USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=16 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 2 GLN : amide:sc= -0.615 X(o=-2.4,f=-2.2!) USER MOD Set 1.2: A 18 ASN : amide:sc= -1.77 K(o=-2.4,f=-0.79) USER MOD Single : A 1 LEU N :NH3+ 140:sc= -0.209 (180deg=-1.23!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.5!) USER MOD Single : A 8 ASN : amide:sc= -0.0724 K(o=-0.072,f=-0.74) USER MOD Single : A 10 THR OG1 : rot 180:sc=-0.00381 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -68:sc= 0.819 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0255 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -150:sc= -2.52! (180deg=-3.02!) USER MOD Single : A 34 GLN : amide:sc= -2.12! C(o=-2.1!,f=-3!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.092 K(o=-0.092,f=-2.2!) USER MOD Single : A 38 LYS NZ :NH3+ -121:sc= 0.189 (180deg=-0.00588) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -4.12 K(o=-4.1,f=-5!) USER MOD Single : A 46 ASN : amide:sc= -0.581 K(o=-0.58,f=-2.3) USER MOD Single : A 48 ASN : amide:sc= -1.74 K(o=-1.7,f=-6.4!) USER MOD Single : A 51 THR OG1 : rot -107:sc= 0.914 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.56! K(o=-2.6!,f=-1.4) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0435 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 147:sc= -0.102 (180deg=-0.778) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -2.53! C(o=-2.5!,f=-11!) USER MOD Single : A 72 ASN : amide:sc= -0.01 X(o=-0.01,f=-0.14) USER MOD Single : A 74 GLN : amide:sc= -5.32! C(o=-5.3!,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.167 -11.746 -6.967 1.00 0.00 N ATOM 2 CA LEU A 1 4.661 -10.400 -7.372 1.00 0.00 C ATOM 3 C LEU A 1 4.758 -9.496 -6.139 1.00 0.00 C ATOM 4 O LEU A 1 3.762 -9.056 -5.600 1.00 0.00 O ATOM 5 CB LEU A 1 3.690 -9.786 -8.384 1.00 0.00 C ATOM 6 CG LEU A 1 2.295 -9.694 -7.763 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.922 -8.225 -7.565 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.277 -10.354 -8.695 1.00 0.00 C ATOM 0 H1 LEU A 1 3.496 -12.099 -7.679 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.970 -12.403 -6.893 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.689 -11.678 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 1 5.647 -10.496 -7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.034 -8.795 -8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.658 -10.394 -9.288 1.00 0.00 H new ATOM 0 HG LEU A 1 2.292 -10.205 -6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 1 0.928 -8.158 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.647 -7.752 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.925 -7.716 -8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.283 -10.289 -8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.280 -9.843 -9.658 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.542 -11.401 -8.839 1.00 0.00 H new ATOM 22 N GLN A 2 5.952 -9.214 -5.692 1.00 0.00 N ATOM 23 CA GLN A 2 6.121 -8.338 -4.498 1.00 0.00 C ATOM 24 C GLN A 2 5.628 -6.931 -4.825 1.00 0.00 C ATOM 25 O GLN A 2 5.468 -6.566 -5.971 1.00 0.00 O ATOM 26 CB GLN A 2 7.602 -8.281 -4.122 1.00 0.00 C ATOM 27 CG GLN A 2 7.955 -9.483 -3.244 1.00 0.00 C ATOM 28 CD GLN A 2 9.041 -10.314 -3.929 1.00 0.00 C ATOM 29 OE1 GLN A 2 9.138 -10.328 -5.141 1.00 0.00 O ATOM 30 NE2 GLN A 2 9.869 -11.012 -3.202 1.00 0.00 N ATOM 0 H GLN A 2 6.821 -9.554 -6.104 1.00 0.00 H new ATOM 0 HA GLN A 2 5.545 -8.740 -3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.216 -8.282 -5.022 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.817 -7.354 -3.591 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.303 -9.144 -2.268 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.069 -10.094 -3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.789 -11.001 -2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.597 -11.569 -3.650 1.00 0.00 H new ATOM 39 N CYS A 3 5.389 -6.140 -3.822 1.00 0.00 N ATOM 40 CA CYS A 3 4.912 -4.752 -4.064 1.00 0.00 C ATOM 41 C CYS A 3 5.424 -3.837 -2.950 1.00 0.00 C ATOM 42 O CYS A 3 5.583 -4.251 -1.818 1.00 0.00 O ATOM 43 CB CYS A 3 3.388 -4.728 -4.073 1.00 0.00 C ATOM 44 SG CYS A 3 2.756 -6.034 -5.156 1.00 0.00 S ATOM 0 H CYS A 3 5.503 -6.394 -2.841 1.00 0.00 H new ATOM 0 HA CYS A 3 5.287 -4.405 -5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.008 -4.867 -3.061 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.033 -3.756 -4.416 1.00 0.00 H new ATOM 49 N TYR A 4 5.680 -2.596 -3.258 1.00 0.00 N ATOM 50 CA TYR A 4 6.178 -1.657 -2.214 1.00 0.00 C ATOM 51 C TYR A 4 5.045 -1.343 -1.235 1.00 0.00 C ATOM 52 O TYR A 4 3.925 -1.086 -1.629 1.00 0.00 O ATOM 53 CB TYR A 4 6.653 -0.362 -2.875 1.00 0.00 C ATOM 54 CG TYR A 4 7.980 -0.600 -3.556 1.00 0.00 C ATOM 55 CD1 TYR A 4 9.024 -1.220 -2.859 1.00 0.00 C ATOM 56 CD2 TYR A 4 8.166 -0.200 -4.886 1.00 0.00 C ATOM 57 CE1 TYR A 4 10.255 -1.439 -3.492 1.00 0.00 C ATOM 58 CE2 TYR A 4 9.397 -0.420 -5.517 1.00 0.00 C ATOM 59 CZ TYR A 4 10.440 -1.039 -4.820 1.00 0.00 C ATOM 60 OH TYR A 4 11.652 -1.255 -5.443 1.00 0.00 O ATOM 0 H TYR A 4 5.566 -2.191 -4.187 1.00 0.00 H new ATOM 0 HA TYR A 4 7.009 -2.115 -1.678 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.916 -0.021 -3.602 1.00 0.00 H new ATOM 0 HB3 TYR A 4 6.752 0.425 -2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.881 -1.529 -1.834 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.361 0.278 -5.424 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.061 -1.917 -2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 4 9.541 -0.112 -6.542 1.00 0.00 H new ATOM 0 HH TYR A 4 11.612 -0.919 -6.363 1.00 0.00 H new ATOM 70 N ASN A 5 5.326 -1.360 0.039 1.00 0.00 N ATOM 71 CA ASN A 5 4.261 -1.061 1.037 1.00 0.00 C ATOM 72 C ASN A 5 4.612 0.225 1.787 1.00 0.00 C ATOM 73 O ASN A 5 5.767 0.560 1.960 1.00 0.00 O ATOM 74 CB ASN A 5 4.150 -2.220 2.030 1.00 0.00 C ATOM 75 CG ASN A 5 2.723 -2.770 2.008 1.00 0.00 C ATOM 76 OD1 ASN A 5 2.517 -3.948 1.797 1.00 0.00 O ATOM 77 ND2 ASN A 5 1.721 -1.960 2.220 1.00 0.00 N ATOM 0 H ASN A 5 6.244 -1.567 0.431 1.00 0.00 H new ATOM 0 HA ASN A 5 3.308 -0.933 0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.859 -3.006 1.770 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.405 -1.880 3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.766 -2.317 2.208 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.894 -0.970 2.397 1.00 0.00 H new ATOM 84 N CYS A 6 3.623 0.951 2.230 1.00 0.00 N ATOM 85 CA CYS A 6 3.895 2.217 2.966 1.00 0.00 C ATOM 86 C CYS A 6 2.567 2.925 3.265 1.00 0.00 C ATOM 87 O CYS A 6 1.959 3.490 2.379 1.00 0.00 O ATOM 88 CB CYS A 6 4.771 3.127 2.101 1.00 0.00 C ATOM 89 SG CYS A 6 6.468 3.112 2.733 1.00 0.00 S ATOM 0 H CYS A 6 2.636 0.721 2.114 1.00 0.00 H new ATOM 0 HA CYS A 6 4.410 1.994 3.901 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.755 2.788 1.065 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.378 4.143 2.110 1.00 0.00 H new ATOM 94 N PRO A 7 2.151 2.869 4.508 1.00 0.00 N ATOM 95 CA PRO A 7 0.893 3.496 4.949 1.00 0.00 C ATOM 96 C PRO A 7 1.078 5.009 5.097 1.00 0.00 C ATOM 97 O PRO A 7 0.136 5.740 5.334 1.00 0.00 O ATOM 98 CB PRO A 7 0.618 2.839 6.304 1.00 0.00 C ATOM 99 CG PRO A 7 1.980 2.315 6.817 1.00 0.00 C ATOM 100 CD PRO A 7 2.894 2.183 5.585 1.00 0.00 C ATOM 0 HA PRO A 7 0.072 3.359 4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.189 3.556 7.004 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.099 2.024 6.203 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.410 3.002 7.546 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.862 1.353 7.316 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.865 2.648 5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.080 1.138 5.337 1.00 0.00 H new ATOM 108 N ASN A 8 2.284 5.482 4.952 1.00 0.00 N ATOM 109 CA ASN A 8 2.532 6.945 5.076 1.00 0.00 C ATOM 110 C ASN A 8 2.699 7.546 3.678 1.00 0.00 C ATOM 111 O ASN A 8 3.329 6.954 2.825 1.00 0.00 O ATOM 112 CB ASN A 8 3.813 7.177 5.881 1.00 0.00 C ATOM 113 CG ASN A 8 3.456 7.545 7.323 1.00 0.00 C ATOM 114 OD1 ASN A 8 2.437 7.129 7.835 1.00 0.00 O ATOM 115 ND2 ASN A 8 4.264 8.312 8.004 1.00 0.00 N ATOM 0 H ASN A 8 3.110 4.918 4.753 1.00 0.00 H new ATOM 0 HA ASN A 8 1.691 7.418 5.584 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.431 6.279 5.867 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.400 7.975 5.426 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.039 8.562 8.967 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.120 8.661 7.573 1.00 0.00 H new ATOM 122 N PRO A 9 2.132 8.710 3.481 1.00 0.00 N ATOM 123 CA PRO A 9 2.211 9.412 2.190 1.00 0.00 C ATOM 124 C PRO A 9 3.584 10.059 2.030 1.00 0.00 C ATOM 125 O PRO A 9 3.768 11.233 2.283 1.00 0.00 O ATOM 126 CB PRO A 9 1.105 10.465 2.283 1.00 0.00 C ATOM 127 CG PRO A 9 0.839 10.684 3.792 1.00 0.00 C ATOM 128 CD