USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 716 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 69 HIS : no HE2:sc= 0.18 K(o=-0.18,f=-2.1) USER MOD Set 1.2: A 106 HIS : no HD1:sc= -0.355 K(o=-0.18,f=-1) USER MOD Set 2.1: A 25 HIS : no HE2:sc= -2.63! C(o=-3.7!,f=-10!) USER MOD Set 2.2: A 83 HIS : no HE2:sc= -1.08! C(o=-3.7!,f=-7.1!) USER MOD Set 3.1: A 35 HIS : no HE2:sc= -2.48 K(o=-5.5,f=-7.1!) USER MOD Set 3.2: A 52 HIS : no HD1:sc= 0 X(o=-5.5,f=-5.5) USER MOD Set 3.3: A 76 HIS :FLIP no HD1:sc= -3.04 F(o=-7.8,f=-5.5) USER MOD Set 4.1: A 22 HIS : no HD1:sc= -3.99! C(o=-4!,f=-6!) USER MOD Set 4.2: A 34 HIS : no HE2:sc= 0 X(o=-4,f=-4) USER MOD Single : A 7 LYS NZ :NH3+ -127:sc= -0.021 (180deg=-0.0937) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.545 USER MOD Single : A 15 GLN : amide:sc= -0.0542 X(o=-0.054,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.0798 USER MOD Single : A 32 THR OG1 : rot -140:sc= -1.24 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -170:sc= 0 USER MOD Single : A 43 TYR OH : rot -7:sc= 0.204 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 178:sc= -1.34 USER MOD Single : A 48 SER OG : rot -150:sc= -0.422 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 72:sc= 0.22 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -170:sc= -0.393 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 161:sc= -0.0125 (180deg=-0.351) USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00529 USER MOD Single : A 78 SER OG : rot 138:sc= -4.17! USER MOD Single : A 79 CYS SG : rot 180:sc= 0.0268 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 70:sc= 1.22 USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -150:sc= 1.19 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ALA A 3 4.149 9.579 -15.620 1.00 1.00 N ATOM 26 CA ALA A 3 2.732 9.383 -15.878 1.00 1.00 C ATOM 27 C ALA A 3 2.270 8.088 -15.205 1.00 1.00 C ATOM 28 O ALA A 3 2.889 7.039 -15.379 1.00 1.00 O ATOM 29 CB ALA A 3 2.484 9.376 -17.388 1.00 1.00 C ATOM 0 HA ALA A 3 2.148 10.201 -15.456 1.00 1.00 H new ATOM 0 HB1 ALA A 3 1.421 9.229 -17.582 1.00 1.00 H new ATOM 0 HB2 ALA A 3 2.802 10.328 -17.813 1.00 1.00 H new ATOM 0 HB3 ALA A 3 3.052 8.566 -17.846 1.00 1.00 H new ATOM 35 N VAL A 4 1.188 8.205 -14.451 1.00 1.00 N ATOM 36 CA VAL A 4 0.636 7.057 -13.751 1.00 1.00 C ATOM 37 C VAL A 4 0.649 5.843 -14.682 1.00 1.00 C ATOM 38 O VAL A 4 0.171 5.883 -15.813 1.00 1.00 O ATOM 39 CB VAL A 4 -0.761 7.389 -13.221 1.00 1.00 C ATOM 40 CG1 VAL A 4 -1.723 7.700 -14.370 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.299 6.255 -12.347 1.00 1.00 C ATOM 0 H VAL A 4 0.678 9.077 -14.309 1.00 1.00 H new ATOM 0 HA VAL A 4 1.248 6.808 -12.884 1.00 1.00 H new ATOM 0 HB VAL A 4 -0.681 8.281 -12.600 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -2.709 7.933 -13.967 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -1.351 8.555 -14.935 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -1.796 6.834 -15.028 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.293 6.516 -11.983 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.357 