USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 593 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 29 HIS : no HE2:sc= -1.59 K(o=-0.56,f=-3.5!) USER MOD Set 1.2: A 61 THR OG1 : rot 74:sc= 1.03 USER MOD Set 2.1: A 45 HIS : no HE2:sc= -0.546 K(o=1.8,f=-16!) USER MOD Set 2.2: A 47 LYS NZ :NH3+ -157:sc= 2.3 (180deg=1.04) USER MOD Set 3.1: A 27 THR OG1 : rot 78:sc= 1.1 USER MOD Set 3.2: A 35 CYS SG : rot -116:sc= 0.606 USER MOD Set 4.1: A 15 CYS SG : rot 180:sc= 0.197 USER MOD Set 4.2: A 17 SER OG : rot -87:sc= 0.385 USER MOD Set 4.3: A 18 CYS SG : rot -160:sc= 0.0468 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0212) USER MOD Single : A 13 MET CE :methyl 173:sc= -0.955 (180deg=-1.04) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.051) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 140:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= -0.172 (180deg=-0.207) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0243 USER MOD Single : A 41 THR OG1 : rot -25:sc= 0.916 USER MOD Single : A 42 ASN : amide:sc= 0.827 K(o=0.83,f=-1.2) USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 1.63 (180deg=1.14) USER MOD Single : A 48 TYR OH : rot 60:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 64 SER OG : rot -17:sc= 0.626 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.543 7.146 -18.199 1.00 5.60 N ATOM 2 CA MET A 1 6.764 5.997 -19.090 1.00 5.10 C ATOM 3 C MET A 1 5.635 5.012 -18.804 1.00 4.44 C ATOM 4 O MET A 1 4.493 5.339 -19.115 1.00 5.03 O ATOM 5 CB MET A 1 8.175 5.404 -18.932 1.00 5.32 C ATOM 6 CG MET A 1 9.259 6.314 -19.527 1.00 6.53 C ATOM 7 SD MET A 1 10.943 5.660 -19.374 1.00 7.65 S ATOM 8 CE MET A 1 11.878 6.967 -20.200 1.00 8.55 C ATOM 0 H1 MET A 1 7.217 7.903 -18.435 1.00 5.60 H new ATOM 0 H2 MET A 1 5.572 7.497 -18.320 1.00 5.60 H new ATOM 0 H3 MET A 1 6.684 6.852 -17.212 1.00 5.60 H new ATOM 0 HA MET A 1 6.733 6.290 -20.140 1.00 5.10 H new ATOM 0 HB2 MET A 1 8.382 5.240 -17.874 1.00 5.32 H new ATOM 0 HB3 MET A 1 8.214 4.430 -19.419 1.00 5.32 H new ATOM 0 HG2 MET A 1 9.040 6.480 -20.582 1.00 6.53 H new ATOM 0 HG3 MET A 1 9.212 7.286 -19.035 1.00 6.53 H new ATOM 0 HE1 MET A 1 12.939 6.716 -20.192 1.00 8.55 H new ATOM 0 HE2 MET A 1 11.536 7.063 -21.230 1.00 8.55 H new ATOM 0 HE3 MET A 1 11.724 7.911 -19.677 1.00 8.55 H new ATOM 20 N GLY A 2 5.916 3.907 -18.113 1.00 4.19 N ATOM 21 CA GLY A 2 4.875 3.192 -17.391 1.00 4.20 C ATOM 22 C GLY A 2 4.549 3.941 -16.097 1.00 3.32 C ATOM 23 O GLY A 2 5.188 4.954 -15.795 1.00 3.41 O ATOM 0 H GLY A 2 6.846 3.495 -18.041 1.00 4.19 H new ATOM 0 HA2 GLY A 2 3.982 3.106 -18.009 1.00 4.20 H new ATOM 0 HA3 GLY A 2 5.205 2.178 -17.164 1.00 4.20 H new ATOM 27 N ASP A 3 3.576 3.431 -15.341 1.00 3.13 N ATOM 28 CA ASP A 3 3.262 3.847 -13.984 1.00 2.54 C ATOM 29 C ASP A 3 4.229 3.163 -13.012 1.00 1.54 C ATOM 30 O ASP A 3 4.665 2.033 -13.235 1.00 2.09 O ATOM 31 CB ASP A 3 1.805 3.473 -13.659 1.00 3.44 C ATOM 32 CG ASP A 3 1.503 1.990 -13.871 1.00 4.26 C ATOM 33 OD1 ASP A 3 1.819 1.486 -14.971 1.00 4.91 O ATOM 34 OD2 ASP A 3 0.918 1.385 -12.946 1.00 5.02 O ATOM 0 H ASP A 3 2.964 2.687 -15.676 1.00 3.13 H new ATOM 0 HA ASP A 3 3.372 4.927 -13.887 1.00 2.54 H new ATOM 0 HB2 ASP A 3 1.591 3.736 -12.623 1.00 3.44 H new ATOM 0 HB3 ASP A 3 1.136 4.066 -14.283 1.00 3.44 H new ATOM 39 N GLY A 4 4.581 3.846 -11.922 1.00 0.87 N ATOM 40 CA GLY A 4 5.433 3.269 -10.899 1.00 1.12 C ATOM 41 C GLY A 4 4.634 2.258 -10.087 1.00 1.18 C ATOM 42 O GLY A 4 4.033 2.617 -9.077 1.00 1.89 O ATOM 0 H GLY A 4 4.284 4.803 -11.731 1.00 0.87 H new ATOM 0 HA2 GLY A 4 6.294 2.784 -11.358 1.00 1.12 H new ATOM 0 HA3 GLY A 4 5.819 4.053 -10.247 1.00 1.12 H new ATOM 46 N VAL A 5 4.626 0.994 -10.510 1.00 0.80 N ATOM 47 CA VAL A 5 3.862 -0.040 -9.823 1.00 0.80 C ATOM 48 C VAL A 5 4.585 -0.451 -8.539 1.00 0.80 C ATOM 49 O VAL A 5 5.814 -0.509 -8.493 1.00 1.21 O ATOM 50 CB VAL A 5 3.628 -1.266 -10.729 1.00 1.10 C ATOM 51 CG1 VAL A 5 2.697 -0.913 -11.888 1.00 1.75 C ATOM 52 CG2 VAL A 5 4.920 -1.880 -11.282 1.00 2.79 C ATOM 0 H VAL A 5 5.141 0.664 -11.326 1.00 0.80 H new ATOM 0 HA VAL A 5 2.884 0.370 -9.569 1.00 0.80 H new ATOM 0 HB VAL A 5 3.165 -2.018 -10.090 1.00 1.10 H new ATOM 0 HG11 VAL A 5 2.546 -1.792 -12.514 1.00 1.75 H new ATOM 0 HG12 VAL A 5 1.737 -0.578 -11.495 1.00 1.75 H new ATOM 0 HG13 VAL A 5 3.143 -0.116 -12.483 1.00 1.75 H new ATOM 0 HG21 VAL A 5 4.676 -2.737 -11.910 1.00 2.79 H new ATOM 0 HG22 VAL A 5 5.452 -1.136 -11.875 1.00 2.79 H new ATOM 0 HG23 VAL A 5 5.552 -2.204 -10.455 1.00 2.79 H new ATOM 62 N LEU A 6 3.806 -0.714 -7.491 1.00 0.61 N ATOM 63 CA LEU A 6 4.269 -1.076 -6.170 1.00 0.70 C ATOM 64 C LEU A 6 3.303 -2.120 -5.638 1.00 0.58 C ATOM 65 O LEU A 6 2.353 -1.823 -4.915 1.00 0.76 O ATOM 66 CB LEU A 6 4.330 0.202 -5.330 1.00 0.94 C ATOM 67 CG LEU A 6 5.105 0.174 -4.008 1.00 1.44 C ATOM 68 CD1 LEU A 6 4.501 -0.745 -2.947 1.00 2.77 C ATOM 69 CD2 LEU A 6 6.583 -0.166 -4.207 1.00 2.07 C ATOM 0 H LEU A 6 2.789 -0.676 -7.552 1.00 0.61 H new ATOM 0 HA LEU A 6 5.269 -1.510 -6.154 1.00 0.70 H new ATOM 0 HB2 LEU A 6 4.763 0.986 -5.951 1.00 0.94 H new ATOM 0 HB3 LEU A 6 3.306 0.501 -5.107 1.00 0.94 H new ATOM 0 HG LEU A 6 5.022 1.193 -3.630 1.00 1.44 H new ATOM 0 HD11 LEU A 6 5.109 -0.707 -2.043 1.00 2.77 H new ATOM 0 HD12 LEU A 6 3.487 -0.417 -2.716 1.00 2.77 H new ATOM 0 HD13 LEU A 6 4.475 -1.768 -3.324 1.00 2.77 H new ATOM 0 HD21 LEU A 6 7.088 -0.173 -3.241 1.00 2.07 H new ATOM 0 HD22 LEU A 6 6.671 -1.149 -4.670 1.00 2.07 H new ATOM 0 HD23 LEU A 6 7.045 0.582 -4.852 1.00 2.07 H new ATOM 81 N GLU A 7 3.571 -3.356 -6.042 1.00 0.57 N ATOM 82 CA GLU A 7 2.836 -4.515 -5.609 1.00 0.66 C ATOM 83 C GLU A 7 3.516 -5.033 -4.350 1.00 0.65 C ATOM 84 O GLU A 7 4.686 -5.425 -4.402 1.00 0.78 O ATOM 85 CB GLU A 7 2.850 -5.539 -6.745 1.00 1.02 C ATOM 86 CG GLU A 7 1.476 -6.196 -6.858 1.00 1.00 C ATOM 87 CD GLU A 7 0.419 -5.322 -7.498 1.00 0.93 C ATOM 88 OE1 GLU A 7 0.757 -4.179 -7.867 1.00 2.31 O ATOM 89 OE2 GLU A 7 -0.711 -5.844 -7.650 1.00 1.59 O ATOM 0 H GLU A 7 4.324 -3.574 -6.694 1.00 0.57 H new ATOM 0 HA GLU A 7 1.794 -4.295 -5.376 1.00 0.66 H new ATOM 0 HB2 GLU A 7 3.110 -5.051 -7.685 1.00 1.02 H new ATOM 0 HB3 GLU A 7 3.612 -6.296 -6.557 1.00 1.02 H new ATOM 0 HG2 GLU A 7 1.572 -7.114 -7.438 1.00 1.00 H new ATOM 0 HG3 GLU A 7 1.140 -6.482 -5.861 1.00 1.00 H new ATOM 96 N LEU A 8 2.815 -5.018 -3.214 1.00 0.63 N ATOM 97 CA LEU A 8 3.338 -5.588 -1.982 1.00 0.68 C ATOM 98 C LEU A 8 2.336 -6.560 -1.371 1.00 0.60 C ATOM 99 O LEU A 8 1.132 -6.328 -1.441 1.00 0.62 O ATOM 100 CB LEU A 8 3.847 -4.492 -1.028 1.00 0.85 C ATOM 101 CG LEU A 8 2.903 -3.343 -0.639 1.00 0.83 C ATOM 102 CD1 LEU A 8 1.781 -3.798 0.293 1.00 2.06 C ATOM 103 CD2 LEU A 8 3.723 -2.301 0.122 1.00 1.58 C ATOM 0 H LEU A 8 1.882 -4.615 -3.127 1.00 0.63 H new ATOM 0 HA LEU A 8 4.221 -6.187 -2.205 1.00 0.68 H new ATOM 0 HB2 LEU A 8 4.167 -4.980 -0.108 1.00 0.85 H new ATOM 0 HB3 LEU A 8 4.735 -4.049 -1.480 1.00 0.85 H new ATOM 0 HG LEU A 8 2.457 -2.953 -1.554 1.00 0.83 H new ATOM 0 HD11 LEU A 8 1.143 -2.948 0.537 1.00 2.06 H new ATOM 0 HD12 LEU A 8 1.187 -4.567 -0.201 1.00 2.06 H new ATOM 0 HD13 LEU A 8 2.211 -4.204 1.209 1.00 2.06 H new ATOM 0 HD21 LEU A 8 3.078 -1.471 0.412 1.00 1.58 H new ATOM 0 HD22 LEU A 8 4.152 -2.756 1.015 1.00 1.58 H new ATOM 0 HD23 LEU A 8 4.525 -1.931 -0.517 1.00 1.58 H new ATOM 115 N VAL A 9 2.824 -7.662 -0.797 1.00 0.59 N ATOM 116 CA VAL A 9 2.012 -8.509 0.064 1.00 0.58 C ATOM 117 C VAL A 9 1.961 -7.846 1.438 1.00 0.59 C ATOM 118 O VAL A 9 2.930 -7.204 1.842 1.00 0.62 O ATOM 119 CB VAL A 9 2.515 -9.964 0.079 1.00 0.65 C ATOM 120 CG1 VAL A 9 3.910 -10.119 0.691 1.00 1.86 C ATOM 121 CG2 VAL A 9 1.532 -10.884 0.815 1.00 1.57 C ATOM 0 H VAL A 9 3.784 -7.986 -0.917 1.00 0.59 H new ATOM 0 HA VAL A 9 0.994 -8.594 -0.317 1.00 0.58 H new ATOM 0 HB VAL A 9 2.583 -10.258 -0.968 1.00 0.65 H new ATOM 0 HG11 VAL A 9 4.202 -11.169 0.670 1.00 1.86 H new ATOM 0 HG12 VAL A 9 4.626 -9.531 0.117 1.00 1.86 H new ATOM 0 HG13 VAL A 9 3.896 -9.767 1.723 1.00 1.86 H new ATOM 0 HG21 VAL A 9 