PRO A 9 1.367 9.432 4.518 1.00 0.00 C ATOM 0 HA PRO A 9 2.084 8.756 1.329 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.412 11.394 1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.202 10.127 1.774 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.345 11.581 4.149 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.225 10.822 3.982 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.998 9.699 5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.551 8.823 4.908 1.00 0.00 H new ATOM 136 N THR A 10 4.547 9.292 1.612 1.00 0.00 N ATOM 137 CA THR A 10 5.919 9.843 1.432 1.00 0.00 C ATOM 138 C THR A 10 6.404 9.555 0.009 1.00 0.00 C ATOM 139 O THR A 10 5.986 8.603 -0.619 1.00 0.00 O ATOM 140 CB THR A 10 6.870 9.187 2.436 1.00 0.00 C ATOM 141 OG1 THR A 10 8.208 9.562 2.133 1.00 0.00 O ATOM 142 CG2 THR A 10 6.734 7.667 2.354 1.00 0.00 C ATOM 0 H THR A 10 4.445 8.303 1.386 1.00 0.00 H new ATOM 0 HA THR A 10 5.900 10.920 1.599 1.00 0.00 H new ATOM 0 HB THR A 10 6.618 9.517 3.444 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.818 9.144 2.776 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.412 7.202 3.070 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.708 7.380 2.587 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.984 7.333 1.347 1.00 0.00 H new ATOM 150 N ALA A 11 7.286 10.369 -0.501 1.00 0.00 N ATOM 151 CA ALA A 11 7.801 10.139 -1.879 1.00 0.00 C ATOM 152 C ALA A 11 9.198 9.523 -1.797 1.00 0.00 C ATOM 153 O ALA A 11 10.078 9.847 -2.569 1.00 0.00 O ATOM 154 CB ALA A 11 7.874 11.473 -2.626 1.00 0.00 C ATOM 0 H ALA A 11 7.672 11.183 -0.023 1.00 0.00 H new ATOM 0 HA ALA A 11 7.133 9.463 -2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.251 11.305 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.879 11.915 -2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.544 12.150 -2.096 1.00 0.00 H new ATOM 160 N ASP A 12 9.406 8.635 -0.863 1.00 0.00 N ATOM 161 CA ASP A 12 10.744 7.996 -0.725 1.00 0.00 C ATOM 162 C ASP A 12 10.597 6.656 -0.003 1.00 0.00 C ATOM 163 O ASP A 12 11.464 6.241 0.740 1.00 0.00 O ATOM 164 CB ASP A 12 11.665 8.914 0.080 1.00 0.00 C ATOM 165 CG ASP A 12 12.876 9.296 -0.772 1.00 0.00 C ATOM 166 OD1 ASP A 12 12.689 9.555 -1.949 1.00 0.00 O ATOM 167 OD2 ASP A 12 13.970 9.324 -0.232 1.00 0.00 O ATOM 0 H ASP A 12 8.706 8.325 -0.189 1.00 0.00 H new ATOM 0 HA ASP A 12 11.172 7.829 -1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.125 9.810 0.386 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.992 8.412 0.990 1.00 0.00 H new ATOM 172 N CYS A 13 9.507 5.974 -0.219 1.00 0.00 N ATOM 173 CA CYS A 13 9.304 4.658 0.454 1.00 0.00 C ATOM 174 C CYS A 13 10.241 3.621 -0.169 1.00 0.00 C ATOM 175 O CYS A 13 10.448 3.598 -1.366 1.00 0.00 O ATOM 176 CB CYS A 13 7.852 4.209 0.273 1.00 0.00 C ATOM 177 SG CYS A 13 7.595 2.633 1.125 1.00 0.00 S ATOM 0 H CYS A 13 8.747 6.270 -0.832 1.00 0.00 H new ATOM 0 HA CYS A 13 9.522 4.755 1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.175 4.964 0.671 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.623 4.103 -0.787 1.00 0.00 H new ATOM 182 N LYS A 14 10.812 2.762 0.633 1.00 0.00 N ATOM 183 CA LYS A 14 11.734 1.729 0.085 1.00 0.00 C ATOM 184 C LYS A 14 11.608 0.444 0.905 1.00 0.00 C ATOM 185 O LYS A 14 12.588 -0.195 1.229 1.00 0.00 O ATOM 186 CB LYS A 14 13.175 2.240 0.160 1.00 0.00 C ATOM 187 CG LYS A 14 13.423 2.873 1.529 1.00 0.00 C ATOM 188 CD LYS A 14 14.886 2.672 1.929 1.00 0.00 C ATOM 189 CE LYS A 14 15.096 3.163 3.363 1.00 0.00 C ATOM 190 NZ LYS A 14 16.491 3.662 3.517 1.00 0.00 N ATOM 0 H LYS A 14 10.679 2.732 1.644 1.00 0.00 H new ATOM 0 HA LYS A 14 11.473 1.525 -0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.872 1.418 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.354 2.971 -0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.187 3.937 1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.767 2.423 2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.154 1.618 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.539 3.218 1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.386 3.957 3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.908 2.353 4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.635 3.996 4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.160 2.892 3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.654 4.447 2.854 1.00 0.00 H new ATOM 204 N THR A 15 10.407 0.061 1.243 1.00 0.00 N ATOM 205 CA THR A 15 10.223 -1.184 2.043 1.00 0.00 C ATOM 206 C THR A 15 9.467 -2.219 1.211 1.00 0.00 C ATOM 207 O THR A 15 8.324 -2.533 1.480 1.00 0.00 O ATOM 208 CB THR A 15 9.422 -0.864 3.308 1.00 0.00 C ATOM 209 OG1 THR A 15 9.011 -2.078 3.923 1.00 0.00 O ATOM 210 CG2 THR A 15 8.192 -0.034 2.939 1.00 0.00 C ATOM 0 H THR A 15 9.548 0.554 1.001 1.00 0.00 H new ATOM 0 HA THR A 15 11.198 -1.584 2.321 1.00 0.00 H new ATOM 0 HB THR A 15 10.044 -0.297 4.000 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.349 -2.525 3.355 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.623 0.193 3.840 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.509 0.896 2.466 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.566 -0.598 2.247 1.00 0.00 H new ATOM 218 N ALA A 16 10.096 -2.757 0.202 1.00 0.00 N ATOM 219 CA ALA A 16 9.412 -3.775 -0.644 1.00 0.00 C ATOM 220 C ALA A 16 9.050 -4.988 0.216 1.00 0.00 C ATOM 221 O ALA A 16 9.806 -5.400 1.073 1.00 0.00 O ATOM 222 CB ALA A 16 10.347 -4.211 -1.773 1.00 0.00 C ATOM 0 H ALA A 16 11.053 -2.536 -0.073 1.00 0.00 H new ATOM 0 HA ALA A 16 8.505 -3.346 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.847 -4.956 -2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.607 -3.347 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.254 -4.642 -1.349 1.00 0.00 H new ATOM 228 N VAL A 17 7.900 -5.562 -0.005 1.00 0.00 N ATOM 229 CA VAL A 17 7.492 -6.746 0.801 1.00 0.00 C ATOM 230 C VAL A 17 6.736 -7.732 -0.091 1.00 0.00 C ATOM 231 O VAL A 17 6.124 -7.356 -1.070 1.00 0.00 O ATOM 232 CB VAL A 17 6.586 -6.293 1.948 1.00 0.00 C ATOM 233 CG1 VAL A 17 5.301 -5.689 1.380 1.00 0.00 C ATOM 234 CG2 VAL A 17 6.236 -7.495 2.829 1.00 0.00 C ATOM 0 H VAL A 17 7.225 -5.262 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 17 8.378 -7.233 1.210 1.00 0.00 H new ATOM 0 HB VAL A 17 7.107 -5.543 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.657 -5.367 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.548 -4.832 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.781 -6.437 0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.591 -7.172 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.717 -8.245 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.150 -7.925 3.238 1.00 0.00 H new ATOM 244 N ASN A 18 6.773 -8.992 0.242 1.00 0.00 N ATOM 245 CA ASN A 18 6.052 -10.001 -0.589 1.00 0.00 C ATOM 246 C ASN A 18 4.663 -10.244 0.005 1.00 0.00 C ATOM 247 O ASN A 18 4.515 -10.904 1.014 1.00 0.00 O ATOM 248 CB ASN A 18 6.823 -11.332 -0.636 1.00 0.00 C ATOM 249 CG ASN A 18 7.990 -11.332 0.359 1.00 0.00 C ATOM 250 OD1 ASN A 18 7.945 -11.988 1.380 1.00 0.00 O ATOM 251 ND2 ASN A 18 9.032 -10.600 0.069 1.00 0.00 N ATOM 0 H ASN A 18 7.269 -9.368 1.050 1.00 0.00 H new ATOM 0 HA ASN A 18 5.967 -9.615 -1.605 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.147 -12.155 -0.407 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.201 -11.501 -1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.829 -10.572 0.705 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.049 -10.057 -0.794 1.00 0.00 H new ATOM 257 N CYS A 19 3.644 -9.711 -0.613 1.00 0.00 N ATOM 258 CA CYS A 19 2.264 -9.908 -0.086 1.00 0.00 C ATOM 259 C CYS A 19 1.876 -11.383 -0.213 1.00 0.00 C ATOM 260 O CYS A 19 2.320 -12.076 -1.106 1.00 0.00 O ATOM 261 CB CYS A 19 1.284 -9.052 -0.893 1.00 0.00 C ATOM 262 SG CYS A 19 1.517 -7.307 -0.473 1.00 0.00 S ATOM 0 H CYS A 19 3.708 -9.147 -1.461 1.00 0.00 H new ATOM 0 HA CYS A 19 2.229 -9.612 0.962 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.445 -9.205 -1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.259 -9.355 -0.679 1.00 0.00 H new ATOM 267 N SER A 20 1.051 -11.868 0.674 1.00 0.00 N ATOM 268 CA SER A 20 0.635 -13.297 0.601 1.00 0.00 C ATOM 269 C SER A 20 -0.814 -13.433 1.070 1.00 0.00 C ATOM 270 O SER A 20 -1.182 -12.960 2.128 1.00 0.00 O ATOM 271 CB SER A 20 1.542 -14.138 1.501 1.00 0.00 C ATOM 272 OG SER A 20 2.676 -13.368 1.874 1.00 0.00 O ATOM 0 H SER A 20 0.647 -11.337 1.446 1.00 0.00 H new ATOM 0 HA SER A 20 0.717 -13.646 -0.428 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.997 -14.458 2.389 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.857 -15.041 0.978 1.00 0.00 H new ATOM 0 HG SER A 20 3.259 -13.903 2.452 1.00 0.00 H new ATOM 278 N SER A 21 -1.641 -14.073 0.289 1.00 0.00 N ATOM 279 CA SER A 21 -3.067 -14.239 0.689 1.00 0.00 C ATOM 280 C SER A 21 -3.624 -12.898 