5.339 -12.935 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -0.631 6.101 -11.499 1.00 1.00 H new ATOM 51 N PRO A 5 1.216 4.747 -14.172 1.00 1.00 N ATOM 52 CA PRO A 5 1.336 3.488 -14.875 1.00 1.00 C ATOM 53 C PRO A 5 -0.051 2.935 -15.171 1.00 1.00 C ATOM 54 O PRO A 5 -0.918 3.010 -14.302 1.00 1.00 O ATOM 55 CB PRO A 5 2.097 2.575 -13.917 1.00 1.00 C ATOM 56 CG PRO A 5 1.937 3.171 -12.572 1.00 1.00 C ATOM 57 CD PRO A 5 1.788 4.665 -12.846 1.00 1.00 C ATOM 0 HA PRO A 5 1.851 3.583 -15.831 1.00 1.00 H new ATOM 0 HB2 PRO A 5 1.698 1.561 -13.944 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.150 2.511 -14.193 1.00 1.00 H new ATOM 0 HG2 PRO A 5 1.063 2.770 -12.059 1.00 1.00 H new ATOM 0 HG3 PRO A 5 2.800 2.965 -11.939 1.00 1.00 H new ATOM 0 HD2 PRO A 5 1.142 5.139 -12.107 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.751 5.173 -12.800 1.00 1.00 H new ATOM 65 N ASP A 6 -0.234 2.400 -16.370 1.00 1.00 N ATOM 66 CA ASP A 6 -1.520 1.845 -16.753 1.00 1.00 C ATOM 67 C ASP A 6 -1.520 0.338 -16.487 1.00 1.00 C ATOM 68 O ASP A 6 -2.262 -0.408 -17.125 1.00 1.00 O ATOM 69 CB ASP A 6 -1.792 2.063 -18.243 1.00 1.00 C ATOM 70 CG ASP A 6 -1.034 1.123 -19.182 1.00 1.00 C ATOM 71 OD1 ASP A 6 -1.391 -0.055 -19.332 1.00 1.00 O ATOM 72 OD2 ASP A 6 -0.023 1.652 -19.784 1.00 1.00 O ATOM 0 H ASP A 6 0.488 2.340 -17.088 1.00 1.00 H new ATOM 0 HA ASP A 6 -2.292 2.346 -16.169 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -2.861 1.948 -18.423 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -1.535 3.091 -18.497 1.00 1.00 H new ATOM 78 N LYS A 7 -0.681 -0.064 -15.545 1.00 1.00 N ATOM 79 CA LYS A 7 -0.575 -1.468 -15.187 1.00 1.00 C ATOM 80 C LYS A 7 -0.121 -1.586 -13.731 1.00 1.00 C ATOM 81 O LYS A 7 0.639 -0.769 -13.216 1.00 1.00 O ATOM 82 CB LYS A 7 0.331 -2.206 -16.175 1.00 1.00 C ATOM 83 CG LYS A 7 -0.390 -3.407 -16.789 1.00 1.00 C ATOM 84 CD LYS A 7 0.281 -4.719 -16.377 1.00 1.00 C ATOM 85 CE LYS A 7 1.474 -5.032 -17.283 1.00 1.00 C ATOM 86 NZ LYS A 7 2.746 -4.742 -16.584 1.00 1.00 N ATOM 0 H LYS A 7 -0.068 0.558 -15.018 1.00 1.00 H new ATOM 0 HA LYS A 7 -1.548 -1.954 -15.258 1.00 1.00 H new ATOM 0 HB2 LYS A 7 0.646 -1.524 -16.965 1.00 1.00 H new ATOM 0 HB3 LYS A 7 1.234 -2.541 -15.665 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -1.432 -3.412 -16.470 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -0.389 -3.320 -17.875 1.00 1.00 H new ATOM 0 HD2 LYS A 7 0.614 -4.652 -15.341 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -0.442 -5.533 -16.427 1.00 1.00 H new ATOM 0 HE2 LYS A 7 1.447 -6.080 -17.581 1.00 1.00 H new ATOM 0 HE3 LYS A 7 1.410 -4.439 -18.196 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 3.330 -4.113 -17.172 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 2.545 -4.278 -15.675 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 3.259 -5.631 -16.413 1.00 1.00 H new ATOM 99 N PRO A 8 -0.613 -2.637 -13.070 1.00 1.00 N ATOM 100 CA PRO A 8 -0.315 -2.943 -11.687 1.00 1.00 C ATOM 101 C PRO A 8 1.132 -3.397 -11.564 1.00 1.00 C ATOM 102 O PRO A 8 1.573 -4.201 -12.384 1.00 1.00 O ATOM 