USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 560 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 34 GLN : amide:sc= -0.276 K(o=-0.28,f=-2.8!) USER MOD Set 1.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ -103:sc= 0.0355 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.578 K(o=-0.58,f=0.27) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -10.6! C(o=-11!,f=-16!) USER MOD Single : A 8 ASN : amide:sc= -1.4 K(o=-1.4,f=-4!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 77:sc= 0.89 USER MOD Single : A 18 ASN : amide:sc= -1.81! K(o=-1.8!,f=-0.85) USER MOD Single : A 20 SER OG : rot -71:sc= 1.08 USER MOD Single : A 21 SER OG : rot -88:sc= 0.352 USER MOD Single : A 29 THR OG1 : rot -72:sc= 0.3 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 156:sc= -0.0662 (180deg=-0.849) USER MOD Single : A 44 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-0.49) USER MOD Single : A 46 ASN : amide:sc= -1.51! C(o=-1.5!,f=-3.1!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 51 THR OG1 : rot 163:sc= 0.0931 USER MOD Single : A 52 THR OG1 : rot 107:sc= 1.03 USER MOD Single : A 57 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.43) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 61 TYR OH : rot 180:sc= -1.34! USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 151:sc= -0.123 (180deg=-0.672) USER MOD Single : A 70 ASN : amide:sc= -12.7! C(o=-13!,f=-18!) USER MOD Single : A 72 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.087) USER MOD Single : A 74 GLN : amide:sc= -0.735 X(o=-0.73,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.570 -12.793 -8.134 1.00 0.00 N ATOM 2 CA LEU A 1 4.543 -11.375 -8.595 1.00 0.00 C ATOM 3 C LEU A 1 4.962 -10.460 -7.442 1.00 0.00 C ATOM 4 O LEU A 1 4.736 -10.759 -6.287 1.00 0.00 O ATOM 5 CB LEU A 1 3.126 -11.013 -9.045 1.00 0.00 C ATOM 6 CG LEU A 1 3.186 -9.877 -10.066 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.368 -10.258 -11.302 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.607 -8.603 -9.444 1.00 0.00 C ATOM 0 H1 LEU A 1 5.423 -13.261 -8.501 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.580 -12.820 -7.094 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.725 -13.288 -8.485 1.00 0.00 H new ATOM 0 HA LEU A 1 5.232 -11.249 -9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.639 -11.884 -9.484 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.527 -10.712 -8.186 1.00 0.00 H new ATOM 0 HG LEU A 1 4.222 -9.703 -10.356 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.411 -9.448 -12.030 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.778 -11.166 -11.744 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.332 -10.432 -11.013 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.649 -7.792 -10.171 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.571 -8.778 -9.155 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.189 -8.331 -8.563 1.00 0.00 H new ATOM 22 N GLN A 2 5.573 -9.349 -7.748 1.00 0.00 N ATOM 23 CA GLN A 2 6.008 -8.418 -6.669 1.00 0.00 C ATOM 24 C GLN A 2 5.416 -7.033 -6.923 1.00 0.00 C ATOM 25 O GLN A 2 5.098 -6.675 -8.039 1.00 0.00 O ATOM 26 CB GLN A 2 7.535 -8.330 -6.657 1.00 0.00 C ATOM 27 CG GLN A 2 8.125 -9.729 -6.474 1.00 0.00 C ATOM 28 CD GLN A 2 9.480 -9.809 -7.180 1.00 0.00 C ATOM 29 OE1 GLN A 2 9.542 -9.994 -8.380 1.00 0.00 O ATOM 30 NE2 GLN A 2 10.574 -9.676 -6.483 1.00 0.00 N ATOM 0 H GLN A 2 5.790 -9.046 -8.697 1.00 0.00 H new ATOM 0 HA GLN A 2 5.660 -8.789 -5.705 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.892 -7.892 -7.589 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.866 -7.676 -5.850 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.242 -9.950 -5.413 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.446 -10.478 -6.882 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.522 -9.521 -5.476 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.482 -9.727 -6.945 1.00 0.00 H new ATOM 39 N CYS A 3 5.262 -6.251 -5.892 1.00 0.00 N ATOM 40 CA CYS A 3 4.687 -4.888 -6.064 1.00 0.00 C ATOM 41 C CYS A 3 5.192 -3.971 -4.948 1.00 0.00 C ATOM 42 O CYS A 3 5.432 -4.402 -3.838 1.00 0.00 O ATOM 43 CB CYS A 3 3.165 -4.969 -5.999 1.00 0.00 C ATOM 44 SG CYS A 3 2.524 -5.557 -7.584 1.00 0.00 S ATOM 0 H CYS A 3 5.510 -6.498 -4.934 1.00 0.00 H new ATOM 0 HA CYS A 3 4.993 -4.486 -7.030 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.860 -5.643 -5.199 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.748 -3.989 -5.767 1.00 0.00 H new ATOM 49 N TYR A 4 5.347 -2.706 -5.232 1.00 0.00 N ATOM 50 CA TYR A 4 5.827 -1.763 -4.183 1.00 0.00 C ATOM 51 C TYR A 4 4.672 -1.442 -3.232 1.00 0.00 C ATOM 52 O TYR A 4 3.563 -1.186 -3.655 1.00 0.00 O ATOM 53 CB TYR A 4 6.316 -0.470 -4.843 1.00 0.00 C ATOM 54 CG TYR A 4 7.565 -0.749 -5.644 1.00 0.00 C ATOM 55 CD1 TYR A 4 7.466 -1.152 -6.981 1.00 0.00 C ATOM 56 CD2 TYR A 4 8.824 -0.601 -5.051 1.00 0.00 C ATOM 57 CE1 TYR A 4 8.625 -1.407 -7.724 1.00 0.00 C ATOM 58 CE2 TYR A 4 9.983 -0.854 -5.794 1.00 0.00 C ATOM 59 CZ TYR A 4 9.884 -1.257 -7.130 1.00 0.00 C ATOM 60 OH TYR A 4 11.027 -1.507 -7.863 1.00 0.00 O ATOM 0 H TYR A 4 5.162 -2.286 -6.143 1.00 0.00 H new ATOM 0 HA TYR A 4 6.647 -2.218 -3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.539 -0.065 -5.492 1.00 0.00 H new ATOM 0 HB3 TYR A 4 6.521 0.283 -4.082 1.00 0.00 H new ATOM 0 HD1 TYR A 4 6.495 -1.266 -7.440 1.00 0.00 H new ATOM 0 HD2 TYR A 4 8.901 -0.291 -4.019 1.00 0.00 H new ATOM 0 HE1 TYR A 4 8.548 -1.719 -8.755 1.00 0.00 H new ATOM 0 HE2 TYR A 4 10.954 -0.738 -5.336 1.00 0.00 H new ATOM 0 HH TYR A 4 11.816 -1.354 -7.302 1.00 0.00 H new ATOM 70 N ASN A 5 4.919 -1.457 -1.949 1.00 0.00 N ATOM 71 CA ASN A 5 3.827 -1.156 -0.981 1.00 0.00 C ATOM 72 C ASN A 5 4.271 -0.045 -0.027 1.00 0.00 C ATOM 73 O ASN A 5 5.241 -0.179 0.690 1.00 0.00 O ATOM 74 CB ASN A 5 3.494 -2.413 -0.176 1.00 0.00 C ATOM 75 CG ASN A 5 3.058 -3.530 -1.125 1.00 0.00 C ATOM 76 OD1 ASN A 5 3.187 -3.405 -2.327 1.00 0.00 O ATOM 77 ND2 ASN A 5 2.545 -4.624 -0.634 1.00 0.00 N ATOM 0 H ASN A 5 5.826 -1.664 -1.532 1.00 0.00 H new ATOM 0 HA ASN A 5 2.944 -0.829 -1.530 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.364 -2.730 0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.700 -2.199 0.539 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.252 -5.375 -1.259 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.437 -4.729 0.375 1.00 0.00 H new ATOM 84 N CYS A 6 3.558 1.048 -0.010 1.00 0.00 N ATOM 85 CA CYS A 6 3.924 2.169 0.900 1.00 0.00 C ATOM 86 C CYS A 6 2.660 2.654 1.622 1.00 0.00 C ATOM 87 O CYS A 6 1.604 2.728 1.028 1.00 0.00 O ATOM 88 CB CYS A 6 4.523 3.317 0.082 1.00 0.00 C ATOM 89 SG CYS A 6 5.876 4.084 1.010 1.00 0.00 S ATOM 0 H CYS A 6 2.735 1.213 -0.589 1.00 0.00 H new ATOM 0 HA CYS A 6 4.659 1.830 1.630 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.890 2.943 -0.874 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.755 4.058 -0.140 1.00 0.00 H new ATOM 94 N PRO A 7 2.803 2.965 2.886 1.00 0.00 N ATOM 95 CA PRO A 7 1.682 3.439 3.716 1.00 0.00 C ATOM 96 C PRO A 7 1.379 4.913 3.426 1.00 0.00 C ATOM 97 O PRO A 7 0.385 5.452 3.874 1.00 0.00 O ATOM 98 CB PRO A 7 2.193 3.256 5.148 1.00 0.00 C ATOM 99 CG PRO A 7 3.737 3.234 5.060 1.00 0.00 C ATOM 100 CD PRO A 7 4.090 2.876 3.604 1.00 0.00 C ATOM 0 HA PRO A 7 0.754 2.900 3.527 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.852 4.069 5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.815 2.329 5.580 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.154 4.203 5.333 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.154 2.501 5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.825 3.567 3.191 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.518 1.876 3.532 1.00 0.00 H new ATOM 108 N ASN A 8 2.226 5.570 2.681 1.00 0.00 N ATOM 109 CA ASN A 8 1.982 7.006 2.365 1.00 0.00 C ATOM 110 C ASN A 8 2.199 7.248 0.871 1.00 0.00 C ATOM 111 O ASN A 8 2.798 6.436 0.193 1.00 0.00 O ATOM 112 CB ASN A 8 2.945 7.884 3.172 1.00 0.00 C ATOM 113 CG ASN A 8 4.248 7.124 3.428 1.00 0.00 C ATOM 114 OD1 ASN A 8 4.265 6.157 4.162 1.00 0.00 O ATOM 115 ND2 ASN A 8 5.346 7.523 2.848 1.00 0.00 N ATOM 0 H ASN A 8 3.076 5.175 2.278 1.00 0.00 H new ATOM 0 HA ASN A 8 0.955 7.261 2.627 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.152 8.807 2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.486 8.167 4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.220 7.023 3.011 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.331 8.335 2.231 1.00 0.00 H new ATOM 122 N PRO A 9 1.699 8.362 0.400 1.00 0.00 N ATOM 123 CA PRO A 9 1.816 8.748 -1.015 1.00 0.00 C ATOM 124 C PRO A 9 3.216 9.283 -1.308 1.00 0.00 C ATOM 125 O PRO A 9 3.445 10.474 -1.360 1.00 0.00 O ATOM 126 CB PRO A 9 0.757 9.842 -1.180 1.00 0.00 C ATOM 127 CG PRO A 9 0.495 10.412 0.235 1.00 0.00 C ATOM 128 CD PRO A 9 0.974 9.341 1.236 1.00 0.00 C ATOM 0 HA PRO A 9 1.665 7.915 -1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.107 10.623 -1.855 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.158 9.435 -1.611 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.034 11.348 0.382 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.564 10.628 0.376 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.623 9.771 1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.135 8.878 1.755 1.00 0.00 H new ATOM 136 N THR A 10 4.151 8.400 -1.500 1.00 0.00 N ATOM 137 CA THR A 10 5.546 8.837 -1.794 1.00 0.00 C ATOM 138 C THR A 10 5.792 8.781 -3.302 1.00 0.00 C ATOM 139 O THR A 10 4.964 8.315 -4.059 1.00 0.00 O ATOM 140 CB THR A 10 6.537 7.913 -1.083 1.00 0.00 C ATOM 141 OG1 THR A 10 7.859 8.389 -1.295 1.00 0.00 O ATOM 142 CG2 THR A 10 6.404 6.494 -1.640 1.00 0.00 C ATOM 0 H THR A 10 4.012 7.390 -1.467 1.00 0.00 H new ATOM 0 HA THR A 10 5.685 9.858 -1.439 1.00 0.00 H new ATOM 0 HB THR A 10 6.323 7.900 -0.014 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.496 7.800 -0.839 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.110 5.836 -1.133 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.389 6.132 -1.476 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.618 6.501 -2.709 1.00 0.00 H new ATOM 150 N ALA A 11 6.927 9.251 -3.743 1.00 0.00 N ATOM 151 CA ALA A 11 7.230 9.223 -5.202 1.00 0.00 C ATOM 152 C ALA A 11 7.882 7.887 -5.559 1.00 0.00 C ATOM 153 O ALA A 11 9.081 7.800 -5.741 1.00 0.00 O ATOM 154 CB ALA A 11 8.187 10.366 -5.546 1.00 0.00 C ATOM 0 H ALA A 11 7.658 9.653 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 11 6.306 9.341 -5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.409 10.346 -6.613 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.723 11.318 -5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 11 9.112 10.249 -4.981 1.00 0.00 H new ATOM 160 N ASP A 12 7.104 6.844 -5.655 1.00 0.00 N ATOM 161 CA ASP A 12 7.680 5.512 -5.995 1.00 0.00 C ATOM 162 C ASP A 12 8.359 4.923 -4.757 1.00 0.00 C ATOM 163 O ASP A 12 9.561 4.753 -4.718 1.00 0.00 O ATOM 164 CB ASP A 12 8.709 5.668 -7.118 1.00 0.00 C ATOM 165 CG ASP A 12 8.794 4.368 -7.919 1.00 0.00 C ATOM 166 OD1 ASP A 12 7.811 3.645 -7.944 1.00 0.00 O ATOM 167 OD2 ASP A 12 9.839 4.116 -8.495 1.00 0.00 O ATOM 0 H ASP A 12 6.094 6.856 -5.513 1.00 0.00 H new ATOM 0 HA ASP A 12 6.884 4.846 -6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.426 6.493 -7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.685 5.914 -6.699 1.00 0.00 H new ATOM 172 N CYS A 13 7.598 4.616 -3.744 1.00 0.00 N ATOM 173 CA CYS A 13 8.193 4.041 -2.506 1.00 0.00 C ATOM 174 C CYS A 13 9.238 2.987 -2.876 1.00 0.00 C ATOM 175 O CYS A 13 9.195 2.402 -3.940 1.00 0.00 O ATOM 176 CB CYS A 13 7.090 3.390 -1.669 1.00 0.00 C ATOM 177 SG CYS A 13 7.548 3.439 0.080 1.00 0.00 S ATOM 0 H CYS A 13 6.586 4.739 -3.720 1.00 0.00 H new ATOM 0 HA CYS A 13 8.670 4.835 -1.932 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.146 3.913 -1.823 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.939 2.358 -1.987 1.00 0.00 H new ATOM 182 N LYS A 14 10.175 2.738 -2.003 1.00 0.00 N ATOM 183 CA LYS A 14 11.220 1.720 -2.301 1.00 0.00 C ATOM 184 C LYS A 14 11.032 0.518 -1.373 1.00 0.00 C ATOM 185 O LYS A 14 11.964 -0.203 -1.075 1.00 0.00 O ATOM 186 CB LYS A 14 12.606 2.329 -2.078 1.00 0.00 C ATOM 187 CG LYS A 14 13.209 2.733 -3.425 1.00 0.00 C ATOM 188 CD LYS A 14 13.331 1.499 -4.321 1.00 0.00 C ATOM 189 CE LYS A 14 14.808 1.196 -4.573 1.00 0.00 C ATOM 190 NZ LYS A 14 15.215 0.010 -3.766 1.00 0.00 N ATOM 0 H LYS A 14 10.262 3.196 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 14 11.132 1.397 -3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.532 3.199 -1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.255 1.610 -1.578 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.582 3.484 -3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.189 3.185 -3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.849 0.644 -3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.818 1.671 -5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.975 1.003 -5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.418 2.059 -4.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.220 -0.198 -3.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.069 0.211 -2.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.640 -0.812 -4.042 1.00 0.00 H new ATOM 204 N THR A 15 9.830 0.297 -0.913 1.00 0.00 N ATOM 205 CA THR A 15 9.577 -0.858 -0.004 1.00 0.00 C ATOM 206 C THR A 15 9.737 -2.164 -0.785 1.00 0.00 C ATOM 207 O THR A 15 10.264 -3.139 -0.287 1.00 0.00 O ATOM 208 CB THR A 15 8.152 -0.766 0.548 1.00 0.00 C ATOM 209 OG1 THR A 15 7.977 0.489 1.193 1.00 0.00 O ATOM 210 CG2 THR A 15 7.916 -1.895 1.552 1.00 0.00 C ATOM 0 H THR A 15 9.012 0.867 -1.128 1.00 0.00 H new ATOM 0 HA THR A 15 10.290 -0.837 0.820 1.00 0.00 H new ATOM 0 HB THR A 15 7.438 -0.858 -0.271 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.858 1.190 0.518 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.901 -1.827 1.944 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.051 -2.857 1.057 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.628 -1.807 2.373 1.00 0.00 H new ATOM 218 N ALA A 16 9.292 -2.186 -2.011 1.00 0.00 N ATOM 219 CA ALA A 16 9.419 -3.419 -2.834 1.00 0.00 C ATOM 220 C ALA A 16 9.062 -4.652 -1.996 1.00 0.00 C ATOM 221 O ALA A 16 9.919 -5.299 -1.428 1.00 0.00 O ATOM 222 CB ALA A 16 10.857 -3.542 -3.335 1.00 0.00 C ATOM 0 H ALA A 16 8.844 -1.398 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 16 8.735 -3.357 -3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.956 -4.444 -3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.107 -2.671 -3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.535 -3.599 -2.484 1.00 0.00 H new ATOM 228 N VAL A 17 7.802 -4.985 -1.925 1.00 0.00 N ATOM 229 CA VAL A 17 7.384 -6.182 -1.138 1.00 0.00 C ATOM 230 C VAL A 17 6.609 -7.130 -2.056 1.00 0.00 C ATOM 231 O VAL A 17 5.952 -6.704 -2.981 1.00 0.00 O ATOM 232 CB VAL A 17 6.490 -5.749 0.027 1.00 0.00 C ATOM 233 CG1 VAL A 17 5.119 -5.330 -0.507 1.00 0.00 C ATOM 234 CG2 VAL A 17 6.321 -6.920 0.998 1.00 0.00 C ATOM 0 H VAL A 17 7.042 -4.479 -2.379 1.00 0.00 H new ATOM 0 HA VAL A 17 8.264 -6.688 -0.740 1.00 0.00 H new ATOM 0 HB VAL A 17 6.950 -4.907 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.484 -5.022 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.238 -4.498 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.657 -6.171 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.685 -6.615 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.861 -7.760 0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.297 -7.220 1.380 1.00 0.00 H new ATOM 244 N ASN A 18 6.681 -8.408 -1.813 1.00 0.00 N ATOM 245 CA ASN A 18 5.942 -9.366 -2.691 1.00 0.00 C ATOM 246 C ASN A 18 4.573 -9.672 -2.081 1.00 0.00 C ATOM 247 O ASN A 18 4.471 -10.223 -1.004 1.00 0.00 O ATOM 248 CB ASN A 18 6.724 -10.682 -2.858 1.00 0.00 C ATOM 249 CG ASN A 18 8.019 -10.651 -2.042 1.00 0.00 C ATOM 250 OD1 ASN A 18 8.231 -11.469 -1.169 1.00 0.00 O ATOM 251 ND2 ASN A 18 8.887 -9.717 -2.318 1.00 0.00 N ATOM 0 H ASN A 18 7.213 -8.831 -1.053 1.00 0.00 H new ATOM 0 HA ASN A 18 5.822 -8.904 -3.671 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.106 -11.521 -2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.956 -10.842 -3.911 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.762 -9.664 -1.797 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.690 -9.040 -3.055 1.00 0.00 H new ATOM 257 N CYS A 19 3.519 -9.324 -2.767 1.00 0.00 N ATOM 258 CA CYS A 19 2.156 -9.598 -2.231 1.00 0.00 C ATOM 259 C CYS A 19 1.943 -11.111 -2.140 1.00 0.00 C ATOM 260 O CYS A 19 2.002 -11.815 -3.130 1.00 0.00 O ATOM 261 CB CYS A 19 1.107 -8.990 -3.166 1.00 0.00 C ATOM 262 SG CYS A 19 1.070 -7.195 -2.947 1.00 0.00 S ATOM 0 H CYS A 19 3.543 -8.862 -3.676 1.00 0.00 H new ATOM 0 HA CYS A 19 2.058 -9.155 -1.240 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.342 -9.236 -4.202 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.125 -9.413 -2.953 1.00 0.00 H new ATOM 267 N SER A 20 1.699 -11.618 -0.963 1.00 0.00 N ATOM 268 CA SER A 20 1.484 -13.085 -0.813 1.00 0.00 C ATOM 269 C SER A 20 0.266 -13.334 0.077 1.00 0.00 C ATOM 270 O SER A 20 0.388 -13.750 1.212 1.00 0.00 O ATOM 271 CB SER A 20 2.719 -13.720 -0.172 1.00 0.00 C ATOM 272 OG SER A 20 2.335 -14.906 0.512 1.00 0.00 O ATOM 0 H SER A 20 1.639 -11.080 -0.099 1.00 0.00 H new ATOM 0 HA SER A 20 1.315 -13.528 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.461 -13.951 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.183 -13.020 0.522 1.00 0.00 H new ATOM 0 HG SER A 20 1.830 -14.670 1.318 1.00 0.00 H new ATOM 278 N SER A 21 -0.910 -13.081 -0.428 1.00 0.00 N ATOM 279 CA SER A 21 -2.135 -13.303 0.388 1.00 0.00 C ATOM 280 C SER A 21 -3.372 -13.072 -0.481 1.00 0.00 C ATOM 281 O SER A 21 -4.271 -13.890 -0.528 1.00 0.00 O ATOM 282 