1.174 1.00 0.00 C ATOM 281 O SER A 21 -4.057 -12.769 2.303 1.00 0.00 O ATOM 282 CB SER A 21 -3.165 -15.268 1.815 1.00 0.00 C ATOM 283 OG SER A 21 -4.459 -15.855 1.803 1.00 0.00 O ATOM 0 H SER A 21 -1.391 -14.488 -0.609 1.00 0.00 H new ATOM 0 HA SER A 21 -3.645 -14.582 -0.169 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.403 -16.037 1.688 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.979 -14.790 2.777 1.00 0.00 H new ATOM 0 HG SER A 21 -4.525 -16.517 2.523 1.00 0.00 H new ATOM 289 N ASP A 22 -3.621 -11.901 0.332 1.00 0.00 N ATOM 290 CA ASP A 22 -4.155 -10.574 0.752 1.00 0.00 C ATOM 291 C ASP A 22 -3.822 -9.525 -0.312 1.00 0.00 C ATOM 292 O ASP A 22 -3.561 -8.379 -0.004 1.00 0.00 O ATOM 293 CB ASP A 22 -3.521 -10.166 2.084 1.00 0.00 C ATOM 294 CG ASP A 22 -4.607 -10.069 3.156 1.00 0.00 C ATOM 295 OD1 ASP A 22 -5.765 -9.951 2.791 1.00 0.00 O ATOM 296 OD2 ASP A 22 -4.263 -10.115 4.326 1.00 0.00 O ATOM 0 H ASP A 22 -3.273 -11.947 -0.626 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.237 -10.641 0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.768 -10.896 2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.012 -9.208 1.979 1.00 0.00 H new ATOM 301 N PHE A 23 -3.834 -9.903 -1.562 1.00 0.00 N ATOM 302 CA PHE A 23 -3.521 -8.920 -2.637 1.00 0.00 C ATOM 303 C PHE A 23 -3.584 -9.611 -4.005 1.00 0.00 C ATOM 304 O PHE A 23 -3.800 -10.802 -4.100 1.00 0.00 O ATOM 305 CB PHE A 23 -2.117 -8.339 -2.408 1.00 0.00 C ATOM 306 CG PHE A 23 -1.065 -9.296 -2.925 1.00 0.00 C ATOM 307 CD1 PHE A 23 -1.096 -10.643 -2.545 1.00 0.00 C ATOM 308 CD2 PHE A 23 -0.062 -8.835 -3.785 1.00 0.00 C ATOM 309 CE1 PHE A 23 -0.124 -11.529 -3.026 1.00 0.00 C ATOM 310 CE2 PHE A 23 0.909 -9.720 -4.267 1.00 0.00 C ATOM 311 CZ PHE A 23 0.878 -11.067 -3.887 1.00 0.00 C ATOM 0 H PHE A 23 -4.046 -10.847 -1.884 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.252 -8.112 -2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.026 -7.378 -2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.961 -8.155 -1.345 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.870 -10.999 -1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.037 -7.796 -4.077 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.148 -12.568 -2.733 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.682 -9.364 -4.932 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.628 -11.750 -4.258 1.00 0.00 H new ATOM 321 N ASP A 24 -3.388 -8.869 -5.060 1.00 0.00 N ATOM 322 CA ASP A 24 -3.428 -9.479 -6.421 1.00 0.00 C ATOM 323 C ASP A 24 -2.937 -8.461 -7.455 1.00 0.00 C ATOM 324 O ASP A 24 -3.302 -8.514 -8.612 1.00 0.00 O ATOM 325 CB ASP A 24 -4.862 -9.894 -6.752 1.00 0.00 C ATOM 326 CG ASP A 24 -4.907 -11.396 -7.033 1.00 0.00 C ATOM 327 OD1 ASP A 24 -5.076 -12.152 -6.091 1.00 0.00 O ATOM 328 OD2 ASP A 24 -4.771 -11.766 -8.188 1.00 0.00 O ATOM 0 H ASP A 24 -3.202 -7.866 -5.039 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.782 -10.357 -6.444 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.524 -9.649 -5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.221 -9.340 -7.619 1.00 0.00 H new ATOM 333 N ALA A 25 -2.114 -7.533 -7.047 1.00 0.00 N ATOM 334 CA ALA A 25 -1.602 -6.515 -8.006 1.00 0.00 C ATOM 335 C ALA A 25 -0.999 -5.348 -7.224 1.00 0.00 C ATOM 336 O ALA A 25 -1.652 -4.742 -6.400 1.00 0.00 O ATOM 337 CB ALA A 25 -2.756 -6.003 -8.871 1.00 0.00 C ATOM 0 H ALA A 25 -1.774 -7.437 -6.090 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.841 -6.963 -8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.382 -5.258 -9.573 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.193 -6.835 -9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.516 -5.551 -8.233 1.00 0.00 H new ATOM 343 N CYS A 26 0.238 -5.016 -7.475 1.00 0.00 N ATOM 344 CA CYS A 26 0.852 -3.878 -6.736 1.00 0.00 C ATOM 345 C CYS A 26 0.109 -2.602 -7.118 1.00 0.00 C ATOM 346 O CYS A 26 -0.415 -2.485 -8.207 1.00 0.00 O ATOM 347 CB CYS A 26 2.332 -3.747 -7.107 1.00 0.00 C ATOM 348 SG CYS A 26 3.129 -5.371 -7.029 1.00 0.00 S ATOM 0 H CYS A 26 0.844 -5.478 -8.153 1.00 0.00 H new ATOM 0 HA CYS A 26 0.779 -4.050 -5.662 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.430 -3.331 -8.110 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.827 -3.055 -6.426 1.00 0.00 H new ATOM 353 N LEU A 27 0.036 -1.651 -6.233 1.00 0.00 N ATOM 354 CA LEU A 27 -0.703 -0.406 -6.567 1.00 0.00 C ATOM 355 C LEU A 27 0.205 0.814 -6.419 1.00 0.00 C ATOM 356 O LEU A 27 0.768 1.068 -5.373 1.00 0.00 O ATOM 357 CB LEU A 27 -1.900 -0.280 -5.626 1.00 0.00 C ATOM 358 CG LEU A 27 -2.566 1.086 -5.791 1.00 0.00 C ATOM 359 CD1 LEU A 27 -3.696 0.973 -6.816 1.00 0.00 C ATOM 360 CD2 LEU A 27 -3.141 1.525 -4.442 1.00 0.00 C ATOM 0 H LEU A 27 0.451 -1.680 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.043 -0.453 -7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.620 -1.071 -5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.575 -0.411 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.836 1.819 -6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.175 1.944 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.288 0.647 -7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.431 0.247 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.618 2.499 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.877 0.795 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.337 1.594 -3.709 1.00 0.00 H new ATOM 372 N ILE A 28 0.328 1.585 -7.464 1.00 0.00 N ATOM 373 CA ILE A 28 1.170 2.808 -7.401 1.00 0.00 C ATOM 374 C ILE A 28 0.273 4.023 -7.641 1.00 0.00 C ATOM 375 O ILE A 28 0.049 4.430 -8.764 1.00 0.00 O ATOM 376 CB ILE A 28 2.258 2.742 -8.478 1.00 0.00 C ATOM 377 CG1 ILE A 28 2.880 4.128 -8.668 1.00 0.00 C ATOM 378 CG2 ILE A 28 1.640 2.278 -9.799 1.00 0.00 C ATOM 379 CD1 ILE A 28 3.370 4.658 -7.319 1.00 0.00 C ATOM 0 H ILE A 28 -0.122 1.417 -8.364 1.00 0.00 H new ATOM 0 HA ILE A 28 1.649 2.885 -6.425 1.00 0.00 H new ATOM 0 HB ILE A 28 3.030 2.038 -8.168 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.710 4.072 -9.372 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.146 4.812 -9.094 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.413 2.231 -10.566 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.199 1.290 -9.667 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.867 2.982 -10.106 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.813 5.645 -7.455 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.529 4.729 -6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.118 3.978 -6.911 1.00 0.00 H new ATOM 391 N THR A 29 -0.258 4.591 -6.592 1.00 0.00 N ATOM 392 CA THR A 29 -1.157 5.766 -6.756 1.00 0.00 C ATOM 393 C THR A 29 -0.400 7.053 -6.427 1.00 0.00 C ATOM 394 O THR A 29 0.570 7.051 -5.696 1.00 0.00 O ATOM 395 CB THR A 29 -2.350 5.621 -5.808 1.00 0.00 C ATOM 396 OG1 THR A 29 -3.204 4.588 -6.280 1.00 0.00 O ATOM 397 CG2 THR A 29 -3.124 6.938 -5.749 1.00 0.00 C ATOM 0 H THR A 29 -0.107 4.291 -5.629 1.00 0.00 H new ATOM 0 HA THR A 29 -1.506 5.812 -7.788 1.00 0.00 H new ATOM 0 HB THR A 29 -1.991 5.370 -4.810 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.968 4.492 -5.673 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.973 6.831 -5.073 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.468 7.729 -5.386 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.484 7.194 -6.746 1.00 0.00 H new ATOM 405 N LYS A 30 -0.845 8.154 -6.966 1.00 0.00 N ATOM 406 CA LYS A 30 -0.167 9.453 -6.695 1.00 0.00 C ATOM 407 C LYS A 30 -1.214 10.567 -6.675 1.00 0.00 C ATOM 408 O LYS A 30 -1.536 11.150 -7.692 1.00 0.00 O ATOM 409 CB LYS A 30 0.860 9.734 -7.793 1.00 0.00 C ATOM 410 CG LYS A 30 2.248 9.889 -7.167 1.00 0.00 C ATOM 411 CD LYS A 30 3.114 8.685 -7.543 1.00 0.00 C ATOM 412 CE LYS A 30 3.957 9.026 -8.774 1.00 0.00 C ATOM 413 NZ LYS A 30 5.187 8.187 -8.781 1.00 0.00 N ATOM 0 H LYS A 30 -1.653 8.210 -7.586 1.00 0.00 H new ATOM 0 HA LYS A 30 0.342 9.409 -5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.865 8.920 -8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.590 10.641 -8.334 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.715 10.810 -7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.163 9.965 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.762 8.415 -6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.483 7.820 -7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.380 8.852 -9.682 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.225 10.083 -8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.958 8.705 -9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.462 7.966 -7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.001 7.303 -9.297 1.00 0.00 H new ATOM 427 N ALA A 31 -1.756 10.863 -5.526 1.00 0.00 N ATOM 428 CA ALA A 31 -2.790 11.932 -5.442 1.00 0.00 C ATOM 429 C ALA A 31 -2.121 13.279 -5.162 