USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 486 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 NoAdj-H: A 34 HIS HD1 : A 34 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 48 HIS : no HD1:sc= -3.52 K(o=-6.8,f=-7.8!) USER MOD Set 1.2: A 50 ASN : amide:sc= -3.31! C(o=-6.8!,f=-12!) USER MOD Set 2.1: A 19 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0688 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 0.187 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.68! C(o=-1.7!,f=-3.8!) USER MOD Single : A 13 THR OG1 : rot 37:sc= 0.861 USER MOD Single : A 35 SER OG : rot -160:sc= -0.3 USER MOD Single : A 38 GLN : amide:sc= -4.83! C(o=-4.8!,f=-8.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.258 K(o=-0.26,f=-0.81) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.732 -22.487 31.660 1.00 0.00 N ATOM 2 CA GLY A 1 4.462 -22.039 31.119 1.00 0.00 C ATOM 3 C GLY A 1 3.605 -23.187 30.623 1.00 0.00 C ATOM 4 O GLY A 1 4.096 -24.300 30.435 1.00 0.00 O ATOM 0 H1 GLY A 1 5.737 -22.352 32.691 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.866 -23.495 31.442 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.504 -21.935 31.235 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.918 -21.489 31.886 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.645 -21.345 30.298 1.00 0.00 H new ATOM 8 N SER A 2 2.321 -22.918 30.411 1.00 0.00 N ATOM 9 CA SER A 2 1.393 -23.939 29.939 1.00 0.00 C ATOM 10 C SER A 2 0.439 -23.365 28.896 1.00 0.00 C ATOM 11 O SER A 2 -0.280 -22.401 29.160 1.00 0.00 O ATOM 12 CB SER A 2 0.598 -24.517 31.112 1.00 0.00 C ATOM 13 OG SER A 2 0.004 -23.486 31.882 1.00 0.00 O ATOM 0 H SER A 2 1.899 -22.001 30.559 1.00 0.00 H new ATOM 0 HA SER A 2 1.973 -24.737 29.475 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.176 -25.187 30.736 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.257 -25.113 31.743 1.00 0.00 H new ATOM 0 HG SER A 2 -0.327 -22.782 31.286 1.00 0.00 H new ATOM 19 N SER A 3 0.439 -23.965 27.710 1.00 0.00 N ATOM 20 CA SER A 3 -0.424 -23.513 26.625 1.00 0.00 C ATOM 21 C SER A 3 -0.806 -24.675 25.714 1.00 0.00 C ATOM 22 O SER A 3 -0.120 -25.695 25.670 1.00 0.00 O ATOM 23 CB SER A 3 0.274 -22.421 25.812 1.00 0.00 C ATOM 24 OG SER A 3 1.304 -22.966 25.005 1.00 0.00 O ATOM 0 H SER A 3 1.027 -24.765 27.476 1.00 0.00 H new ATOM 0 HA SER A 3 -1.334 -23.104 27.064 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.454 -21.911 25.182 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.693 -21.673 26.485 1.00 0.00 H new ATOM 0 HG SER A 3 1.734 -22.248 24.494 1.00 0.00 H new ATOM 30 N GLY A 4 -1.909 -24.513 24.989 1.00 0.00 N ATOM 31 CA GLY A 4 -2.365 -25.556 24.089 1.00 0.00 C ATOM 32 C GLY A 4 -3.577 -25.136 23.282 1.00 0.00 C ATOM 33 O GLY A 4 -4.407 -24.359 23.754 1.00 0.00 O ATOM 0 H GLY A 4 -2.495 -23.678 25.009 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.556 -25.825 23.410 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.608 -26.449 24.666 1.00 0.00 H new ATOM 37 N SER A 5 -3.680 -25.650 22.060 1.00 0.00 N ATOM 38 CA SER A 5 -4.797 -25.319 21.183 1.00 0.00 C ATOM 39 C SER A 5 -6.102 -25.241 21.971 1.00 0.00 C ATOM 40 O SER A 5 -6.667 -26.263 22.359 1.00 0.00 O ATOM 41 CB SER A 5 -4.924 -26.360 20.068 1.00 0.00 C ATOM 42 OG SER A 5 -3.861 -26.242 19.139 1.00 0.00 O ATOM 0 H SER A 5 -3.003 -26.297 21.655 1.00 0.00 H new ATOM 0 HA SER A 5 -4.601 -24.343 20.739 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.925 -27.361 20.499 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.877 -26.233 19.554 1.00 0.00 H new ATOM 0 HG SER A 5 -3.963 -26.919 18.437 1.00 0.00 H new ATOM 48 N SER A 6 -6.573 -24.020 22.203 1.00 0.00 N ATOM 49 CA SER A 6 -7.808 -23.807 22.948 1.00 0.00 C ATOM 50 C SER A 6 -9.008 -23.755 22.007 1.00 0.00 C ATOM 51 O SER A 6 -9.900 -22.922 22.164 1.00 0.00 O ATOM 52 CB SER A 6 -7.724 -22.511 23.756 1.00 0.00 C ATOM 53 OG SER A 6 -7.072 -22.724 24.996 1.00 0.00 O ATOM 0 H SER A 6 -6.118 -23.164 21.886 1.00 0.00 H new ATOM 0 HA SER A 6 -7.940 -24.646 23.632 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.185 -21.756 23.183 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.727 -22.122 23.931 1.00 0.00 H new ATOM 0 HG SER A 6 -7.030 -21.880 25.493 1.00 0.00 H new ATOM 59 N GLY A 7 -9.022 -24.654 21.027 1.00 0.00 N ATOM 60 CA GLY A 7 -10.116 -24.695 20.074 1.00 0.00 C ATOM 61 C GLY A 7 -10.293 -23.381 19.338 1.00 0.00 C ATOM 62 O GLY A 7 -11.158 -22.578 19.687 1.00 0.00 O ATOM 0 H GLY A 7 -8.296 -25.354 20.876 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.935 -25.491 19.352 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.040 -24.943 20.597 1.00 0.00 H new ATOM 66 N ARG A 8 -9.471 -23.162 18.317 1.00 0.00 N ATOM 67 CA ARG A 8 -9.539 -21.935 17.531 1.00 0.00 C ATOM 68 C ARG A 8 -10.012 -22.226 16.110 1.00 0.00 C ATOM 69 O ARG A 8 -9.210 -22.536 15.229 1.00 0.00 O ATOM 70 CB ARG A 8 -8.171 -21.251 17.496 1.00 0.00 C ATOM 71 CG ARG A 8 -8.243 -19.761 17.204 1.00 0.00 C ATOM 72 CD ARG A 8 -8.673 -19.494 15.770 1.00 0.00 C ATOM 73 NE ARG A 8 -8.142 -18.231 15.266 1.00 0.00 N ATOM 74 CZ ARG A 8 -8.684 -17.047 15.531 1.00 0.00 C ATOM 75 NH1 ARG A 8 -9.767 -16.966 16.292 1.00 0.00 N ATOM 76 NH2 ARG A 8 -8.143 -15.942 15.036 1.00 0.00 N ATOM 0 H ARG A 8 -8.750 -23.818 18.015 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.259 -21.268 18.005 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.674 -21.401 18.455 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.553 -21.732 16.738 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.946 -19.288 17.890 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.269 -19.307 17.383 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.334 -20.310 15.132 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.761 -19.477 15.715 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.309 -18.259 14.678 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.186 -17.814 16.675 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.181 -16.056 16.494 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.310 -16.000 14.451 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.560 -15.034 15.240 1.00 0.00 H new ATOM 90 N VAL A 9 -11.320 -22.123 15.894 1.00 0.00 N ATOM 91 CA VAL A 9 -11.900 -22.373 14.580 1.00 0.00 C ATOM 92 C VAL A 9 -12.756 -21.197 14.124 1.00 0.00 C ATOM 93 O VAL A 9 -13.785 -21.380 13.472 1.00 0.00 O ATOM 94 CB VAL A 9 -12.760 -23.651 14.581 1.00 0.00 C ATOM 95 CG1 VAL A 9 -12.997 -24.136 13.159 1.00 0.00 C ATOM 96 CG2 VAL A 9 -12.101 -24.736 15.420 1.00 0.00 C ATOM 0 H VAL A 9 -11.998 -21.868 16.612 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.069 -22.503 13.886 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.727 -23.417 15.026 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.606 -25.040 13.180 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -13.515 -23.362 12.592 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.040 -24.354 12.685 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.722 -25.632 15.410 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.120 -24.970 15.007 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.988 -24.385 16.446 1.00 0.00 H new ATOM 106 N LYS A 10 -12.325 -19.989 14.471 1.00 0.00 N ATOM 107 CA LYS A 10 -13.051 -18.781 14.096 1.00 0.00 C ATOM 108 C LYS A 10 -12.141 -17.809 13.351 1.00 0.00 C ATOM 109 O LYS A 10 -11.322 -17.122 13.960 1.00 0.00 O ATOM 110 CB LYS A 10 -13.629 -18.103 15.340 1.00 0.00 C ATOM 111 CG LYS A 10 -14.984 -18.649 15.756 1.00 0.00 C ATOM 112 CD LYS A 10 -16.097 -18.115 14.870 1.00 0.00 C ATOM 113 CE LYS A 10 -17.273 -19.078 14.812 1.00 0.00 C ATOM 114 NZ LYS A 10 -18.536 -18.388 14.428 1.00 0.00 N ATOM 0 H LYS A 10 -11.477 -19.820 15.011 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.867 -19.068 13.433 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.929 -18.222 16.167 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.720 -17.033 15.151 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.969 -19.738 15.707 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.183 -18.380 16.793 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.434 -17.150 15.249 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -15.713 -17.946 13.864 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.059 -19.870 14.094 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.400 -19.555 15.