CB SER A 21 -2.149 -12.326 1.563 1.00 0.00 C ATOM 283 OG SER A 21 -3.221 -12.657 2.436 1.00 0.00 O ATOM 0 H SER A 21 -1.075 -12.730 -1.371 1.00 0.00 H new ATOM 0 HA SER A 21 -2.140 -14.325 0.766 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.201 -12.370 2.099 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.262 -11.304 1.200 1.00 0.00 H new ATOM 0 HG SER A 21 -4.033 -12.190 2.148 1.00 0.00 H new ATOM 289 N ASP A 22 -3.424 -11.967 -1.171 1.00 0.00 N ATOM 290 CA ASP A 22 -4.603 -11.686 -2.038 1.00 0.00 C ATOM 291 C ASP A 22 -4.443 -10.314 -2.697 1.00 0.00 C ATOM 292 O ASP A 22 -4.662 -9.288 -2.084 1.00 0.00 O ATOM 293 CB ASP A 22 -5.874 -11.699 -1.188 1.00 0.00 C ATOM 294 CG ASP A 22 -5.761 -10.647 -0.084 1.00 0.00 C ATOM 295 OD1 ASP A 22 -5.114 -10.928 0.911 1.00 0.00 O ATOM 296 OD2 ASP A 22 -6.323 -9.578 -0.253 1.00 0.00 O ATOM 0 H ASP A 22 -2.702 -11.247 -1.172 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.674 -12.451 -2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.744 -11.494 -1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.021 -12.686 -0.750 1.00 0.00 H new ATOM 301 N PHE A 23 -4.064 -10.292 -3.945 1.00 0.00 N ATOM 302 CA PHE A 23 -3.890 -8.993 -4.656 1.00 0.00 C ATOM 303 C PHE A 23 -4.165 -9.202 -6.149 1.00 0.00 C ATOM 304 O PHE A 23 -4.784 -8.383 -6.798 1.00 0.00 O ATOM 305 CB PHE A 23 -2.455 -8.497 -4.463 1.00 0.00 C ATOM 306 CG PHE A 23 -1.493 -9.545 -4.966 1.00 0.00 C ATOM 307 CD1 PHE A 23 -1.373 -10.763 -4.290 1.00 0.00 C ATOM 308 CD2 PHE A 23 -0.722 -9.297 -6.107 1.00 0.00 C ATOM 309 CE1 PHE A 23 -0.482 -11.736 -4.755 1.00 0.00 C ATOM 310 CE2 PHE A 23 0.170 -10.269 -6.572 1.00 0.00 C ATOM 311 CZ PHE A 23 0.290 -11.489 -5.897 1.00 0.00 C ATOM 0 H PHE A 23 -3.866 -11.121 -4.506 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.583 -8.254 -4.255 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.306 -7.561 -5.002 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.268 -8.291 -3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.968 -10.953 -3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.816 -8.356 -6.628 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.390 -12.677 -4.234 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.766 -10.078 -7.452 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.978 -12.240 -6.257 1.00 0.00 H new ATOM 321 N ASP A 24 -3.713 -10.301 -6.691 1.00 0.00 N ATOM 322 CA ASP A 24 -3.948 -10.587 -8.136 1.00 0.00 C ATOM 323 C ASP A 24 -3.177 -9.591 -9.008 1.00 0.00 C ATOM 324 O ASP A 24 -2.063 -9.847 -9.419 1.00 0.00 O ATOM 325 CB ASP A 24 -5.444 -10.482 -8.442 1.00 0.00 C ATOM 326 CG ASP A 24 -6.057 -11.884 -8.474 1.00 0.00 C ATOM 327 OD1 ASP A 24 -5.457 -12.759 -9.078 1.00 0.00 O ATOM 328 OD2 ASP A 24 -7.116 -12.059 -7.894 1.00 0.00 O ATOM 0 H ASP A 24 -3.187 -11.018 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.597 -11.595 -8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.939 -9.874 -7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.596 -9.985 -9.400 1.00 0.00 H new ATOM 333 N ALA A 25 -3.769 -8.468 -9.311 1.00 0.00 N ATOM 334 CA ALA A 25 -3.076 -7.467 -10.177 1.00 0.00 C ATOM 335 C ALA A 25 -2.288 -6.474 -9.323 1.00 0.00 C ATOM 336 O ALA A 25 -2.365 -6.470 -8.110 1.00 0.00 O ATOM 337 CB ALA A 25 -4.120 -6.692 -10.991 1.00 0.00 C ATOM 0 H ALA A 25 -4.702 -8.199 -8.998 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.390 -7.996 -10.839 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.618 -5.961 -11.624 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.683 -7.386 -11.615 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.802 -6.178 -10.313 1.00 0.00 H new ATOM 343 N CYS A 26 -1.550 -5.612 -9.963 1.00 0.00 N ATOM 344 CA CYS A 26 -0.772 -4.579 -9.226 1.00 0.00 C ATOM 345 C CYS A 26 -1.442 -3.238 -9.490 1.00 0.00 C ATOM 346 O CYS A 26 -2.074 -3.056 -10.507 1.00 0.00 O ATOM 347 CB CYS A 26 0.668 -4.545 -9.742 1.00 0.00 C ATOM 348 SG CYS A 26 1.756 -3.901 -8.448 1.00 0.00 S ATOM 0 H CYS A 26 -1.452 -5.579 -10.978 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.749 -4.801 -8.159 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.985 -5.546 -10.034 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.732 -3.918 -10.632 1.00 0.00 H new ATOM 353 N LEU A 27 -1.342 -2.302 -8.596 1.00 0.00 N ATOM 354 CA LEU A 27 -2.019 -1.002 -8.849 1.00 0.00 C ATOM 355 C LEU A 27 -1.047 0.166 -8.706 1.00 0.00 C ATOM 356 O LEU A 27 -0.287 0.258 -7.763 1.00 0.00 O ATOM 357 CB LEU A 27 -3.174 -0.832 -7.863 1.00 0.00 C ATOM 358 CG LEU A 27 -3.809 0.547 -8.040 1.00 0.00 C ATOM 359 CD1 LEU A 27 -5.069 0.416 -8.897 1.00 0.00 C ATOM 360 CD2 LEU A 27 -4.178 1.117 -6.668 1.00 0.00 C ATOM 0 H LEU A 27 -0.832 -2.375 -7.716 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.397 -1.005 -9.871 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.920 -1.609 -8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.812 -0.947 -6.841 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.103 1.216 -8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.525 1.398 -9.026 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.805 0.008 -9.873 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.776 -0.251 -8.404 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.631 2.101 -6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.887 0.451 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.279 1.206 -6.057 1.00 0.00 H new ATOM 372 N ILE A 28 -1.100 1.071 -9.641 1.00 0.00 N ATOM 373 CA ILE A 28 -0.224 2.269 -9.595 1.00 0.00 C ATOM 374 C ILE A 28 -1.092 3.488 -9.905 1.00 0.00 C ATOM 375 O ILE A 28 -1.292 3.848 -11.050 1.00 0.00 O ATOM 376 CB ILE A 28 0.893 2.134 -10.635 1.00 0.00 C ATOM 377 CG1 ILE A 28 1.537 3.502 -10.878 1.00 0.00 C ATOM 378 CG2 ILE A 28 0.311 1.604 -11.946 1.00 0.00 C ATOM 379 CD1 ILE A 28 2.288 3.942 -9.620 1.00 0.00 C ATOM 0 H ILE A 28 -1.724 1.029 -10.447 1.00 0.00 H new ATOM 0 HA ILE A 28 0.237 2.374 -8.613 1.00 0.00 H new ATOM 0 HB ILE A 28 1.647 1.439 -10.266 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.223 3.448 -11.724 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.772 4.236 -11.134 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.107 1.508 -12.685 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.144 0.628 -11.774 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.445 2.297 -12.315 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.747 4.916 -9.792 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.590 4.012 -8.785 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.063 3.212 -9.385 1.00 0.00 H new ATOM 391 N THR A 29 -1.636 4.105 -8.893 1.00 0.00 N ATOM 392 CA THR A 29 -2.519 5.282 -9.119 1.00 0.00 C ATOM 393 C THR A 29 -1.700 6.571 -9.007 1.00 0.00 C ATOM 394 O THR A 29 -0.742 6.648 -8.264 1.00 0.00 O ATOM 395 CB THR A 29 -3.638 5.269 -8.070 1.00 0.00 C ATOM 396 OG1 THR A 29 -4.634 4.335 -8.458 1.00 0.00 O ATOM 397 CG2 THR A 29 -4.265 6.659 -7.947 1.00 0.00 C ATOM 0 H THR A 29 -1.506 3.843 -7.916 1.00 0.00 H new ATOM 0 HA THR A 29 -2.956 5.235 -10.116 1.00 0.00 H new ATOM 0 HB THR A 29 -3.218 4.984 -7.105 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.136 4.690 -9.221 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.058 6.636 -7.199 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.502 7.377 -7.645 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.682 6.956 -8.909 1.00 0.00 H new ATOM 405 N LYS A 30 -2.073 7.583 -9.743 1.00 0.00 N ATOM 406 CA LYS A 30 -1.320 8.868 -9.683 1.00 0.00 C ATOM 407 C LYS A 30 -2.302 10.025 -9.491 1.00 0.00 C ATOM 408 O LYS A 30 -3.085 10.339 -10.365 1.00 0.00 O ATOM 409 CB LYS A 30 -0.550 9.067 -10.990 1.00 0.00 C ATOM 410 CG LYS A 30 0.514 10.150 -10.799 1.00 0.00 C ATOM 411 CD LYS A 30 0.735 10.889 -12.121 1.00 0.00 C ATOM 412 CE LYS A 30 0.389 12.369 -11.943 1.00 0.00 C ATOM 413 NZ LYS A 30 -0.343 12.856 -13.146 1.00 0.00 N ATOM 0 H LYS A 30 -2.867 7.575 -10.383 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.620 8.842 -8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.081 8.131 -11.293 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.235 9.353 -11.788 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.199 10.852 -10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.448 9.701 -10.461 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.772 10.783 -12.440 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.114 10.451 -12.903 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.223 12.506 -11.052 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.299 12.951 -11.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.578 13.862 -13.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.256 12.739 -13.