1.915 -11.905 0.809 1.00 1.57 H new ATOM 0 HG22 VAL A 9 1.418 -10.545 1.845 1.00 1.57 H new ATOM 0 HG23 VAL A 9 0.564 -10.856 0.315 1.00 1.57 H new ATOM 131 N VAL A 10 0.827 -7.969 2.124 1.00 0.73 N ATOM 132 CA VAL A 10 0.580 -7.435 3.451 1.00 0.79 C ATOM 133 C VAL A 10 0.260 -8.616 4.368 1.00 0.97 C ATOM 134 O VAL A 10 -0.094 -9.698 3.901 1.00 1.74 O ATOM 135 CB VAL A 10 -0.589 -6.429 3.398 1.00 0.91 C ATOM 136 CG1 VAL A 10 -0.831 -5.766 4.761 1.00 1.87 C ATOM 137 CG2 VAL A 10 -0.319 -5.309 2.388 1.00 1.51 C ATOM 0 H VAL A 10 0.021 -8.468 1.748 1.00 0.73 H new ATOM 0 HA VAL A 10 1.451 -6.901 3.832 1.00 0.79 H new ATOM 0 HB VAL A 10 -1.465 -7.006 3.101 1.00 0.91 H new ATOM 0 HG11 VAL A 10 -1.662 -5.065 4.682 1.00 1.87 H new ATOM 0 HG12 VAL A 10 -1.070 -6.531 5.500 1.00 1.87 H new ATOM 0 HG13 VAL A 10 0.067 -5.231 5.070 1.00 1.87 H new ATOM 0 HG21 VAL A 10 -1.162 -4.618 2.376 1.00 1.51 H new ATOM 0 HG22 VAL A 10 0.586 -4.772 2.673 1.00 1.51 H new ATOM 0 HG23 VAL A 10 -0.188 -5.739 1.395 1.00 1.51 H new ATOM 147 N ARG A 11 0.371 -8.407 5.677 1.00 0.58 N ATOM 148 CA ARG A 11 -0.273 -9.246 6.666 1.00 0.62 C ATOM 149 C ARG A 11 -0.744 -8.373 7.821 1.00 0.55 C ATOM 150 O ARG A 11 -0.054 -7.434 8.207 1.00 0.69 O ATOM 151 CB ARG A 11 0.659 -10.362 7.144 1.00 0.95 C ATOM 152 CG ARG A 11 2.094 -9.915 7.445 1.00 1.58 C ATOM 153 CD ARG A 11 2.573 -10.550 8.753 1.00 2.54 C ATOM 154 NE ARG A 11 1.942 -9.860 9.885 1.00 4.59 N ATOM 155 CZ ARG A 11 1.575 -10.340 11.080 1.00 6.05 C ATOM 156 NH1 ARG A 11 1.594 -11.652 11.334 1.00 5.99 N ATOM 157 NH2 ARG A 11 1.189 -9.470 12.013 1.00 7.99 N ATOM 0 H ARG A 11 0.916 -7.643 6.077 1.00 0.58 H new ATOM 0 HA ARG A 11 -1.136 -9.737 6.216 1.00 0.62 H new ATOM 0 HB2 ARG A 11 0.236 -10.809 8.044 1.00 0.95 H new ATOM 0 HB3 ARG A 11 0.688 -11.143 6.384 1.00 0.95 H new ATOM 0 HG2 ARG A 11 2.754 -10.204 6.627 1.00 1.58 H new ATOM 0 HG3 ARG A 11 2.138 -8.828 7.520 1.00 1.58 H new ATOM 0 HD2 ARG A 11 2.319 -11.610 8.771 1.00 2.54 H new ATOM 0 HD3 ARG A 11 3.658 -10.481 8.829 1.00 2.54 H new ATOM 0 HE ARG A 11 1.756 -8.868 9.740 1.00 4.59 H new ATOM 0 HH11 ARG A 11 1.892 -12.307 10.611 1.00 5.99 H new ATOM 0 HH12 ARG A 11 1.311 -11.998 12.251 1.00 5.99 H new ATOM 0 HH21 ARG A 11 1.179 -8.471 11.806 1.00 7.99 H new ATOM 0 HH22 ARG A 11 0.903 -9.803 12.934 1.00 7.99 H new ATOM 171 N GLY A 12 -1.936 -8.677 8.339 1.00 0.72 N ATOM 172 CA GLY A 12 -2.593 -7.937 9.408 1.00 0.84 C ATOM 173 C GLY A 12 -3.986 -7.496 8.959 1.00 0.88 C ATOM 174 O GLY A 12 -4.920 -7.468 9.758 1.00 1.53 O ATOM 0 H GLY A 12 -2.485 -9.472 8.012 1.00 0.72 H new ATOM 0 HA2 GLY A 12 -2.669 -8.560 10.299 1.00 0.84 H new ATOM 0 HA3 GLY A 12 -1.996 -7.066 9.678 1.00 0.84 H new ATOM 178 N MET A 13 -4.137 -7.180 7.669 1.00 0.65 N ATOM 179 CA MET A 13 -5.434 -6.908 7.070 1.00 0.77 C ATOM 180 C MET A 13 -6.367 -8.096 7.293 1.00 0.87 C ATOM 181 O MET A 13 -6.106 -9.177 6.761 1.00 1.39 O ATOM 182 CB MET A 13 -5.281 -6.710 5.564 1.00 1.13 C ATOM 183 CG MET A 13 -4.585 -5.416 5.154 1.00 0.87 C ATOM 184 SD MET A 13 -4.020 -5.429 3.432 1.00 1.52 S ATOM 185 CE MET A 13 -5.456 -6.140 2.598 1.00 0.95 C ATOM 0 H MET A 13 -3.358 -7.107 7.015 1.00 0.65 H new ATOM 0 HA MET A 13 -5.844 -6.009 7.531 1.00 0.77 H new ATOM 0 HB2 MET A 13 -4.721 -7.552 5.157 1.00 1.13 H new ATOM 0 HB3 MET A 13 -6.270 -6.734 5.107 1.00 1.13 H new ATOM 0 HG2 MET A 13 -5.269 -4.580 5.299 1.00 0.87 H new ATOM 0 HG3 MET A 13 -3.731 -5.246 5.809 1.00 0.87 H new ATOM 0 HE1 MET A 13 -5.308 -6.097 1.519 1.00 0.95 H new ATOM 0 HE2 MET A 13 -5.579 -7.178 2.906 1.00 0.95 H new ATOM 0 HE3 MET A 13 -6.349 -5.575 2.865 1.00 0.95 H new ATOM 195 N THR A 14 -7.443 -7.882 8.054 1.00 0.75 N ATOM 196 CA THR A 14 -8.388 -8.924 8.440 1.00 1.06 C ATOM 197 C THR A 14 -9.834 -8.557 8.066 1.00 1.19 C ATOM 198 O THR A 14 -10.687 -9.435 7.954 1.00 2.40 O ATOM 199 CB THR A 14 -8.188 -9.231 9.937 1.00 1.28 C ATOM 200 OG1 THR A 14 -8.940 -10.359 10.325 1.00 2.21 O ATOM 201 CG2 THR A 14 -8.545 -8.052 10.850 1.00 1.06 C ATOM 0 H THR A 14 -7.683 -6.962 8.424 1.00 0.75 H new ATOM 0 HA THR A 14 -8.191 -9.837 7.878 1.00 1.06 H new ATOM 0 HB THR A 14 -7.123 -9.431 10.057 1.00 1.28 H new ATOM 0 HG1 THR A 14 -8.796 -10.536 11.278 1.00 2.21 H new ATOM 0 HG21 THR A 14 -8.382 -8.335 11.890 1.00 1.06 H new ATOM 0 HG22 THR A 14 -7.915 -7.197 10.603 1.00 1.06 H new ATOM 0 HG23 THR A 14 -9.592 -7.785 10.707 1.00 1.06 H new ATOM 209 N CYS A 15 -10.136 -7.269 7.854 1.00 0.83 N ATOM 210 CA CYS A 15 -11.504 -6.790 7.668 1.00 0.83 C ATOM 211 C CYS A 15 -11.492 -5.503 6.841 1.00 0.74 C ATOM 212 O CYS A 15 -10.518 -4.754 6.919 1.00 1.04 O ATOM 213 CB CYS A 15 -12.117 -6.550 9.055 1.00 1.13 C ATOM 214 SG CYS A 15 -13.654 -5.606 8.926 1.00 2.13 S ATOM 0 H CYS A 15 -9.433 -6.531 7.807 1.00 0.83 H new ATOM 0 HA CYS A 15 -12.102 -7.525 7.130 1.00 0.83 H new ATOM 0 HB2 CYS A 15 -12.312 -7.506 9.541 1.00 1.13 H new ATOM 0 HB3 CYS A 15 -11.407 -6.012 9.683 1.00 1.13 H new ATOM 0 HG CYS A 15 -14.150 -5.420 10.113 1.00 2.13 H new ATOM 220 N ALA A 16 -12.575 -5.239 6.092 1.00 0.64 N ATOM 221 CA ALA A 16 -12.856 -4.021 5.324 1.00 0.59 C ATOM 222 C ALA A 16 -12.253 -2.753 5.944 1.00 0.62 C ATOM 223 O ALA A 16 -11.652 -1.937 5.253 1.00 1.14 O ATOM 224 CB ALA A 16 -14.372 -3.851 5.189 1.00 0.67 C ATOM 0 H ALA A 16 -13.328 -5.921 6.003 1.00 0.64 H new ATOM 0 HA ALA A 16 -12.385 -4.145 4.349 1.00 0.59 H new ATOM 0 HB1 ALA A 16 -14.587 -2.947 4.619 1.00 0.67 H new ATOM 0 HB2 ALA A 16 -14.790 -4.715 4.672 1.00 0.67 H new ATOM 0 HB3 ALA A 16 -14.819 -3.770 6.180 1.00 0.67 H new ATOM 230 N SER A 17 -12.415 -2.604 7.258 1.00 0.46 N ATOM 231 CA SER A 17 -11.769 -1.589 8.081 1.00 0.46 C ATOM 232 C SER A 17 -10.300 -1.332 7.707 1.00 0.42 C ATOM 233 O SER A 17 -9.901 -0.213 7.397 1.00 0.64 O ATOM 234 CB SER A 17 -11.848 -2.079 9.520 1.00 0.71 C ATOM 235 OG SER A 17 -11.273 -3.375 9.620 1.00 0.86 O ATOM 0 H SER A 17 -13.027 -3.215 7.799 1.00 0.46 H new ATOM 0 HA SER A 17 -12.282 -0.640 7.928 1.00 0.46 H new ATOM 0 HB2 SER A 17 -11.324 -1.387 10.179 1.00 0.71 H new ATOM 0 HB3 SER A 17 -12.887 -2.106 9.848 1.00 0.71 H new ATOM 0 HG SER A 17 -11.954 -4.051 9.421 1.00 0.86 H new ATOM 241 N CYS A 18 -9.486 -2.383 7.773 1.00 0.53 N ATOM 242 CA CYS A 18 -8.062 -2.353 7.507 1.00 0.55 C ATOM 243 C CYS A 18 -7.882 -1.888 6.075 1.00 0.55 C ATOM 244 O CYS A 18 -7.082 -1.000 5.789 1.00 0.64 O ATOM 245 CB CYS A 18 -7.466 -3.759 7.661 1.00 0.84 C ATOM 246 SG CYS A 18 -7.692 -4.417 9.333 1.00 1.24 S ATOM 0 H CYS A 18 -9.821 -3.313 8.024 1.00 0.53 H new ATOM 0 HA CYS A 18 -7.558 -1.686 8.206 1.00 0.55 H new ATOM 0 HB2 CYS A 18 -7.934 -4.431 6.941 1.00 0.84 H new ATOM 0 HB3 CYS A 18 -6.402 -3.729 7.425 1.00 0.84 H new ATOM 0 HG CYS A 18 -6.840 -5.377 9.540 1.00 1.24 H new ATOM 252 N VAL A 19 -8.672 -2.500 5.192 1.00 0.56 N ATOM 253 CA VAL A 19 -8.667 -2.221 3.775 1.00 0.63 C ATOM 254 C VAL A 19 -8.800 -0.711 3.526 1.00 0.62 C ATOM 255 O VAL A 19 -7.850 -0.066 3.074 1.00 0.73 O ATOM 256 CB VAL A 19 -9.722 -3.107 3.078 1.00 0.66 C ATOM 257 CG1 VAL A 19 -10.369 -2.489 1.837 1.00 0.76 C ATOM 258 CG2 VAL A 19 -9.168 -4.497 2.758 1.00 0.94 C ATOM 0 H VAL A 19 -9.345 -3.218 5.459 1.00 0.56 H new ATOM 0 HA VAL A 19 -7.712 -2.488 3.321 1.00 0.63 H new ATOM 0 HB VAL A 19 -10.524 -3.196 3.811 1.00 0.66 H new ATOM 0 HG11 VAL A 19 -11.095 -3.187 1.419 1.00 0.76 H new ATOM 0 HG12 VAL A 19 -10.873 -1.563 2.113 1.00 0.76 H new ATOM 0 HG13 VAL A 19 -9.601 -2.277 1.094 1.00 0.76 H new ATOM 0 HG21 VAL A 19 -9.939 -5.092 2.268 1.00 0.94 H new ATOM 0 HG22 VAL A 19 -8.307 -4.402 2.096 1.00 0.94 H new ATOM 0 HG23 VAL A 19 -8.863 -4.988 3.682 1.00 0.94 H new ATOM 268 N HIS A 20 -9.954 -0.121 3.860 1.00 0.52 N ATOM 269 CA HIS A 20 -10.174 1.283 3.532 1.00 0.60 C ATOM 270 C HIS A 20 -9.291 2.195 4.385 1.00 0.56 C ATOM 271 O HIS A 20 -8.936 3.284 3.939 1.00 0.58 O ATOM 272 CB HIS A 20 -11.660 1.677 3.526 1.00 0.67 C ATOM 273 CG HIS A 20 -12.260 2.040 4.859 1.00 0.64 C ATOM 274 ND1 HIS A 20 -13.012 3.157 5.151 1.00 1.10 N ATOM 275 CD2 HIS A 20 -12.259 1.254 5.971 1.00 0.85 C