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.314 -19.078 14.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.754 -17.649 15.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.423 -17.955 13.489 1.00 0.00 H new ATOM 128 N GLN A 11 -12.293 -17.758 12.032 1.00 0.00 N ATOM 129 CA GLN A 11 -11.485 -16.869 11.205 1.00 0.00 C ATOM 130 C GLN A 11 -12.352 -16.133 10.189 1.00 0.00 C ATOM 131 O GLN A 11 -12.981 -16.751 9.329 1.00 0.00 O ATOM 132 CB GLN A 11 -10.394 -17.662 10.482 1.00 0.00 C ATOM 133 CG GLN A 11 -10.872 -18.998 9.939 1.00 0.00 C ATOM 134 CD GLN A 11 -11.002 -20.055 11.018 1.00 0.00 C ATOM 135 OE1 GLN A 11 -12.087 -20.588 11.254 1.00 0.00 O ATOM 136 NE2 GLN A 11 -9.894 -20.363 11.681 1.00 0.00 N ATOM 0 H GLN A 11 -12.967 -18.321 11.513 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.017 -16.132 11.858 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.006 -17.062 9.659 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -9.566 -17.834 11.169 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.837 -18.863 9.450 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.175 -19.346 9.177 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.016 -19.896 11.452 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.920 -21.066 12.419 1.00 0.00 H new ATOM 145 N LEU A 12 -12.382 -14.809 10.294 1.00 0.00 N ATOM 146 CA LEU A 12 -13.173 -13.987 9.385 1.00 0.00 C ATOM 147 C LEU A 12 -12.306 -12.922 8.720 1.00 0.00 C ATOM 148 O LEU A 12 -12.107 -11.837 9.268 1.00 0.00 O ATOM 149 CB LEU A 12 -14.328 -13.324 10.138 1.00 0.00 C ATOM 150 CG LEU A 12 -15.575 -14.184 10.345 1.00 0.00 C ATOM 151 CD1 LEU A 12 -16.316 -13.755 11.602 1.00 0.00 C ATOM 152 CD2 LEU A 12 -16.488 -14.101 9.131 1.00 0.00 C ATOM 0 H LEU A 12 -11.868 -14.282 11.000 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.579 -14.636 8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.964 -13.006 11.115 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.618 -12.423 9.598 1.00 0.00 H new ATOM 0 HG LEU A 12 -15.262 -15.221 10.468 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.201 -14.378 11.733 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -15.662 -13.867 12.466 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -16.618 -12.712 11.508 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -17.370 -14.719 9.296 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -16.794 -13.066 8.976 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -15.955 -14.458 8.250 1.00 0.00 H new ATOM 164 N THR A 13 -11.795 -13.237 7.534 1.00 0.00 N ATOM 165 CA THR A 13 -10.951 -12.308 6.794 1.00 0.00 C ATOM 166 C THR A 13 -11.278 -12.334 5.306 1.00 0.00 C ATOM 167 O THR A 13 -10.977 -13.305 4.611 1.00 0.00 O ATOM 168 CB THR A 13 -9.457 -12.631 6.986 1.00 0.00 C ATOM 169 OG1 THR A 13 -9.169 -13.938 6.476 1.00 0.00 O ATOM 170 CG2 THR A 13 -9.072 -12.558 8.455 1.00 0.00 C ATOM 0 H THR A 13 -11.951 -14.129 7.065 1.00 0.00 H new ATOM 0 HA THR A 13 -11.154 -11.313 7.190 1.00 0.00 H new ATOM 0 HB THR A 13 -8.874 -11.891 6.437 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.701 -14.099 5.669 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.013 -12.790 8.565 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.265 -11.554 8.832 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.662 -13.278 9.022 1.00 0.00 H new ATOM 178 N ASP A 14 -11.896 -11.262 4.822 1.00 0.00 N ATOM 179 CA ASP A 14 -12.262 -11.161 3.414 1.00 0.00 C ATOM 180 C ASP A 14 -11.089 -11.545 2.518 1.00 0.00 C ATOM 181 O ASP A 14 -9.935 -11.517 2.945 1.00 0.00 O ATOM 182 CB ASP A 14 -12.728 -9.742 3.086 1.00 0.00 C ATOM 183 CG ASP A 14 -13.406 -9.653 1.733 1.00 0.00 C ATOM 184 OD1 ASP A 14 -12.690 -9.515 0.719 1.00 0.00 O ATOM 185 OD2 ASP A 14 -14.653 -9.719 1.688 1.00 0.00 O ATOM 0 H ASP A 14 -12.154 -10.451 5.384 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.081 -11.856 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.418 -9.402 3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.872 -9.068 3.105 1.00 0.00 H new ATOM 190 N GLU A 15 -11.393 -11.903 1.274 1.00 0.00 N ATOM 191 CA GLU A 15 -10.362 -12.293 0.319 1.00 0.00 C ATOM 192 C GLU A 15 -9.076 -11.506 0.554 1.00 0.00 C ATOM 193 O GLU A 15 -7.982 -12.069 0.550 1.00 0.00 O ATOM 194 CB GLU A 15 -10.853 -12.074 -1.113 1.00 0.00 C ATOM 195 CG GLU A 15 -10.324 -13.100 -2.102 1.00 0.00 C ATOM 196 CD GLU A 15 -10.175 -12.538 -3.502 1.00 0.00 C ATOM 197 OE1 GLU A 15 -11.173 -12.011 -4.039 1.00 0.00 O ATOM 198 OE2 GLU A 15 -9.062 -12.624 -4.061 1.00 0.00 O ATOM 0 H GLU A 15 -12.343 -11.931 0.905 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.150 -13.352 0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.943 -12.101 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.556 -11.078 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.357 -13.467 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.999 -13.956 -2.128 1.00 0.00 H new ATOM 205 N GLU A 16 -9.218 -10.200 0.756 1.00 0.00 N ATOM 206 CA GLU A 16 -8.068 -9.334 0.991 1.00 0.00 C ATOM 207 C GLU A 16 -8.374 -8.304 2.074 1.00 0.00 C ATOM 208 O GLU A 16 -9.536 -8.024 2.367 1.00 0.00 O ATOM 209 CB GLU A 16 -7.663 -8.626 -0.303 1.00 0.00 C ATOM 210 CG GLU A 16 -8.737 -7.703 -0.854 1.00 0.00 C ATOM 211 CD GLU A 16 -9.857 -8.458 -1.543 1.00 0.00 C ATOM 212 OE1 GLU A 16 -9.556 -9.317 -2.397 1.00 0.00 O ATOM 213 OE2 GLU A 16 -11.035 -8.189 -1.227 1.00 0.00 O ATOM 0 H GLU A 16 -10.117 -9.718 0.762 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.240 -9.956 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.757 -8.048 -0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.419 -9.375 -1.056 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.152 -7.108 -0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.285 -7.007 -1.560 1.00 0.00 H new ATOM 220 N GLU A 17 -7.322 -7.744 2.664 1.00 0.00 N ATOM 221 CA GLU A 17 -7.479 -6.746 3.715 1.00 0.00 C ATOM 222 C GLU A 17 -6.126 -6.172 4.127 1.00 0.00 C ATOM 223 O GLU A 17 -5.127 -6.890 4.188 1.00 0.00 O ATOM 224 CB GLU A 17 -8.177 -7.359 4.932 1.00 0.00 C ATOM 225 CG GLU A 17 -7.450 -8.564 5.507 1.00 0.00 C ATOM 226 CD GLU A 17 -7.853 -9.862 4.835 1.00 0.00 C ATOM 227 OE1 GLU A 17 -9.053 -10.203 4.871 1.00 0.00 O ATOM 228 OE2 GLU A 17 -6.965 -10.538 4.273 1.00 0.00 O ATOM 0 H GLU A 17 -6.353 -7.964 2.432 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.094 -5.936 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.272 -6.599 5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.187 -7.655 4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.375 -8.421 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.656 -8.633 6.575 1.00 0.00 H new ATOM 235 N CYS A 18 -6.102 -4.874 4.408 1.00 0.00 N ATOM 236 CA CYS A 18 -4.873 -4.201 4.812 1.00 0.00 C ATOM 237 C CYS A 18 -4.084 -5.058 5.798 1.00 0.00 C ATOM 238 O CYS A 18 -4.640 -5.939 6.454 1.00 0.00 O ATOM 239 CB CYS A 18 -5.193 -2.844 5.441 1.00 0.00 C ATOM 240 SG CYS A 18 -3.723 -1.865 5.887 1.00 0.00 S ATOM 0 H CYS A 18 -6.920 -4.266 4.363 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.263 -4.046 3.922 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.802 -2.268 4.745 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.795 -3.003 6.335 1.00 0.00 H new ATOM 245 N CYS A 19 -2.786 -4.791 5.897 1.00 0.00 N ATOM 246 CA CYS A 19 -1.920 -5.538 6.803 1.00 0.00 C ATOM 247 C CYS A 19 -1.441 -4.653 7.950 1.00 0.00 C ATOM 248 O CYS A 19 -1.301 -5.112 9.084 1.00 0.00 O ATOM 249 CB CYS A 19 -0.719 -6.102 6.043 1.00 0.00 C ATOM 250 SG CYS A 19 -1.039 -7.683 5.226 1.00 0.00 S ATOM 0 H CYS A 19 -2.311 -4.064 5.362 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.497 -6.363 7.221 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.403 -5.376 5.294 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.112 -6.226 6.738 1.00 0.00 H new ATOM 0 HG CYS A 19 0.035 -8.077 4.608 1.00 0.00 H new ATOM 256 N ILE A 20 -1.191 -3.384 7.646 1.00 0.00 N ATOM 257 CA ILE A 20 -0.727 -2.436 8.651 1.00 0.00 C ATOM 258 C ILE A 20 -1.756 -2.267 9.764 1.00 0.00 C ATOM 259 O ILE A 20 -1.496 -2.600 10.921 1.00 0.00 O ATOM 260 CB ILE A 20 -0.429 -1.058 8.030 1.00 0.00 C ATOM 261 CG1 ILE A 20 0.683 -1.175 6.986 1.00 0.00 C ATOM 262 CG2 ILE A 20 -0.043 -0.061 9.113 1.00 0.00 C ATOM 263 CD1 ILE A 20 0.912 0.098 6.202 1.00 0.00 C ATOM 0 H ILE A 20 -1.302 -2.989 6.712 1.00 0.00 H new ATOM 0 HA ILE A 20 0.193 -2.844 9.069 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.330 -0.696 7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.610 -1.457 7.485 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.437 -1.980 6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.165 0.908 8.658 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.863 0.040 9.824 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.847 -0.416 9.634 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.714 -0.058 5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.002 0.370 5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.190 0.901 6.885 1.00 0.00 H new ATOM 275 N CYS A 21 -2.927 -1.750 9.407 1.00 0.00 N ATOM 276 CA CYS A 21 -3.997 -1.538 10.374 1.00 0.00 C ATOM 277 C CYS A 21 -4.997 -2.690 10.339 1.00 0.00 C ATOM 278 O CYS A 21 -5.843 -2.818 11.223 1.00 0.00 O ATOM 279 CB CYS A 21 -4.714 -0.217 10.091 1.00 0.00 C ATOM 280 SG CYS A 21 -5.784 -0.252 8.617 1.00 0.00 S ATOM 0 H CYS A 21 -3.159 -1.470 8.454 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.552 -1.496 11.368 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.318 0.049 10.959 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.969 0.569 9.967 1.00 0.00 H new ATOM 285 N MET A 22 -4.893 -3.526 9.311 1.00 0.00 N ATOM 286 CA MET A 22 -5.787 -4.668 9.161 1.00 0.00 C ATOM 287 C MET A 22 -7.226 -4.278 9.485 1.00 0.00 C ATOM 288 O MET A 22 -7.884 -4.919 10.305 1.00 0.00 O ATOM 289 CB MET A 22 -5.341 -5.815 10.071 1.00 0.00 C ATOM 290 CG MET A 22 -4.066 -6.499 9.604 1.00 0.00 C ATOM 291 SD MET A 22 -4.386 -7.866 8.473 1.00 0.00 S ATOM 292 CE MET A 22 -3.004 -8.943 8.843 1.00 0.00 C ATOM 0 H MET A 22 -4.199 -3.434 8.570 1.00 0.00 H new ATOM 0 HA MET A 22 -5.743 -4.998 8.123 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.189 -5.430 11.079 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.140 -6.554 10.129 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.425 -5.768 9.112 1.00 0.00 H new ATOM 0 HG3 MET A 22 -3.519 -6.870 10.471 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.062 -9.836 8.221 1.00 0.00 H new ATOM 0 HE2 MET A 22 -2.070 -8.419 8.640 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.038 -9.230 9.894 1.00 0.00 H new ATOM 302 N ASP A 23 -7.708 -3.224 8.836 1.00 0.00 N ATOM 303 CA ASP A 23 -9.070 -2.749 9.054 1.00 0.00 C ATOM 304 C ASP A 23 -10.087 -3.810 8.646 1.00 0.00 C ATOM 305 O ASP A 23 -10.845 -4.309 9.477 1.00 0.00 O ATOM 306 CB ASP A 23 -9.315 -1.460 8.268 1.00 0.00 C ATOM 307 CG ASP A 23 -10.771 -1.039 8.287 1.00 0.00 C ATOM 308 OD1 ASP A 23 -11.244 -0.583 9.350 1.00 0.00 O ATOM 309 OD2 ASP A 23 -11.438 -1.163 7.239 1.00 0.00 O ATOM 0 H ASP A 23 -7.176 -2.682 8.155 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.192 -2.545 10.118 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.703 -0.661 8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.994 -1.600 7.236 1.00 0.00 H new ATOM 314 N GLY A 24 -10.099 -4.148 7.360 1.00 0.00 N ATOM 315 CA GLY A 24 -11.028 -5.147 6.865 1.00 0.00 C ATOM 316 C GLY A 24 -10.939 -5.326 5.362 1.00 0.00 C ATOM 317 O GLY A 24 -11.016 -6.446 4.858 1.00 0.00 O ATOM 0 H GLY A 24 -9.482 -3.748 6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.827 -6.100 7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.044 -4.859 7.134 1.00 0.00 H new ATOM 321 N ARG A 25 -10.780 -4.218 4.644 1.00 0.00 N ATOM 322 CA ARG A 25 -10.685 -4.258 3.190 1.00 0.00 C ATOM 323 C ARG A 25 -9.288 -3.856 2.726 1.00 0.00 C ATOM 324 O ARG A 25 -8.512 -3.278 3.487 1.00 0.00 O ATOM 325 CB ARG A 25 -11.728 -3.331 2.564 1.00 0.00 C ATOM 326 CG ARG A 25 -11.404 -1.854 2.723 1.00 0.00 C ATOM 327 CD ARG A 25 -12.371 -0.984 1.935 1.00 0.00 C ATOM 328 NE ARG A 25 -12.276 0.423 2.315 1.00 0.00 N ATOM 329 CZ ARG A 25 -12.840 1.410 1.628 1.00 0.00 C ATOM 330 NH1 ARG A 25 -13.537 1.145 0.532 1.00 0.00 N ATOM 331 NH2 ARG A 25 -12.709 2.665 2.038 1.00 0.00 N ATOM 0 H ARG A 25 -10.714 -3.283 5.046 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.877 -5.281 2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.817 -3.563 1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -12.699 -3.532 3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.445 -1.583 3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.385 -1.665 2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.165 -1.086 0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -13.390 -1.335 2.098 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.747 0.661 3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.641 0.181 0.214 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.969 1.905 0.006 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -12.175 2.873 2.882 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -13.143 3.422 1.510 1.00 0.00 H new ATOM 345 N ALA A 26 -8.974 -4.167 1.473 1.00 0.00 N ATOM 346 CA ALA A 26 -7.672 -3.837 0.907 1.00 0.00 C ATOM 347 C ALA A 26 -7.819 -3.172 -0.458 1.00 0.00 C ATOM 348 O ALA A 26 -8.331 -3.775 -1.401 1.00 0.00 O ATOM 349 CB ALA A 26 -6.812 -5.087 0.797 1.00 0.00 C ATOM 0 H ALA A 26 -9.604 -4.647 0.830 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.182 -3.130 1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.843 -4.826 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.670 -5.519 1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.306 -5.813 0.152 1.00 0.00 H new ATOM 355 N ASP A 27 -7.367 -1.926 -0.555 1.00 0.00 N ATOM 356 CA ASP A 27 -7.448 -1.179 -1.805 1.00 0.00 C ATOM 357 C ASP A 27 -6.499 -1.761 -2.848 1.00 0.00 C ATOM 358 O ASP A 27 -6.862 -1.920 -4.014 1.00 0.00 O ATOM 359 CB ASP A 27 -7.119 0.295 -1.565 1.00 0.00 C ATOM 360 CG ASP A 27 -7.683 1.197 -2.645 1.00 0.00 C ATOM 361 OD1 ASP A 27 -8.853 0.997 -3.035 1.00 0.00 O ATOM 362 OD2 ASP A 27 -6.955 