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.218 12.307 -13.265 1.00 0.00 H new ATOM 427 N ALA A 31 -2.266 10.664 -8.354 1.00 0.00 N ATOM 428 CA ALA A 31 -3.196 11.802 -8.109 1.00 0.00 C ATOM 429 C ALA A 31 -2.386 13.063 -7.800 1.00 0.00 C ATOM 430 O ALA A 31 -2.304 13.499 -6.670 1.00 0.00 O ATOM 431 CB ALA A 31 -4.102 11.476 -6.920 1.00 0.00 C ATOM 0 H ALA A 31 -1.633 10.447 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.807 11.968 -8.996 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.782 12.309 -6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.679 10.577 -7.138 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.492 11.309 -6.032 1.00 0.00 H new ATOM 437 N GLY A 32 -1.785 13.651 -8.799 1.00 0.00 N ATOM 438 CA GLY A 32 -0.980 14.883 -8.563 1.00 0.00 C ATOM 439 C GLY A 32 0.443 14.493 -8.163 1.00 0.00 C ATOM 440 O GLY A 32 1.134 13.804 -8.886 1.00 0.00 O ATOM 0 H GLY A 32 -1.817 13.332 -9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.961 15.496 -9.464 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.438 15.485 -7.778 1.00 0.00 H new ATOM 444 N LEU A 33 0.887 14.927 -7.015 1.00 0.00 N ATOM 445 CA LEU A 33 2.265 14.579 -6.569 1.00 0.00 C ATOM 446 C LEU A 33 2.199 13.434 -5.555 1.00 0.00 C ATOM 447 O LEU A 33 3.210 12.953 -5.081 1.00 0.00 O ATOM 448 CB LEU A 33 2.913 15.802 -5.917 1.00 0.00 C ATOM 449 CG LEU A 33 4.039 16.321 -6.812 1.00 0.00 C ATOM 450 CD1 LEU A 33 5.146 15.269 -6.901 1.00 0.00 C ATOM 451 CD2 LEU A 33 3.488 16.599 -8.213 1.00 0.00 C ATOM 0 H LEU A 33 0.355 15.508 -6.367 1.00 0.00 H new ATOM 0 HA LEU A 33 2.858 14.268 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.168 16.582 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.307 15.538 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 33 4.444 17.241 -6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.949 15.639 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.538 15.068 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.741 14.349 -7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.289 16.969 -8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.084 15.679 -8.634 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.698 17.348 -8.151 1.00 0.00 H new ATOM 463 N GLN A 34 1.017 12.993 -5.216 1.00 0.00 N ATOM 464 CA GLN A 34 0.890 11.881 -4.234 1.00 0.00 C ATOM 465 C GLN A 34 0.612 10.572 -4.977 1.00 0.00 C ATOM 466 O GLN A 34 -0.505 10.290 -5.360 1.00 0.00 O ATOM 467 CB GLN A 34 -0.269 12.179 -3.278 1.00 0.00 C ATOM 468 CG GLN A 34 -1.461 12.712 -4.076 1.00 0.00 C ATOM 469 CD GLN A 34 -2.729 12.615 -3.226 1.00 0.00 C ATOM 470 OE1 GLN A 34 -3.801 12.363 -3.741 1.00 0.00 O ATOM 471 NE2 GLN A 34 -2.653 12.805 -1.937 1.00 0.00 N ATOM 0 H GLN A 34 0.135 13.356 -5.577 1.00 0.00 H new ATOM 0 HA GLN A 34 1.817 11.787 -3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.553 11.275 -2.740 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.040 12.911 -2.532 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.284 13.747 -4.367 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.582 12.139 -4.995 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.754 13.016 -1.505 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.493 12.742 -1.362 1.00 0.00 H new ATOM 480 N VAL A 35 1.622 9.771 -5.185 1.00 0.00 N ATOM 481 CA VAL A 35 1.417 8.481 -5.905 1.00 0.00 C ATOM 482 C VAL A 35 0.775 7.464 -4.958 1.00 0.00 C ATOM 483 O VAL A 35 0.710 7.671 -3.763 1.00 0.00 O ATOM 484 CB VAL A 35 2.767 7.946 -6.389 1.00 0.00 C ATOM 485 CG1 VAL A 35 2.561 6.624 -7.129 1.00 0.00 C ATOM 486 CG2 VAL A 35 3.407 8.964 -7.336 1.00 0.00 C ATOM 0 H VAL A 35 2.580 9.954 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 35 0.763 8.643 -6.761 1.00 0.00 H new ATOM 0 HB VAL A 35 3.420 7.782 -5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.524 6.245 -7.472 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.105 5.898 -6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.908 6.785 -7.986 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.369 8.585 -7.682 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.752 9.127 -8.192 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.557 9.907 -6.810 1.00 0.00 H new ATOM 496 N TYR A 36 0.302 6.366 -5.482 1.00 0.00 N ATOM 497 CA TYR A 36 -0.337 5.340 -4.610 1.00 0.00 C ATOM 498 C TYR A 36 0.128 3.943 -5.032 1.00 0.00 C ATOM 499 O TYR A 36 -0.464 3.315 -5.887 1.00 0.00 O ATOM 500 CB TYR A 36 -1.857 5.428 -4.751 1.00 0.00 C ATOM 501 CG TYR A 36 -2.384 6.550 -3.890 1.00 0.00 C ATOM 502 CD1 TYR A 36 -2.383 7.863 -4.374 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.875 6.277 -2.608 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.874 8.904 -3.578 1.00 0.00 C ATOM 505 CE2 TYR A 36 -3.367 7.319 -1.810 1.00 0.00 C ATOM 506 CZ TYR A 36 -3.366 8.632 -2.296 1.00 0.00 C ATOM 507 OH TYR A 36 -3.850 9.659 -1.511 1.00 0.00 O ATOM 0 H TYR A 36 0.330 6.135 -6.475 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.052 5.521 -3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.126 5.600 -5.793 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.315 4.484 -4.455 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.003 8.073 -5.363 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.875 5.264 -2.234 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.873 9.917 -3.953 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.747 7.109 -0.821 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.154 9.299 -0.652 1.00 0.00 H new ATOM 517 N ASN A 37 1.179 3.451 -4.437 1.00 0.00 N ATOM 518 CA ASN A 37 1.673 2.092 -4.802 1.00 0.00 C ATOM 519 C ASN A 37 1.019 1.056 -3.887 1.00 0.00 C ATOM 520 O ASN A 37 1.277 1.014 -2.700 1.00 0.00 O ATOM 521 CB ASN A 37 3.193 2.037 -4.632 1.00 0.00 C ATOM 522 CG ASN A 37 3.824 3.280 -5.263 1.00 0.00 C ATOM 523 OD1 ASN A 37 3.996 3.345 -6.464 1.00 0.00 O ATOM 524 ND2 ASN A 37 4.181 4.274 -4.497 1.00 0.00 N ATOM 0 H ASN A 37 1.717 3.930 -3.715 1.00 0.00 H new ATOM 0 HA ASN A 37 1.418 1.877 -5.840 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.449 1.984 -3.574 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.590 1.137 -5.102 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.605 5.107 -4.906 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.036 4.219 -3.489 1.00 0.00 H new ATOM 531 N LYS A 38 0.167 0.225 -4.424 1.00 0.00 N ATOM 532 CA LYS A 38 -0.507 -0.798 -3.575 1.00 0.00 C ATOM 533 C LYS A 38 -0.971 -1.973 -4.438 1.00 0.00 C ATOM 534 O LYS A 38 -1.186 -1.841 -5.626 1.00 0.00 O ATOM 535 CB LYS A 38 -1.720 -0.164 -2.892 1.00 0.00 C ATOM 536 CG LYS A 38 -1.516 -0.161 -1.377 1.00 0.00 C ATOM 537 CD LYS A 38 -2.818 0.248 -0.687 1.00 0.00 C ATOM 538 CE LYS A 38 -2.860 1.770 -0.538 1.00 0.00 C ATOM 539 NZ LYS A 38 -3.510 2.125 0.754 1.00 0.00 N ATOM 0 H LYS A 38 -0.091 0.210 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 38 0.196 -1.161 -2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.860 0.855 -3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.623 -0.719 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.208 -1.151 -1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.717 0.530 -1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.674 -0.095 -1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.888 -0.226 0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.850 2.177 -0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.411 2.212 -1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.539 3.160 0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.479 1.749 0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.967 1.715 1.540 1.00 0.00 H new ATOM 553 N CYS A 39 -1.136 -3.119 -3.838 1.00 0.00 N ATOM 554 CA CYS A 39 -1.599 -4.310 -4.606 1.00 0.00 C ATOM 555 C CYS A 39 -3.096 -4.163 -4.882 1.00 0.00 C ATOM 556 O CYS A 39 -3.818 -3.563 -4.109 1.00 0.00 O ATOM 557 CB CYS A 39 -1.347 -5.577 -3.783 1.00 0.00 C ATOM 558 SG CYS A 39 0.003 -6.524 -4.528 1.00 0.00 S ATOM 0 H CYS A 39 -0.970 -3.283 -2.845 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.055 -4.383 -5.548 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.096 -5.312 -2.756 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.252 -6.183 -3.743 1.00 0.00 H new ATOM 563 N TRP A 40 -3.572 -4.679 -5.980 1.00 0.00 N ATOM 564 CA TRP A 40 -5.011 -4.534 -6.297 1.00 0.00 C ATOM 565 C TRP A 40 -5.460 -5.669 -7.220 1.00 0.00 C ATOM 566 O TRP A 40 -4.660 -6.296 -7.884 1.00 0.00 O ATOM 567 CB TRP A 40 -5.199 -3.197 -6.997 1.00 0.00 C ATOM 568 CG TRP A 40 -6.575 -2.693 -6.767 1.00 0.00 C ATOM 569 CD1 TRP A 40 -7.661 -3.072 -7.468 1.00 0.00 C ATOM 570 CD2 TRP A 40 -7.029 -1.724 -5.785 1.00 0.00 C ATOM 571 NE1 TRP A 40 -8.762 -2.386 -6.983 1.00 0.00 N ATOM 572 CE2 TRP A 40 -8.421 -1.545 -5.939 1.00 0.00 C ATOM 573 CE3 TRP A 40 -6.367 -0.990 -4.786 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -9.137 -0.664 -5.127 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -7.082 -0.104 -3.965 1.00 0.00 C ATOM 576 CH2 TRP A 40 -8.465 0.058 -4.135 1.00 0.00 C ATOM 0 H TRP A 40 -3.024 -5.194 -6.669 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.607 -4.576 -5.385 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.472 -2.476 -6.623 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.018 -3.308 -8.066 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.671 -3.791 -8.274 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.708 -2.488 -7.350 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -5.302 -1.108 -4.