ATOM 276 CE1 HIS A 20 -13.436 3.033 6.422 1.00 0.96 C ATOM 277 NE2 HIS A 20 -12.997 1.891 6.968 1.00 0.91 N ATOM 0 H HIS A 20 -10.726 -0.581 4.343 1.00 0.52 H new ATOM 0 HA HIS A 20 -9.858 1.429 2.499 1.00 0.60 H new ATOM 0 HB2 HIS A 20 -11.786 2.524 2.852 1.00 0.67 H new ATOM 0 HB3 HIS A 20 -12.232 0.849 3.108 1.00 0.67 H new ATOM 0 HD2 HIS A 20 -11.768 0.297 6.065 1.00 0.85 H new ATOM 0 HE1 HIS A 20 -14.050 3.759 6.935 1.00 0.96 H new ATOM 0 HE2 HIS A 20 -13.167 1.557 7.917 1.00 0.91 H new ATOM 285 N LYS A 21 -8.906 1.767 5.595 1.00 0.55 N ATOM 286 CA LYS A 21 -7.943 2.506 6.397 1.00 0.48 C ATOM 287 C LYS A 21 -6.640 2.698 5.617 1.00 0.43 C ATOM 288 O LYS A 21 -6.183 3.832 5.485 1.00 0.45 O ATOM 289 CB LYS A 21 -7.716 1.815 7.751 1.00 0.52 C ATOM 290 CG LYS A 21 -6.695 2.520 8.656 1.00 0.44 C ATOM 291 CD LYS A 21 -7.013 3.995 8.945 1.00 2.01 C ATOM 292 CE LYS A 21 -8.402 4.173 9.582 1.00 3.14 C ATOM 293 NZ LYS A 21 -8.659 5.572 9.979 1.00 4.51 N ATOM 0 H LYS A 21 -9.251 0.913 6.033 1.00 0.55 H new ATOM 0 HA LYS A 21 -8.344 3.497 6.611 1.00 0.48 H new ATOM 0 HB2 LYS A 21 -8.668 1.752 8.278 1.00 0.52 H new ATOM 0 HB3 LYS A 21 -7.382 0.793 7.573 1.00 0.52 H new ATOM 0 HG2 LYS A 21 -6.634 1.982 9.602 1.00 0.44 H new ATOM 0 HG3 LYS A 21 -5.711 2.458 8.190 1.00 0.44 H new ATOM 0 HD2 LYS A 21 -6.254 4.405 9.611 1.00 2.01 H new ATOM 0 HD3 LYS A 21 -6.964 4.565 8.017 1.00 2.01 H new ATOM 0 HE2 LYS A 21 -9.167 3.851 8.876 1.00 3.14 H new ATOM 0 HE3 LYS A 21 -8.484 3.528 10.457 1.00 3.14 H new ATOM 0 HZ1 LYS A 21 -9.606 5.644 10.403 1.00 4.51 H new ATOM 0 HZ2 LYS A 21 -7.945 5.873 10.673 1.00 4.51 H new ATOM 0 HZ3 LYS A 21 -8.607 6.186 9.141 1.00 4.51 H new ATOM 307 N ILE A 22 -6.046 1.613 5.104 1.00 0.41 N ATOM 308 CA ILE A 22 -4.834 1.698 4.289 1.00 0.40 C ATOM 309 C ILE A 22 -5.082 2.665 3.136 1.00 0.42 C ATOM 310 O ILE A 22 -4.399 3.682 3.019 1.00 0.41 O ATOM 311 CB ILE A 22 -4.412 0.307 3.771 1.00 0.39 C ATOM 312 CG1 ILE A 22 -3.937 -0.562 4.941 1.00 0.37 C ATOM 313 CG2 ILE A 22 -3.299 0.412 2.718 1.00 0.45 C ATOM 314 CD1 ILE A 22 -3.833 -2.045 4.581 1.00 0.43 C ATOM 0 H ILE A 22 -6.390 0.663 5.242 1.00 0.41 H new ATOM 0 HA ILE A 22 -4.013 2.071 4.901 1.00 0.40 H new ATOM 0 HB ILE A 22 -5.281 -0.153 3.299 1.00 0.39 H new ATOM 0 HG12 ILE A 22 -2.963 -0.207 5.278 1.00 0.37 H new ATOM 0 HG13 ILE A 22 -4.626 -0.444 5.777 1.00 0.37 H new ATOM 0 HG21 ILE A 22 -3.027 -0.586 2.376 1.00 0.45 H new ATOM 0 HG22 ILE A 22 -3.653 1.002 1.872 1.00 0.45 H new ATOM 0 HG23 ILE A 22 -2.426 0.895 3.158 1.00 0.45 H new ATOM 0 HD11 ILE A 22 -3.492 -2.607 5.450 1.00 0.43 H new ATOM 0 HD12 ILE A 22 -4.811 -2.414 4.271 1.00 0.43 H new ATOM 0 HD13 ILE A 22 -3.122 -2.172 3.765 1.00 0.43 H new ATOM 326 N GLU A 23 -6.063 2.347 2.293 1.00 0.48 N ATOM 327 CA GLU A 23 -6.306 3.088 1.066 1.00 0.50 C ATOM 328 C GLU A 23 -6.487 4.581 1.355 1.00 0.45 C ATOM 329 O GLU A 23 -5.800 5.414 0.769 1.00 0.52 O ATOM 330 CB GLU A 23 -7.498 2.456 0.341 1.00 0.65 C ATOM 331 CG GLU A 23 -7.108 1.045 -0.127 1.00 1.26 C ATOM 332 CD GLU A 23 -8.238 0.325 -0.846 1.00 2.02 C ATOM 333 OE1 GLU A 23 -9.405 0.584 -0.482 1.00 2.39 O ATOM 334 OE2 GLU A 23 -7.899 -0.493 -1.727 1.00 3.25 O ATOM 0 H GLU A 23 -6.707 1.571 2.444 1.00 0.48 H new ATOM 0 HA GLU A 23 -5.442 3.026 0.404 1.00 0.50 H new ATOM 0 HB2 GLU A 23 -8.360 2.407 1.006 1.00 0.65 H new ATOM 0 HB3 GLU A 23 -7.788 3.069 -0.512 1.00 0.65 H new ATOM 0 HG2 GLU A 23 -6.247 1.114 -0.792 1.00 1.26 H new ATOM 0 HG3 GLU A 23 -6.799 0.454 0.735 1.00 1.26 H new ATOM 341 N SER A 24 -7.367 4.915 2.300 1.00 0.44 N ATOM 342 CA SER A 24 -7.611 6.287 2.723 1.00 0.47 C ATOM 343 C SER A 24 -6.337 6.931 3.280 1.00 0.47 C ATOM 344 O SER A 24 -6.075 8.103 3.021 1.00 0.62 O ATOM 345 CB SER A 24 -8.739 6.309 3.763 1.00 0.55 C ATOM 346 OG SER A 24 -9.130 7.635 4.069 1.00 0.95 O ATOM 0 H SER A 24 -7.935 4.229 2.797 1.00 0.44 H new ATOM 0 HA SER A 24 -7.916 6.873 1.856 1.00 0.47 H new ATOM 0 HB2 SER A 24 -9.597 5.753 3.384 1.00 0.55 H new ATOM 0 HB3 SER A 24 -8.409 5.806 4.672 1.00 0.55 H new ATOM 0 HG SER A 24 -9.851 7.619 4.733 1.00 0.95 H new ATOM 352 N SER A 25 -5.570 6.201 4.095 1.00 0.37 N ATOM 353 CA SER A 25 -4.362 6.739 4.704 1.00 0.36 C ATOM 354 C SER A 25 -3.308 7.042 3.653 1.00 0.38 C ATOM 355 O SER A 25 -2.572 8.012 3.804 1.00 0.72 O ATOM 356 CB SER A 25 -3.818 5.772 5.754 1.00 0.39 C ATOM 357 OG SER A 25 -2.765 6.353 6.500 1.00 0.81 O ATOM 0 H SER A 25 -5.770 5.233 4.346 1.00 0.37 H new ATOM 0 HA SER A 25 -4.619 7.676 5.198 1.00 0.36 H new ATOM 0 HB2 SER A 25 -4.622 5.476 6.428 1.00 0.39 H new ATOM 0 HB3 SER A 25 -3.461 4.866 5.265 1.00 0.39 H new ATOM 0 HG SER A 25 -2.853 6.099 7.442 1.00 0.81 H new ATOM 363 N LEU A 26 -3.202 6.214 2.613 1.00 0.37 N ATOM 364 CA LEU A 26 -2.282 6.511 1.534 1.00 0.49 C ATOM 365 C LEU A 26 -2.786 7.660 0.655 1.00 0.54 C ATOM 366 O LEU A 26 -2.052 8.620 0.406 1.00 0.64 O ATOM 367 CB LEU A 26 -1.912 5.277 0.722 1.00 0.60 C ATOM 368 CG LEU A 26 -1.408 4.096 1.560 1.00 0.70 C ATOM 369 CD1 LEU A 26 -1.571 2.821 0.733 1.00 2.01 C ATOM 370 CD2 LEU A 26 0.057 4.272 1.970 1.00 1.46 C ATOM 0 H LEU A 26 -3.734 5.351 2.502 1.00 0.37 H new ATOM 0 HA LEU A 26 -1.357 6.851 1.999 1.00 0.49 H new ATOM 0 HB2 LEU A 26 -2.784 4.957 0.152 1.00 0.60 H new ATOM 0 HB3 LEU A 26 -1.142 5.549 -0.000 1.00 0.60 H new ATOM 0 HG LEU A 26 -1.992 4.039 2.479 1.00 0.70 H new ATOM 0 HD11 LEU A 26 -1.218 1.966 1.310 1.00 2.01 H new ATOM 0 HD12 LEU A 26 -2.623 2.681 0.483 1.00 2.01 H new ATOM 0 HD13 LEU A 26 -0.988 2.905 -0.184 1.00 2.01 H new ATOM 0 HD21 LEU A 26 0.375 3.414 2.562 1.00 1.46 H new ATOM 0 HD22 LEU A 26 0.678 4.347 1.077 1.00 1.46 H new ATOM 0 HD23 LEU A 26 0.162 5.181 2.563 1.00 1.46 H new ATOM 382 N THR A 27 -4.025 7.562 0.160 1.00 0.55 N ATOM 383 CA THR A 27 -4.618 8.523 -0.767 1.00 0.69 C ATOM 384 C THR A 27 -4.830 9.879 -0.080 1.00 1.06 C ATOM 385 O THR A 27 -5.938 10.252 0.295 1.00 2.51 O ATOM 386 CB THR A 27 -5.901 7.931 -1.367 1.00 0.77 C ATOM 387 OG1 THR A 27 -5.582 6.660 -1.899 1.00 1.63 O ATOM 388 CG2 THR A 27 -6.452 8.793 -2.510 1.00 1.45 C ATOM 0 H THR A 27 -4.654 6.795 0.400 1.00 0.55 H new ATOM 0 HA THR A 27 -3.937 8.715 -1.596 1.00 0.69 H new ATOM 0 HB THR A 27 -6.655 7.878 -0.582 1.00 0.77 H new ATOM 0 HG1 THR A 27 -5.517 6.008 -1.171 1.00 1.63 H new ATOM 0 HG21 THR A 27 -7.360 8.337 -2.905 1.00 1.45 H new ATOM 0 HG22 THR A 27 -6.681 9.791 -2.136 1.00 1.45 H new ATOM 0 HG23 THR A 27 -5.708 8.865 -3.303 1.00 1.45 H new ATOM 396 N LYS A 28 -3.719 10.599 0.069 1.00 1.14 N ATOM 397 CA LYS A 28 -3.534 11.832 0.817 1.00 1.00 C ATOM 398 C LYS A 28 -2.076 12.305 0.723 1.00 0.70 C ATOM 399 O LYS A 28 -1.844 13.511 0.723 1.00 0.77 O ATOM 400 CB LYS A 28 -3.982 11.694 2.285 1.00 1.17 C ATOM 401 CG LYS A 28 -3.206 10.644 3.082 1.00 1.60 C ATOM 402 CD LYS A 28 -2.006 11.175 3.886 1.00 3.11 C ATOM 403 CE LYS A 28 -2.389 11.601 5.311 1.00 3.32 C ATOM 404 NZ LYS A 28 -3.403 12.674 5.325 1.00 3.91 N ATOM 0 H LYS A 28 -2.849 10.303 -0.373 1.00 1.14 H new ATOM 0 HA LYS A 28 -4.173 12.589 0.364 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -3.875 12.660 2.778 1.00 1.17 H new ATOM 0 HB3 LYS A 28 -5.042 11.440 2.307 1.00 1.17 H new ATOM 0 HG2 LYS A 28 -3.894 10.154 3.771 1.00 1.60 H new ATOM 0 HG3 LYS A 28 -2.849 9.880 2.391 1.00 1.60 H new ATOM 0 HD2 LYS A 28 -1.237 10.404 3.936 1.00 3.11 H new ATOM 0 HD3 LYS A 28 -1.570 12.026 3.362 1.00 3.11 H new ATOM 0 HE2 LYS A 28 -2.771 10.737 5.855 1.00 3.32 H new ATOM 0 HE3 LYS A 28 -1.497 11.941 5.838 1.00 3.32 H new ATOM 0 HZ1 LYS A 28 -3.591 12.962 6.307 1.00 3.91 H new ATOM 0 HZ2 LYS A 28 -3.051 13.491 4.786 1.00 3.91 H new ATOM 0 HZ3 LYS A 28 -4.282 12.326 4.892 1.00 3.91 H new ATOM 418 N HIS A 29 -1.085 11.396 0.667 1.00 0.54 N ATOM 419 CA HIS A 29 0.322 11.807 0.615 1.00 0.62 C ATOM 420 C HIS A 29 0.637 12.746 -0.557 1.00 1.14 C ATOM 421 O HIS A 29 1.572 13.538 -0.476 1.00 2.77 O ATOM 422 CB HIS A 29 1.254 10.599 0.502 1.00 0.63 C ATOM 423 CG HIS A 29 1.156 9.585 1.608 1.00 0.54 C ATOM 424 ND1 HIS A 29 1.682 9.700 2.874 1.00 1.34 N ATOM 425 