2.103 -3.101 1.00 0.00 O ATOM 0 H ASP A 27 -6.941 -1.412 0.217 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.468 -1.259 -2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.516 0.600 -0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.037 0.420 -1.519 1.00 0.00 H new ATOM 367 N LEU A 28 -5.281 -2.077 -2.422 1.00 0.00 N ATOM 368 CA LEU A 28 -4.278 -2.640 -3.319 1.00 0.00 C ATOM 369 C LEU A 28 -3.484 -3.742 -2.625 1.00 0.00 C ATOM 370 O LEU A 28 -3.293 -3.711 -1.409 1.00 0.00 O ATOM 371 CB LEU A 28 -3.330 -1.544 -3.810 1.00 0.00 C ATOM 372 CG LEU A 28 -2.783 -0.601 -2.738 1.00 0.00 C ATOM 373 CD1 LEU A 28 -1.594 -1.231 -2.029 1.00 0.00 C ATOM 374 CD2 LEU A 28 -2.393 0.735 -3.352 1.00 0.00 C ATOM 0 H LEU A 28 -4.964 -1.953 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.795 -3.074 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.487 -2.019 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.852 -0.948 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.567 -0.425 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.218 -0.545 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.904 -2.162 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.806 -1.437 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.006 1.394 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.625 0.577 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.268 1.193 -3.813 1.00 0.00 H new ATOM 386 N ILE A 29 -3.021 -4.712 -3.406 1.00 0.00 N ATOM 387 CA ILE A 29 -2.245 -5.822 -2.866 1.00 0.00 C ATOM 388 C ILE A 29 -0.885 -5.924 -3.548 1.00 0.00 C ATOM 389 O ILE A 29 -0.782 -5.818 -4.771 1.00 0.00 O ATOM 390 CB ILE A 29 -2.989 -7.161 -3.026 1.00 0.00 C ATOM 391 CG1 ILE A 29 -4.402 -7.056 -2.448 1.00 0.00 C ATOM 392 CG2 ILE A 29 -2.215 -8.281 -2.349 1.00 0.00 C ATOM 393 CD1 ILE A 29 -5.432 -6.589 -3.451 1.00 0.00 C ATOM 0 H ILE A 29 -3.170 -4.752 -4.414 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.103 -5.620 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.068 -7.392 -4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.700 -8.030 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.390 -6.367 -1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.754 -9.221 -2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.228 -8.367 -2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.108 -8.059 -1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.410 -6.538 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.158 -5.601 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.473 -7.290 -4.284 1.00 0.00 H new ATOM 405 N LEU A 30 0.157 -6.133 -2.751 1.00 0.00 N ATOM 406 CA LEU A 30 1.512 -6.252 -3.278 1.00 0.00 C ATOM 407 C LEU A 30 1.857 -7.709 -3.569 1.00 0.00 C ATOM 408 O LEU A 30 1.278 -8.635 -3.001 1.00 0.00 O ATOM 409 CB LEU A 30 2.519 -5.667 -2.286 1.00 0.00 C ATOM 410 CG LEU A 30 2.564 -4.141 -2.197 1.00 0.00 C ATOM 411 CD1 LEU A 30 3.608 -3.695 -1.185 1.00 0.00 C ATOM 412 CD2 LEU A 30 2.851 -3.535 -3.564 1.00 0.00 C ATOM 0 H LEU A 30 0.090 -6.224 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 30 1.563 -5.692 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.295 -6.062 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.513 -6.025 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 30 1.589 -3.787 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.625 -2.606 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.359 -4.099 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.589 -4.060 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.879 -2.448 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.813 -3.897 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.066 -3.826 -4.263 1.00 0.00 H new ATOM 424 N PRO A 31 2.823 -7.919 -4.475 1.00 0.00 N ATOM 425 CA PRO A 31 3.269 -9.261 -4.861 1.00 0.00 C ATOM 426 C PRO A 31 4.030 -9.963 -3.741 1.00 0.00 C ATOM 427 O PRO A 31 4.477 -11.100 -3.898 1.00 0.00 O ATOM 428 CB PRO A 31 4.193 -8.999 -6.053 1.00 0.00 C ATOM 429 CG PRO A 31 4.683 -7.606 -5.854 1.00 0.00 C ATOM 430 CD PRO A 31 3.556 -6.862 -5.192 1.00 0.00 C ATOM 0 HA PRO A 31 2.431 -9.919 -5.091 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.019 -9.710 -6.077 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.659 -9.099 -6.998 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.578 -7.592 -5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.949 -7.146 -6.806 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.926 -6.096 -4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.923 -6.359 -5.923 1.00 0.00 H new ATOM 438 N CYS A 32 4.174 -9.280 -2.611 1.00 0.00 N ATOM 439 CA CYS A 32 4.881 -9.837 -1.464 1.00 0.00 C ATOM 440 C CYS A 32 3.926 -10.069 -0.297 1.00 0.00 C ATOM 441 O CYS A 32 4.334 -10.050 0.865 1.00 0.00 O ATOM 442 CB CYS A 32 6.014 -8.903 -1.034 1.00 0.00 C ATOM 443 SG CYS A 32 5.502 -7.170 -0.803 1.00 0.00 S ATOM 0 H CYS A 32 3.810 -8.338 -2.465 1.00 0.00 H new ATOM 0 HA CYS A 32 5.304 -10.797 -1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.440 -9.272 -0.101 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.805 -8.940 -1.783 1.00 0.00 H new ATOM 448 N ALA A 33 2.654 -10.287 -0.614 1.00 0.00 N ATOM 449 CA ALA A 33 1.642 -10.524 0.408 1.00 0.00 C ATOM 450 C ALA A 33 1.536 -9.339 1.362 1.00 0.00 C ATOM 451 O ALA A 33 1.656 -9.495 2.577 1.00 0.00 O ATOM 452 CB ALA A 33 1.959 -11.797 1.178 1.00 0.00 C ATOM 0 H ALA A 33 2.300 -10.304 -1.570 1.00 0.00 H new ATOM 0 HA ALA A 33 0.679 -10.643 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.195 -11.962 1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.976 -12.643 0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.933 -11.699 1.657 1.00 0.00 H new ATOM 458 N HIS A 34 1.312 -8.154 0.803 1.00 0.00 N ATOM 459 CA HIS A 34 1.189 -6.942 1.604 1.00 0.00 C ATOM 460 C HIS A 34 0.213 -5.961 0.962 1.00 0.00 C ATOM 461 O HIS A 34 0.440 -5.482 -0.149 1.00 0.00 O ATOM 462 CB HIS A 34 2.556 -6.278 1.776 1.00 0.00 C ATOM 463 CG HIS A 34 3.475 -7.028 2.691 1.00 0.00 C ATOM 464 ND1 HIS A 34 4.837 -7.105 2.493 1.00 0.00 N ATOM 465 CD2 HIS A 34 3.220 -7.735 3.817 1.00 0.00 C ATOM 466 CE1 HIS A 34 5.380 -7.828 3.455 1.00 0.00 C ATOM 467 NE2 HIS A 34 4.420 -8.222 4.273 1.00 0.00 N ATOM 0 H HIS A 34 1.212 -8.008 -0.201 1.00 0.00 H new ATOM 0 HA HIS A 34 0.803 -7.223 2.584 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.029 -6.181 0.799 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.415 -5.269 2.163 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.252 -7.888 4.272 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.430 -8.058 3.556 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.549 -8.795 5.107 1.00 0.00 H new ATOM 475 N SER A 35 -0.875 -5.669 1.668 1.00 0.00 N ATOM 476 CA SER A 35 -1.889 -4.750 1.164 1.00 0.00 C ATOM 477 C SER A 35 -1.903 -3.459 1.977 1.00 0.00 C ATOM 478 O SER A 35 -1.330 -3.389 3.064 1.00 0.00 O ATOM 479 CB SER A 35 -3.270 -5.408 1.206 1.00 0.00 C ATOM 480 OG SER A 35 -3.579 -5.861 2.513 1.00 0.00 O ATOM 0 H SER A 35 -1.077 -6.055 2.590 1.00 0.00 H new ATOM 0 HA SER A 35 -1.642 -4.506 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.026 -4.695 0.876 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.298 -6.247 0.511 1.00 0.00 H new ATOM 0 HG SER A 35 -4.287 -6.537 2.466 1.00 0.00 H new ATOM 486 N PHE A 36 -2.563 -2.437 1.441 1.00 0.00 N ATOM 487 CA PHE A 36 -2.652 -1.147 2.114 1.00 0.00 C ATOM 488 C PHE A 36 -3.975 -0.457 1.796 1.00 0.00 C ATOM 489 O PHE A 36 -4.272 -0.161 0.638 1.00 0.00 O ATOM 490 CB PHE A 36 -1.484 -0.250 1.700 1.00 0.00 C ATOM 491 CG PHE A 36 -0.143 -0.914 1.827 1.00 0.00 C ATOM 492 CD1 PHE A 36 0.191 -1.991 1.020 1.00 0.00 C ATOM 493 CD2 PHE A 36 0.784 -0.463 2.753 1.00 0.00 C ATOM 494 CE1 PHE A 36 1.424 -2.604 1.135 1.00 0.00 C ATOM 495 CE2 PHE A 36 2.018 -1.072 2.871 1.00 0.00 C ATOM 496 CZ PHE A 36 2.339 -2.145 2.062 1.00 0.00 C ATOM 0 H PHE A 36 -3.044 -2.478 0.542 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.603 -1.323 3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.628 0.066 0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.494 0.651 2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.521 -2.355 0.293 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.539 0.374 3.390 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.672 -3.442 0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.732 -0.709 3.596 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.303 -2.623 2.154 1.00 0.00 H new ATOM 506 N CYS A 37 -4.769 -0.206 2.832 1.00 0.00 N ATOM 507 CA CYS A 37 -6.061 0.448 2.665 1.00 0.00 C ATOM 508 C CYS A 37 -5.884 1.923 2.317 1.00 0.00 C ATOM 509 O CYS A 37 -4.823 2.502 2.549 1.00 0.00 O ATOM 510 CB CYS A 37 -6.894 0.310 3.941 1.00 0.00 C ATOM 511 SG CYS A 37 -6.196 1.178 5.382 1.00 0.00 S ATOM 0 H CYS A 37 -4.540 -0.446 3.796 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.584 -0.040 1.843 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.897 0.692 3.751 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.997 -0.748 4.182 1.00 0.00 H new ATOM 516 N GLN A 38 -6.931 2.523 1.760 1.00 0.00 N ATOM 517 CA GLN A 38 -6.891 3.930 1.379 1.00 0.00 C ATOM 518 C GLN A 38 -6.370 4.790 2.527 1.00 0.00 C ATOM 519 O GLN A 38 -5.466 5.605 2.344 1.00 0.00 O ATOM 520 CB GLN A 38 -8.283 4.407 0.961 1.00 0.00 C ATOM 521 CG GLN A 38 -8.268 5.703 0.167 1.00 0.00 C ATOM 522 CD GLN A 38 -7.280 6.713 0.715 1.00 0.00 C ATOM 523 OE1 GLN A 38 -7.461 7.244 1.811 1.00 0.00 O ATOM 524 NE2 GLN A 38 -6.226 6.983 -0.046 1.00 0.00 N ATOM 0 H GLN A 38 -7.817 2.057 1.563 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.210 4.032 0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.760 3.630 0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.894 4.544 1.853 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.020 5.485 -0.872 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.267 6.139 0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.116 6.519 -0.948 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.526 7.654 0.271 1.00 0.00 H new ATOM 533 N LYS A 39 -6.945 4.601 3.709 1.00 0.00 N ATOM 534 CA LYS A 39 -6.539 5.358 4.888 1.00 0.00 C ATOM 535 C LYS A 39 -5.021 5.363 5.034 1.00 0.00 C ATOM 536 O LYS A 39 -4.392 6.421 5.049 1.00 0.00 O ATOM 537 CB LYS A 39 -7.182 4.768 6.145 1.00 0.00 C ATOM 538 CG LYS A 39 -8.678 5.012 6.235 1.00 0.00 C ATOM 539 CD LYS A 39 -8.985 6.418 6.724 1.00 0.00 C ATOM 540 CE LYS A 39 -10.296 6.466 7.494 1.00 0.00 C ATOM 541 NZ LYS A 39 -11.473 6.498 6.584 1.00 0.00 N ATOM 0 H LYS A 39 -7.694 3.930 3.877 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.878 6.387 4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.996 3.694 6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.699 5.195 7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.132 4.859 5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.126 4.284 6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.174 6.768 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.036 7.097 5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.366 5.596 8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.309 7.348 8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.347 6.530 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.420 7.342 5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.476 5.644 5.990 1.00 0.00 H new ATOM 555 N CYS A 40 -4.438 4.173 5.142 1.00 0.00 N ATOM 556 CA CYS A 40 -2.993 4.040 5.287 1.00 0.00 C ATOM 557 C CYS A 40 -2.265 4.734 4.139 1.00 0.00 C ATOM 558 O CYS A 40 -1.558 5.721 4.347 1.00 0.00 O ATOM 559 CB CYS A 40 -2.599 2.562 5.335 1.00 0.00 C ATOM 560 SG CYS A 40 -3.019 1.731 6.901 1.00 0.00 S ATOM 0 H CYS A 40 -4.944 3.287 5.132 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.701 4.519 6.222 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.091 2.039 4.515 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.525 2.478 5.168 1.00 0.00 H new ATOM 565 N ILE A 41 -2.443 4.213 2.931 1.00 0.00 N ATOM 566 CA ILE A 41 -1.805 4.783 1.751 1.00 0.00 C ATOM 567 C ILE A 41 -1.832 6.307 1.794 1.00 0.00 C ATOM 568 O ILE A 41 -0.798 6.961 1.660 1.00 0.00 O ATOM 569 CB ILE A 41 -2.486 4.305 0.455 1.00 0.00 C ATOM 570 CG1 ILE A 41 -2.365 2.786 0.321 1.00 0.00 C ATOM 571 CG2 ILE A 41 -1.874 4.999 -0.752 1.00 0.00 C ATOM 572 CD1 ILE A 41 -3.433 2.170 -0.556 1.00 0.00 C ATOM 0 H ILE A 41 -3.024 3.396 2.743 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.771 4.440 1.755 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.544 4.564 0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.385 2.542 -0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.417 2.337 1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.366 4.651 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.007 6.077 -0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.810 4.768 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.285 1.091 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.416 2.383 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.368 2.592 -1.559 1.00 0.00 H new ATOM 584 N ASP A 42 -3.022 6.867 1.984 1.00 0.00 N ATOM 585 CA ASP A 42 -3.185 8.314 2.048 1.00 0.00 C ATOM 586 C ASP A 42 -2.130 8.940 2.955 1.00 0.00 C ATOM 587 O ASP A 42 -1.506 9.941 2.601 1.00 0.00 O ATOM 588 CB ASP A 42 -4.585 8.670 2.553 1.00 0.00 C ATOM 589 CG ASP A 42 -5.037 10.040 2.087 1.00 0.00 C ATOM 590 OD1 ASP A 42 -5.519 10.146 0.940 1.00 0.00 O ATOM 591 OD2 ASP A 42 -4.910 11.005 2.869 1.00 0.00 O ATOM 0 H ASP A 42 -3.888 6.340 2.096 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.058 8.714 1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.295 7.919 2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.594 8.639 3.643 1.00 0.00 H new ATOM 596 N LYS A 43 -1.935 8.345 4.126 1.00 0.00 N ATOM 597 CA LYS A 43 -0.956 8.843 5.085 1.00 0.00 C ATOM 598 C LYS A 43 0.459 8.725 4.528 1.00 0.00 C ATOM 599 O LYS A 43 1.200 9.706 4.478 1.00 0.00 O ATOM 600 CB LYS A 43 -1.063 8.071 6.402 1.00 0.00 C ATOM 601 CG LYS A 43 -2.377 8.290 7.131 1.00 0.00 C ATOM 602 CD LYS A 43 -2.305 9.489 8.062 1.00 0.00 C ATOM 603 CE LYS A 43 -3.277 9.352 9.224 1.00 0.00 C ATOM 604 NZ LYS A 43 -4.692 9.494 8.782 1.00 0.00 N ATOM 0 H LYS A 43 -2.443 7.516 4.435 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.169 9.896 5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.942 7.007 6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.242 8.367 7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.176 8.439 6.405 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.629 7.398 7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.290 9.593 8.446 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.529 10.398 7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.141 8.381 9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.053 10.109 9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.324 9.395 9.