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.201 -0.541 -5.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.565 0.455 -3.199 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -9.011 0.740 -3.500 1.00 0.00 H new ATOM 587 N LYS A 41 -6.735 -5.939 -7.271 1.00 0.00 N ATOM 588 CA LYS A 41 -7.227 -7.033 -8.157 1.00 0.00 C ATOM 589 C LYS A 41 -7.476 -6.476 -9.560 1.00 0.00 C ATOM 590 O LYS A 41 -7.710 -5.297 -9.737 1.00 0.00 O ATOM 591 CB LYS A 41 -8.532 -7.600 -7.592 1.00 0.00 C ATOM 592 CG LYS A 41 -8.266 -8.217 -6.217 1.00 0.00 C ATOM 593 CD LYS A 41 -8.025 -9.721 -6.370 1.00 0.00 C ATOM 594 CE LYS A 41 -6.850 -10.144 -5.485 1.00 0.00 C ATOM 595 NZ LYS A 41 -7.362 -10.910 -4.314 1.00 0.00 N ATOM 0 H LYS A 41 -7.456 -5.451 -6.739 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.480 -7.825 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.279 -6.810 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.937 -8.353 -8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.399 -7.744 -5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.115 -8.039 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.922 -10.274 -6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.814 -9.962 -7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.152 -10.756 -6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.301 -9.265 -5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.610 -11.528 -3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.660 -10.248 -3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.174 -11.490 -4.607 1.00 0.00 H new ATOM 609 N PHE A 42 -7.426 -7.312 -10.559 1.00 0.00 N ATOM 610 CA PHE A 42 -7.660 -6.824 -11.944 1.00 0.00 C ATOM 611 C PHE A 42 -9.163 -6.687 -12.179 1.00 0.00 C ATOM 612 O PHE A 42 -9.600 -6.052 -13.119 1.00 0.00 O ATOM 613 CB PHE A 42 -7.070 -7.819 -12.946 1.00 0.00 C ATOM 614 CG PHE A 42 -6.851 -7.127 -14.271 1.00 0.00 C ATOM 615 CD1 PHE A 42 -7.927 -6.927 -15.144 1.00 0.00 C ATOM 616 CD2 PHE A 42 -5.571 -6.686 -14.626 1.00 0.00 C ATOM 617 CE1 PHE A 42 -7.724 -6.286 -16.371 1.00 0.00 C ATOM 618 CE2 PHE A 42 -5.366 -6.044 -15.854 1.00 0.00 C ATOM 619 CZ PHE A 42 -6.442 -5.845 -16.727 1.00 0.00 C ATOM 0 H PHE A 42 -7.233 -8.310 -10.475 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.179 -5.855 -12.078 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.127 -8.215 -12.570 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.743 -8.667 -13.073 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.915 -7.268 -14.870 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.741 -6.841 -13.953 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.555 -6.131 -17.044 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.378 -5.703 -16.127 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.284 -5.352 -17.675 1.00 0.00 H new ATOM 629 N GLU A 43 -9.959 -7.273 -11.328 1.00 0.00 N ATOM 630 CA GLU A 43 -11.432 -7.165 -11.502 1.00 0.00 C ATOM 631 C GLU A 43 -11.921 -5.900 -10.797 1.00 0.00 C ATOM 632 O GLU A 43 -12.997 -5.402 -11.064 1.00 0.00 O ATOM 633 CB GLU A 43 -12.125 -8.390 -10.894 1.00 0.00 C ATOM 634 CG GLU A 43 -11.185 -9.597 -10.934 1.00 0.00 C ATOM 635 CD GLU A 43 -10.646 -9.782 -12.354 1.00 0.00 C ATOM 636 OE1 GLU A 43 -11.366 -9.467 -13.287 1.00 0.00 O ATOM 637 OE2 GLU A 43 -9.521 -10.238 -12.485 1.00 0.00 O ATOM 0 H GLU A 43 -9.653 -7.820 -10.523 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.670 -7.117 -12.565 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.416 -8.180 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.039 -8.612 -11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.360 -9.451 -10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.716 -10.494 -10.616 1.00 0.00 H new ATOM 644 N HIS A 44 -11.131 -5.374 -9.901 1.00 0.00 N ATOM 645 CA HIS A 44 -11.539 -4.138 -9.179 1.00 0.00 C ATOM 646 C HIS A 44 -10.859 -2.926 -9.822 1.00 0.00 C ATOM 647 O HIS A 44 -10.902 -1.830 -9.303 1.00 0.00 O ATOM 648 CB HIS A 44 -11.123 -4.243 -7.710 1.00 0.00 C ATOM 649 CG HIS A 44 -11.798 -5.431 -7.080 1.00 0.00 C ATOM 650 ND1 HIS A 44 -11.925 -5.567 -5.706 1.00 0.00 N ATOM 651 CD2 HIS A 44 -12.387 -6.545 -7.624 1.00 0.00 C ATOM 652 CE1 HIS A 44 -12.569 -6.727 -5.473 1.00 0.00 C ATOM 653 NE2 HIS A 44 -12.872 -7.362 -6.608 1.00 0.00 N ATOM 0 H HIS A 44 -10.219 -5.748 -9.638 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.621 -4.020 -9.239 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.040 -4.344 -7.634 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -11.396 -3.332 -7.178 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.462 -6.755 -8.681 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.811 -7.098 -4.488 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -13.355 -8.255 -6.708 1.00 0.00 H new ATOM 661 N CYS A 45 -10.233 -3.117 -10.952 1.00 0.00 N ATOM 662 CA CYS A 45 -9.553 -1.977 -11.633 1.00 0.00 C ATOM 663 C CYS A 45 -10.441 -1.463 -12.768 1.00 0.00 C ATOM 664 O CYS A 45 -10.195 -1.730 -13.927 1.00 0.00 O ATOM 665 CB CYS A 45 -8.219 -2.455 -12.210 1.00 0.00 C ATOM 666 SG CYS A 45 -6.865 -1.491 -11.493 1.00 0.00 S ATOM 0 H CYS A 45 -10.163 -4.014 -11.433 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.375 -1.175 -10.916 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.078 -3.514 -11.996 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.221 -2.347 -13.295 1.00 0.00 H new ATOM 671 N ASN A 46 -11.477 -0.735 -12.449 1.00 0.00 N ATOM 672 CA ASN A 46 -12.378 -0.218 -13.522 1.00 0.00 C ATOM 673 C ASN A 46 -12.643 1.276 -13.315 1.00 0.00 C ATOM 674 O ASN A 46 -13.729 1.760 -13.559 1.00 0.00 O ATOM 675 CB ASN A 46 -13.709 -0.975 -13.487 1.00 0.00 C ATOM 676 CG ASN A 46 -13.481 -2.397 -12.973 1.00 0.00 C ATOM 677 OD1 ASN A 46 -12.520 -3.042 -13.340 1.00 0.00 O ATOM 678 ND2 ASN A 46 -14.333 -2.917 -12.131 1.00 0.00 N ATOM 0 H ASN A 46 -11.738 -0.476 -11.498 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.895 -0.367 -14.488 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -14.417 -0.454 -12.843 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.148 -1.005 -14.484 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.191 -3.865 -11.782 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -15.140 -2.375 -11.823 1.00 0.00 H new ATOM 685 N PHE A 47 -11.663 2.013 -12.867 1.00 0.00 N ATOM 686 CA PHE A 47 -11.870 3.474 -12.649 1.00 0.00 C ATOM 687 C PHE A 47 -13.086 3.686 -11.746 1.00 0.00 C ATOM 688 O PHE A 47 -13.651 4.761 -11.690 1.00 0.00 O ATOM 689 CB PHE A 47 -12.114 4.163 -13.993 1.00 0.00 C ATOM 690 CG PHE A 47 -11.996 5.658 -13.820 1.00 0.00 C ATOM 691 CD1 PHE A 47 -10.933 6.198 -13.087 1.00 0.00 C ATOM 692 CD2 PHE A 47 -12.952 6.504 -14.393 1.00 0.00 C ATOM 693 CE1 PHE A 47 -10.826 7.585 -12.927 1.00 0.00 C ATOM 694 CE2 PHE A 47 -12.846 7.890 -14.234 1.00 0.00 C ATOM 695 CZ PHE A 47 -11.783 8.430 -13.501 1.00 0.00 C ATOM 0 H PHE A 47 -10.730 1.668 -12.643 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.984 3.898 -12.177 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.391 3.813 -14.730 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -13.104 3.907 -14.371 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.195 5.545 -12.645 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -13.772 6.087 -14.958 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.006 8.002 -12.361 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -13.584 8.543 -14.677 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.701 9.500 -13.378 1.00 0.00 H new ATOM 705 N ASN A 48 -13.489 2.670 -11.035 1.00 0.00 N ATOM 706 CA ASN A 48 -14.664 2.808 -10.131 1.00 0.00 C ATOM 707 C ASN A 48 -14.386 2.021 -8.852 1.00 0.00 C ATOM 708 O ASN A 48 -14.567 2.513 -7.756 1.00 0.00 O ATOM 709 CB ASN A 48 -15.910 2.246 -10.821 1.00 0.00 C ATOM 710 CG ASN A 48 -17.069 3.234 -10.666 1.00 0.00 C ATOM 711 OD1 ASN A 48 -17.052 4.303 -11.241 1.00 0.00 O ATOM 712 ND2 ASN A 48 -18.083 2.915 -9.909 1.00 0.00 N ATOM 0 H ASN A 48 -13.054 1.748 -11.041 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.834 3.858 -9.894 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.706 2.071 -11.877 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.178 1.284 -10.385 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.862 3.564 -9.800 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -18.096 2.017 -9.426 1.00 0.00 H new ATOM 719 N ASP A 49 -13.930 0.806 -8.986 1.00 0.00 N ATOM 720 CA ASP A 49 -13.622 -0.009 -7.780 1.00 0.00 C ATOM 721 C ASP A 49 -12.365 0.553 -7.112 1.00 0.00 C ATOM 722 O ASP A 49 -12.024 0.195 -6.002 1.00 0.00 O ATOM 