1.00 0.00 C ATOM 430 O ALA A 31 -2.305 13.867 -4.115 1.00 0.00 O ATOM 431 CB ALA A 31 -3.767 11.605 -4.310 1.00 0.00 C ATOM 0 H ALA A 31 -1.527 10.410 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.329 11.987 -6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.525 12.386 -4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.248 10.648 -4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.225 11.548 -3.366 1.00 0.00 H new ATOM 437 N GLY A 32 -1.351 13.777 -6.090 1.00 0.00 N ATOM 438 CA GLY A 32 -0.679 15.091 -5.875 1.00 0.00 C ATOM 439 C GLY A 32 0.714 14.871 -5.284 1.00 0.00 C ATOM 440 O GLY A 32 1.592 14.322 -5.921 1.00 0.00 O ATOM 0 H GLY A 32 -1.158 13.332 -6.987 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.602 15.629 -6.820 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.275 15.709 -5.204 1.00 0.00 H new ATOM 444 N LEU A 33 0.926 15.299 -4.069 1.00 0.00 N ATOM 445 CA LEU A 33 2.262 15.120 -3.436 1.00 0.00 C ATOM 446 C LEU A 33 2.178 14.033 -2.362 1.00 0.00 C ATOM 447 O LEU A 33 2.887 14.067 -1.376 1.00 0.00 O ATOM 448 CB LEU A 33 2.698 16.438 -2.793 1.00 0.00 C ATOM 449 CG LEU A 33 3.864 17.034 -3.583 1.00 0.00 C ATOM 450 CD1 LEU A 33 3.497 18.442 -4.053 1.00 0.00 C ATOM 451 CD2 LEU A 33 5.102 17.104 -2.685 1.00 0.00 C ATOM 0 H LEU A 33 0.230 15.765 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 33 2.987 14.825 -4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.863 17.138 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.996 16.268 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 33 4.075 16.406 -4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.329 18.866 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.614 18.394 -4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.286 19.071 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.935 17.529 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.889 17.732 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.365 16.101 -2.349 1.00 0.00 H new ATOM 463 N GLN A 34 1.318 13.070 -2.544 1.00 0.00 N ATOM 464 CA GLN A 34 1.194 11.985 -1.529 1.00 0.00 C ATOM 465 C GLN A 34 1.136 10.628 -2.231 1.00 0.00 C ATOM 466 O GLN A 34 0.081 10.160 -2.613 1.00 0.00 O ATOM 467 CB GLN A 34 -0.087 12.192 -0.717 1.00 0.00 C ATOM 468 CG GLN A 34 -1.276 12.333 -1.668 1.00 0.00 C ATOM 469 CD GLN A 34 -2.058 13.601 -1.324 1.00 0.00 C ATOM 470 OE1 GLN A 34 -1.855 14.637 -1.926 1.00 0.00 O ATOM 471 NE2 GLN A 34 -2.950 13.564 -0.372 1.00 0.00 N ATOM 0 H GLN A 34 0.697 12.987 -3.349 1.00 0.00 H new ATOM 0 HA GLN A 34 2.057 12.012 -0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.244 11.349 -0.044 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.003 13.083 -0.096 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.927 12.377 -2.700 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.924 11.460 -1.588 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.121 12.695 0.133 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.476 14.404 -0.133 1.00 0.00 H new ATOM 480 N VAL A 35 2.261 9.989 -2.399 1.00 0.00 N ATOM 481 CA VAL A 35 2.268 8.658 -3.070 1.00 0.00 C ATOM 482 C VAL A 35 1.659 7.620 -2.127 1.00 0.00 C ATOM 483 O VAL A 35 1.812 7.697 -0.924 1.00 0.00 O ATOM 484 CB VAL A 35 3.708 8.266 -3.408 1.00 0.00 C ATOM 485 CG1 VAL A 35 3.709 6.973 -4.225 1.00 0.00 C ATOM 486 CG2 VAL A 35 4.362 9.384 -4.222 1.00 0.00 C ATOM 0 H VAL A 35 3.175 10.330 -2.101 1.00 0.00 H new ATOM 0 HA VAL A 35 1.684 8.704 -3.989 1.00 0.00 H new ATOM 0 HB VAL A 35 4.268 8.111 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.735 6.695 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.243 6.176 -3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.149 7.125 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.388 9.106 -4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.801 9.539 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.363 10.305 -3.639 1.00 0.00 H new ATOM 496 N TYR A 36 0.965 6.651 -2.657 1.00 0.00 N ATOM 497 CA TYR A 36 0.346 5.618 -1.781 1.00 0.00 C ATOM 498 C TYR A 36 0.852 4.230 -2.176 1.00 0.00 C ATOM 499 O TYR A 36 0.237 3.533 -2.960 1.00 0.00 O ATOM 500 CB TYR A 36 -1.177 5.666 -1.933 1.00 0.00 C ATOM 501 CG TYR A 36 -1.751 6.698 -0.992 1.00 0.00 C ATOM 502 CD1 TYR A 36 -1.715 6.481 0.390 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.324 7.869 -1.502 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.250 7.438 1.262 1.00 0.00 C ATOM 505 CE2 TYR A 36 -2.859 8.826 -0.630 1.00 0.00 C ATOM 506 CZ TYR A 36 -2.822 8.609 0.753 1.00 0.00 C ATOM 507 OH TYR A 36 -3.349 9.551 1.613 1.00 0.00 O ATOM 0 H TYR A 36 0.800 6.530 -3.656 1.00 0.00 H new ATOM 0 HA TYR A 36 0.618 5.818 -0.745 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.442 5.911 -2.962 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.604 4.687 -1.718 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.275 5.577 0.784 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.354 8.035 -2.569 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.221 7.272 2.329 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.299 9.730 -1.024 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.705 10.303 1.096 1.00 0.00 H new ATOM 517 N ASN A 37 1.962 3.816 -1.631 1.00 0.00 N ATOM 518 CA ASN A 37 2.500 2.468 -1.966 1.00 0.00 C ATOM 519 C ASN A 37 1.752 1.420 -1.140 1.00 0.00 C ATOM 520 O ASN A 37 1.875 1.369 0.067 1.00 0.00 O ATOM 521 CB ASN A 37 3.991 2.413 -1.629 1.00 0.00 C ATOM 522 CG ASN A 37 4.793 3.096 -2.739 1.00 0.00 C ATOM 523 OD1 ASN A 37 5.293 2.442 -3.633 1.00 0.00 O ATOM 524 ND2 ASN A 37 4.939 4.392 -2.720 1.00 0.00 N ATOM 0 H ASN A 37 2.520 4.353 -0.968 1.00 0.00 H new ATOM 0 HA ASN A 37 2.366 2.269 -3.029 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.177 2.907 -0.675 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.312 1.377 -1.519 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.473 4.856 -3.455 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.520 4.942 -1.970 1.00 0.00 H new ATOM 531 N LYS A 38 0.970 0.587 -1.772 1.00 0.00 N ATOM 532 CA LYS A 38 0.217 -0.439 -1.000 1.00 0.00 C ATOM 533 C LYS A 38 -0.132 -1.629 -1.894 1.00 0.00 C ATOM 534 O LYS A 38 -0.192 -1.523 -3.106 1.00 0.00 O ATOM 535 CB LYS A 38 -1.074 0.185 -0.462 1.00 0.00 C ATOM 536 CG LYS A 38 -1.885 -0.877 0.282 1.00 0.00 C ATOM 537 CD LYS A 38 -2.908 -0.192 1.191 1.00 0.00 C ATOM 538 CE LYS A 38 -3.678 0.860 0.391 1.00 0.00 C ATOM 539 NZ LYS A 38 -5.065 0.972 0.923 1.00 0.00 N ATOM 0 H LYS A 38 0.821 0.573 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 38 0.837 -0.788 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.839 1.012 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.661 0.596 -1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.393 -1.527 -0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.222 -1.508 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.598 -0.930 1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.403 0.276 2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.173 1.824 0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.703 0.584 -0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.745 0.759 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.193 0.297 1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.226 1.939 1.271 1.00 0.00 H new ATOM 553 N CYS A 39 -0.376 -2.762 -1.295 1.00 0.00 N ATOM 554 CA CYS A 39 -0.741 -3.969 -2.084 1.00 0.00 C ATOM 555 C CYS A 39 -2.208 -3.852 -2.492 1.00 0.00 C ATOM 556 O CYS A 39 -3.042 -3.434 -1.715 1.00 0.00 O ATOM 557 CB CYS A 39 -0.544 -5.223 -1.228 1.00 0.00 C ATOM 558 SG CYS A 39 0.673 -6.309 -2.014 1.00 0.00 S ATOM 0 H CYS A 39 -0.337 -2.903 -0.286 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.110 -4.043 -2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.207 -4.945 -0.229 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.492 -5.748 -1.110 1.00 0.00 H new ATOM 563 N TRP A 40 -2.532 -4.191 -3.708 1.00 0.00 N ATOM 564 CA TRP A 40 -3.942 -4.064 -4.151 1.00 0.00 C ATOM 565 C TRP A 40 -4.321 -5.258 -5.031 1.00 0.00 C ATOM 566 O TRP A 40 -3.472 -5.928 -5.588 1.00 0.00 O ATOM 567 CB TRP A 40 -4.063 -2.765 -4.943 1.00 0.00 C ATOM 568 CG TRP A 40 -5.433 -2.204 -4.798 1.00 0.00 C ATOM 569 CD1 TRP A 40 -6.509 -2.624 -5.488 1.00 0.00 C ATOM 570 CD2 TRP A 40 -5.890 -1.127 -3.929 1.00 0.00 C ATOM 571 NE1 TRP A 40 -7.606 -1.872 -5.106 1.00 0.00 N ATOM 572 CE2 TRP A 40 -7.275 -0.937 -4.145 1.00 0.00 C ATOM 573 CE3 TRP A 40 -5.245 -0.306 -2.987 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -7.996 0.036 -3.450 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -5.969 0.673 -2.285 1.00 0.00 C ATOM 576 CH2 TRP A 40 -7.341 0.843 -2.516 1.00 0.00 C ATOM 0 H TRP A 40 -1.883 -4.548 -4.409 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.615 -4.048 -3.293 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.327 -2.044 -4.588 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.847 -2.950 -5.995 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.515 -3.418 -6.220 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -8.544 -1.993 -5.487 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.188 -0.428 -2.