CD2 HIS A 29 0.689 8.308 1.473 1.00 0.82 C ATOM 426 CE1 HIS A 29 1.497 8.518 3.488 1.00 1.25 C ATOM 427 NE2 HIS A 29 0.901 7.642 2.674 1.00 0.87 N ATOM 0 H HIS A 29 -1.233 10.387 0.657 1.00 0.54 H new ATOM 0 HA HIS A 29 0.491 12.341 1.550 1.00 0.62 H new ATOM 0 HB2 HIS A 29 1.052 10.096 -0.444 1.00 0.63 H new ATOM 0 HB3 HIS A 29 2.281 10.961 0.457 1.00 0.63 H new ATOM 0 HD1 HIS A 29 2.128 10.526 3.272 1.00 1.34 H new ATOM 0 HD2 HIS A 29 0.234 7.889 0.587 1.00 0.82 H new ATOM 0 HE1 HIS A 29 1.791 8.305 4.505 1.00 1.25 H new ATOM 435 N ARG A 30 -0.091 12.609 -1.671 1.00 0.84 N ATOM 436 CA ARG A 30 0.150 13.349 -2.906 1.00 0.92 C ATOM 437 C ARG A 30 1.477 12.898 -3.548 1.00 1.13 C ATOM 438 O ARG A 30 2.220 13.690 -4.128 1.00 2.02 O ATOM 439 CB ARG A 30 0.033 14.870 -2.653 1.00 1.10 C ATOM 440 CG ARG A 30 -0.339 15.703 -3.897 1.00 2.06 C ATOM 441 CD ARG A 30 0.661 16.844 -4.140 1.00 2.97 C ATOM 442 NE ARG A 30 1.973 16.260 -4.431 1.00 4.63 N ATOM 443 CZ ARG A 30 3.152 16.603 -3.900 1.00 5.81 C ATOM 444 NH1 ARG A 30 3.386 17.864 -3.521 1.00 5.63 N ATOM 445 NH2 ARG A 30 4.067 15.643 -3.745 1.00 7.61 N ATOM 0 H ARG A 30 -0.880 11.966 -1.736 1.00 0.84 H new ATOM 0 HA ARG A 30 -0.620 13.120 -3.643 1.00 0.92 H new ATOM 0 HB2 ARG A 30 -0.718 15.040 -1.881 1.00 1.10 H new ATOM 0 HB3 ARG A 30 0.982 15.233 -2.260 1.00 1.10 H new ATOM 0 HG2 ARG A 30 -0.370 15.055 -4.773 1.00 2.06 H new ATOM 0 HG3 ARG A 30 -1.339 16.117 -3.771 1.00 2.06 H new ATOM 0 HD2 ARG A 30 0.331 17.466 -4.972 1.00 2.97 H new ATOM 0 HD3 ARG A 30 0.720 17.489 -3.263 1.00 2.97 H new ATOM 0 HE ARG A 30 1.989 15.505 -5.117 1.00 4.63 H new ATOM 0 HH11 ARG A 30 2.662 18.574 -3.636 1.00 5.63 H new ATOM 0 HH12 ARG A 30 4.288 18.116 -3.117 1.00 5.63 H new ATOM 0 HH21 ARG A 30 3.855 14.686 -4.028 1.00 7.61 H new ATOM 0 HH22 ARG A 30 4.978 15.866 -3.344 1.00 7.61 H new ATOM 459 N GLY A 31 1.765 11.598 -3.472 1.00 0.61 N ATOM 460 CA GLY A 31 2.800 10.947 -4.275 1.00 0.73 C ATOM 461 C GLY A 31 2.434 9.514 -4.670 1.00 0.73 C ATOM 462 O GLY A 31 3.192 8.839 -5.366 1.00 0.99 O ATOM 0 H GLY A 31 1.279 10.959 -2.842 1.00 0.61 H new ATOM 0 HA2 GLY A 31 2.976 11.533 -5.177 1.00 0.73 H new ATOM 0 HA3 GLY A 31 3.735 10.937 -3.714 1.00 0.73 H new ATOM 466 N ILE A 32 1.272 9.045 -4.208 1.00 0.69 N ATOM 467 CA ILE A 32 0.666 7.794 -4.608 1.00 0.66 C ATOM 468 C ILE A 32 -0.396 8.133 -5.657 1.00 0.68 C ATOM 469 O ILE A 32 -1.236 9.000 -5.423 1.00 0.82 O ATOM 470 CB ILE A 32 0.128 7.043 -3.375 1.00 0.66 C ATOM 471 CG1 ILE A 32 -0.652 5.804 -3.831 1.00 1.84 C ATOM 472 CG2 ILE A 32 -0.710 7.907 -2.425 1.00 2.02 C ATOM 473 CD1 ILE A 32 -1.012 4.882 -2.668 1.00 2.66 C ATOM 0 H ILE A 32 0.715 9.552 -3.520 1.00 0.69 H new ATOM 0 HA ILE A 32 1.382 7.106 -5.058 1.00 0.66 H new ATOM 0 HB ILE A 32 0.996 6.744 -2.787 1.00 0.66 H new ATOM 0 HG12 ILE A 32 -1.564 6.119 -4.338 1.00 1.84 H new ATOM 0 HG13 ILE A 32 -0.058 5.251 -4.559 1.00 1.84 H new ATOM 0 HG21 ILE A 32 -1.049 7.301 -1.585 1.00 2.02 H new ATOM 0 HG22 ILE A 32 -0.104 8.734 -2.055 1.00 2.02 H new ATOM 0 HG23 ILE A 32 -1.574 8.302 -2.959 1.00 2.02 H new ATOM 0 HD11 ILE A 32 -1.563 4.020 -3.044 1.00 2.66 H new ATOM 0 HD12 ILE A 32 -0.100 4.543 -2.177 1.00 2.66 H new ATOM 0 HD13 ILE A 32 -1.630 5.424 -1.952 1.00 2.66 H new ATOM 485 N LEU A 33 -0.333 7.471 -6.813 1.00 0.69 N ATOM 486 CA LEU A 33 -1.262 7.635 -7.919 1.00 0.79 C ATOM 487 C LEU A 33 -2.510 6.812 -7.656 1.00 0.72 C ATOM 488 O LEU A 33 -3.620 7.275 -7.914 1.00 0.79 O ATOM 489 CB LEU A 33 -0.610 7.168 -9.230 1.00 0.93 C ATOM 490 CG LEU A 33 0.620 7.986 -9.649 1.00 1.03 C ATOM 491 CD1 LEU A 33 1.324 7.273 -10.809 1.00 1.85 C ATOM 492 CD2 LEU A 33 0.217 9.401 -10.081 1.00 1.31 C ATOM 0 H LEU A 33 0.394 6.783 -7.006 1.00 0.69 H new ATOM 0 HA LEU A 33 -1.527 8.689 -8.008 1.00 0.79 H new ATOM 0 HB2 LEU A 33 -0.319 6.123 -9.125 1.00 0.93 H new ATOM 0 HB3 LEU A 33 -1.351 7.214 -10.028 1.00 0.93 H new ATOM 0 HG LEU A 33 1.294 8.070 -8.796 1.00 1.03 H new ATOM 0 HD11 LEU A 33 2.199 7.848 -11.112 1.00 1.85 H new ATOM 0 HD12 LEU A 33 1.636 6.279 -10.489 1.00 1.85 H new ATOM 0 HD13 LEU A 33 0.638 7.184 -11.652 1.00 1.85 H new ATOM 0 HD21 LEU A 33 1.106 9.960 -10.373 1.00 1.31 H new ATOM 0 HD22 LEU A 33 -0.468 9.342 -10.927 1.00 1.31 H new ATOM 0 HD23 LEU A 33 -0.274 9.909 -9.251 1.00 1.31 H new ATOM 504 N TYR A 34 -2.334 5.578 -7.181 1.00 0.64 N ATOM 505 CA TYR A 34 -3.448 4.678 -6.998 1.00 0.63 C ATOM 506 C TYR A 34 -3.148 3.692 -5.882 1.00 0.51 C ATOM 507 O TYR A 34 -1.984 3.413 -5.594 1.00 0.52 O ATOM 508 CB TYR A 34 -3.732 3.957 -8.320 1.00 0.78 C ATOM 509 CG TYR A 34 -5.084 3.298 -8.350 1.00 0.84 C ATOM 510 CD1 TYR A 34 -6.226 4.090 -8.158 1.00 1.68 C ATOM 511 CD2 TYR A 34 -5.198 1.899 -8.420 1.00 2.01 C ATOM 512 CE1 TYR A 34 -7.464 3.484 -7.918 1.00 1.74 C ATOM 513 CE2 TYR A 34 -6.459 1.300 -8.289 1.00 2.10 C ATOM 514 CZ TYR A 34 -7.585 2.084 -7.983 1.00 1.14 C ATOM 515 OH TYR A 34 -8.794 1.484 -7.798 1.00 1.40 O ATOM 0 H TYR A 34 -1.428 5.190 -6.920 1.00 0.64 H new ATOM 0 HA TYR A 34 -4.336 5.240 -6.709 1.00 0.63 H new ATOM 0 HB2 TYR A 34 -3.664 4.672 -9.140 1.00 0.78 H new ATOM 0 HB3 TYR A 34 -2.963 3.204 -8.490 1.00 0.78 H new ATOM 0 HD1 TYR A 34 -6.150 5.167 -8.195 1.00 1.68 H new ATOM 0 HD2 TYR A 34 -4.320 1.289 -8.574 1.00 2.01 H new ATOM 0 HE1 TYR A 34 -8.326 4.091 -7.683 1.00 1.74 H new ATOM 0 HE2 TYR A 34 -6.565 0.234 -8.424 1.00 2.10 H new ATOM 0 HH TYR A 34 -8.693 0.513 -7.878 1.00 1.40 H new ATOM 525 N CYS A 35 -4.210 3.172 -5.273 1.00 0.53 N ATOM 526 CA CYS A 35 -4.178 2.197 -4.202 1.00 0.51 C ATOM 527 C CYS A 35 -5.298 1.199 -4.474 1.00 0.75 C ATOM 528 O CYS A 35 -6.378 1.582 -4.921 1.00 1.66 O ATOM 529 CB CYS A 35 -4.330 2.890 -2.842 1.00 0.61 C ATOM 530 SG CYS A 35 -5.973 3.620 -2.649 1.00 3.03 S ATOM 0 H CYS A 35 -5.161 3.437 -5.531 1.00 0.53 H new ATOM 0 HA CYS A 35 -3.223 1.672 -4.167 1.00 0.51 H new ATOM 0 HB2 CYS A 35 -4.155 2.169 -2.044 1.00 0.61 H new ATOM 0 HB3 CYS A 35 -3.572 3.667 -2.742 1.00 0.61 H new ATOM 0 HG CYS A 35 -5.865 4.911 -2.547 1.00 3.03 H new ATOM 536 N SER A 36 -5.000 -0.085 -4.293 1.00 0.49 N ATOM 537 CA SER A 36 -5.936 -1.180 -4.454 1.00 0.58 C ATOM 538 C SER A 36 -5.483 -2.303 -3.523 1.00 0.49 C ATOM 539 O SER A 36 -4.696 -3.160 -3.938 1.00 0.51 O ATOM 540 CB SER A 36 -6.019 -1.575 -5.938 1.00 0.88 C ATOM 541 OG SER A 36 -6.346 -2.939 -6.118 1.00 2.29 O ATOM 0 H SER A 36 -4.067 -0.396 -4.021 1.00 0.49 H new ATOM 0 HA SER A 36 -6.954 -0.909 -4.174 1.00 0.58 H new ATOM 0 HB2 SER A 36 -6.767 -0.957 -6.434 1.00 0.88 H new ATOM 0 HB3 SER A 36 -5.064 -1.367 -6.420 1.00 0.88 H new ATOM 0 HG SER A 36 -6.389 -3.142 -7.076 1.00 2.29 H new ATOM 547 N VAL A 37 -5.943 -2.280 -2.267 1.00 0.47 N ATOM 548 CA VAL A 37 -5.551 -3.241 -1.247 1.00 0.44 C ATOM 549 C VAL A 37 -6.541 -4.412 -1.223 1.00 0.46 C ATOM 550 O VAL A 37 -7.589 -4.384 -0.578 1.00 0.59 O ATOM 551 CB VAL A 37 -5.231 -2.529 0.089 1.00 0.55 C ATOM 552 CG1 VAL A 37 -6.388 -2.388 1.074 1.00 1.04 C ATOM 553 CG2 VAL A 37 -4.086 -3.259 0.788 1.00 1.66 C ATOM 0 H VAL A 37 -6.607 -1.581 -1.933 1.00 0.47 H new ATOM 0 HA VAL A 37 -4.601 -3.720 -1.486 1.00 0.44 H new ATOM 0 HB VAL A 37 -4.972 -1.510 -0.200 1.00 0.55 H new ATOM 0 HG11 VAL A 37 -6.042 -1.874 1.971 1.00 1.04 H new ATOM 0 HG12 VAL A 37 -7.190 -1.812 0.613 1.00 1.04 H new ATOM 0 HG13 VAL A 37 -6.759 -3.377 1.343 1.00 1.04 H new ATOM 0 HG21 VAL A 37 -3.858 -2.760 1.730 1.00 1.66 H new ATOM 0 HG22 VAL A 37 -4.379 -4.290 0.985 1.00 1.66 H new ATOM 0 HG23 VAL A 37 -3.203 -3.248 0.148 1.00 1.66 H new ATOM 563 N ALA A 38 -6.228 -5.460 -1.987 1.00 0.51 N ATOM 564 CA ALA A 38 -7.141 -6.551 -2.245 1.00 0.56 C ATOM 565 C ALA A 38 -6.993 -7.593 -1.142 1.00 0.50 C ATOM 566 O ALA A 38 -6.161 -8.496 -1.241 1.00 0.52 O ATOM 567 CB ALA A 38 -6.862 -7.115 -3.639 1.00 0.69 C ATOM 0 H ALA A 38 -5.322 -5.567 -2.444 1.00 0.51 H new ATOM 0 HA ALA A 38 -8.177 -6.212 -2.234 1.00 0.56 H new ATOM 0 HB1 ALA A 38 -7.546 -7.939 -3.842 1.00 0.69 H new ATOM 0 HB2 ALA A 38 -7.006 -6.332 -4.384 1.00 0.69 H new ATOM 0 HB3 ALA A 38 -5.835 -7.477 -3.686 1.00 0.69 H new ATOM 573 N LEU A 39 -7.826 -7.474 -0.103 1.00 0.53 N ATOM 574 CA LEU A 39 -7.919 -8.411 1.019 1.00 0.56 C ATOM 575 C LEU A 39 -7.856 -9.866 0.548 1.00 0.56 C ATOM 576 O LEU A 39 -7.150 -10.684 1.133 1.00 0.59 O ATOM 577 CB LEU A 39 -9.213 -8.155 1.814 1.00 0.71 C ATOM 578 CG LEU A 39 -9.034 -8.250 3.340 1.00 1.11 C ATOM 579 CD1 LEU A 39 -10.374 -7.976 4.033 1.00 1.65 C ATOM 580 CD2 LEU A 39 -8.517 -9.618 3.799 1.00 1.87 C ATOM 0 H LEU A 39 -8.477 -6.694 -0.018 1.00 0.53 H new ATOM 0 HA LEU A 39 -7.061 -8.242 1.669 1.00 0.56 H new ATOM 0 HB2 LEU A 39 -9.593 -7.164 1.563 1.00 0.71 H new ATOM 0 HB3 LEU A 39 -9.969 -8.875 1.501 1.00 0.71 H new ATOM 0 HG LEU A 39 -8.288 -7.505 3.614 1.00 1.11 H new ATOM 0 HD11 LEU A 39 -10.245 -8.044 5.113 1.00 1.65 H new ATOM 0 HD12 LEU A 39 -10.722 -6.977 3.771 1.00 1.65 H new ATOM 0 HD13 LEU A 39 -11.109 -8.713 3.708 1.00 1.65 H new ATOM 0 HD21 LEU A 39 -8.412 -9.622 4.884 1.00 1.87 H new ATOM 0 HD22 LEU A 39 -9.223 -10.393 3.500 1.00 1.87 H new ATOM 0 HD23 LEU A 39 -7.548 -9.814 3.340 1.00 1.87 H new ATOM 592 N ALA A 40 -8.559 -10.171 -0.548 1.00 0.59 N ATOM 593 CA ALA A 40 -8.647 -11.507 -1.126 1.00 0.68 C ATOM 594 C ALA A 40 -7.270 -12.132 -1.367 1.00 0.70 C ATOM 595 O ALA A 40 -7.116 -13.345 -1.265 1.00 0.83 O ATOM 596 CB ALA A 40 -9.426 -11.436 -2.441 1.00 0.75 C ATOM 0 H ALA A 40 -9.094 -9.475 -1.067 1.00 0.59 H new ATOM 0 HA ALA A 40 -9.166 -12.146 -0.411 1.00 0.68 H new ATOM 0 HB1 ALA A 40 -9.495 -12.432 -2.877 1.00 0.75 H new ATOM 0 HB2 ALA A 40 -10.429 -11.054 -2.250 1.00 0.75 H new ATOM 0 HB3 ALA A 40 -8.910 -10.771 -3.134 1.00 0.75 H new ATOM 602 N THR A 41 -6.282 -11.299 -1.705 1.00 0.62 N ATOM 603 CA THR A 41 -4.907 -11.700 -1.964 1.00 0.66 C ATOM 604 C THR A 41 -3.958 -11.041 -0.951 1.00 0.59 C ATOM 605 O THR A 41 -2.748 -11.037 -1.171 1.00 0.65 O ATOM 606 CB THR A 41 -4.577 -11.366 -3.432 1.00 0.74 C ATOM 607 OG1 THR A 41 -3.230 -11.636 -3.755 1.00 1.50 O ATOM 608 CG2 THR A 41 -4.923 -9.930 -3.821 1.00 1.32 C ATOM 0 H THR A 41 -6.428 -10.295 -1.808 1.00 0.62 H new ATOM 0 HA THR A 41 -4.775 -12.774 -1.830 1.00 0.66 H new ATOM 0 HB THR A 41 -5.217 -12.028 -4.016 1.00 0.74 H new ATOM 0 HG1 THR A 41 -2.685 -11.601 -2.941 1.00 1.50 H new ATOM 0 HG21 THR A 41 -4.665 -9.764 -4.867 1.00 1.32 H new ATOM 0 HG22 THR A 41 -5.991 -9.762 -3.680 1.00 1.32 H new ATOM 0 HG23 THR A 41 -4.361 -9.238 -3.194 1.00 1.32 H new ATOM 616 N ASN A 42 -4.510 -10.486 0.139 1.00 0.54 N ATOM 617 CA ASN A 42 -3.846 -9.696 1.172 1.00 0.52 C ATOM 618 C ASN A 42 -2.646 -8.912 0.626 1.00 0.50 C ATOM 619 O ASN A 42 -1.532 -9.035 1.127 1.00 0.56 O ATOM 620 CB ASN A 42 -3.516 -10.584 2.389 1.00 0.73 C ATOM 621 CG ASN A 42 -3.771 -9.861 3.713 1.00 1.19 C ATOM 622 OD1 ASN A 42 -2.963 -9.065 4.178 1.00 3.00 O ATOM 623 ND2 ASN A 42 -4.918 -10.137 4.334 1.00 1.15 N ATOM 0 H ASN A 42 -5.507 -10.589 0.330 1.00 0.54 H new ATOM 0 HA ASN A 42 -4.534 -8.926 1.521 1.00 0.52 H new ATOM 0 HB2 ASN A 42 -4.119 -11.491 2.350 1.00 0.73 H new ATOM 0 HB3 ASN A 42 -2.472 -10.893 2.340 1.00 0.73 H new ATOM 0 HD21 ASN A 42 -5.141 -9.681 5.219 1.00 1.15 H new ATOM 0 HD22 ASN A 42 -5.572 -10.804 3.924 1.00 1.15 H new ATOM 630 N LYS A 43 -2.872 -8.120 -0.428 1.00 0.48 N ATOM 631 CA LYS A 43 -1.822 -7.398 -1.139 1.00 0.51 C ATOM 632 C LYS A 43 -2.309 -5.992 -1.456 1.00 0.45 C ATOM 633 O LYS A 43 -3.504 -5.794 -1.666 1.00 0.48 O ATOM 634 CB LYS A 43 -1.386 -8.187 -2.395 1.00 0.60 C ATOM 635 CG LYS A 43 -0.961 -7.374 -3.633 1.00 0.64 C ATOM 636 CD LYS A 43 -2.169 -6.967 -4.502 1.00 0.74 C ATOM 637 CE LYS A 43 -2.493 -8.043 -5.539 1.00 0.78 C ATOM 638 NZ LYS A 43 -1.453 -8.128 -6.580 1.00 1.11 N ATOM 0 H LYS A 43 -3.803 -7.963 -0.813 1.00 0.48 H new ATOM 0 HA LYS A 43 -0.934 -7.303 -0.514 1.00 0.51 H new ATOM 0 HB2 LYS A 43 -0.554 -8.833 -2.115 1.00 0.60 H new ATOM 0 HB3 LYS A 43 -2.210 -8.838 -2.687 1.00 0.60 H new ATOM 0 HG2 LYS A 43 -0.427 -6.479 -3.313 1.00 0.64 H new ATOM 0 HG3 LYS A 43 -0.266 -7.963 -4.232 1.00 0.64 H new ATOM 0 HD2 LYS A 43 -3.038 -6.799 -3.865 1.00 0.74 H new ATOM 0 HD3 LYS A 43 -1.956 -6.025 -5.007 1.00 0.74 H new ATOM 0 HE2 LYS A 43 -2.591 -9.009 -5.043 1.00 0.78 H new ATOM 0 HE3 LYS A 43 -3.455 -7.824 -6.003 1.00 0.78 H new ATOM 0 HZ1 LYS A 43 -1.645 -8.943 -7.196 1.00 1.11 H new ATOM 0 HZ2 LYS A 43 -1.458 -7.256 -7.147 1.00 1.11 H new ATOM 0 HZ3 LYS A 43 -0.522 -8.244 -6.132 1.00 1.11 H new ATOM 652 N ALA A 44 -1.370 -5.044 -1.521 1.00 0.45 N ATOM 653 CA ALA A 44 -1.586 -3.706 -2.036 1.00 0.46 C ATOM 654 C ALA A 44 -1.017 -3.648 -3.442 1.00 0.51 C ATOM 655 O ALA A 44 0.196 -3.756 -3.607 1.00 0.63 O ATOM 656 CB ALA A 44 -0.948 -2.647 -1.127 1.00 0.54 C ATOM 0 H ALA A 44 -0.413 -5.200 -1.205 1.00 0.45 H new ATOM 0 HA ALA A 44 -2.653 -3.485 -2.060 1.00 0.46 H new ATOM 0 HB1 ALA A 44 -1.128 -1.655 -1.542 1.00 0.54 H new ATOM 0 HB2 ALA A 44 -1.388 -2.709 -0.131 1.00 0.54 H new ATOM 0 HB3 ALA A 44 0.126 -2.823 -1.061 1.00 0.54 H new ATOM 662 N HIS A 45 -1.890 -3.478 -4.437 1.00 0.48 N ATOM 663 CA HIS A 45 -1.500 -2.887 -5.703 1.00 0.43 C ATOM 664 C HIS A 45 -1.518 -1.396 -5.442 1.00 0.42 C ATOM 665 O HIS A 45 -2.579 -0.770 -5.421 1.00 0.50 O ATOM 666 CB HIS A 45 -2.474 -3.297 -6.814 1.00 0.47 C ATOM 667 CG HIS A 45 -1.999 -3.004 -8.213 1.00 0.52 C ATOM 668 ND1 HIS A 45 -1.721 -3.932 -9.185 1.00 0.66 N ATOM 669 CD2 HIS A 45 -1.525 -1.808 -8.655 1.00 0.64 C ATOM 670 CE1 HIS A 45 -1.130 -3.288 -10.207 1.00 0.74 C ATOM 671 NE2 HIS A 45 -1.011 -1.972 -9.949 1.00 0.76 N ATOM 0 H HIS A 45 -2.873 -3.745 -4.383 1.00 0.48 H new ATOM 0 HA HIS A 45 -0.520 -3.219 -6.046 1.00 0.43 H new ATOM 0 HB2 HIS A 45 -2.670 -4.366 -6.729 1.00 0.47 H new ATOM 0 HB3 HIS A 45 -3.423 -2.785 -6.653 1.00 0.47 H new ATOM 0 HD1 HIS A 45 -1.926 -4.930 -9.140 1.00 0.66 H new ATOM 0 HD2 HIS A 45 -1.542 -0.882 -8.099 1.00 0.64 H new ATOM 0 HE1 HIS A 45 -0.795 -3.764 -11.116 1.00 0.74 H new ATOM 679 N ILE A 46 -0.343 -0.835 -5.194 1.00 0.45 N ATOM 680 CA ILE A 46 -0.168 0.596 -5.140 1.00 0.42 C ATOM 681 C ILE A 46 0.500 0.998 -6.443 1.00 0.49 C ATOM 682 O ILE A 46 1.266 0.229 -7.022 1.00 0.77 O ATOM 683 CB ILE A 46 0.606 0.960 -3.867 1.00 0.49 C ATOM 684 CG1 ILE A 46 -0.386 0.800 -2.702 1.00 0.75 C ATOM 685 CG2 ILE A 46 1.183 2.378 -3.935 1.00 0.60 C ATOM 686 CD1 ILE A 46 0.296 0.778 -1.340 1.00 0.95 C ATOM 0 H ILE A 46 0.512 -1.366 -5.026 1.00 0.45 H new ATOM 0 HA ILE A 46 -1.103 1.152 -5.066 1.00 0.42 H new ATOM 0 HB ILE A 46 1.469 0.308 -3.736 1.00 0.49 H new ATOM 0 HG12 ILE A 46 -1.105 1.619 -2.729 1.00 0.75 H new ATOM 0 HG13 ILE A 46 -0.949 -0.124 -2.835 1.00 0.75 H new ATOM 0 HG21 ILE A 46 1.723 2.595 -3.014 1.00 0.60 H new ATOM 0 HG22 ILE A 46 1.865 2.453 -4.782 1.00 0.60 H new ATOM 0 HG23 ILE A 46 0.372 3.095 -4.058 1.00 0.60 H new ATOM 0 HD11 ILE A 46 -0.455 0.663 -0.559 1.00 0.95 H new ATOM 0 HD12 ILE A 46 0.995 -0.057 -1.297 1.00 0.95 H new ATOM 0 HD13 ILE A 46 0.837 1.712 -1.189 1.00 0.95 H new ATOM 698 N LYS A 47 0.172 2.191 -6.928 1.00 0.58 N ATOM 699 CA LYS A 47 0.872 2.821 -8.023 1.00 0.67 C ATOM 700 C LYS A 47 1.311 4.182 -7.492 1.00 0.61 C ATOM 701 O LYS A 47 0.485 4.875 -6.896 1.00 0.68 O ATOM 702 CB LYS A 47 -0.059 2.995 -9.218 1.00 0.75 C ATOM 703 CG LYS A 47 -0.599 1.674 -9.761 1.00 0.75 C ATOM 704 CD LYS A 47 -1.460 1.984 -10.992 1.00 0.98 C ATOM 705 CE LYS A 47 -2.013 0.726 -11.665 1.00 1.78 C ATOM 706 NZ LYS A 47 -0.951 -0.231 -12.030 1.00 3.11 N ATOM 0 H LYS A 47 -0.599 2.749 -6.561 1.00 0.58 H new ATOM 0 HA LYS A 47 1.718 2.223 -8.361 1.00 0.67 H new ATOM 0 HB2 LYS A 47 -0.896 3.630 -8.928 1.00 0.75 H new ATOM 0 HB3 LYS A 47 0.475 3.515 -10.013 1.00 0.75 H new ATOM 0 HG2 LYS A 47 0.221 1.008 -10.028 1.00 0.75 H new ATOM 0 HG3 LYS A 47 -1.190 1.163 -9.001 1.00 0.75 H new ATOM 0 HD2 LYS A 47 -2.290 2.626 -10.696 1.00 0.98 H new ATOM 0 HD3 LYS A 47 -0.865 2.544 -11.713 1.00 0.98 H new ATOM 0 HE2 LYS A 47 -2.721 0.240 -10.994 1.00 1.78 H new ATOM 0 HE3 LYS A 47 -2.566 1.010 -12.561 1.00 1.78 H new ATOM 0 HZ1 LYS A 47 -1.288 -0.849 -12.796 1.00 3.11 H new ATOM 0 HZ2 LYS A 47 -0.110 0.290 -12.351 1.00 3.11 H new ATOM 0 HZ3 LYS A 47 -0.705 -0.809 -11.201 1.00 3.11 H new ATOM 720 N TYR A 48 2.575 4.565 -7.659 1.00 0.65 N ATOM 721 CA TYR A 48 3.138 5.759 -7.033 1.00 0.61 C ATOM 722 C TYR A 48 4.183 6.414 -7.927 1.00 0.72 C ATOM 723 O TYR A 48 4.554 5.855 -8.959 1.00 0.99 O ATOM 724 CB TYR A 48 3.721 5.420 -5.649 1.00 0.70 C ATOM 725 CG TYR A 48 5.105 4.794 -5.679 1.00 0.82 C ATOM 726 CD1 TYR A 48 5.293 3.534 -6.266 1.00 1.40 C ATOM 727 CD2 TYR A 48 6.223 5.505 -5.202 1.00 2.04 C ATOM 728 CE1 TYR A 48 6.580 2.978 -6.360 1.00 1.49 C ATOM 729 CE2 TYR A 48 7.493 4.906 -5.201 1.00 2.17 C ATOM 730 CZ TYR A 48 7.671 3.640 -5.779 1.00 1.20 C ATOM 731 OH TYR A 48 8.910 3.072 -5.804 1.00 1.41 O ATOM 0 H TYR A 48 3.242 4.052 -8.236 1.00 0.65 H new ATOM 0 HA TYR A 48 2.332 6.480 -6.895 1.00 0.61 H new ATOM 0 HB2 TYR A 48 3.763 6.332 -5.054 1.00 0.70 H new ATOM 0 HB3 TYR A 48 3.040 4.738 -5.140 1.00 0.70 H new ATOM 0 HD1 TYR A 48 4.443 2.988 -6.648 1.00 1.40 H new ATOM 0 HD2 TYR A 48 6.103 6.514 -4.836 1.00 2.04 H new ATOM 0 HE1 TYR A 48 6.729 2.042 -6.879 1.00 1.49 H new ATOM 0 HE2 TYR A 48 8.332 5.419 -4.756 1.00 2.17 H new ATOM 0 HH TYR A 48 9.187 2.932 -6.734 1.00 1.41 H new ATOM 741 N ASP A 49 4.653 7.590 -7.507 1.00 0.87 N ATOM 742 CA ASP A 49 5.607 8.396 -8.246 1.00 1.15 C ATOM 743 C ASP A 49 6.977 8.343 -7.548 1.00 0.88 C ATOM 744 O ASP A 49 7.202 9.149 -6.638 1.00 1.05 O ATOM 745 CB ASP A 49 5.077 9.834 -8.287 1.00 1.82 C ATOM 746 CG ASP A 49 3.764 9.973 -9.038 1.00 2.86 C ATOM 747 OD1 ASP A 49 3.798 9.792 -10.274 1.00 3.16 O ATOM 748 OD2 ASP A 49 2.756 10.271 -8.362 1.00 4.33 O ATOM 0 H ASP A 49 4.370 8.012 -6.622 1.00 0.87 H new ATOM 0 HA ASP A 49 5.729 8.019 -9.261 1.00 1.15 H new ATOM 0 HB2 ASP A 49 4.943 10.193 -7.267 1.00 1.82 H new ATOM 0 HB3 ASP A 49 5.824 10.475 -8.755 1.00 1.82 H new ATOM 753 N PRO A 50 7.898 7.437 -7.945 1.00 0.73 N ATOM 754 CA PRO A 50 9.242 7.307 -7.371 1.00 0.79 C ATOM 755 C PRO A 50 10.144 8.487 -7.756 1.00 1.15 C ATOM 756 O PRO A 50 11.163 8.323 -8.422 1.00 2.58 O ATOM 757 CB PRO A 50 9.783 5.967 -7.889 1.00 0.79 C ATOM 758 CG PRO A 50 9.077 5.813 -9.232 1.00 0.96 C ATOM 759 CD PRO A 50 7.695 6.393 -8.941 1.00 0.92 C ATOM 0 HA PRO A 50 9.215 7.324 -6.281 1.00 0.79 H new ATOM 0 HB2 PRO A 50 10.867 5.985 -8.002 1.00 0.79 H new ATOM 0 HB3 PRO A 50 9.547 5.146 -7.212 1.00 0.79 H new ATOM 0 HG2 PRO A 50 9.588 6.359 -10.025 1.00 0.96 H new ATOM 0 HG3 PRO A 50 9.023 4.771 -9.546 1.00 0.96 H new ATOM 0 HD2 PRO A 50 7.244 6.800 -9.846 1.00 0.92 H new ATOM 0 HD3 PRO A 50 7.020 5.623 -8.567 1.00 0.92 H new ATOM 767 N GLU A 51 9.744 9.672 -7.303 1.00 0.86 N ATOM 768 CA GLU A 51 10.310 10.985 -7.568 1.00 0.96 C ATOM 769 C GLU A 51 9.926 11.876 -6.385 1.00 0.99 C ATOM 770 O GLU A 51 10.775 12.485 -5.738 1.00 1.35 O ATOM 771 CB GLU A 51 9.704 11.578 -8.857 1.00 1.34 C ATOM 772 CG GLU A 51 10.184 10.931 -10.167 1.00 1.44 C ATOM 773 CD GLU A 51 11.642 11.231 -10.506 1.00 2.55 C ATOM 774 OE1 GLU A 51 12.227 12.107 -9.833 1.00 3.74 O ATOM 775 OE2 GLU A 51 12.132 10.605 -11.471 1.00 3.12 O ATOM 0 H GLU A 51 8.938 9.740 -6.682 1.00 0.86 H new ATOM 0 HA GLU A 51 11.391 10.918 -7.694 1.00 0.96 H new ATOM 0 HB2 GLU A 51 8.619 11.489 -8.803 1.00 1.34 H new ATOM 0 HB3 GLU A 51 9.935 12.643 -8.891 1.00 1.34 H new ATOM 0 HG2 GLU A 51 10.052 9.851 -10.097 1.00 1.44 H new ATOM 0 HG3 GLU A 51 9.552 11.277 -10.985 1.00 1.44 H new ATOM 782 N ILE A 52 8.618 11.943 -6.110 1.00 1.02 N ATOM 783 CA ILE A 52 8.022 12.816 -5.108 1.00 1.20 C ATOM 784 C ILE A 52 7.722 12.071 -3.813 1.00 1.08 C ATOM 785 O ILE A 52 7.445 12.708 -2.799 1.00 1.34 O ATOM 786 CB ILE A 52 6.766 13.497 -5.680 1.00 1.45 C ATOM 787 CG1 ILE A 52 5.727 12.505 -6.220 1.00 1.77 C ATOM 788 CG2 ILE A 52 7.208 14.427 -6.808 1.00 2.10 C ATOM 789 CD1 ILE A 52 4.482 13.195 -6.788 1.00 2.45 C ATOM 0 H ILE A 52 7.929 11.371 -6.598 1.00 1.02 H new ATOM 0 HA ILE A 52 8.746 13.591 -4.856 1.00 1.20 H new ATOM 0 HB ILE A 52 6.282 14.039 -4.868 1.00 1.45 H new ATOM 0 HG12 ILE A 52 6.185 11.895 -6.999 1.00 1.77 H new ATOM 0 HG13 ILE A 52 5.428 11.828 -5.420 1.00 1.77 H new ATOM 0 HG21 ILE A 52 6.336 14.924 -7.233 1.00 2.10 H new ATOM 0 HG22 ILE A 52 7.896 15.175 -6.414 1.00 2.10 H new ATOM 0 HG23 ILE A 52 7.708 13.847 -7.583 1.00 2.10 H new ATOM 0 HD11 ILE A 52 3.784 12.442 -7.154 1.00 2.45 H new ATOM 0 HD12 ILE A 52 4.003 13.783 -6.005 1.00 2.45 H new ATOM 0 HD13 ILE A 52 4.772 13.851 -7.609 1.00 2.45 H new ATOM 801 N ILE A 53 7.766 10.737 -3.839 1.00 0.85 N ATOM 802 CA ILE A 53 7.626 9.918 -2.651 1.00 0.72 C ATOM 803 C ILE A 53 8.406 8.630 -2.913 1.00 0.85 C ATOM 804 O ILE A 53 8.430 8.148 -4.046 1.00 2.25 O ATOM 805 CB ILE A 53 6.126 9.701 -2.376 1.00 0.77 C ATOM 806 CG1 ILE A 53 5.859 9.398 -0.905 1.00 0.90 C ATOM 807 CG2 ILE A 53 5.543 8.611 -3.271 1.00 1.00 C ATOM 808 CD1 ILE A 53 4.371 9.418 -0.551 1.00 1.25 C ATOM 0 H ILE A 53 7.901 10.199 -4.695 1.00 0.85 H new ATOM 0 HA ILE A 53 8.032 10.381 -1.752 1.00 0.72 H new ATOM 0 HB ILE A 53 5.621 10.636 -2.618 1.00 0.77 H new ATOM 0 HG12 ILE A 53 6.272 8.419 -0.661 1.00 0.90 H new ATOM 0 HG13 ILE A 53 6.383 10.128 -0.288 1.00 0.90 H new ATOM 0 HG21 ILE A 53 4.483 8.486 -3.049 1.00 1.00 H new ATOM 0 HG22 ILE A 53 5.663 8.896 -4.316 1.00 1.00 H new ATOM 0 HG23 ILE A 53 6.065 7.672 -3.088 1.00 1.00 H new ATOM 0 HD11 ILE A 53 4.246 9.195 0.509 1.00 1.25 H new ATOM 0 HD12 ILE A 53 3.959 10.404 -0.766 1.00 1.25 H new ATOM 0 HD13 ILE A 53 3.846 8.669 -1.144 1.00 1.25 H new ATOM 820 N GLY A 54 9.078 8.092 -1.900 1.00 0.91 N ATOM 821 CA GLY A 54 9.788 6.828 -2.009 1.00 0.67 C ATOM 822 C GLY A 54 8.852 5.646 -1.725 1.00 0.52 C ATOM 823 O GLY A 54 7.731 5.824 -1.250 1.00 0.58 O ATOM 0 H GLY A 54 9.144 8.524 -0.978 1.00 0.91 H new ATOM 0 HA2 GLY A 54 10.211 6.729 -3.009 1.00 0.67 H new ATOM 0 HA3 GLY A 54 10.622 6.813 -1.307 1.00 0.67 H new ATOM 827 N PRO A 55 9.297 4.414 -2.016 1.00 0.53 N ATOM 828 CA PRO A 55 8.525 3.217 -1.733 1.00 0.56 C ATOM 829 C PRO A 55 8.403 2.994 -0.225 1.00 0.53 C ATOM 830 O PRO A 55 7.309 2.732 0.275 1.00 0.58 O ATOM 831 CB PRO A 55 9.263 2.072 -2.436 1.00 0.70 C ATOM 832 CG PRO A 55 10.700 2.577 -2.576 1.00 0.68 C ATOM 833 CD PRO A 55 10.550 4.095 -2.677 1.00 0.66 C ATOM 0 HA PRO A 55 7.501 3.292 -2.098 1.00 0.56 H new ATOM 0 HB2 PRO A 55 9.220 1.153 -1.852 1.00 0.70 H new ATOM 0 HB3 PRO A 55 8.822 1.852 -3.408 1.00 0.70 H new ATOM 0 HG2 PRO A 55 11.309 2.292 -1.718 1.00 0.68 H new ATOM 0 HG3 PRO A 55 11.184 2.164 -3.461 1.00 0.68 H new ATOM 0 HD2 PRO A 55 11.386 4.603 -2.196 1.00 0.66 H new ATOM 0 HD3 PRO A 55 10.536 4.418 -3.718 1.00 0.66 H new ATOM 841 N ARG A 56 9.517 3.089 0.514 1.00 0.62 N ATOM 842 CA ARG A 56 9.485 2.872 1.957 1.00 0.86 C ATOM 843 C ARG A 56 8.575 3.903 2.636 1.00 0.66 C ATOM 844 O ARG A 56 8.022 3.629 3.684 1.00 0.69 O ATOM 845 CB ARG A 56 10.893 2.762 2.582 1.00 1.40 C ATOM 846 CG ARG A 56 11.008 1.661 3.667 1.00 2.85 C ATOM 847 CD ARG A 56 10.015 1.872 4.820 1.00 4.43 C ATOM 848 NE ARG A 56 10.087 0.902 5.927 1.00 5.85 N ATOM 849 CZ ARG A 56 10.804 1.051 7.048 1.00 6.71 C ATOM 850 NH1 ARG A 56 11.837 1.898 7.055 1.00 6.50 N ATOM 851 NH2 ARG A 56 10.478 0.379 8.157 1.00 8.24 N ATOM 0 H ARG A 56 10.438 3.312 0.137 1.00 0.62 H new ATOM 0 HA ARG A 56 9.041 1.894 2.141 1.00 0.86 H new ATOM 0 HB2 ARG A 56 11.617 2.559 1.793 1.00 1.40 H new ATOM 0 HB3 ARG A 56 11.162 3.723 3.021 1.00 1.40 H new ATOM 0 HG2 ARG A 56 10.831 0.686 3.212 1.00 2.85 H new ATOM 0 HG3 ARG A 56 12.024 1.649 4.063 1.00 2.85 H new ATOM 0 HD2 ARG A 56 10.172 2.870 5.229 1.00 4.43 H new ATOM 0 HD3 ARG A 56 9.005 1.850 4.411 1.00 4.43 H new ATOM 0 HE ARG A 56 9.544 0.044 5.831 1.00 5.85 H new ATOM 0 HH11 ARG A 56 12.072 2.423 6.212 1.00 6.50 H new ATOM 0 HH12 ARG A 56 12.391 2.020 7.903 1.00 6.50 H new ATOM 0 HH21 ARG A 56 9.678 -0.253 8.153 1.00 8.24 H new ATOM 0 HH22 ARG A 56 11.030 0.499 9.007 1.00 8.24 H new ATOM 865 N ASP A 57 8.348 5.074 2.055 1.00 0.62 N ATOM 866 CA ASP A 57 7.382 6.034 2.566 1.00 0.62 C ATOM 867 C ASP A 57 5.999 5.365 2.654 1.00 0.57 C