723 CB ASP A 49 -13.378 -1.463 -8.195 1.00 0.00 C ATOM 724 CG ASP A 49 -14.580 -2.320 -7.792 1.00 0.00 C ATOM 725 OD1 ASP A 49 -15.011 -2.206 -6.657 1.00 0.00 O ATOM 726 OD2 ASP A 49 -15.050 -3.076 -8.627 1.00 0.00 O ATOM 0 H ASP A 49 -13.758 0.344 -9.879 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.459 0.028 -7.082 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.220 -1.523 -9.272 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.473 -1.841 -7.719 1.00 0.00 H new ATOM 731 N VAL A 50 -11.672 1.435 -7.785 1.00 0.00 N ATOM 732 CA VAL A 50 -10.437 2.028 -7.199 1.00 0.00 C ATOM 733 C VAL A 50 -10.703 3.486 -6.817 1.00 0.00 C ATOM 734 O VAL A 50 -10.276 3.953 -5.781 1.00 0.00 O ATOM 735 CB VAL A 50 -9.310 1.970 -8.232 1.00 0.00 C ATOM 736 CG1 VAL A 50 -8.041 2.584 -7.638 1.00 0.00 C ATOM 737 CG2 VAL A 50 -9.040 0.512 -8.607 1.00 0.00 C ATOM 0 H VAL A 50 -11.911 1.770 -8.718 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.148 1.467 -6.310 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.603 2.528 -9.121 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.238 2.543 -8.374 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.232 3.622 -7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.748 2.025 -6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.237 0.468 -9.343 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.747 -0.044 -7.717 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.943 0.072 -9.029 1.00 0.00 H new ATOM 747 N THR A 51 -11.405 4.210 -7.647 1.00 0.00 N ATOM 748 CA THR A 51 -11.696 5.639 -7.324 1.00 0.00 C ATOM 749 C THR A 51 -12.610 5.706 -6.101 1.00 0.00 C ATOM 750 O THR A 51 -12.648 6.694 -5.394 1.00 0.00 O ATOM 751 CB THR A 51 -12.386 6.316 -8.514 1.00 0.00 C ATOM 752 OG1 THR A 51 -12.623 5.359 -9.537 1.00 0.00 O ATOM 753 CG2 THR A 51 -11.492 7.434 -9.054 1.00 0.00 C ATOM 0 H THR A 51 -11.789 3.877 -8.531 1.00 0.00 H new ATOM 0 HA THR A 51 -10.760 6.156 -7.113 1.00 0.00 H new ATOM 0 HB THR A 51 -13.337 6.737 -8.189 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.293 5.707 -10.161 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.982 7.915 -9.900 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.316 8.170 -8.270 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.540 7.014 -9.378 1.00 0.00 H new ATOM 761 N THR A 52 -13.350 4.662 -5.845 1.00 0.00 N ATOM 762 CA THR A 52 -14.263 4.663 -4.669 1.00 0.00 C ATOM 763 C THR A 52 -13.569 3.980 -3.489 1.00 0.00 C ATOM 764 O THR A 52 -13.662 4.422 -2.362 1.00 0.00 O ATOM 765 CB THR A 52 -15.541 3.902 -5.022 1.00 0.00 C ATOM 766 OG1 THR A 52 -15.822 4.071 -6.405 1.00 0.00 O ATOM 767 CG2 THR A 52 -16.702 4.446 -4.193 1.00 0.00 C ATOM 0 H THR A 52 -13.361 3.807 -6.401 1.00 0.00 H new ATOM 0 HA THR A 52 -14.514 5.689 -4.398 1.00 0.00 H new ATOM 0 HB THR A 52 -15.408 2.842 -4.805 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.629 3.237 -6.882 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.614 3.904 -4.444 1.00 0.00 H new ATOM 0 HG22 THR A 52 -16.484 4.317 -3.133 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.839 5.506 -4.409 1.00 0.00 H new ATOM 775 N ARG A 53 -12.871 2.906 -3.739 1.00 0.00 N ATOM 776 CA ARG A 53 -12.169 2.202 -2.630 1.00 0.00 C ATOM 777 C ARG A 53 -11.169 3.160 -1.985 1.00 0.00 C ATOM 778 O ARG A 53 -10.955 3.141 -0.789 1.00 0.00 O ATOM 779 CB ARG A 53 -11.428 0.985 -3.187 1.00 0.00 C ATOM 780 CG ARG A 53 -12.410 -0.176 -3.361 1.00 0.00 C ATOM 781 CD ARG A 53 -12.657 -0.845 -2.008 1.00 0.00 C ATOM 782 NE ARG A 53 -12.166 -2.251 -2.053 1.00 0.00 N ATOM 783 CZ ARG A 53 -12.599 -3.121 -1.182 1.00 0.00 C ATOM 784 NH1 ARG A 53 -13.792 -3.634 -1.312 1.00 0.00 N ATOM 785 NH2 ARG A 53 -11.840 -3.476 -0.181 1.00 0.00 N ATOM 0 H ARG A 53 -12.757 2.487 -4.662 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.893 1.872 -1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.968 1.233 -4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.623 0.696 -2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.350 0.188 -3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.010 -0.901 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.145 -0.295 -1.219 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.721 -0.827 -1.770 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.492 -2.533 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.385 -3.355 -2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.132 -4.314 -0.632 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.908 -3.073 -0.080 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.179 -4.156 0.500 1.00 0.00 H new ATOM 799 N LEU A 54 -10.555 4.001 -2.772 1.00 0.00 N ATOM 800 CA LEU A 54 -9.570 4.963 -2.212 1.00 0.00 C ATOM 801 C LEU A 54 -10.280 6.274 -1.863 1.00 0.00 C ATOM 802 O LEU A 54 -9.723 7.140 -1.217 1.00 0.00 O ATOM 803 CB LEU A 54 -8.486 5.230 -3.253 1.00 0.00 C ATOM 804 CG LEU A 54 -7.871 3.901 -3.691 1.00 0.00 C ATOM 805 CD1 LEU A 54 -7.040 4.113 -4.956 1.00 0.00 C ATOM 806 CD2 LEU A 54 -6.973 3.363 -2.575 1.00 0.00 C ATOM 0 H LEU A 54 -10.695 4.062 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.119 4.547 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.910 5.749 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.717 5.880 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.666 3.184 -3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.602 3.164 -5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.679 4.496 -5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.245 4.830 -4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.534 2.415 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.179 4.081 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.566 3.209 -1.673 1.00 0.00 H new ATOM 818 N ARG A 55 -11.506 6.425 -2.282 1.00 0.00 N ATOM 819 CA ARG A 55 -12.254 7.675 -1.974 1.00 0.00 C ATOM 820 C ARG A 55 -11.601 8.855 -2.700 1.00 0.00 C ATOM 821 O ARG A 55 -11.528 9.952 -2.181 1.00 0.00 O ATOM 822 CB ARG A 55 -12.233 7.925 -0.465 1.00 0.00 C ATOM 823 CG ARG A 55 -13.590 7.543 0.133 1.00 0.00 C ATOM 824 CD ARG A 55 -13.403 7.086 1.581 1.00 0.00 C ATOM 825 NE ARG A 55 -12.489 8.029 2.289 1.00 0.00 N ATOM 826 CZ ARG A 55 -11.608 7.571 3.136 1.00 0.00 C ATOM 827 NH1 ARG A 55 -10.565 6.917 2.704 1.00 0.00 N ATOM 828 NH2 ARG A 55 -11.770 7.767 4.417 1.00 0.00 N ATOM 0 H ARG A 55 -12.023 5.734 -2.826 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.286 7.572 -2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.440 7.340 0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.016 8.974 -0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.268 8.395 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.046 6.746 -0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.367 7.048 2.088 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.991 6.077 1.604 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.553 9.031 2.111 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.438 6.763 1.704 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.877 6.559 3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.585 8.278 4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.081 7.409 5.079 1.00 0.00 H new ATOM 842 N GLU A 56 -11.129 8.640 -3.897 1.00 0.00 N ATOM 843 CA GLU A 56 -10.484 9.748 -4.656 1.00 0.00 C ATOM 844 C GLU A 56 -11.231 9.962 -5.974 1.00 0.00 C ATOM 845 O GLU A 56 -11.829 9.052 -6.514 1.00 0.00 O ATOM 846 CB GLU A 56 -9.026 9.384 -4.950 1.00 0.00 C ATOM 847 CG GLU A 56 -8.250 10.648 -5.331 1.00 0.00 C ATOM 848 CD GLU A 56 -7.298 11.024 -4.195 1.00 0.00 C ATOM 849 OE1 GLU A 56 -7.762 11.597 -3.224 1.00 0.00 O ATOM 850 OE2 GLU A 56 -6.119 10.731 -4.316 1.00 0.00 O ATOM 0 H GLU A 56 -11.162 7.744 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.518 10.663 -4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.573 8.917 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.978 8.657 -5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.688 10.480 -6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.942 11.467 -5.526 1.00 0.00 H new ATOM 857 N ASN A 57 -11.204 11.158 -6.497 1.00 0.00 N ATOM 858 CA ASN A 57 -11.914 11.426 -7.779 1.00 0.00 C ATOM 859 C ASN A 57 -10.911 11.915 -8.826 1.00 0.00 C ATOM 860 O ASN A 57 -11.044 11.644 -10.002 1.00 0.00 O ATOM 861 CB ASN A 57 -12.982 12.499 -7.558 1.00 0.00 C ATOM 862 CG ASN A 57 -13.772 12.181 -6.287 1.00 0.00 C ATOM 863 OD1 ASN A 57 -14.212 13.076 -5.592 1.00 0.00 O ATOM 864 ND2 ASN A 57 -13.973 10.936 -5.952 1.00 0.00 N ATOM 0 H ASN A 57 -10.721 11.960 -6.092 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.387 10.509 -8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.514 13.480 -7.472 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.654 12.540 -8.415 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.499 10.714 -5.107 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.604 10.185 -6.535 1.00 0.00 H new ATOM 871 N GLU A 58 -9.906 