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -9.053 0.164 -3.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.465 1.298 -1.563 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -7.891 1.597 -1.973 1.00 0.00 H new ATOM 587 N LYS A 41 -5.590 -5.535 -5.158 1.00 0.00 N ATOM 588 CA LYS A 41 -6.019 -6.689 -5.998 1.00 0.00 C ATOM 589 C LYS A 41 -6.376 -6.194 -7.402 1.00 0.00 C ATOM 590 O LYS A 41 -6.510 -5.010 -7.637 1.00 0.00 O ATOM 591 CB LYS A 41 -7.241 -7.355 -5.362 1.00 0.00 C ATOM 592 CG LYS A 41 -6.802 -8.150 -4.132 1.00 0.00 C ATOM 593 CD LYS A 41 -7.455 -9.534 -4.160 1.00 0.00 C ATOM 594 CE LYS A 41 -6.447 -10.587 -3.698 1.00 0.00 C ATOM 595 NZ LYS A 41 -7.175 -11.744 -3.108 1.00 0.00 N ATOM 0 H LYS A 41 -6.347 -5.013 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.206 -7.412 -6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.974 -6.600 -5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.725 -8.015 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.717 -8.248 -4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.086 -7.620 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.332 -9.547 -3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.800 -9.764 -5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.838 -10.917 -4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.767 -10.157 -2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.490 -12.461 -2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.738 -11.422 -2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.806 -12.158 -3.823 1.00 0.00 H new ATOM 609 N PHE A 42 -6.534 -7.092 -8.336 1.00 0.00 N ATOM 610 CA PHE A 42 -6.881 -6.674 -9.722 1.00 0.00 C ATOM 611 C PHE A 42 -8.382 -6.406 -9.805 1.00 0.00 C ATOM 612 O PHE A 42 -8.832 -5.562 -10.555 1.00 0.00 O ATOM 613 CB PHE A 42 -6.506 -7.789 -10.699 1.00 0.00 C ATOM 614 CG PHE A 42 -5.603 -7.233 -11.774 1.00 0.00 C ATOM 615 CD1 PHE A 42 -6.155 -6.690 -12.940 1.00 0.00 C ATOM 616 CD2 PHE A 42 -4.214 -7.259 -11.604 1.00 0.00 C ATOM 617 CE1 PHE A 42 -5.318 -6.174 -13.935 1.00 0.00 C ATOM 618 CE2 PHE A 42 -3.377 -6.743 -12.600 1.00 0.00 C ATOM 619 CZ PHE A 42 -3.929 -6.200 -13.766 1.00 0.00 C ATOM 0 H PHE A 42 -6.437 -8.098 -8.198 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.333 -5.768 -9.980 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.003 -8.598 -10.169 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.405 -8.212 -11.147 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.227 -6.669 -13.071 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.788 -7.677 -10.704 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.744 -5.755 -14.835 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.305 -6.764 -12.469 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.284 -5.801 -14.535 1.00 0.00 H new ATOM 629 N GLU A 43 -9.162 -7.120 -9.042 1.00 0.00 N ATOM 630 CA GLU A 43 -10.632 -6.908 -9.082 1.00 0.00 C ATOM 631 C GLU A 43 -10.960 -5.529 -8.508 1.00 0.00 C ATOM 632 O GLU A 43 -11.932 -4.904 -8.883 1.00 0.00 O ATOM 633 CB GLU A 43 -11.331 -7.991 -8.257 1.00 0.00 C ATOM 634 CG GLU A 43 -10.573 -8.206 -6.945 1.00 0.00 C ATOM 635 CD GLU A 43 -11.543 -8.709 -5.874 1.00 0.00 C ATOM 636 OE1 GLU A 43 -12.674 -8.251 -5.863 1.00 0.00 O ATOM 637 OE2 GLU A 43 -11.138 -9.544 -5.081 1.00 0.00 O ATOM 0 H GLU A 43 -8.844 -7.840 -8.394 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.981 -6.964 -10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.360 -7.697 -8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.373 -8.922 -8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.769 -8.927 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.110 -7.273 -6.623 1.00 0.00 H new ATOM 644 N HIS A 44 -10.155 -5.050 -7.602 1.00 0.00 N ATOM 645 CA HIS A 44 -10.419 -3.711 -7.006 1.00 0.00 C ATOM 646 C HIS A 44 -9.600 -2.654 -7.751 1.00 0.00 C ATOM 647 O HIS A 44 -9.436 -1.542 -7.288 1.00 0.00 O ATOM 648 CB HIS A 44 -10.019 -3.726 -5.529 1.00 0.00 C ATOM 649 CG HIS A 44 -10.831 -4.760 -4.798 1.00 0.00 C ATOM 650 ND1 HIS A 44 -10.734 -4.938 -3.426 1.00 0.00 N ATOM 651 CD2 HIS A 44 -11.758 -5.675 -5.231 1.00 0.00 C ATOM 652 CE1 HIS A 44 -11.582 -5.925 -3.085 1.00 0.00 C ATOM 653 NE2 HIS A 44 -12.231 -6.411 -4.147 1.00 0.00 N ATOM 0 H HIS A 44 -9.326 -5.527 -7.248 1.00 0.00 H new ATOM 0 HA HIS A 44 -11.479 -3.473 -7.091 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.956 -3.948 -5.432 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.181 -2.743 -5.088 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.073 -5.805 -6.256 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.721 -6.281 -2.075 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -12.924 -7.160 -4.161 1.00 0.00 H new ATOM 661 N CYS A 45 -9.086 -2.989 -8.904 1.00 0.00 N ATOM 662 CA CYS A 45 -8.280 -1.999 -9.675 1.00 0.00 C ATOM 663 C CYS A 45 -9.203 -1.177 -10.576 1.00 0.00 C ATOM 664 O CYS A 45 -9.032 -1.129 -11.778 1.00 0.00 O ATOM 665 CB CYS A 45 -7.252 -2.737 -10.535 1.00 0.00 C ATOM 666 SG CYS A 45 -5.790 -3.114 -9.538 1.00 0.00 S ATOM 0 H CYS A 45 -9.189 -3.903 -9.344 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.764 -1.334 -8.982 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.684 -3.657 -10.928 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.973 -2.125 -11.392 1.00 0.00 H new ATOM 671 N ASN A 46 -10.181 -0.529 -10.005 1.00 0.00 N ATOM 672 CA ASN A 46 -11.115 0.290 -10.829 1.00 0.00 C ATOM 673 C ASN A 46 -11.058 1.746 -10.364 1.00 0.00 C ATOM 674 O ASN A 46 -10.561 2.048 -9.297 1.00 0.00 O ATOM 675 CB ASN A 46 -12.540 -0.242 -10.664 1.00 0.00 C ATOM 676 CG ASN A 46 -12.500 -1.762 -10.489 1.00 0.00 C ATOM 677 OD1 ASN A 46 -11.711 -2.438 -11.120 1.00 0.00 O ATOM 678 ND2 ASN A 46 -13.325 -2.332 -9.655 1.00 0.00 N ATOM 0 H ASN A 46 -10.374 -0.531 -9.003 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.824 0.230 -11.878 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.015 0.222 -9.800 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -13.140 0.019 -11.536 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.308 -3.344 -9.533 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.987 -1.765 -9.125 1.00 0.00 H new ATOM 685 N PHE A 47 -11.562 2.653 -11.156 1.00 0.00 N ATOM 686 CA PHE A 47 -11.534 4.087 -10.754 1.00 0.00 C ATOM 687 C PHE A 47 -12.503 4.310 -9.591 1.00 0.00 C ATOM 688 O PHE A 47 -12.564 5.380 -9.019 1.00 0.00 O ATOM 689 CB PHE A 47 -11.952 4.958 -11.941 1.00 0.00 C ATOM 690 CG PHE A 47 -11.902 6.413 -11.538 1.00 0.00 C ATOM 691 CD1 PHE A 47 -10.675 7.089 -11.509 1.00 0.00 C ATOM 692 CD2 PHE A 47 -13.080 7.086 -11.193 1.00 0.00 C ATOM 693 CE1 PHE A 47 -10.629 8.437 -11.134 1.00 0.00 C ATOM 694 CE2 PHE A 47 -13.033 8.434 -10.818 1.00 0.00 C ATOM 695 CZ PHE A 47 -11.807 9.110 -10.789 1.00 0.00 C ATOM 0 H PHE A 47 -11.991 2.463 -12.062 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.525 4.357 -10.443 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.289 4.781 -12.788 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -12.959 4.693 -12.264 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.766 6.571 -11.776 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -14.026 6.565 -11.216 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.683 8.958 -11.111 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -13.942 8.952 -10.551 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.770 10.150 -10.501 1.00 0.00 H new ATOM 705 N ASN A 48 -13.263 3.309 -9.236 1.00 0.00 N ATOM 706 CA ASN A 48 -14.227 3.469 -8.112 1.00 0.00 C ATOM 707 C ASN A 48 -13.760 2.639 -6.912 1.00 0.00 C ATOM 708 O ASN A 48 -13.854 3.065 -5.778 1.00 0.00 O ATOM 709 CB ASN A 48 -15.612 2.992 -8.556 1.00 0.00 C ATOM 710 CG ASN A 48 -15.518 1.550 -9.057 1.00 0.00 C ATOM 711 OD1 ASN A 48 -14.914 1.288 -10.078 1.00 0.00 O ATOM 712 ND2 ASN A 48 -16.092 0.596 -8.376 1.00 0.00 N ATOM 0 H ASN A 48 -13.257 2.389 -9.676 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.279 4.520 -7.826 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.314 3.054 -7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.995 3.638 -9.346 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.033 -0.369 -8.701 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.599 0.815 -7.519 1.00 0.00 H new ATOM 719 N ASP A 49 -13.263 1.456 -7.150 1.00 0.00 N ATOM 720 CA ASP A 49 -12.796 0.602 -6.019 1.00 0.00 C ATOM 721 C ASP A 49 -11.517 1.193 -5.423 1.00 0.00 C ATOM 722 O ASP A 49 -11.047 0.761 -4.389 1.00 0.00 O ATOM 723 CB ASP