103 CB PRO A 8 -1.277 -4.072 -11.321 1.00 1.00 C ATOM 104 CG PRO A 8 -1.571 -4.745 -12.617 1.00 1.00 C ATOM 105 CD PRO A 8 -1.509 -3.617 -13.645 1.00 1.00 C ATOM 0 HA PRO A 8 -0.435 -2.084 -11.027 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.826 -4.763 -10.608 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -2.186 -3.685 -10.859 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -0.841 -5.524 -12.836 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -2.552 -5.221 -12.606 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -1.137 -3.977 -14.604 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -2.496 -3.192 -13.825 1.00 1.00 H new ATOM 113 N VAL A 9 1.832 -2.884 -10.564 1.00 1.00 N ATOM 114 CA VAL A 9 3.224 -3.251 -10.359 1.00 1.00 C ATOM 115 C VAL A 9 3.322 -4.220 -9.179 1.00 1.00 C ATOM 116 O VAL A 9 2.577 -4.099 -8.207 1.00 1.00 O ATOM 117 CB VAL A 9 4.074 -1.993 -10.172 1.00 1.00 C ATOM 118 CG1 VAL A 9 4.433 -1.369 -11.522 1.00 1.00 C ATOM 119 CG2 VAL A 9 3.365 -0.980 -9.271 1.00 1.00 C ATOM 0 H VAL A 9 1.462 -2.217 -9.886 1.00 1.00 H new ATOM 0 HA VAL A 9 3.617 -3.765 -11.236 1.00 1.00 H new ATOM 0 HB VAL A 9 5.002 -2.286 -9.680 1.00 1.00 H new ATOM 0 HG11 VAL A 9 5.037 -0.476 -11.361 1.00 1.00 H new ATOM 0 HG12 VAL A 9 4.998 -2.087 -12.116 1.00 1.00 H new ATOM 0 HG13 VAL A 9 3.520 -1.098 -12.052 1.00 1.00 H new ATOM 0 HG21 VAL A 9 3.991 -0.095 -9.155 1.00 1.00 H new ATOM 0 HG22 VAL A 9 2.414 -0.695 -9.722 1.00 1.00 H new ATOM 0 HG23 VAL A 9 3.184 -1.427 -8.294 1.00 1.00 H new ATOM 129 N GLU A 10 4.248 -5.160 -9.302 1.00 1.00 N ATOM 130 CA GLU A 10 4.454 -6.149 -8.257 1.00 1.00 C ATOM 131 C GLU A 10 5.174 -5.518 -7.064 1.00 1.00 C ATOM 132 O GLU A 10 6.078 -4.702 -7.240 1.00 1.00 O ATOM 133 CB GLU A 10 5.229 -7.355 -8.790 1.00 1.00 C ATOM 134 CG GLU A 10 4.284 -8.377 -9.427 1.00 1.00 C ATOM 135 CD GLU A 10 4.273 -8.238 -10.950 1.00 1.00 C ATOM 136 OE1 GLU A 10 4.133 -7.121 -11.470 1.00 1.00 O ATOM 137 OE2 GLU A 10 4.417 -9.344 -11.599 1.00 1.00 O ATOM 0 H GLU A 10 4.864 -5.258 -10.109 1.00 1.00 H new ATOM 0 HA GLU A 10 3.479 -6.504 -7.922 1.00 1.00 H new ATOM 0 HB2 GLU A 10 5.962 -7.024 -9.526 1.00 1.00 H new ATOM 0 HB3 GLU A 10 5.783 -7.824 -7.977 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.594 -9.385 -9.152 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.275 -8.237 -9.038 1.00 1.00 H new ATOM 145 N VAL A 11 4.747 -5.920 -5.876 1.00 1.00 N ATOM 146 CA VAL A 11 5.340 -5.405 -4.653 1.00 1.00 C ATOM 147 C VAL A 11 5.907 -6.568 -3.837 1.00 1.00 C ATOM 148 O VAL A 11 5.382 -6.899 -2.775 1.00 1.00 O ATOM 149 CB VAL A 11 4.310 -4.578 -3.881 1.00 1.00 C ATOM 150 CG1 VAL A 11 4.965 -3.842 -2.711 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.586 -3.600 -4.808 1.00 1.00 C ATOM 0 H VAL A 11 3.997 -6.597 -5.734 1.00 1.00 H new ATOM 0 HA VAL A 11 6.169 -4.735 -4.882 1.00 1.00 H new ATOM 0 HB VAL A 11 3.568 -5.264 -3.472 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.211 -3.262 -2.179 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.413 -4.566 -2.031 1.00 1.00 H new ATOM 0 HG13 VAL A 