 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.566 0.008 3.630 1.00 0.00 C ATOM 817 CD1 ILE A 59 -3.868 -0.340 2.033 1.00 0.00 C ATOM 0 H ILE A 59 -3.306 2.384 3.084 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.960 1.914 2.260 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.154 1.034 4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.155 0.508 3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.087 -0.962 4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.508 -0.949 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.422 0.571 4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.682 -0.165 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.964 -0.932 1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.730 -0.905 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.784 0.588 1.468 1.00 0.00 H new ATOM 829 N VAL A 60 -7.300 3.257 4.014 1.00 0.00 N ATOM 830 CA VAL A 60 -8.141 4.196 4.672 1.00 0.00 C ATOM 831 C VAL A 60 -9.317 3.265 4.796 1.00 0.00 C ATOM 832 O VAL A 60 -9.341 2.230 4.124 1.00 0.00 O ATOM 833 CB VAL A 60 -8.404 5.398 3.752 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.637 6.230 4.154 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.127 6.262 3.660 1.00 0.00 C ATOM 0 H VAL A 60 -7.841 2.624 3.425 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.800 4.664 5.595 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.648 5.007 2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.758 7.060 3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.526 5.600 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.500 6.619 5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.311 7.116 3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.856 6.617 4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.312 5.664 3.253 1.00 0.00 H new