A 49 -12.510 -0.810 -6.531 1.00 0.00 C ATOM 724 CG ASP A 49 -13.527 -1.786 -5.936 1.00 0.00 C ATOM 725 OD1 ASP A 49 -14.175 -1.421 -4.968 1.00 0.00 O ATOM 726 OD2 ASP A 49 -13.641 -2.883 -6.457 1.00 0.00 O ATOM 0 H ASP A 49 -13.160 1.044 -8.077 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.570 0.564 -5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.564 -0.831 -7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.499 -1.110 -6.256 1.00 0.00 H new ATOM 731 N VAL A 50 -10.949 2.175 -6.064 1.00 0.00 N ATOM 732 CA VAL A 50 -9.700 2.788 -5.531 1.00 0.00 C ATOM 733 C VAL A 50 -10.018 4.150 -4.912 1.00 0.00 C ATOM 734 O VAL A 50 -9.551 4.479 -3.840 1.00 0.00 O ATOM 735 CB VAL A 50 -8.695 2.966 -6.670 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.546 3.863 -6.205 1.00 0.00 C ATOM 737 CG2 VAL A 50 -8.140 1.599 -7.072 1.00 0.00 C ATOM 0 H VAL A 50 -11.295 2.580 -6.934 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.274 2.137 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.191 3.427 -7.524 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.831 3.989 -7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.940 4.837 -5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.048 3.403 -5.351 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.423 1.722 -7.884 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.644 1.142 -6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.957 0.958 -7.403 1.00 0.00 H new ATOM 747 N THR A 51 -10.809 4.945 -5.578 1.00 0.00 N ATOM 748 CA THR A 51 -11.154 6.285 -5.025 1.00 0.00 C ATOM 749 C THR A 51 -12.039 6.118 -3.787 1.00 0.00 C ATOM 750 O THR A 51 -12.347 7.073 -3.102 1.00 0.00 O ATOM 751 CB THR A 51 -11.903 7.094 -6.086 1.00 0.00 C ATOM 752 OG1 THR A 51 -12.757 6.231 -6.822 1.00 0.00 O ATOM 753 CG2 THR A 51 -10.893 7.748 -7.033 1.00 0.00 C ATOM 0 H THR A 51 -11.231 4.725 -6.480 1.00 0.00 H new ATOM 0 HA THR A 51 -10.240 6.809 -4.745 1.00 0.00 H new ATOM 0 HB THR A 51 -12.500 7.867 -5.603 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.386 6.089 -7.718 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.425 8.325 -7.790 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.238 8.410 -6.466 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.296 6.976 -7.518 1.00 0.00 H new ATOM 761 N THR A 52 -12.450 4.915 -3.494 1.00 0.00 N ATOM 762 CA THR A 52 -13.314 4.693 -2.300 1.00 0.00 C ATOM 763 C THR A 52 -12.520 3.951 -1.228 1.00 0.00 C ATOM 764 O THR A 52 -12.587 4.276 -0.060 1.00 0.00 O ATOM 765 CB THR A 52 -14.530 3.866 -2.702 1.00 0.00 C ATOM 766 OG1 THR A 52 -15.400 3.730 -1.587 1.00 0.00 O ATOM 767 CG2 THR A 52 -14.081 2.483 -3.177 1.00 0.00 C ATOM 0 H THR A 52 -12.225 4.076 -4.029 1.00 0.00 H new ATOM 0 HA THR A 52 -13.644 5.653 -1.904 1.00 0.00 H new ATOM 0 HB THR A 52 -15.056 4.369 -3.513 1.00 0.00 H new ATOM 0 HG1 THR A 52 -16.183 3.200 -1.845 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.953 1.896 -3.463 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.418 2.591 -4.036 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.551 1.976 -2.371 1.00 0.00 H new ATOM 775 N ARG A 53 -11.760 2.961 -1.609 1.00 0.00 N ATOM 776 CA ARG A 53 -10.960 2.225 -0.596 1.00 0.00 C ATOM 777 C ARG A 53 -10.071 3.234 0.125 1.00 0.00 C ATOM 778 O ARG A 53 -9.892 3.180 1.325 1.00 0.00 O ATOM 779 CB ARG A 53 -10.091 1.171 -1.285 1.00 0.00 C ATOM 780 CG ARG A 53 -10.852 -0.155 -1.351 1.00 0.00 C ATOM 781 CD ARG A 53 -9.927 -1.296 -0.923 1.00 0.00 C ATOM 782 NE ARG A 53 -10.324 -1.776 0.430 1.00 0.00 N ATOM 783 CZ ARG A 53 -9.446 -1.812 1.396 1.00 0.00 C ATOM 784 NH1 ARG A 53 -8.513 -0.902 1.464 1.00 0.00 N ATOM 785 NH2 ARG A 53 -9.500 -2.760 2.292 1.00 0.00 N ATOM 0 H ARG A 53 -11.660 2.634 -2.570 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.618 1.722 0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.828 1.502 -2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.157 1.040 -0.738 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.726 -0.118 -0.701 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.216 -0.328 -2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.984 -2.113 -1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.892 -0.954 -0.910 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.283 -2.077 0.602 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.470 -0.163 0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.827 -0.930 2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.228 -3.472 2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.814 -2.788 3.047 1.00 0.00 H new ATOM 799 N LEU A 54 -9.526 4.168 -0.607 1.00 0.00 N ATOM 800 CA LEU A 54 -8.661 5.198 0.020 1.00 0.00 C ATOM 801 C LEU A 54 -9.541 6.332 0.551 1.00 0.00 C ATOM 802 O LEU A 54 -9.101 7.161 1.322 1.00 0.00 O ATOM 803 CB LEU A 54 -7.690 5.750 -1.025 1.00 0.00 C ATOM 804 CG LEU A 54 -7.016 4.589 -1.756 1.00 0.00 C ATOM 805 CD1 LEU A 54 -6.490 5.072 -3.108 1.00 0.00 C ATOM 806 CD2 LEU A 54 -5.851 4.066 -0.914 1.00 0.00 C ATOM 0 H LEU A 54 -9.646 4.259 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.095 4.757 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.224 6.381 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.939 6.377 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.740 3.790 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.010 4.244 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.319 5.446 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.766 5.871 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.369 3.238 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.128 4.866 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.225 3.721 0.050 1.00 0.00 H new ATOM 818 N ARG A 55 -10.784 6.376 0.141 1.00 0.00 N ATOM 819 CA ARG A 55 -11.692 7.455 0.620 1.00 0.00 C ATOM 820 C ARG A 55 -11.285 8.784 -0.017 1.00 0.00 C ATOM 821 O ARG A 55 -11.387 9.832 0.589 1.00 0.00 O ATOM 822 CB ARG A 55 -11.603 7.567 2.145 1.00 0.00 C ATOM 823 CG ARG A 55 -11.717 6.173 2.766 1.00 0.00 C ATOM 824 CD ARG A 55 -12.425 6.271 4.118 1.00 0.00 C ATOM 825 NE ARG A 55 -11.453 5.989 5.210 1.00 0.00 N ATOM 826 CZ ARG A 55 -10.682 6.941 5.661 1.00 0.00 C ATOM 827 NH1 ARG A 55 -11.207 7.979 6.253 1.00 0.00 N ATOM 828 NH2 ARG A 55 -9.388 6.856 5.518 1.00 0.00 N ATOM 0 H ARG A 55 -11.207 5.709 -0.505 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.717 7.216 0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.658 8.029 2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.399 8.210 2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.272 5.511 2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.726 5.738 2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.852 7.266 4.245 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.251 5.561 4.160 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.389 5.051 5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.219 8.046 6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.605 8.723 6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.978 6.045 5.054 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.786 7.600 5.871 1.00 0.00 H new ATOM 842 N GLU A 56 -10.830 8.747 -1.239 1.00 0.00 N ATOM 843 CA GLU A 56 -10.421 10.005 -1.924 1.00 0.00 C ATOM 844 C GLU A 56 -11.076 10.057 -3.305 1.00 0.00 C ATOM 845 O GLU A 56 -12.013 9.334 -3.583 1.00 0.00 O ATOM 846 CB GLU A 56 -8.899 10.032 -2.073 1.00 0.00 C ATOM 847 CG GLU A 56 -8.248 10.028 -0.688 1.00 0.00 C ATOM 848 CD GLU A 56 -8.152 11.462 -0.164 1.00 0.00 C ATOM 849 OE1 GLU A 56 -7.987 12.358 -0.975 1.00 0.00 O ATOM 850 OE2 GLU A 56 -8.246 11.641 1.039 1.00 0.00 O ATOM 0 H GLU A 56 -10.724 7.898 -1.794 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.739 10.867 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.564 9.167 -2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.593 10.919 -2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.834 9.417 -0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.255 9.582 -0.743 1.00 0.00 H new ATOM 857 N ASN A 57 -10.597 10.904 -4.175 1.00 0.00 N ATOM 858 CA ASN A 57 -11.203 10.992 -5.534 1.00 0.00 C ATOM 859 C ASN A 57 -10.100 11.169 -6.580 1.00 0.00 C ATOM 860 O ASN A 57 -9.805 10.271 -7.343 1.00 0.00 O ATOM 861 CB ASN A 57 -12.159 12.185 -5.593 1.00 0.00 C ATOM 862 CG ASN A 57 -12.879 12.331 -4.251 1.00 0.00 C ATOM 863 OD1 ASN A 57 -12.816 13.369 -3.625 1.00 0.00 O ATOM 864 ND2 ASN A 57 -13.564 11.325 -3.779 1.00 0.00 N ATOM 0 H ASN A 57 -9.815 11.537 -4.005 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.754 10.075 -5.742 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.606 13.096 -5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.885 12.043 -6.393 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.046 11.411 -2.884 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.617 10.453 -4.305 1.00 