12.636 -8.408 1.00 0.00 N ATOM 872 CA GLU A 58 -8.897 13.142 -9.380 1.00 0.00 C ATOM 873 C GLU A 58 -7.631 12.287 -9.291 1.00 0.00 C ATOM 874 O GLU A 58 -6.623 12.707 -8.759 1.00 0.00 O ATOM 875 CB GLU A 58 -8.552 14.597 -9.046 1.00 0.00 C ATOM 876 CG GLU A 58 -9.826 15.444 -9.079 1.00 0.00 C ATOM 877 CD GLU A 58 -9.452 16.927 -9.050 1.00 0.00 C ATOM 878 OE1 GLU A 58 -8.552 17.306 -9.783 1.00 0.00 O ATOM 879 OE2 GLU A 58 -10.070 17.659 -8.293 1.00 0.00 O ATOM 0 H GLU A 58 -9.741 12.896 -7.436 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.305 13.086 -10.389 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.089 14.655 -8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.827 14.984 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.401 15.220 -9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.460 15.201 -8.226 1.00 0.00 H new ATOM 886 N LEU A 59 -7.674 11.088 -9.808 1.00 0.00 N ATOM 887 CA LEU A 59 -6.471 10.212 -9.749 1.00 0.00 C ATOM 888 C LEU A 59 -6.586 9.100 -10.794 1.00 0.00 C ATOM 889 O LEU A 59 -7.648 8.562 -11.032 1.00 0.00 O ATOM 890 CB LEU A 59 -6.324 9.610 -8.337 1.00 0.00 C ATOM 891 CG LEU A 59 -7.454 8.610 -8.025 1.00 0.00 C ATOM 892 CD1 LEU A 59 -8.811 9.192 -8.424 1.00 0.00 C ATOM 893 CD2 LEU A 59 -7.212 7.300 -8.780 1.00 0.00 C ATOM 0 H LEU A 59 -8.488 10.679 -10.267 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.584 10.807 -9.967 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.360 9.108 -8.254 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.331 10.410 -7.597 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.459 8.415 -6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.597 8.472 -8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.990 10.112 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.815 9.407 -9.493 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.014 6.597 -8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.191 7.496 -9.852 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.258 6.873 -8.471 1.00 0.00 H new ATOM 905 N THR A 60 -5.495 8.755 -11.421 1.00 0.00 N ATOM 906 CA THR A 60 -5.536 7.681 -12.451 1.00 0.00 C ATOM 907 C THR A 60 -5.298 6.327 -11.781 1.00 0.00 C ATOM 908 O THR A 60 -4.976 6.249 -10.612 1.00 0.00 O ATOM 909 CB THR A 60 -4.443 7.935 -13.493 1.00 0.00 C ATOM 910 OG1 THR A 60 -3.939 9.254 -13.334 1.00 0.00 O ATOM 911 CG2 THR A 60 -5.026 7.774 -14.897 1.00 0.00 C ATOM 0 H THR A 60 -4.577 9.171 -11.264 1.00 0.00 H new ATOM 0 HA THR A 60 -6.510 7.679 -12.939 1.00 0.00 H new ATOM 0 HB THR A 60 -3.634 7.217 -13.355 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.238 9.419 -13.999 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.247 7.955 -15.637 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.412 6.762 -15.017 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.835 8.490 -15.039 1.00 0.00 H new ATOM 919 N TYR A 61 -5.455 5.259 -12.510 1.00 0.00 N ATOM 920 CA TYR A 61 -5.239 3.913 -11.910 1.00 0.00 C ATOM 921 C TYR A 61 -4.787 2.939 -13.001 1.00 0.00 C ATOM 922 O TYR A 61 -5.520 2.643 -13.923 1.00 0.00 O ATOM 923 CB TYR A 61 -6.548 3.413 -11.295 1.00 0.00 C ATOM 924 CG TYR A 61 -7.529 3.098 -12.398 1.00 0.00 C ATOM 925 CD1 TYR A 61 -8.243 4.132 -13.013 1.00 0.00 C ATOM 926 CD2 TYR A 61 -7.722 1.773 -12.807 1.00 0.00 C ATOM 927 CE1 TYR A 61 -9.150 3.842 -14.038 1.00 0.00 C ATOM 928 CE2 TYR A 61 -8.629 1.482 -13.833 1.00 0.00 C ATOM 929 CZ TYR A 61 -9.344 2.517 -14.449 1.00 0.00 C ATOM 930 OH TYR A 61 -10.237 2.231 -15.460 1.00 0.00 O ATOM 0 H TYR A 61 -5.723 5.259 -13.494 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.474 3.977 -11.136 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.364 2.524 -10.692 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.963 4.170 -10.629 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.094 5.154 -12.697 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.171 0.975 -12.331 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.701 4.640 -14.513 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.777 0.460 -14.149 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.249 1.265 -15.622 1.00 0.00 H new ATOM 940 N TYR A 62 -3.587 2.436 -12.906 1.00 0.00 N ATOM 941 CA TYR A 62 -3.105 1.482 -13.943 1.00 0.00 C ATOM 942 C TYR A 62 -2.839 0.121 -13.296 1.00 0.00 C ATOM 943 O TYR A 62 -1.980 -0.014 -12.448 1.00 0.00 O ATOM 944 CB TYR A 62 -1.813 2.013 -14.568 1.00 0.00 C ATOM 945 CG TYR A 62 -1.456 1.172 -15.772 1.00 0.00 C ATOM 946 CD1 TYR A 62 -0.948 -0.121 -15.597 1.00 0.00 C ATOM 947 CD2 TYR A 62 -1.632 1.687 -17.061 1.00 0.00 C ATOM 948 CE1 TYR A 62 -0.617 -0.899 -16.712 1.00 0.00 C ATOM 949 CE2 TYR A 62 -1.302 0.908 -18.177 1.00 0.00 C ATOM 950 CZ TYR A 62 -0.793 -0.385 -18.002 1.00 0.00 C ATOM 951 OH TYR A 62 -0.467 -1.154 -19.102 1.00 0.00 O ATOM 0 H TYR A 62 -2.923 2.643 -12.160 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.863 1.375 -14.719 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.940 3.055 -14.863 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.004 1.985 -13.838 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.812 -0.518 -14.602 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.022 2.685 -17.195 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.226 -1.896 -16.577 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.440 1.304 -19.172 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.651 -0.648 -19.921 1.00 0.00 H new ATOM 961 N CYS A 63 -3.571 -0.889 -13.685 1.00 0.00 N ATOM 962 CA CYS A 63 -3.356 -2.233 -13.088 1.00 0.00 C ATOM 963 C CYS A 63 -2.383 -3.031 -13.959 1.00 0.00 C ATOM 964 O CYS A 63 -2.591 -3.198 -15.143 1.00 0.00 O ATOM 965 CB CYS A 63 -4.693 -2.972 -12.998 1.00 0.00 C ATOM 966 SG CYS A 63 -5.352 -2.819 -11.319 1.00 0.00 S ATOM 0 H CYS A 63 -4.307 -0.839 -14.390 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.936 -2.123 -12.088 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.399 -2.557 -13.717 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.558 -4.023 -13.253 1.00 0.00 H new ATOM 971 N CYS A 64 -1.323 -3.524 -13.380 1.00 0.00 N ATOM 972 CA CYS A 64 -0.337 -4.312 -14.177 1.00 0.00 C ATOM 973 C CYS A 64 -0.326 -5.762 -13.689 1.00 0.00 C ATOM 974 O CYS A 64 -1.178 -6.177 -12.929 1.00 0.00 O ATOM 975 CB CYS A 64 1.060 -3.704 -14.011 1.00 0.00 C ATOM 976 SG CYS A 64 1.993 -3.910 -15.550 1.00 0.00 S ATOM 0 H CYS A 64 -1.096 -3.416 -12.391 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.620 -4.287 -15.229 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.981 -2.646 -13.760 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.584 -4.189 -13.187 1.00 0.00 H new ATOM 981 N LYS A 65 0.632 -6.536 -14.119 1.00 0.00 N ATOM 982 CA LYS A 65 0.696 -7.958 -13.680 1.00 0.00 C ATOM 983 C LYS A 65 2.114 -8.493 -13.885 1.00 0.00 C ATOM 984 O LYS A 65 2.311 -9.631 -14.260 1.00 0.00 O ATOM 985 CB LYS A 65 -0.288 -8.791 -14.503 1.00 0.00 C ATOM 986 CG LYS A 65 -0.698 -10.031 -13.708 1.00 0.00 C ATOM 987 CD LYS A 65 -0.791 -11.232 -14.650 1.00 0.00 C ATOM 988 CE LYS A 65 -2.233 -11.391 -15.134 1.00 0.00 C ATOM 989 NZ LYS A 65 -2.240 -12.069 -16.461 1.00 0.00 N ATOM 0 H LYS A 65 1.374 -6.245 -14.756 1.00 0.00 H new ATOM 0 HA LYS A 65 0.433 -8.024 -12.624 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.168 -8.196 -14.748 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.170 -9.086 -15.447 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.029 -10.228 -12.921 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.658 -9.863 -13.220 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.124 -11.093 -15.501 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.467 -12.137 -14.136 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.808 -11.973 -14.413 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.712 -10.415 -15.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.221 -12.177 -16.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.706 -11.497 -17.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.799 -13.007 -16.374 1.00 0.00 H new ATOM 1003 N LYS A 66 3.104 -7.678 -13.642 1.00 0.00 N ATOM 1004 CA LYS A 66 4.510 -8.138 -13.823 1.00 0.00 C ATOM 1005 C LYS A 66 5.285 -7.937 -12.520 1.00 0.00 C ATOM 1006 O LYS A 66 4.763 -7.424 -11.549 1.00 0.00 O ATOM 1007 CB LYS A 66 5.174 -7.326 -14.936 1.00 0.00 C ATOM 1008 CG LYS A 66 5.339 -8.202 -16.179 1.00 0.00 C ATOM 1009 CD LYS A 66 4.151 -7.987 -17.115 1.00 0.00 C ATOM 1010 CE LYS A 66 4.374 -6.714 -17.935 1.00 0.00 C ATOM 1011 NZ LYS A 66 5.495 -6.934 -18.893 1.00 0.00 N ATOM 0 H LYS A 66 3.000 -6.714 -13.326 1.00 0.00 H new ATOM 0 HA LYS A 66 4.513 -9.195 -14.090 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.569 -6.451 -15.173 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.146 -6.961 -14.604 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.269 -7.954 -16.691 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.404 -9.251 -15.891 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.036 -8.845 -17.778 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.230 -7.905 -16.538 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.465 -6.452 -18.476 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.604 -5.878 -17.