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.829 10.431 8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.913 8.756 8.083 1.00 0.00 H new ATOM 618 N TRP A 44 0.826 7.519 4.109 1.00 0.00 N ATOM 619 CA TRP A 44 2.153 7.274 3.553 1.00 0.00 C ATOM 620 C TRP A 44 2.564 8.398 2.609 1.00 0.00 C ATOM 621 O TRP A 44 2.005 8.543 1.522 1.00 0.00 O ATOM 622 CB TRP A 44 2.180 5.935 2.815 1.00 0.00 C ATOM 623 CG TRP A 44 2.476 4.769 3.709 1.00 0.00 C ATOM 624 CD1 TRP A 44 1.567 3.936 4.296 1.00 0.00 C ATOM 625 CD2 TRP A 44 3.768 4.309 4.117 1.00 0.00 C ATOM 626 NE1 TRP A 44 2.218 2.986 5.046 1.00 0.00 N ATOM 627 CE2 TRP A 44 3.569 3.193 4.952 1.00 0.00 C ATOM 628 CE3 TRP A 44 5.075 4.731 3.858 1.00 0.00 C ATOM 629 CZ2 TRP A 44 4.627 2.495 5.528 1.00 0.00 C ATOM 630 CZ3 TRP A 44 6.125 4.038 4.431 1.00 0.00 C ATOM 631 CH2 TRP A 44 5.896 2.930 5.257 1.00 0.00 C ATOM 0 H TRP A 44 0.224 6.696 4.143 1.00 0.00 H new ATOM 0 HA TRP A 44 2.865 7.240 4.378 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.217 5.776 2.330 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.931 5.978 2.026 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.495 4.012 4.187 1.00 0.00 H new ATOM 0 HE1 TRP A 44 1.768 2.246 5.585 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.261 5.583 3.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.453 1.641 6.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 7.139 4.356 4.239 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.738 2.409 5.689 1.00 0.00 H new ATOM 642 N SER A 45 3.543 9.192 3.031 1.00 0.00 N ATOM 643 CA SER A 45 4.026 10.306 2.223 1.00 0.00 C ATOM 644 C SER A 45 5.226 9.886 1.381 1.00 0.00 C ATOM 645 O SER A 45 5.311 10.210 0.196 1.00 0.00 O ATOM 646 CB SER A 45 4.405 11.486 3.119 1.00 0.00 C ATOM 647 OG SER A 45 5.304 11.084 4.139 1.00 0.00 O ATOM 0 H SER A 45 4.017 9.085 3.928 1.00 0.00 H new ATOM 0 HA SER A 45 3.223 10.611 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.861 12.272 2.517 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.506 11.909 3.568 1.00 0.00 H new ATOM 0 HG SER A 45 5.532 11.857 4.697 1.00 0.00 H new ATOM 653 N ASP A 46 6.152 9.162 2.001 1.00 0.00 N ATOM 654 CA ASP A 46 7.348 8.696 1.309 1.00 0.00 C ATOM 655 C ASP A 46 6.985 7.724 0.191 1.00 0.00 C ATOM 656 O ASP A 46 6.442 6.648 0.442 1.00 0.00 O ATOM 657 CB ASP A 46 8.304 8.024 2.296 1.00 0.00 C ATOM 658 CG ASP A 46 8.539 8.862 3.537 1.00 0.00 C ATOM 659 OD1 ASP A 46 8.628 10.101 3.408 1.00 0.00 O ATOM 660 OD2 ASP A 46 8.633 8.279 4.637 1.00 0.00 O ATOM 0 H ASP A 46 6.097 8.885 2.981 1.00 0.00 H new ATOM 0 HA ASP A 46 7.843 9.561 0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.899 7.055 2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.257 7.836 1.803 1.00 0.00 H new ATOM 665 N ARG A 47 7.288 8.111 -1.044 1.00 0.00 N ATOM 666 CA ARG A 47 6.991 7.274 -2.201 1.00 0.00 C ATOM 667 C ARG A 47 8.229 6.500 -2.644 1.00 0.00 C ATOM 668 O ARG A 47 9.306 7.074 -2.812 1.00 0.00 O ATOM 669 CB ARG A 47 6.472 8.131 -3.357 1.00 0.00 C ATOM 670 CG ARG A 47 6.135 7.332 -4.605 1.00 0.00 C ATOM 671 CD ARG A 47 7.390 6.917 -5.356 1.00 0.00 C ATOM 672 NE ARG A 47 7.155 6.804 -6.793 1.00 0.00 N ATOM 673 CZ ARG A 47 7.033 7.850 -7.603 1.00 0.00 C ATOM 674 NH1 ARG A 47 7.124 9.081 -7.119 1.00 0.00 N ATOM 675 NH2 ARG A 47 6.821 7.666 -8.899 1.00 0.00 N ATOM 0 H ARG A 47 7.739 8.998 -1.269 1.00 0.00 H new ATOM 0 HA ARG A 47 6.220 6.559 -1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.582 8.668 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.223 8.881 -3.608 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.565 6.445 -4.328 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.498 7.928 -5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.179 7.646 -5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.744 5.961 -4.970 1.00 0.00 H new ATOM 0 HE ARG A 47 7.080 5.870 -7.197 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.288 9.227 -6.123 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.030 9.883 -7.743 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.751 6.720 -9.275 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.728 8.470 -9.520 1.00 0.00 H new ATOM 689 N HIS A 48 8.069 5.194 -2.831 1.00 0.00 N ATOM 690 CA HIS A 48 9.173 4.341 -3.254 1.00 0.00 C ATOM 691 C HIS A 48 8.654 3.035 -3.848 1.00 0.00 C ATOM 692 O HIS A 48 8.015 2.239 -3.158 1.00 0.00 O ATOM 693 CB HIS A 48 10.099 4.046 -2.074 1.00 0.00 C ATOM 694 CG HIS A 48 9.385 3.953 -0.761 1.00 0.00 C ATOM 695 ND1 HIS A 48 8.811 5.041 -0.138 1.00 0.00 N ATOM 696 CD2 HIS A 48 9.152 2.892 0.047 1.00 0.00 C ATOM 697 CE1 HIS A 48 8.257 4.654 0.998 1.00 0.00 C ATOM 698 NE2 HIS A 48 8.450 3.354 1.133 1.00 0.00 N ATOM 0 H HIS A 48 7.185 4.703 -2.696 1.00 0.00 H new ATOM 0 HA HIS A 48 9.735 4.871 -4.023 1.00 0.00 H new ATOM 0 HB2 HIS A 48 10.624 3.109 -2.260 1.00 0.00 H new ATOM 0 HB3 HIS A 48 10.856 4.828 -2.012 1.00 0.00 H new ATOM 0 HD2 HIS A 48 9.461 1.872 -0.130 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.736 5.292 1.697 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.129 2.786 1.917 1.00 0.00 H new ATOM 706 N ARG A 49 8.933 2.821 -5.129 1.00 0.00 N ATOM 707 CA ARG A 49 8.492 1.612 -5.816 1.00 0.00 C ATOM 708 C ARG A 49 8.600 0.397 -4.899 1.00 0.00 C ATOM 709 O ARG A 49 7.791 -0.527 -4.979 1.00 0.00 O ATOM 710 CB ARG A 49 9.323 1.386 -7.080 1.00 0.00 C ATOM 711 CG ARG A 49 9.004 0.083 -7.794 1.00 0.00 C ATOM 712 CD ARG A 49 7.819 0.239 -8.734 1.00 0.00 C ATOM 713 NE ARG A 49 7.302 -1.051 -9.182 1.00 0.00 N ATOM 714 CZ ARG A 49 7.917 -1.819 -10.075 1.00 0.00 C ATOM 715 NH1 ARG A 49 9.065 -1.429 -10.611 1.00 0.00 N ATOM 716 NH2 ARG A 49 7.384 -2.981 -10.432 1.00 0.00 N ATOM 0 H ARG A 49 9.462 3.469 -5.713 1.00 0.00 H new ATOM 0 HA ARG A 49 7.447 1.743 -6.096 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.158 2.216 -7.766 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.380 1.396 -6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.876 -0.247 -8.358 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.787 -0.692 -7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.026 0.792 -8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.118 0.830 -9.600 1.00 0.00 H new ATOM 0 HE ARG A 49 6.421 -1.381 -8.788 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.478 -0.537 -10.338 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.535 -2.021 -11.296 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.502 -3.285 -10.021 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.857 -3.570 -11.118 1.00 0.00 H new ATOM 730 N ASN A 50 9.605 0.405 -4.030 1.00 0.00 N ATOM 731 CA ASN A 50 9.819 -0.697 -3.099 1.00 0.00 C ATOM 732 C ASN A 50 8.725 -0.732 -2.036 1.00 0.00 C ATOM 733 O ASN A 50 8.080 0.280 -1.760 1.00 0.00 O ATOM 734 CB ASN A 50 11.190 -0.569 -2.432 1.00 0.00 C ATOM 735 CG ASN A 50 11.136 0.240 -1.150 1.00 0.00 C ATOM 736 OD1 ASN A 50 10.421 -0.110 -0.211 1.00 0.00 O ATOM 737 ND2 ASN A 50 11.895 1.329 -1.106 1.00 0.00 N ATOM 0 H ASN A 50 10.284 1.162 -3.951 1.00 0.00 H new ATOM 0 HA ASN A 50 9.782 -1.629 -3.663 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.580 -1.564 -2.215 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.886 -0.099 -3.126 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.901 1.913 -0.270 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.472 1.581 -1.908 1.00 0.00 H new ATOM 744 N CYS A 51 8.522 -1.903 -1.442 1.00 0.00 N ATOM 745 CA CYS A 51 7.507 -2.072 -0.410 1.00 0.00 C ATOM 746 C CYS A 51 8.023 -1.591 0.944 1.00 0.00 C ATOM 747 O CYS A 51 9.162 -1.852 1.330 1.00 0.00 O ATOM 748 CB CYS A 51 7.085 -3.539 -0.314 1.00 0.00 C ATOM 749 SG CYS A 51 6.105 -3.937 1.169 1.00 0.00 S ATOM 