0.00 H new ATOM 871 N GLU A 58 -9.491 12.323 -6.623 1.00 0.00 N ATOM 872 CA GLU A 58 -8.410 12.558 -7.622 1.00 0.00 C ATOM 873 C GLU A 58 -7.152 11.793 -7.207 1.00 0.00 C ATOM 874 O GLU A 58 -6.491 12.142 -6.249 1.00 0.00 O ATOM 875 CB GLU A 58 -8.093 14.054 -7.687 1.00 0.00 C ATOM 876 CG GLU A 58 -9.089 14.749 -8.617 1.00 0.00 C ATOM 877 CD GLU A 58 -8.558 16.134 -8.989 1.00 0.00 C ATOM 878 OE1 GLU A 58 -8.113 16.837 -8.097 1.00 0.00 O ATOM 879 OE2 GLU A 58 -8.604 16.468 -10.163 1.00 0.00 O ATOM 0 H GLU A 58 -9.695 13.112 -6.010 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.741 12.210 -8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.145 14.491 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.076 14.205 -8.048 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.240 14.152 -9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.059 14.839 -8.127 1.00 0.00 H new ATOM 886 N LEU A 59 -6.811 10.756 -7.922 1.00 0.00 N ATOM 887 CA LEU A 59 -5.592 9.978 -7.567 1.00 0.00 C ATOM 888 C LEU A 59 -5.316 8.931 -8.648 1.00 0.00 C ATOM 889 O LEU A 59 -5.946 7.894 -8.696 1.00 0.00 O ATOM 890 CB LEU A 59 -5.800 9.280 -6.221 1.00 0.00 C ATOM 891 CG LEU A 59 -7.197 8.661 -6.175 1.00 0.00 C ATOM 892 CD1 LEU A 59 -7.079 7.136 -6.166 1.00 0.00 C ATOM 893 CD2 LEU A 59 -7.914 9.123 -4.905 1.00 0.00 C ATOM 0 H LEU A 59 -7.323 10.415 -8.735 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.742 10.656 -7.495 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.044 8.507 -6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.681 9.995 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.764 8.976 -7.051 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.075 6.694 -6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.565 6.806 -7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.513 6.820 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.911 8.683 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.346 8.806 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.997 10.210 -4.909 1.00 0.00 H new ATOM 905 N THR A 60 -4.375 9.192 -9.516 1.00 0.00 N ATOM 906 CA THR A 60 -4.058 8.208 -10.588 1.00 0.00 C ATOM 907 C THR A 60 -3.535 6.920 -9.951 1.00 0.00 C ATOM 908 O THR A 60 -2.623 6.940 -9.149 1.00 0.00 O ATOM 909 CB THR A 60 -2.989 8.785 -11.520 1.00 0.00 C ATOM 910 OG1 THR A 60 -2.341 9.875 -10.879 1.00 0.00 O ATOM 911 CG2 THR A 60 -3.643 9.269 -12.815 1.00 0.00 C ATOM 0 H THR A 60 -3.814 10.043 -9.528 1.00 0.00 H new ATOM 0 HA THR A 60 -4.959 7.995 -11.163 1.00 0.00 H new ATOM 0 HB THR A 60 -2.257 8.012 -11.753 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.655 10.244 -11.474 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.880 9.679 -13.477 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.138 8.432 -13.307 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.377 10.041 -12.585 1.00 0.00 H new ATOM 919 N TYR A 61 -4.108 5.799 -10.295 1.00 0.00 N ATOM 920 CA TYR A 61 -3.646 4.511 -9.704 1.00 0.00 C ATOM 921 C TYR A 61 -3.235 3.551 -10.822 1.00 0.00 C ATOM 922 O TYR A 61 -3.965 3.342 -11.771 1.00 0.00 O ATOM 923 CB TYR A 61 -4.788 3.888 -8.900 1.00 0.00 C ATOM 924 CG TYR A 61 -5.895 3.487 -9.843 1.00 0.00 C ATOM 925 CD1 TYR A 61 -6.740 4.464 -10.385 1.00 0.00 C ATOM 926 CD2 TYR A 61 -6.075 2.140 -10.182 1.00 0.00 C ATOM 927 CE1 TYR A 61 -7.763 4.094 -11.263 1.00 0.00 C ATOM 928 CE2 TYR A 61 -7.099 1.771 -11.061 1.00 0.00 C ATOM 929 CZ TYR A 61 -7.943 2.748 -11.602 1.00 0.00 C ATOM 930 OH TYR A 61 -8.952 2.384 -12.469 1.00 0.00 O ATOM 0 H TYR A 61 -4.877 5.719 -10.960 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.792 4.696 -9.052 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.429 3.018 -8.350 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.161 4.600 -8.163 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.601 5.503 -10.125 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.423 1.386 -9.765 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.415 4.847 -11.680 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.238 0.732 -11.322 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.938 1.413 -12.598 1.00 0.00 H new ATOM 940 N TYR A 62 -2.076 2.961 -10.718 1.00 0.00 N ATOM 941 CA TYR A 62 -1.632 2.012 -11.776 1.00 0.00 C ATOM 942 C TYR A 62 -1.312 0.654 -11.146 1.00 0.00 C ATOM 943 O TYR A 62 -0.345 0.504 -10.426 1.00 0.00 O ATOM 944 CB TYR A 62 -0.384 2.563 -12.470 1.00 0.00 C ATOM 945 CG TYR A 62 0.017 1.641 -13.598 1.00 0.00 C ATOM 946 CD1 TYR A 62 0.810 0.517 -13.337 1.00 0.00 C ATOM 947 CD2 TYR A 62 -0.406 1.911 -14.906 1.00 0.00 C ATOM 948 CE1 TYR A 62 1.181 -0.336 -14.383 1.00 0.00 C ATOM 949 CE2 TYR A 62 -0.035 1.058 -15.952 1.00 0.00 C ATOM 950 CZ TYR A 62 0.759 -0.066 -15.691 1.00 0.00 C ATOM 951 OH TYR A 62 1.125 -0.907 -16.722 1.00 0.00 O ATOM 0 H TYR A 62 -1.420 3.095 -9.949 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.429 1.891 -12.510 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.582 3.563 -12.857 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.432 2.654 -11.754 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.135 0.308 -12.329 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.018 2.777 -15.107 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.793 -1.203 -14.181 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.361 1.267 -16.960 1.00 0.00 H new ATOM 0 HH TYR A 62 0.748 -0.576 -17.564 1.00 0.00 H new ATOM 961 N CYS A 63 -2.120 -0.338 -11.413 1.00 0.00 N ATOM 962 CA CYS A 63 -1.866 -1.688 -10.835 1.00 0.00 C ATOM 963 C CYS A 63 -0.775 -2.388 -11.646 1.00 0.00 C ATOM 964 O CYS A 63 -0.628 -2.157 -12.830 1.00 0.00 O ATOM 965 CB CYS A 63 -3.151 -2.518 -10.890 1.00 0.00 C ATOM 966 SG CYS A 63 -4.473 -1.654 -10.005 1.00 0.00 S ATOM 0 H CYS A 63 -2.946 -0.270 -12.008 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.544 -1.586 -9.799 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.443 -2.686 -11.927 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.982 -3.498 -10.444 1.00 0.00 H new ATOM 971 N CYS A 64 -0.008 -3.240 -11.023 1.00 0.00 N ATOM 972 CA CYS A 64 1.070 -3.948 -11.770 1.00 0.00 C ATOM 973 C CYS A 64 1.301 -5.325 -11.146 1.00 0.00 C ATOM 974 O CYS A 64 0.613 -5.725 -10.229 1.00 0.00 O ATOM 975 CB CYS A 64 2.362 -3.130 -11.703 1.00 0.00 C ATOM 976 SG CYS A 64 3.242 -3.261 -13.279 1.00 0.00 S ATOM 0 H CYS A 64 -0.080 -3.476 -10.033 1.00 0.00 H new ATOM 0 HA CYS A 64 0.773 -4.067 -12.812 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.133 -2.086 -11.488 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.993 -3.492 -10.891 1.00 0.00 H new ATOM 981 N LYS A 65 2.265 -6.053 -11.638 1.00 0.00 N ATOM 982 CA LYS A 65 2.542 -7.404 -11.075 1.00 0.00 C ATOM 983 C LYS A 65 3.876 -7.913 -11.623 1.00 0.00 C ATOM 984 O LYS A 65 4.093 -9.101 -11.759 1.00 0.00 O ATOM 985 CB LYS A 65 1.421 -8.367 -11.474 1.00 0.00 C ATOM 986 CG LYS A 65 1.078 -8.171 -12.951 1.00 0.00 C ATOM 987 CD LYS A 65 1.182 -9.512 -13.681 1.00 0.00 C ATOM 988 CE LYS A 65 -0.193 -10.182 -13.719 1.00 0.00 C ATOM 989 NZ LYS A 65 -1.107 -9.389 -14.588 1.00 0.00 N ATOM 0 H LYS A 65 2.873 -5.770 -12.406 1.00 0.00 H new ATOM 0 HA LYS A 65 2.592 -7.344 -9.988 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.732 -9.396 -11.296 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.539 -8.189 -10.859 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.070 -7.768 -13.051 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.757 -7.447 -13.400 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.551 -9.358 -14.695 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.899 -10.158 -13.175 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.103 -11.199 -14.100 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.603 -10.254 -12.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.773 -10.029 -15.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.637 -8.709 -14.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.550 -8.875 -15.300 1.00 0.00 H new ATOM 1003 N LYS A 66 4.771 -7.018 -11.942 1.00 0.00 N ATOM 1004 CA LYS A 66 6.094 -7.437 -12.485 1.00 0.00 C ATOM 1005 C LYS A 66 7.131 -7.426 -11.366 1.00 0.00 C ATOM 1006 O LYS A 66 8.298 -7.172 -11.586 1.00 0.00 O ATOM 1007 CB LYS A 66 6.523 -6.455 -13.563 1.00 0.00 C ATOM 1008 CG LYS A 66 6.600 -7.171 -14.913 1.00 0.00 C ATOM 1009 CD LYS A 66 7.088 -6.193 -15.982 1.00 0.00 C ATOM 1010 CE LYS A 66 7.340 -6.947 -17.289 1.00 0.00 C ATOM 1011 NZ LYS A 66 7.429 -5.974 -18.415 1.00 0.00 N ATOM 0 H LYS A 66 4.642 -6.010 -11.849 1.00 0.00 H new ATOM 0 HA LYS A 66 6.014 -8.441 -12.902 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.814 -5.629 -13.619 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.493 -6.026 -13.312 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.278 -8.022 -14.847 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.620 -7.564 -15.185 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.346 -5.410 -16.139 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.003 -5.703 -15.651 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.263 -7.522 -17.217 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.535 -7.658 -17.