ATOM 868 O ASP A 57 5.383 5.302 3.722 1.00 0.60 O ATOM 869 CB ASP A 57 7.323 7.265 1.647 1.00 0.71 C ATOM 870 CG ASP A 57 8.655 7.809 1.128 1.00 2.06 C ATOM 871 OD1 ASP A 57 9.645 7.044 1.070 1.00 3.34 O ATOM 872 OD2 ASP A 57 8.639 8.966 0.655 1.00 2.85 O ATOM 0 H ASP A 57 8.832 5.385 1.212 1.00 0.62 H new ATOM 0 HA ASP A 57 7.686 6.362 3.560 1.00 0.62 H new ATOM 0 HB2 ASP A 57 6.701 7.016 0.787 1.00 0.71 H new ATOM 0 HB3 ASP A 57 6.817 8.066 2.186 1.00 0.71 H new ATOM 877 N ILE A 58 5.520 4.829 1.522 1.00 0.54 N ATOM 878 CA ILE A 58 4.266 4.082 1.471 1.00 0.52 C ATOM 879 C ILE A 58 4.339 2.925 2.467 1.00 0.51 C ATOM 880 O ILE A 58 3.472 2.776 3.331 1.00 0.50 O ATOM 881 CB ILE A 58 3.968 3.585 0.034 1.00 0.51 C ATOM 882 CG1 ILE A 58 3.316 4.674 -0.835 1.00 0.67 C ATOM 883 CG2 ILE A 58 3.044 2.359 0.022 1.00 0.51 C ATOM 884 CD1 ILE A 58 4.309 5.730 -1.322 1.00 1.22 C ATOM 0 H ILE A 58 5.993 4.904 0.622 1.00 0.54 H new ATOM 0 HA ILE A 58 3.440 4.737 1.750 1.00 0.52 H new ATOM 0 HB ILE A 58 4.940 3.317 -0.380 1.00 0.51 H new ATOM 0 HG12 ILE A 58 2.841 4.206 -1.697 1.00 0.67 H new ATOM 0 HG13 ILE A 58 2.527 5.163 -0.263 1.00 0.67 H new ATOM 0 HG21 ILE A 58 2.865 2.048 -1.007 1.00 0.51 H new ATOM 0 HG22 ILE A 58 3.515 1.543 0.570 1.00 0.51 H new ATOM 0 HG23 ILE A 58 2.095 2.614 0.494 1.00 0.51 H new ATOM 0 HD11 ILE A 58 3.786 6.469 -1.929 1.00 1.22 H new ATOM 0 HD12 ILE A 58 4.766 6.223 -0.464 1.00 1.22 H new ATOM 0 HD13 ILE A 58 5.084 5.252 -1.921 1.00 1.22 H new ATOM 896 N ILE A 59 5.370 2.091 2.333 1.00 0.56 N ATOM 897 CA ILE A 59 5.453 0.859 3.125 1.00 0.71 C ATOM 898 C ILE A 59 5.423 1.192 4.624 1.00 0.67 C ATOM 899 O ILE A 59 4.671 0.584 5.377 1.00 0.64 O ATOM 900 CB ILE A 59 6.671 0.002 2.730 1.00 0.89 C ATOM 901 CG1 ILE A 59 6.634 -0.365 1.236 1.00 0.98 C ATOM 902 CG2 ILE A 59 6.696 -1.302 3.544 1.00 1.33 C ATOM 903 CD1 ILE A 59 7.998 -0.793 0.692 1.00 1.29 C ATOM 0 H ILE A 59 6.150 2.240 1.694 1.00 0.56 H new ATOM 0 HA ILE A 59 4.579 0.246 2.905 1.00 0.71 H new ATOM 0 HB ILE A 59 7.562 0.594 2.937 1.00 0.89 H new ATOM 0 HG12 ILE A 59 5.918 -1.173 1.084 1.00 0.98 H new ATOM 0 HG13 ILE A 59 6.274 0.491 0.666 1.00 0.98 H new ATOM 0 HG21 ILE A 59 7.562 -1.896 3.253 1.00 1.33 H new ATOM 0 HG22 ILE A 59 6.758 -1.067 4.606 1.00 1.33 H new ATOM 0 HG23 ILE A 59 5.786 -1.869 3.350 1.00 1.33 H new ATOM 0 HD11 ILE A 59 7.907 -1.039 -0.366 1.00 1.29 H new ATOM 0 HD12 ILE A 59 8.711 0.022 0.815 1.00 1.29 H new ATOM 0 HD13 ILE A 59 8.350 -1.668 1.239 1.00 1.29 H new ATOM 915 N HIS A 60 6.183 2.201 5.046 1.00 0.70 N ATOM 916 CA HIS A 60 6.257 2.667 6.417 1.00 0.70 C ATOM 917 C HIS A 60 4.897 3.157 6.872 1.00 0.55 C ATOM 918 O HIS A 60 4.536 2.966 8.027 1.00 0.55 O ATOM 919 CB HIS A 60 7.283 3.795 6.558 1.00 0.80 C ATOM 920 CG HIS A 60 7.484 4.227 7.985 1.00 1.80 C ATOM 921 ND1 HIS A 60 6.774 5.199 8.654 1.00 3.55 N ATOM 922 CD2 HIS A 60 8.373 3.677 8.867 1.00 2.00 C ATOM 923 CE1 HIS A 60 7.241 5.237 9.913 1.00 4.73 C ATOM 924 NE2 HIS A 60 8.219 4.334 10.090 1.00 3.85 N ATOM 0 H HIS A 60 6.783 2.731 4.415 1.00 0.70 H new ATOM 0 HA HIS A 60 6.572 1.832 7.043 1.00 0.70 H new ATOM 0 HB2 HIS A 60 8.237 3.466 6.145 1.00 0.80 H new ATOM 0 HB3 HIS A 60 6.958 4.651 5.967 1.00 0.80 H new ATOM 0 HD2 HIS A 60 9.069 2.878 8.656 1.00 2.00 H new ATOM 0 HE1 HIS A 60 6.878 5.905 10.680 1.00 4.73 H new ATOM 0 HE2 HIS A 60 8.745 4.162 10.947 1.00 3.85 H new ATOM 932 N THR A 61 4.138 3.805 5.985 1.00 0.53 N ATOM 933 CA THR A 61 2.772 4.162 6.324 1.00 0.50 C ATOM 934 C THR A 61 2.000 2.884 6.669 1.00 0.37 C ATOM 935 O THR A 61 1.417 2.797 7.744 1.00 0.34 O ATOM 936 CB THR A 61 2.121 4.994 5.214 1.00 0.60 C ATOM 937 OG1 THR A 61 2.973 6.079 4.900 1.00 0.77 O ATOM 938 CG2 THR A 61 0.771 5.544 5.683 1.00 0.65 C ATOM 0 H THR A 61 4.442 4.084 5.052 1.00 0.53 H new ATOM 0 HA THR A 61 2.757 4.806 7.203 1.00 0.50 H new ATOM 0 HB THR A 61 1.964 4.363 4.339 1.00 0.60 H new ATOM 0 HG1 THR A 61 3.746 5.752 4.394 1.00 0.77 H new ATOM 0 HG21 THR A 61 0.321 6.133 4.884 1.00 0.65 H new ATOM 0 HG22 THR A 61 0.110 4.716 5.940 1.00 0.65 H new ATOM 0 HG23 THR A 61 0.920 6.175 6.559 1.00 0.65 H new ATOM 946 N ILE A 62 2.041 1.875 5.794 1.00 0.36 N ATOM 947 CA ILE A 62 1.366 0.599 6.029 1.00 0.35 C ATOM 948 C ILE A 62 1.806 -0.020 7.370 1.00 0.34 C ATOM 949 O ILE A 62 0.949 -0.307 8.211 1.00 0.37 O ATOM 950 CB ILE A 62 1.527 -0.327 4.804 1.00 0.43 C ATOM 951 CG1 ILE A 62 0.855 0.331 3.587 1.00 0.49 C ATOM 952 CG2 ILE A 62 0.917 -1.713 5.057 1.00 0.51 C ATOM 953 CD1 ILE A 62 0.991 -0.502 2.312 1.00 0.78 C ATOM 0 H ILE A 62 2.542 1.921 4.906 1.00 0.36 H new ATOM 0 HA ILE A 62 0.293 0.761 6.135 1.00 0.35 H new ATOM 0 HB ILE A 62 2.591 -0.468 4.615 1.00 0.43 H new ATOM 0 HG12 ILE A 62 -0.202 0.488 3.802 1.00 0.49 H new ATOM 0 HG13 ILE A 62 1.296 1.314 3.422 1.00 0.49 H new ATOM 0 HG21 ILE A 62 1.050 -2.336 4.173 1.00 0.51 H new ATOM 0 HG22 ILE A 62 1.414 -2.180 5.907 1.00 0.51 H new ATOM 0 HG23 ILE A 62 -0.147 -1.609 5.271 1.00 0.51 H new ATOM 0 HD11 ILE A 62 0.498 0.012 1.487 1.00 0.78 H new ATOM 0 HD12 ILE A 62 2.047 -0.637 2.076 1.00 0.78 H new ATOM 0 HD13 ILE A 62 0.526 -1.476 2.462 1.00 0.78 H new ATOM 965 N GLU A 63 3.120 -0.163 7.597 1.00 0.44 N ATOM 966 CA GLU A 63 3.692 -0.580 8.878 1.00 0.68 C ATOM 967 C GLU A 63 3.051 0.218 10.021 1.00 0.63 C ATOM 968 O GLU A 63 2.560 -0.342 10.998 1.00 0.68 O ATOM 969 CB GLU A 63 5.219 -0.362 8.883 1.00 1.11 C ATOM 970 CG GLU A 63 6.004 -1.224 7.881 1.00 1.20 C ATOM 971 CD GLU A 63 7.463 -0.780 7.780 1.00 2.01 C ATOM 972 OE1 GLU A 63 8.155 -0.736 8.818 1.00 2.52 O ATOM 973 OE2 GLU A 63 7.924 -0.447 6.668 1.00 3.12 O ATOM 0 H GLU A 63 3.824 0.012 6.880 1.00 0.44 H new ATOM 0 HA GLU A 63 3.489 -1.641 9.020 1.00 0.68 H new ATOM 0 HB2 GLU A 63 5.421 0.688 8.672 1.00 1.11 H new ATOM 0 HB3 GLU A 63 5.596 -0.564 9.886 1.00 1.11 H new ATOM 0 HG2 GLU A 63 5.961 -2.269 8.187 1.00 1.20 H new ATOM 0 HG3 GLU A 63 5.535 -1.160 6.899 1.00 1.20 H new ATOM 980 N SER A 64 3.069 1.543 9.874 1.00 0.69 N ATOM 981 CA SER A 64 2.644 2.513 10.868 1.00 0.79 C ATOM 982 C SER A 64 1.130 2.537 11.096 1.00 0.79 C ATOM 983 O SER A 64 0.703 3.211 12.032 1.00 1.30 O ATOM 984 CB SER A 64 3.188 3.898 10.492 1.00 0.84 C ATOM 985 OG SER A 64 2.877 4.856 11.488 1.00 0.97 O ATOM 0 H SER A 64 3.397 1.984 9.015 1.00 0.69 H new ATOM 0 HA SER A 64 3.063 2.206 11.826 1.00 0.79 H new ATOM 0 HB2 SER A 64 4.269 3.844 10.360 1.00 0.84 H new ATOM 0 HB3 SER A 64 2.765 4.211 9.537 1.00 0.84 H new ATOM 0 HG SER A 64 2.160 4.512 12.060 1.00 0.97 H new ATOM 991 N LEU A 65 0.314 1.858 10.278 1.00 0.49 N ATOM 992 CA LEU A 65 -1.028 1.496 10.713 1.00 0.50 C ATOM 993 C LEU A 65 -0.891 0.292 11.650 1.00 0.54 C ATOM 994 O LEU A 65 -0.626 0.474 12.836 1.00 1.23 O ATOM 995 CB LEU A 65 -1.975 1.230 9.529 1.00 0.81 C ATOM 996 CG LEU A 65 -2.556 2.459 8.805 1.00 1.17 C ATOM 997 CD1 LEU A 65 -3.229 3.451 9.759 1.00 2.65 C ATOM 998 CD2 LEU A 65 -1.527 3.197 7.952 1.00 1.84 C ATOM 0 H LEU A 65 0.558 1.557 9.334 1.00 0.49 H new ATOM 0 HA LEU A 65 -1.491 2.326 11.246 1.00 0.50 H new ATOM 0 HB2 LEU A 65 -1.439 0.628 8.796 1.00 0.81 H new ATOM 0 HB3 LEU A 65 -2.807 0.626 9.891 1.00 0.81 H new ATOM 0 HG LEU A 65 -3.316 2.046 8.142 1.00 1.17 H new ATOM 0 HD11 LEU A 65 -3.619 4.295 9.190 1.00 2.65 H new ATOM 0 HD12 LEU A 65 -4.048 2.956 10.281 1.00 2.65 H new ATOM 0 HD13 LEU A 65 -2.500 3.809 10.486 1.00 2.65 H new ATOM 0 HD21 LEU A 65 -2.000 4.052 7.469 1.00 1.84 H new ATOM 0 HD22 LEU A 65 -0.711 3.544 8.586 1.00 1.84 H new ATOM 0 HD23 LEU A 65 -1.134 2.523 7.191 1.00 1.84 H new ATOM 1010 N GLY A 66 -1.098 -0.933 11.157 1.00 0.65 N ATOM 1011 CA GLY A 66 -0.877 -2.120 11.968 1.00 0.68 C ATOM 1012 C GLY A 66 -0.659 -3.368 11.121 1.00 0.77 C ATOM 1013 O GLY A 66 -1.163 -4.429 11.485 1.00 1.24 O ATOM 0 H GLY A 66 -1.416 -1.121 10.206 1.00 0.65 H new ATOM 0 HA2 GLY A 66 -0.010 -1.963 12.609 1.00 0.68 H new ATOM 0 HA3 GLY A 66 -1.734 -2.274 12.624 1.00 0.68 H new ATOM 1017 N PHE A 67 0.038 -3.248 9.985 1.00 0.66 N ATOM 1018 CA PHE A 67 0.182 -4.351 9.039 1.00 0.63 C ATOM 1019 