0 H CYS A 51 9.048 -2.750 -1.658 1.00 0.00 H new ATOM 0 HA CYS A 51 6.642 -1.469 -0.686 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.505 -3.797 -1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.978 -4.164 -0.325 1.00 0.00 H new ATOM 754 N PRO A 52 7.165 -0.871 1.682 1.00 0.00 N ATOM 755 CA PRO A 52 7.511 -0.339 3.003 1.00 0.00 C ATOM 756 C PRO A 52 7.646 -1.436 4.053 1.00 0.00 C ATOM 757 O PRO A 52 8.631 -1.485 4.790 1.00 0.00 O ATOM 758 CB PRO A 52 6.331 0.578 3.336 1.00 0.00 C ATOM 759 CG PRO A 52 5.192 0.031 2.547 1.00 0.00 C ATOM 760 CD PRO A 52 5.791 -0.522 1.283 1.00 0.00 C ATOM 0 HA PRO A 52 8.475 0.169 2.998 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.113 0.570 4.404 1.00 0.00 H new ATOM 0 HB3 PRO A 52 6.543 1.611 3.061 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.669 -0.747 3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.462 0.809 2.325 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.242 -1.394 0.926 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.781 0.213 0.478 1.00 0.00 H new ATOM 768 N ILE A 53 6.651 -2.315 4.115 1.00 0.00 N ATOM 769 CA ILE A 53 6.661 -3.413 5.074 1.00 0.00 C ATOM 770 C ILE A 53 7.981 -4.174 5.025 1.00 0.00 C ATOM 771 O ILE A 53 8.728 -4.207 6.004 1.00 0.00 O ATOM 772 CB ILE A 53 5.504 -4.396 4.815 1.00 0.00 C ATOM 773 CG1 ILE A 53 4.164 -3.657 4.828 1.00 0.00 C ATOM 774 CG2 ILE A 53 5.512 -5.508 5.854 1.00 0.00 C ATOM 775 CD1 ILE A 53 3.827 -3.041 6.167 1.00 0.00 C ATOM 0 H ILE A 53 5.828 -2.288 3.513 1.00 0.00 H new ATOM 0 HA ILE A 53 6.537 -2.970 6.062 1.00 0.00 H new ATOM 0 HB ILE A 53 5.640 -4.843 3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.183 -2.873 4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.372 -4.352 4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.689 -6.195 5.658 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.457 -6.049 5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.396 -5.077 6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.864 -2.534 6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.775 -3.823 6.925 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.598 -2.321 6.441 1.00 0.00 H new ATOM 787 N CYS A 54 8.264 -4.783 3.879 1.00 0.00 N ATOM 788 CA CYS A 54 9.495 -5.543 3.700 1.00 0.00 C ATOM 789 C CYS A 54 10.709 -4.719 4.121 1.00 0.00 C ATOM 790 O CYS A 54 11.693 -5.259 4.628 1.00 0.00 O ATOM 791 CB CYS A 54 9.643 -5.980 2.241 1.00 0.00 C ATOM 792 SG CYS A 54 8.350 -7.133 1.677 1.00 0.00 S ATOM 0 H CYS A 54 7.657 -4.765 3.060 1.00 0.00 H new ATOM 0 HA CYS A 54 9.441 -6.428 4.333 1.00 0.00 H new ATOM 0 HB2 CYS A 54 9.629 -5.095 1.604 1.00 0.00 H new ATOM 0 HB3 CYS A 54 10.617 -6.451 2.111 1.00 0.00 H new ATOM 797 N ARG A 55 10.632 -3.410 3.906 1.00 0.00 N ATOM 798 CA ARG A 55 11.724 -2.512 4.261 1.00 0.00 C ATOM 799 C ARG A 55 12.324 -2.893 5.611 1.00 0.00 C ATOM 800 O ARG A 55 13.538 -3.059 5.738 1.00 0.00 O ATOM 801 CB ARG A 55 11.229 -1.065 4.302 1.00 0.00 C ATOM 802 CG ARG A 55 12.343 -0.037 4.190 1.00 0.00 C ATOM 803 CD ARG A 55 11.985 1.254 4.911 1.00 0.00 C ATOM 804 NE ARG A 55 13.157 2.092 5.146 1.00 0.00 N ATOM 805 CZ ARG A 55 13.730 2.835 4.206 1.00 0.00 C ATOM 806 NH1 ARG A 55 13.242 2.842 2.973 1.00 0.00 N ATOM 807 NH2 ARG A 55 14.795 3.572 4.497 1.00 0.00 N ATOM 0 H ARG A 55 9.825 -2.948 3.488 1.00 0.00 H new ATOM 0 HA ARG A 55 12.498 -2.603 3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.519 -0.909 3.489 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.687 -0.901 5.234 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.261 -0.447 4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.540 0.175 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.255 1.808 4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.511 1.018 5.864 1.00 0.00 H new ATOM 0 HE ARG A 55 13.558 2.108 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.425 2.276 2.745 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.684 3.413 2.253 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.175 3.568 5.444 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.234 4.142 3.774 1.00 0.00 H new ATOM 821 N LEU A 56 11.467 -3.031 6.617 1.00 0.00 N ATOM 822 CA LEU A 56 11.912 -3.392 7.958 1.00 0.00 C ATOM 823 C LEU A 56 11.748 -4.889 8.201 1.00 0.00 C ATOM 824 O LEU A 56 12.616 -5.529 8.795 1.00 0.00 O ATOM 825 CB LEU A 56 11.127 -2.605 9.008 1.00 0.00 C ATOM 826 CG LEU A 56 9.606 -2.608 8.849 1.00 0.00 C ATOM 827 CD1 LEU A 56 8.929 -2.372 10.191 1.00 0.00 C ATOM 828 CD2 LEU A 56 9.172 -1.556 7.839 1.00 0.00 C ATOM 0 H LEU A 56 10.460 -2.898 6.529 1.00 0.00 H new ATOM 0 HA LEU A 56 12.970 -3.142 8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.370 -3.007 9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.472 -1.571 8.992 1.00 0.00 H new ATOM 0 HG LEU A 56 9.301 -3.586 8.477 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.847 -2.377 10.059 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.213 -3.162 10.886 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.241 -1.407 10.591 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.087 -1.573 7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.489 -0.571 8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.629 -1.769 6.872 1.00 0.00 H new ATOM 840 N GLN A 57 10.632 -5.440 7.736 1.00 0.00 N ATOM 841 CA GLN A 57 10.355 -6.862 7.902 1.00 0.00 C ATOM 842 C GLN A 57 10.776 -7.340 9.288 1.00 0.00 C ATOM 843 O GLN A 57 11.447 -8.362 9.425 1.00 0.00 O ATOM 844 CB GLN A 57 11.082 -7.673 6.828 1.00 0.00 C ATOM 845 CG GLN A 57 10.505 -9.064 6.621 1.00 0.00 C ATOM 846 CD GLN A 57 11.351 -9.916 5.696 1.00 0.00 C ATOM 847 OE1 GLN A 57 12.267 -10.611 6.137 1.00 0.00 O ATOM 848 NE2 GLN A 57 11.049 -9.865 4.403 1.00 0.00 N ATOM 0 H GLN A 57 9.905 -4.924 7.241 1.00 0.00 H new ATOM 0 HA GLN A 57 9.281 -7.012 7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 57 11.043 -7.128 5.885 1.00 0.00 H new ATOM 0 HB3 GLN A 57 12.133 -7.762 7.101 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.414 -9.563 7.586 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.499 -8.978 6.211 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.281 -9.275 4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.585 -10.416 3.732 1.00 0.00 H new ATOM 857 N MET A 58 10.376 -6.594 10.312 1.00 0.00 N ATOM 858 CA MET A 58 10.711 -6.942 11.688 1.00 0.00 C ATOM 859 C MET A 58 9.925 -8.167 12.145 1.00 0.00 C ATOM 860 O MET A 58 8.706 -8.234 11.978 1.00 0.00 O ATOM 861 CB MET A 58 10.427 -5.762 12.620 1.00 0.00 C ATOM 862 CG MET A 58 10.876 -5.997 14.053 1.00 0.00 C ATOM 863 SD MET A 58 10.884 -4.485 15.035 1.00 0.00 S ATOM 864 CE MET A 58 9.152 -4.358 15.473 1.00 0.00 C ATOM 0 H MET A 58 9.820 -5.745 10.215 1.00 0.00 H new ATOM 0 HA MET A 58 11.774 -7.178 11.728 1.00 0.00 H new ATOM 0 HB2 MET A 58 10.927 -4.875 12.232 1.00 0.00 H new ATOM 0 HB3 MET A 58 9.357 -5.553 12.613 1.00 0.00 H new ATOM 0 HG2 MET A 58 10.215 -6.726 14.522 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.877 -6.429 14.050 1.00 0.00 H new ATOM 0 HE1 MET A 58 8.995 -3.469 16.084 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.552 -4.286 14.566 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.853 -5.242 16.036 1.00 0.00 H new ATOM 874 N THR A 59 10.629 -9.135 12.723 1.00 0.00 N ATOM 875 CA THR A 59 9.997 -10.358 13.203 1.00 0.00 C ATOM 876 C THR A 59 8.868 -10.047 14.178 1.00 0.00 C ATOM 877 O THR A 59 9.096 -9.488 15.250 1.00 0.00 O ATOM 878 CB THR A 59 11.017 -11.283 13.894 1.00 0.00 C ATOM 879 OG1 THR A 59 10.377 -12.496 