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.600 -6.486 -19.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.537 -5.444 -18.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.212 -5.312 -18.241 1.00 0.00 H new ATOM 1025 N ASP A 67 6.704 -7.690 -10.170 1.00 0.00 N ATOM 1026 CA ASP A 67 7.647 -7.694 -9.012 1.00 0.00 C ATOM 1027 C ASP A 67 8.183 -6.277 -8.789 1.00 0.00 C ATOM 1028 O ASP A 67 9.013 -5.792 -9.532 1.00 0.00 O ATOM 1029 CB ASP A 67 8.814 -8.646 -9.295 1.00 0.00 C ATOM 1030 CG ASP A 67 8.447 -10.058 -8.836 1.00 0.00 C ATOM 1031 OD1 ASP A 67 7.988 -10.195 -7.715 1.00 0.00 O ATOM 1032 OD2 ASP A 67 8.633 -10.979 -9.614 1.00 0.00 O ATOM 0 H ASP A 67 5.735 -7.906 -9.936 1.00 0.00 H new ATOM 0 HA ASP A 67 7.120 -8.030 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.045 -8.648 -10.360 1.00 0.00 H new ATOM 0 HB3 ASP A 67 9.709 -8.305 -8.775 1.00 0.00 H new ATOM 1037 N LEU A 68 7.710 -5.612 -7.770 1.00 0.00 N ATOM 1038 CA LEU A 68 8.183 -4.229 -7.490 1.00 0.00 C ATOM 1039 C LEU A 68 7.975 -3.360 -8.732 1.00 0.00 C ATOM 1040 O LEU A 68 8.797 -2.531 -9.069 1.00 0.00 O ATOM 1041 CB LEU A 68 9.668 -4.265 -7.125 1.00 0.00 C ATOM 1042 CG LEU A 68 9.925 -5.436 -6.177 1.00 0.00 C ATOM 1043 CD1 LEU A 68 11.363 -5.374 -5.665 1.00 0.00 C ATOM 1044 CD2 LEU A 68 8.961 -5.354 -4.991 1.00 0.00 C ATOM 0 H LEU A 68 7.013 -5.970 -7.117 1.00 0.00 H new ATOM 0 HA LEU A 68 7.618 -3.808 -6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.273 -4.371 -8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.961 -3.328 -6.652 1.00 0.00 H new ATOM 0 HG LEU A 68 9.769 -6.373 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.545 -6.210 -4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.052 -5.432 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.519 -4.436 -5.132 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.144 -6.189 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.117 -4.415 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.934 -5.399 -5.353 1.00 0.00 H new ATOM 1056 N CYS A 69 6.877 -3.545 -9.412 1.00 0.00 N ATOM 1057 CA CYS A 69 6.604 -2.736 -10.631 1.00 0.00 C ATOM 1058 C CYS A 69 5.874 -1.449 -10.233 1.00 0.00 C ATOM 1059 O CYS A 69 5.660 -0.569 -11.043 1.00 0.00 O ATOM 1060 CB CYS A 69 5.732 -3.556 -11.589 1.00 0.00 C ATOM 1061 SG CYS A 69 5.070 -2.491 -12.895 1.00 0.00 S ATOM 0 H CYS A 69 6.155 -4.225 -9.174 1.00 0.00 H new ATOM 0 HA CYS A 69 7.541 -2.477 -11.124 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.320 -4.361 -12.029 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.914 -4.022 -11.040 1.00 0.00 H new ATOM 1066 N ASN A 70 5.489 -1.332 -8.991 1.00 0.00 N ATOM 1067 CA ASN A 70 4.773 -0.103 -8.547 1.00 0.00 C ATOM 1068 C ASN A 70 5.760 0.861 -7.882 1.00 0.00 C ATOM 1069 O ASN A 70 5.812 0.980 -6.675 1.00 0.00 O ATOM 1070 CB ASN A 70 3.671 -0.487 -7.555 1.00 0.00 C ATOM 1071 CG ASN A 70 4.294 -1.031 -6.268 1.00 0.00 C ATOM 1072 OD1 ASN A 70 5.257 -1.772 -6.309 1.00 0.00 O ATOM 1073 ND2 ASN A 70 3.777 -0.694 -5.117 1.00 0.00 N ATOM 0 H ASN A 70 5.639 -2.033 -8.266 1.00 0.00 H new ATOM 0 HA ASN A 70 4.326 0.389 -9.411 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.053 0.382 -7.331 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.017 -1.238 -7.998 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.181 -1.052 -4.252 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.969 -0.072 -5.083 1.00 0.00 H new ATOM 1080 N PHE A 71 6.544 1.556 -8.662 1.00 0.00 N ATOM 1081 CA PHE A 71 7.520 2.515 -8.074 1.00 0.00 C ATOM 1082 C PHE A 71 7.047 3.945 -8.344 1.00 0.00 C ATOM 1083 O PHE A 71 5.928 4.169 -8.760 1.00 0.00 O ATOM 1084 CB PHE A 71 8.897 2.301 -8.707 1.00 0.00 C ATOM 1085 CG PHE A 71 8.731 1.959 -10.168 1.00 0.00 C ATOM 1086 CD1 PHE A 71 8.527 2.977 -11.107 1.00 0.00 C ATOM 1087 CD2 PHE A 71 8.780 0.624 -10.582 1.00 0.00 C ATOM 1088 CE1 PHE A 71 8.371 2.659 -12.460 1.00 0.00 C ATOM 1089 CE2 PHE A 71 8.624 0.306 -11.936 1.00 0.00 C ATOM 1090 CZ PHE A 71 8.420 1.323 -12.876 1.00 0.00 C ATOM 0 H PHE A 71 6.550 1.500 -9.680 1.00 0.00 H new ATOM 0 HA PHE A 71 7.591 2.350 -6.999 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.502 3.201 -8.600 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.425 1.498 -8.192 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.490 4.008 -10.787 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.938 -0.161 -9.857 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.213 3.444 -13.184 1.00 0.00 H new ATOM 0 HE2 PHE A 71 8.661 -0.725 -12.256 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.301 1.077 -13.921 1.00 0.00 H new ATOM 1100 N ASN A 72 7.888 4.916 -8.109 1.00 0.00 N ATOM 1101 CA ASN A 72 7.476 6.327 -8.352 1.00 0.00 C ATOM 1102 C ASN A 72 7.917 6.760 -9.751 1.00 0.00 C ATOM 1103 O ASN A 72 8.612 7.742 -9.919 1.00 0.00 O ATOM 1104 CB ASN A 72 8.125 7.236 -7.308 1.00 0.00 C ATOM 1105 CG ASN A 72 8.155 6.520 -5.956 1.00 0.00 C ATOM 1106 OD1 ASN A 72 7.124 6.157 -5.424 1.00 0.00 O ATOM 1107 ND2 ASN A 72 9.302 6.301 -5.373 1.00 0.00 N ATOM 0 H ASN A 72 8.839 4.793 -7.761 1.00 0.00 H new ATOM 0 HA ASN A 72 6.391 6.403 -8.277 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.138 7.496 -7.616 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.567 8.169 -7.225 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.333 5.825 -4.471 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.167 6.605 -5.819 1.00 0.00 H new ATOM 1114 N GLU A 73 7.514 6.035 -10.759 1.00 0.00 N ATOM 1115 CA GLU A 73 7.903 6.404 -12.149 1.00 0.00 C ATOM 1116 C GLU A 73 7.074 5.580 -13.136 1.00 0.00 C ATOM 1117 O GLU A 73 7.556 5.160 -14.169 1.00 0.00 O ATOM 1118 CB GLU A 73 9.390 6.113 -12.363 1.00 0.00 C ATOM 1119 CG GLU A 73 10.132 7.421 -12.641 1.00 0.00 C ATOM 1120 CD GLU A 73 11.221 7.177 -13.688 1.00 0.00 C ATOM 1121 OE1 GLU A 73 12.119 6.400 -13.409 1.00 0.00 O ATOM 1122 OE2 GLU A 73 11.140 7.774 -14.749 1.00 0.00 O ATOM 0 H GLU A 73 6.931 5.202 -10.679 1.00 0.00 H new ATOM 0 HA GLU A 73 7.719 7.466 -12.310 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.807 5.627 -11.481 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.520 5.424 -13.198 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.434 8.179 -12.997 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.576 7.802 -11.721 1.00 0.00 H new ATOM 1129 N GLN A 74 5.830 5.342 -12.822 1.00 0.00 N ATOM 1130 CA GLN A 74 4.969 4.540 -13.735 1.00 0.00 C ATOM 1131 C GLN A 74 3.934 5.448 -14.404 1.00 0.00 C ATOM 1132 O GLN A 74 3.619 5.291 -15.567 1.00 0.00 O ATOM 1133 CB GLN A 74 4.245 3.459 -12.930 1.00 0.00 C ATOM 1134 CG GLN A 74 5.114 2.204 -12.852 1.00 0.00 C ATOM 1135 CD GLN A 74 4.256 0.971 -13.139 1.00 0.00 C ATOM 1136 OE1 GLN A 74 3.253 0.749 -12.489 1.00 0.00 O ATOM 1137 NE2 GLN A 74 4.609 0.153 -14.093 1.00 0.00 N ATOM 0 H GLN A 74 5.373 5.669 -11.971 1.00 0.00 H new ATOM 0 HA GLN A 74 5.592 4.077 -14.500 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.027 3.825 -11.927 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.289 3.223 -13.398 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.930 2.268 -13.572 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.567 2.123 -11.864 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.450 0.339 -14.639 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.043 -0.672 -14.293 1.00 0.00 H new ATOM 1146 N LEU A 75 3.396 6.391 -13.680 1.00 0.00 N ATOM 1147 CA LEU A 75 2.375 7.296 -14.281 1.00 0.00 C ATOM 1148 C LEU A 75 2.767 8.757 -14.047 1.00 0.00 C ATOM 1149 O LEU A 75 2.126 9.665 -14.539 1.00 0.00 O ATOM 1150 CB LEU A 75 0.992 7.022 -13.664 1.00 0.00 C ATOM 1151 CG LEU A 75 1.089 6.839 -12.140 1.00 0.00 C ATOM 1152 CD1 LEU A 75 1.763 5.505 -11.813 1.00 0.00 C ATOM 1153 CD2 LEU A 75 1.892 7.987 -11.522 1.00 0.00 C ATOM 0 H LEU A 75 3.618 6.574 -12.701 1.00 0.00 H new ATOM 0 HA LEU A 75 2.328 7.106 -15.353 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.319 7.849 -13.891 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.561 6.127 -14.114 1.00 0.00 H new ATOM 0 HG LEU A 75 0.082 6.843 -11.723 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.827 5.385 -10.732 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.177 4.688 -12.235 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.766 5.490 -12.240 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.955 7.848 -10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.896 7.998 -11.945 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.397 8.934 -11.737 1.00 0.00 H new