C PHE A 67 1.623 -4.444 8.552 1.00 0.83 C ATOM 1020 O PHE A 67 2.128 -3.467 8.003 1.00 1.60 O ATOM 1021 CB PHE A 67 -0.742 -4.139 7.833 1.00 0.73 C ATOM 1022 CG PHE A 67 -2.031 -3.404 8.128 1.00 0.62 C ATOM 1023 CD1 PHE A 67 -3.019 -4.018 8.913 1.00 1.88 C ATOM 1024 CD2 PHE A 67 -2.171 -2.056 7.756 1.00 1.82 C ATOM 1025 CE1 PHE A 67 -4.189 -3.321 9.243 1.00 1.78 C ATOM 1026 CE2 PHE A 67 -3.360 -1.372 8.051 1.00 1.92 C ATOM 1027 CZ PHE A 67 -4.386 -2.018 8.755 1.00 0.64 C ATOM 0 H PHE A 67 0.512 -2.391 9.701 1.00 0.66 H new ATOM 0 HA PHE A 67 -0.090 -5.276 9.548 1.00 0.63 H new ATOM 0 HB2 PHE A 67 -0.195 -3.587 7.069 1.00 0.73 H new ATOM 0 HB3 PHE A 67 -0.987 -5.112 7.408 1.00 0.73 H new ATOM 0 HD1 PHE A 67 -2.877 -5.030 9.263 1.00 1.88 H new ATOM 0 HD2 PHE A 67 -1.366 -1.548 7.245 1.00 1.82 H new ATOM 0 HE1 PHE A 67 -4.937 -3.784 9.870 1.00 1.78 H new ATOM 0 HE2 PHE A 67 -3.485 -0.347 7.735 1.00 1.92 H new ATOM 0 HZ PHE A 67 -5.327 -1.515 8.922 1.00 0.64 H new ATOM 1037 N GLU A 68 2.277 -5.597 8.690 1.00 0.49 N ATOM 1038 CA GLU A 68 3.598 -5.790 8.117 1.00 0.55 C ATOM 1039 C GLU A 68 3.421 -6.086 6.625 1.00 0.53 C ATOM 1040 O GLU A 68 2.353 -6.545 6.211 1.00 1.00 O ATOM 1041 CB GLU A 68 4.340 -6.908 8.863 1.00 0.84 C ATOM 1042 CG GLU A 68 4.379 -6.666 10.383 1.00 2.31 C ATOM 1043 CD GLU A 68 3.234 -7.321 11.147 1.00 3.65 C ATOM 1044 OE1 GLU A 68 2.091 -7.361 10.634 1.00 4.63 O ATOM 1045 OE2 GLU A 68 3.491 -7.897 12.221 1.00 4.42 O ATOM 0 H GLU A 68 1.911 -6.406 9.193 1.00 0.49 H new ATOM 0 HA GLU A 68 4.212 -4.896 8.224 1.00 0.55 H new ATOM 0 HB2 GLU A 68 3.854 -7.862 8.661 1.00 0.84 H new ATOM 0 HB3 GLU A 68 5.359 -6.983 8.482 1.00 0.84 H new ATOM 0 HG2 GLU A 68 5.324 -7.040 10.776 1.00 2.31 H new ATOM 0 HG3 GLU A 68 4.359 -5.592 10.570 1.00 2.31 H new ATOM 1052 N ALA A 69 4.435 -5.804 5.802 1.00 0.57 N ATOM 1053 CA ALA A 69 4.312 -5.925 4.357 1.00 0.76 C ATOM 1054 C ALA A 69 5.659 -6.220 3.705 1.00 0.71 C ATOM 1055 O ALA A 69 6.700 -6.031 4.330 1.00 0.98 O ATOM 1056 CB ALA A 69 3.699 -4.639 3.796 1.00 1.05 C ATOM 0 H ALA A 69 5.352 -5.489 6.119 1.00 0.57 H new ATOM 0 HA ALA A 69 3.658 -6.766 4.127 1.00 0.76 H new ATOM 0 HB1 ALA A 69 3.604 -4.723 2.713 1.00 1.05 H new ATOM 0 HB2 ALA A 69 2.714 -4.484 4.236 1.00 1.05 H new ATOM 0 HB3 ALA A 69 4.342 -3.793 4.039 1.00 1.05 H new ATOM 1062 N SER A 70 5.626 -6.692 2.454 1.00 0.62 N ATOM 1063 CA SER A 70 6.802 -7.044 1.672 1.00 0.66 C ATOM 1064 C SER A 70 6.539 -6.714 0.202 1.00 0.60 C ATOM 1065 O SER A 70 5.542 -7.164 -0.356 1.00 0.56 O ATOM 1066 CB SER A 70 7.107 -8.539 1.843 1.00 0.86 C ATOM 1067 OG SER A 70 8.480 -8.799 1.615 1.00 2.06 O ATOM 0 H SER A 70 4.752 -6.842 1.949 1.00 0.62 H new ATOM 0 HA SER A 70 7.665 -6.474 2.017 1.00 0.66 H new ATOM 0 HB2 SER A 70 6.833 -8.858 2.849 1.00 0.86 H new ATOM 0 HB3 SER A 70 6.501 -9.121 1.148 1.00 0.86 H new ATOM 0 HG SER A 70 8.655 -9.756 1.730 1.00 2.06 H new ATOM 1073 N LEU A 71 7.430 -5.943 -0.420 1.00 0.72 N ATOM 1074 CA LEU A 71 7.385 -5.601 -1.839 1.00 0.75 C ATOM 1075 C LEU A 71 7.605 -6.885 -2.652 1.00 0.79 C ATOM 1076 O LEU A 71 8.646 -7.518 -2.488 1.00 1.22 O ATOM 1077 CB LEU A 71 8.468 -4.530 -2.092 1.00 1.01 C ATOM 1078 CG LEU A 71 8.103 -3.444 -3.117 1.00 1.70 C ATOM 1079 CD1 LEU A 71 9.203 -2.372 -3.117 1.00 2.05 C ATOM 1080 CD2 LEU A 71 7.952 -4.013 -4.528 1.00 3.55 C ATOM 0 H LEU A 71 8.226 -5.528 0.064 1.00 0.72 H new ATOM 0 HA LEU A 71 6.424 -5.187 -2.145 1.00 0.75 H new ATOM 0 HB2 LEU A 71 8.702 -4.045 -1.144 1.00 1.01 H new ATOM 0 HB3 LEU A 71 9.376 -5.030 -2.428 1.00 1.01 H new ATOM 0 HG LEU A 71 7.143 -3.016 -2.829 1.00 1.70 H new ATOM 0 HD11 LEU A 71 8.955 -1.596 -3.841 1.00 2.05 H new ATOM 0 HD12 LEU A 71 9.281 -1.930 -2.124 1.00 2.05 H new ATOM 0 HD13 LEU A 71 10.156 -2.828 -3.387 1.00 2.05 H new ATOM 0 HD21 LEU A 71 7.694 -3.210 -5.218 1.00 3.55 H new ATOM 0 HD22 LEU A 71 8.891 -4.470 -4.838 1.00 3.55 H new ATOM 0 HD23 LEU A 71 7.163 -4.765 -4.535 1.00 3.55 H new ATOM 1092 N VAL A 72 6.646 -7.287 -3.497 1.00 0.77 N ATOM 1093 CA VAL A 72 6.740 -8.520 -4.291 1.00 0.83 C ATOM 1094 C VAL A 72 7.111 -8.230 -5.751 1.00 1.09 C ATOM 1095 O VAL A 72 7.008 -9.105 -6.606 1.00 2.03 O ATOM 1096 CB VAL A 72 5.458 -9.369 -4.170 1.00 0.89 C ATOM 1097 CG1 VAL A 72 5.196 -9.761 -2.715 1.00 0.96 C ATOM 1098 CG2 VAL A 72 4.206 -8.703 -4.754 1.00 1.14 C ATOM 0 H VAL A 72 5.782 -6.766 -3.650 1.00 0.77 H new ATOM 0 HA VAL A 72 7.554 -9.115 -3.876 1.00 0.83 H new ATOM 0 HB VAL A 72 5.649 -10.258 -4.771 1.00 0.89 H new ATOM 0 HG11 VAL A 72 4.286 -10.359 -2.657 1.00 0.96 H new ATOM 0 HG12 VAL A 72 6.037 -10.343 -2.338 1.00 0.96 H new ATOM 0 HG13 VAL A 72 5.077 -8.861 -2.111 1.00 0.96 H new ATOM 0 HG21 VAL A 72 3.349 -9.365 -4.629 1.00 1.14 H new ATOM 0 HG22 VAL A 72 4.018 -7.764 -4.234 1.00 1.14 H new ATOM 0 HG23 VAL A 72 4.360 -8.506 -5.815 1.00 1.14 H new ATOM 1108 N LYS A 73 7.558 -7.005 -6.038 1.00 1.87 N ATOM 1109 CA LYS A 73 7.921 -6.519 -7.361 1.00 2.26 C ATOM 1110 C LYS A 73 6.679 -6.409 -8.254 1.00 2.43 C ATOM 1111 O LYS A 73 6.263 -5.297 -8.573 1.00 4.10 O ATOM 1112 CB LYS A 73 9.069 -7.360 -7.959 1.00 2.71 C ATOM 1113 CG LYS A 73 9.862 -6.661 -9.076 1.00 3.56 C ATOM 1114 CD LYS A 73 9.013 -6.411 -10.330 1.00 3.59 C ATOM 1115 CE LYS A 73 9.880 -6.070 -11.548 1.00 4.64 C ATOM 1116 NZ LYS A 73 9.054 -5.850 -12.755 1.00 5.57 N ATOM 0 H LYS A 73 7.681 -6.295 -5.316 1.00 1.87 H new ATOM 0 HA LYS A 73 8.317 -5.506 -7.285 1.00 2.26 H new ATOM 0 HB2 LYS A 73 9.757 -7.632 -7.159 1.00 2.71 H new ATOM 0 HB3 LYS A 73 8.655 -8.288 -8.352 1.00 2.71 H new ATOM 0 HG2 LYS A 73 10.245 -5.710 -8.705 1.00 3.56 H new ATOM 0 HG3 LYS A 73 10.725 -7.271 -9.341 1.00 3.56 H new ATOM 0 HD2 LYS A 73 8.415 -7.296 -10.546 1.00 3.59 H new ATOM 0 HD3 LYS A 73 8.316 -5.595 -10.140 1.00 3.59 H new ATOM 0 HE2 LYS A 73 10.467 -5.176 -11.339 1.00 4.64 H new ATOM 0 HE3 LYS A 73 10.586 -6.880 -11.732 1.00 4.64 H new ATOM 0 HZ1 LYS A 73 9.671 -5.621 -13.561 1.00 5.57 H new ATOM 0 HZ2 LYS A 73 8.513 -6.712 -12.967 1.00 5.57 H new ATOM 0 HZ3 LYS A 73 8.397 -5.061 -12.587 1.00 5.57 H new ATOM 1130 N ILE A 74 6.113 -7.538 -8.690 1.00 2.08 N ATOM 1131 CA ILE A 74 4.952 -7.593 -9.569 1.00 3.04 C ATOM 1132 C ILE A 74 4.399 -9.020 -9.522 1.00 3.89 C ATOM 1133 O ILE A 74 5.035 -9.895 -8.936 1.00 4.65 O ATOM 1134 CB ILE A 74 5.340 -7.135 -10.998 1.00 3.94 C ATOM 1135 CG1 ILE A 74 4.187 -6.555 -11.837 1.00 4.59 C ATOM 1136 CG2 ILE A 74 6.016 -8.261 -11.798 1.00 4.93 C ATOM 1137 CD1 ILE A 74 3.419 -5.432 -11.131 1.00 4.78 C ATOM 0 H ILE A 74 6.462 -8.461 -8.432 1.00 2.08 H new ATOM 0 HA ILE A 74 4.169 -6.910 -9.240 1.00 3.04 H new ATOM 0 HB ILE A 74 6.041 -6.320 -10.819 1.00 3.94 H new ATOM 0 HG12 ILE A 74 4.588 -6.175 -12.776 1.00 4.59 H new ATOM 0 HG13 ILE A 74 3.492 -7.357 -12.088 1.00 4.59 H new ATOM 0 HG21 ILE A 74 6.271 -7.897 -12.793 1.00 4.93 H new ATOM 0 HG22 ILE A 74 6.923 -8.579 -11.284 1.00 4.93 H new ATOM 0 HG23 ILE A 74 5.333 -9.106 -11.885 1.00 4.93 H new ATOM 0 HD11 ILE A 74 2.622 -5.072 -11.781 1.00 4.78 H new ATOM 0 HD12 ILE A 74 2.988 -5.812 -10.205 1.00 4.78 H new ATOM 0 HD13 ILE A 74 4.100 -4.612 -10.904 1.00 4.78 H new ATOM 1149 N GLU A 75 3.248 -9.245 -10.153 1.00 4.92 N ATOM 1150 CA GLU A 75 2.623 -10.536 -10.366 1.00 6.58 C ATOM 1151 C GLU A 75 2.271 -10.560 -11.853 1.00 7.32 C ATOM 1152 O GLU A 75 2.082 -9.445 -12.392 1.00 7.73 O ATOM 1153 CB GLU A 75 1.354 -10.621 -9.513 1.00 8.14 C ATOM 1154 CG GLU A 75 1.648 -10.670 -8.005 1.00 8.59 C ATOM 1155 CD GLU A 75 0.460 -10.183 -7.194 1.00 10.16 C ATOM 1156 OE1 GLU A 75 -0.692 -10.320 -7.665 1.00 11.23 O ATOM 1157 OE2 GLU A 75 0.679 -9.535 -6.146 1.00 10.64 O ATOM 1158 OXT GLU A 75 2.208 -11.672 -12.421 1.00 7.98 O ATOM 0 H GLU A 75 2.700 -8.482 -10.550 1.00 4.92 H new ATOM 0 HA GLU A 75 3.265 -11.373 -10.091 1.00 6.58 H new ATOM 0 HB2 GLU A 75 0.721 -9.760 -9.727 1.00 8.14 H new ATOM 0 HB3 GLU A 75 0.790 -11.510 -9.797 1.00 8.14 H new ATOM 0 HG2 GLU A 75 1.896 -11.691 -7.714 1.00 8.59 H new ATOM 0 HG3 GLU A 75 2.520 -10.055 -7.782 1.00 8.59 H new TER 1165 GLU A 75