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.353 -6.341 -19.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.395 -6.680 -18.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.520 -7.935 -19.175 1.00 0.00 H new ATOM 1025 N ASP A 67 6.527 -8.334 -12.489 1.00 0.00 N ATOM 1026 CA ASP A 67 7.333 -8.162 -11.247 1.00 0.00 C ATOM 1027 C ASP A 67 7.723 -6.691 -11.093 1.00 0.00 C ATOM 1028 O ASP A 67 8.620 -6.205 -11.752 1.00 0.00 O ATOM 1029 CB ASP A 67 8.599 -9.019 -11.333 1.00 0.00 C ATOM 1030 CG ASP A 67 8.224 -10.497 -11.216 1.00 0.00 C ATOM 1031 OD1 ASP A 67 7.893 -10.919 -10.120 1.00 0.00 O ATOM 1032 OD2 ASP A 67 8.276 -11.182 -12.224 1.00 0.00 O ATOM 0 H ASP A 67 7.019 -8.770 -13.269 1.00 0.00 H new ATOM 0 HA ASP A 67 6.742 -8.475 -10.386 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.111 -8.837 -12.278 1.00 0.00 H new ATOM 0 HB3 ASP A 67 9.291 -8.745 -10.537 1.00 0.00 H new ATOM 1037 N LEU A 68 7.057 -5.979 -10.225 1.00 0.00 N ATOM 1038 CA LEU A 68 7.388 -4.543 -10.026 1.00 0.00 C ATOM 1039 C LEU A 68 7.053 -3.763 -11.300 1.00 0.00 C ATOM 1040 O LEU A 68 7.885 -3.074 -11.857 1.00 0.00 O ATOM 1041 CB LEU A 68 8.878 -4.402 -9.709 1.00 0.00 C ATOM 1042 CG LEU A 68 9.239 -5.332 -8.549 1.00 0.00 C ATOM 1043 CD1 LEU A 68 10.761 -5.448 -8.437 1.00 0.00 C ATOM 1044 CD2 LEU A 68 8.675 -4.764 -7.246 1.00 0.00 C ATOM 0 H LEU A 68 6.296 -6.333 -9.645 1.00 0.00 H new ATOM 0 HA LEU A 68 6.805 -4.145 -9.196 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.473 -4.650 -10.588 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.110 -3.369 -9.448 1.00 0.00 H new ATOM 0 HG LEU A 68 8.813 -6.319 -8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.016 -6.111 -7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.164 -5.854 -9.365 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.189 -4.462 -8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.932 -5.426 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.100 -3.777 -7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.591 -4.684 -7.323 1.00 0.00 H new ATOM 1056 N CYS A 69 5.836 -3.867 -11.762 1.00 0.00 N ATOM 1057 CA CYS A 69 5.436 -3.134 -12.996 1.00 0.00 C ATOM 1058 C CYS A 69 4.757 -1.818 -12.609 1.00 0.00 C ATOM 1059 O CYS A 69 4.407 -1.014 -13.451 1.00 0.00 O ATOM 1060 CB CYS A 69 4.460 -4.000 -13.799 1.00 0.00 C ATOM 1061 SG CYS A 69 3.777 -3.039 -15.173 1.00 0.00 S ATOM 0 H CYS A 69 5.100 -4.430 -11.336 1.00 0.00 H new ATOM 0 HA CYS A 69 6.317 -2.920 -13.600 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.972 -4.884 -14.180 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.655 -4.352 -13.153 1.00 0.00 H new ATOM 1066 N ASN A 70 4.563 -1.590 -11.338 1.00 0.00 N ATOM 1067 CA ASN A 70 3.902 -0.330 -10.897 1.00 0.00 C ATOM 1068 C ASN A 70 4.960 0.681 -10.450 1.00 0.00 C ATOM 1069 O ASN A 70 4.686 1.579 -9.677 1.00 0.00 O ATOM 1070 CB ASN A 70 2.965 -0.640 -9.730 1.00 0.00 C ATOM 1071 CG ASN A 70 1.706 -1.342 -10.249 1.00 0.00 C ATOM 1072 OD1 ASN A 70 0.739 -1.482 -9.530 1.00 0.00 O ATOM 1073 ND2 ASN A 70 1.674 -1.797 -11.475 1.00 0.00 N ATOM 0 H ASN A 70 4.834 -2.223 -10.586 1.00 0.00 H new ATOM 0 HA ASN A 70 3.333 0.093 -11.725 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.472 -1.274 -9.003 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.693 0.281 -9.215 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.838 -2.267 -11.823 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.485 -1.682 -12.083 1.00 0.00 H new ATOM 1080 N PHE A 71 6.165 0.547 -10.930 1.00 0.00 N ATOM 1081 CA PHE A 71 7.236 1.506 -10.530 1.00 0.00 C ATOM 1082 C PHE A 71 6.907 2.906 -11.062 1.00 0.00 C ATOM 1083 O PHE A 71 5.790 3.181 -11.456 1.00 0.00 O ATOM 1084 CB PHE A 71 8.584 1.035 -11.090 1.00 0.00 C ATOM 1085 CG PHE A 71 8.478 0.710 -12.568 1.00 0.00 C ATOM 1086 CD1 PHE A 71 7.326 1.041 -13.303 1.00 0.00 C ATOM 1087 CD2 PHE A 71 9.549 0.073 -13.208 1.00 0.00 C ATOM 1088 CE1 PHE A 71 7.255 0.733 -14.666 1.00 0.00 C ATOM 1089 CE2 PHE A 71 9.475 -0.232 -14.571 1.00 0.00 C ATOM 1090 CZ PHE A 71 8.327 0.097 -15.300 1.00 0.00 C ATOM 0 H PHE A 71 6.455 -0.183 -11.581 1.00 0.00 H new ATOM 0 HA PHE A 71 7.295 1.547 -9.442 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.335 1.810 -10.938 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.920 0.154 -10.544 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.497 1.532 -12.816 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.435 -0.184 -12.647 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.370 0.987 -15.230 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.304 -0.721 -15.061 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.269 -0.140 -16.352 1.00 0.00 H new ATOM 1100 N ASN A 72 7.865 3.792 -11.077 1.00 0.00 N ATOM 1101 CA ASN A 72 7.597 5.168 -11.584 1.00 0.00 C ATOM 1102 C ASN A 72 7.834 5.211 -13.096 1.00 0.00 C ATOM 1103 O ASN A 72 8.584 6.028 -13.593 1.00 0.00 O ATOM 1104 CB ASN A 72 8.536 6.160 -10.891 1.00 0.00 C ATOM 1105 CG ASN A 72 7.760 7.426 -10.523 1.00 0.00 C ATOM 1106 OD1 ASN A 72 8.178 8.522 -10.840 1.00 0.00 O ATOM 1107 ND2 ASN A 72 6.639 7.321 -9.863 1.00 0.00 N ATOM 0 H ASN A 72 8.820 3.623 -10.761 1.00 0.00 H new ATOM 0 HA ASN A 72 6.563 5.438 -11.371 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.962 5.709 -9.995 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.368 6.409 -11.549 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.114 8.159 -9.613 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.288 6.401 -9.597 1.00 0.00 H new ATOM 1114 N GLU A 73 7.201 4.339 -13.833 1.00 0.00 N ATOM 1115 CA GLU A 73 7.391 4.334 -15.311 1.00 0.00 C ATOM 1116 C GLU A 73 6.290 3.495 -15.966 1.00 0.00 C ATOM 1117 O GLU A 73 6.559 2.539 -16.666 1.00 0.00 O ATOM 1118 CB GLU A 73 8.757 3.731 -15.646 1.00 0.00 C ATOM 1119 CG GLU A 73 9.638 4.794 -16.307 1.00 0.00 C ATOM 1120 CD GLU A 73 11.109 4.397 -16.169 1.00 0.00 C ATOM 1121 OE1 GLU A 73 11.377 3.423 -15.485 1.00 0.00 O ATOM 1122 OE2 GLU A 73 11.942 5.074 -16.748 1.00 0.00 O ATOM 0 H GLU A 73 6.561 3.630 -13.475 1.00 0.00 H new ATOM 0 HA GLU A 73 7.341 5.356 -15.687 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.235 3.361 -14.739 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.636 2.878 -16.314 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.375 4.896 -17.360 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.467 5.764 -15.841 1.00 0.00 H new ATOM 1129 N GLN A 74 5.052 3.846 -15.744 1.00 0.00 N ATOM 1130 CA GLN A 74 3.937 3.068 -16.355 1.00 0.00 C ATOM 1131 C GLN A 74 2.677 3.937 -16.409 1.00 0.00 C ATOM 1132 O GLN A 74 1.690 3.654 -15.758 1.00 0.00 O ATOM 1133 CB GLN A 74 3.661 1.822 -15.509 1.00 0.00 C ATOM 1134 CG GLN A 74 3.224 0.672 -16.418 1.00 0.00 C ATOM 1135 CD GLN A 74 4.388 0.261 -17.320 1.00 0.00 C ATOM 1136 OE1 GLN A 74 5.386 -0.250 -16.849 1.00 0.00 O ATOM 1137 NE2 GLN A 74 4.305 0.464 -18.606 1.00 0.00 N ATOM 0 H GLN A 74 4.765 4.637 -15.167 1.00 0.00 H new ATOM 0 HA GLN A 74 4.215 2.768 -17.365 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.556 1.541 -14.955 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.884 2.034 -14.774 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.899 -0.177 -15.817 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.371 0.978 -17.024 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.468 0.893 -19.002 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.077 0.194 -19.216 1.00 0.00 H new ATOM 1146 N LEU A 75 2.700 4.991 -17.179 1.00 0.00 N ATOM 1147 CA LEU A 75 1.500 5.871 -17.270 1.00 0.00 C ATOM 1148 C LEU A 75 1.771 7.019 -18.246 1.00 0.00 C ATOM 1149 O LEU A 75 1.016 7.252 -19.167 1.00 0.00 O ATOM 1150 CB LEU A 75 1.186 6.446 -15.886 1.00 0.00 C ATOM 1151 CG LEU A 75 -0.326 6.626 -15.738 1.00 0.00 C ATOM 1152 CD1 LEU A 75 -0.936 5.357 -15.141 1.00 0.00 C ATOM 1153 CD2 LEU A 75 -0.609 7.812 -14.813 1.00 0.00 C ATOM 0 H LEU A 75 3.496 5.280 -17.748 1.00 0.00 H new ATOM 0 HA LEU A 75 0.652 5.287 -17.627 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.561 5.779 -15.110 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.691 7.403 -15.755 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.767 6.814 -16.717 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.013 5.486 -15.036 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.734 4.512 -15.799 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.496 5.168 -14.162 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.686 7.942 -14.707 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.168 7.623 -13.834 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.175 8.717 -15.238 1.00 0.00 H new