14.306 1.00 0.00 O ATOM 880 CG2 THR A 59 11.639 -10.597 15.101 1.00 0.00 C ATOM 0 H THR A 59 11.638 -9.096 12.870 1.00 0.00 H new ATOM 0 HA THR A 59 9.589 -10.867 12.330 1.00 0.00 H new ATOM 0 HB THR A 59 11.807 -11.514 13.180 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.032 -13.079 14.743 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.356 -11.269 15.572 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.150 -9.689 14.780 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.858 -10.340 15.816 1.00 0.00 H new ATOM 888 N GLY A 60 7.647 -10.414 13.799 1.00 0.00 N ATOM 889 CA GLY A 60 6.500 -10.166 14.652 1.00 0.00 C ATOM 890 C GLY A 60 5.199 -10.628 14.024 1.00 0.00 C ATOM 891 O GLY A 60 4.601 -11.607 14.469 1.00 0.00 O ATOM 0 H GLY A 60 7.432 -10.878 12.917 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.642 -10.677 15.604 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.436 -9.100 14.869 1.00 0.00 H new ATOM 895 N ALA A 61 4.761 -9.921 12.988 1.00 0.00 N ATOM 896 CA ALA A 61 3.524 -10.264 12.298 1.00 0.00 C ATOM 897 C ALA A 61 3.473 -11.753 11.970 1.00 0.00 C ATOM 898 O ALA A 61 4.478 -12.455 12.071 1.00 0.00 O ATOM 899 CB ALA A 61 3.380 -9.437 11.029 1.00 0.00 C ATOM 0 H ALA A 61 5.244 -9.107 12.608 1.00 0.00 H new ATOM 0 HA ALA A 61 2.691 -10.036 12.963 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.452 -9.704 10.524 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.362 -8.378 11.285 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.223 -9.636 10.367 1.00 0.00 H new ATOM 905 N ASN A 62 2.295 -12.227 11.578 1.00 0.00 N ATOM 906 CA ASN A 62 2.113 -13.634 11.237 1.00 0.00 C ATOM 907 C ASN A 62 2.479 -13.891 9.778 1.00 0.00 C ATOM 908 O ASN A 62 2.560 -12.962 8.975 1.00 0.00 O ATOM 909 CB ASN A 62 0.666 -14.059 11.494 1.00 0.00 C ATOM 910 CG ASN A 62 0.517 -15.565 11.601 1.00 0.00 C ATOM 911 OD1 ASN A 62 0.270 -16.248 10.607 1.00 0.00 O ATOM 912 ND2 ASN A 62 0.666 -16.089 12.812 1.00 0.00 N ATOM 0 H ASN A 62 1.453 -11.659 11.489 1.00 0.00 H new ATOM 0 HA ASN A 62 2.776 -14.225 11.869 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.312 -13.595 12.415 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.033 -13.690 10.687 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.576 -17.096 12.946 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.870 -15.484 13.608 1.00 0.00 H new ATOM 919 N GLU A 63 2.698 -15.159 9.443 1.00 0.00 N ATOM 920 CA GLU A 63 3.055 -15.538 8.081 1.00 0.00 C ATOM 921 C GLU A 63 1.886 -15.308 7.128 1.00 0.00 C ATOM 922 O GLU A 63 1.967 -14.483 6.218 1.00 0.00 O ATOM 923 CB GLU A 63 3.486 -17.005 8.033 1.00 0.00 C ATOM 924 CG GLU A 63 4.165 -17.398 6.732 1.00 0.00 C ATOM 925 CD GLU A 63 4.505 -18.874 6.674 1.00 0.00 C ATOM 926 OE1 GLU A 63 3.578 -19.689 6.486 1.00 0.00 O ATOM 927 OE2 GLU A 63 5.698 -19.215 6.815 1.00 0.00 O ATOM 0 H GLU A 63 2.634 -15.940 10.096 1.00 0.00 H new ATOM 0 HA GLU A 63 3.888 -14.911 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.166 -17.202 8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.610 -17.637 8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.513 -17.146 5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.077 -16.814 6.612 1.00 0.00 H new ATOM 934 N SER A 64 0.800 -16.043 7.344 1.00 0.00 N ATOM 935 CA SER A 64 -0.384 -15.923 6.502 1.00 0.00 C ATOM 936 C SER A 64 -0.007 -15.962 5.025 1.00 0.00 C ATOM 937 O SER A 64 -0.502 -15.168 4.225 1.00 0.00 O ATOM 938 CB SER A 64 -1.129 -14.624 6.816 1.00 0.00 C ATOM 939 OG SER A 64 -2.050 -14.807 7.877 1.00 0.00 O ATOM 0 H SER A 64 0.716 -16.728 8.095 1.00 0.00 H new ATOM 0 HA SER A 64 -1.038 -16.769 6.714 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.413 -13.846 7.082 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.658 -14.280 5.927 1.00 0.00 H new ATOM 0 HG SER A 64 -2.512 -13.962 8.059 1.00 0.00 H new ATOM 945 N SER A 65 0.875 -16.891 4.670 1.00 0.00 N ATOM 946 CA SER A 65 1.323 -17.033 3.289 1.00 0.00 C ATOM 947 C SER A 65 0.511 -18.100 2.561 1.00 0.00 C ATOM 948 O SER A 65 -0.328 -18.773 3.159 1.00 0.00 O ATOM 949 CB SER A 65 2.810 -17.390 3.248 1.00 0.00 C ATOM 950 OG SER A 65 3.615 -16.249 3.485 1.00 0.00 O ATOM 0 H SER A 65 1.294 -17.557 5.320 1.00 0.00 H new ATOM 0 HA SER A 65 1.171 -16.079 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.025 -18.152 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.058 -17.818 2.277 1.00 0.00 H new ATOM 0 HG SER A 65 4.561 -16.504 3.455 1.00 0.00 H new ATOM 956 N GLY A 66 0.768 -18.248 1.265 1.00 0.00 N ATOM 957 CA GLY A 66 0.053 -19.234 0.476 1.00 0.00 C ATOM 958 C GLY A 66 0.981 -20.078 -0.376 1.00 0.00 C ATOM 959 O GLY A 66 1.275 -19.747 -1.525 1.00 0.00 O ATOM 0 H GLY A 66 1.458 -17.703 0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.516 -19.884 1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.666 -18.728 -0.168 1.00 0.00 H new ATOM 963 N PRO A 67 1.460 -21.195 0.191 1.00 0.00 N ATOM 964 CA PRO A 67 2.368 -22.110 -0.506 1.00 0.00 C ATOM 965 C PRO A 67 1.676 -22.864 -1.637 1.00 0.00 C ATOM 966 O PRO A 67 2.280 -23.714 -2.290 1.00 0.00 O ATOM 967 CB PRO A 67 2.807 -23.080 0.593 1.00 0.00 C ATOM 968 CG PRO A 67 1.699 -23.050 1.589 1.00 0.00 C ATOM 969 CD PRO A 67 1.151 -21.650 1.557 1.00 0.00 C ATOM 0 HA PRO A 67 3.194 -21.581 -0.981 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.957 -24.085 0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.751 -22.770 1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.927 -23.777 1.336 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.062 -23.304 2.585 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.079 -21.633 1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.623 -21.016 2.308 1.00 0.00 H new ATOM 977 N SER A 68 0.405 -22.546 -1.863 1.00 0.00 N ATOM 978 CA SER A 68 -0.370 -23.196 -2.913 1.00 0.00 C ATOM 979 C SER A 68 0.508 -23.514 -4.119 1.00 0.00 C ATOM 980 O SER A 68 1.321 -22.692 -4.542 1.00 0.00 O ATOM 981 CB SER A 68 -1.539 -22.305 -3.338 1.00 0.00 C ATOM 982 OG SER A 68 -1.079 -21.050 -3.808 1.00 0.00 O ATOM 0 H SER A 68 -0.109 -21.842 -1.333 1.00 0.00 H new ATOM 0 HA SER A 68 -0.762 -24.132 -2.515 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.113 -22.802 -4.120 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.212 -22.156 -2.494 1.00 0.00 H new ATOM 0 HG SER A 68 -1.845 -20.500 -4.075 1.00 0.00 H new ATOM 988 N SER A 69 0.337 -24.712 -4.669 1.00 0.00 N ATOM 989 CA SER A 69 1.116 -25.141 -5.824 1.00 0.00 C ATOM 990 C SER A 69 0.534 -24.570 -7.114 1.00 0.00 C ATOM 991 O SER A 69 -0.621 -24.823 -7.452 1.00 0.00 O ATOM 992 CB SER A 69 1.155 -26.668 -5.901 1.00 0.00 C ATOM 993 OG SER A 69 2.222 -27.191 -5.130 1.00 0.00 O ATOM 0 H SER A 69 -0.334 -25.403 -4.333 1.00 0.00 H new ATOM 0 HA SER A 69 2.132 -24.764 -5.706 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.210 -27.077 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.266 -26.980 -6.939 1.00 0.00 H new ATOM 0 HG SER A 69 2.224 -28.169 -5.195 1.00 0.00 H new ATOM 999 N GLY A 70 1.345 -23.797 -7.830 1.00 0.00 N ATOM 1000 CA GLY A 70 0.895 -23.201 -9.075 1.00 0.00 C ATOM 1001 C GLY A 70 -0.197 -22.172 -8.862 1.00 0.00 C ATOM 1002 O GLY A 70 0.020 -20.998 -9.161 1.00 0.00 O ATOM 0 H GLY A 70 2.306 -23.573 -7.570 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.741 -22.730 -9.576 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.528 -23.985 -9.738 1.00 0.00 H new TER 1006 GLY A 70 HETATM 1007 ZN ZN A 201 -4.742 0.132 6.674 1.00 0.00 ZN HETATM 1008 ZN ZN A 401 6.297 -6.282 1.242 1.00 0.00 ZN