11 5.738 -3.173 -3.089 1.00 1.00 H new ATOM 0 HG21 VAL A 11 2.860 -3.025 -4.234 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.311 -2.922 -5.259 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.071 -4.155 -5.592 1.00 1.00 H new ATOM 161 N LYS A 12 6.971 -7.155 -4.364 1.00 1.00 N ATOM 162 CA LYS A 12 7.615 -8.274 -3.697 1.00 1.00 C ATOM 163 C LYS A 12 7.730 -7.973 -2.201 1.00 1.00 C ATOM 164 O LYS A 12 8.248 -6.927 -1.813 1.00 1.00 O ATOM 165 CB LYS A 12 8.954 -8.597 -4.364 1.00 1.00 C ATOM 166 CG LYS A 12 8.782 -8.793 -5.871 1.00 1.00 C ATOM 167 CD LYS A 12 9.967 -9.558 -6.464 1.00 1.00 C ATOM 168 CE LYS A 12 9.932 -9.525 -7.993 1.00 1.00 C ATOM 169 NZ LYS A 12 10.783 -10.598 -8.554 1.00 1.00 N ATOM 0 H LYS A 12 7.403 -6.877 -5.245 1.00 1.00 H new ATOM 0 HA LYS A 12 7.010 -9.175 -3.796 1.00 1.00 H new ATOM 0 HB2 LYS A 12 9.662 -7.789 -4.177 1.00 1.00 H new ATOM 0 HB3 LYS A 12 9.376 -9.499 -3.922 1.00 1.00 H new ATOM 0 HG2 LYS A 12 7.858 -9.337 -6.067 1.00 1.00 H new ATOM 0 HG3 LYS A 12 8.690 -7.823 -6.359 1.00 1.00 H new ATOM 0 HD2 LYS A 12 10.900 -9.122 -6.109 1.00 1.00 H new ATOM 0 HD3 LYS A 12 9.947 -10.592 -6.119 1.00 1.00 H new ATOM 0 HE2 LYS A 12 8.906 -9.646 -8.342 1.00 1.00 H new ATOM 0 HE3 LYS A 12 10.277 -8.555 -8.350 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 10.748 -10.561 -9.593 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 11.764 -10.465 -8.236 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 10.436 -11.523 -8.228 1.00 1.00 H new ATOM 182 N GLY A 13 7.240 -8.909 -1.402 1.00 1.00 N ATOM 183 CA GLY A 13 7.281 -8.757 0.042 1.00 1.00 C ATOM 184 C GLY A 13 8.190 -9.811 0.679 1.00 1.00 C ATOM 185 O GLY A 13 9.120 -10.301 0.040 1.00 1.00 O ATOM 0 H GLY A 13 6.812 -9.776 -1.728 1.00 1.00 H new ATOM 0 HA2 GLY A 13 7.641 -7.760 0.296 1.00 1.00 H new ATOM 0 HA3 GLY A 13 6.274 -8.846 0.449 1.00 1.00 H new ATOM 189 N SER A 14 7.890 -10.127 1.930 1.00 1.00 N ATOM 190 CA SER A 14 8.669 -11.113 2.659 1.00 1.00 C ATOM 191 C SER A 14 8.703 -12.432 1.884 1.00 1.00 C ATOM 192 O SER A 14 9.737 -12.803 1.330 1.00 1.00 O ATOM 193 CB SER A 14 8.100 -11.337 4.062 1.00 1.00 C ATOM 194 OG SER A 14 8.007 -12.722 4.385 1.00 1.00 O ATOM 0 H SER A 14 7.119 -9.718 2.457 1.00 1.00 H new ATOM 0 HA SER A 14 9.686 -10.735 2.764 1.00 1.00 H new ATOM 0 HB2 SER A 14 8.733 -10.836 4.794 1.00 1.00 H new ATOM 0 HB3 SER A 14 7.112 -10.882 4.130 1.00 1.00 H new ATOM 0 HG SER A 14 7.641 -12.823 5.289 1.00 1.00 H new ATOM 200 N GLN A 15 7.561 -13.103 1.869 1.00 1.00 N ATOM 201 CA GLN A 15 7.448 -14.372 1.171 1.00 1.00 C ATOM 202 C GLN A 15 6.095 -14.468 0.463 1.00 1.00 C ATOM 203 O GLN A 15 5.440 -15.509 0.507 1.00 1.00 O ATOM 204 CB GLN A 15 7.649 -15.546 2.131 1.00 1.00 C ATOM 205 CG GLN A 15 8.804 -16.438 1.670 1.00 1.00 C ATOM 206 CD GLN A 15 8.665 -17.852 2.239 1.00 1.00 C ATOM 207 OE1 GLN A 15 8.745 -18.843 1.533 1.00 1.00 O ATOM 208 NE2 GLN A 15 8.453 -17.888 3.552 1.00 1.00 N ATOM 0 H GLN A 15 6.706 -12.792 2.329 1.00 1.00 H new ATOM 0 HA GLN A 15 8.235 -14.423 0.419 1.00 1.00 H new ATOM 0 HB2 GLN A 15 7.853 -15.170 3.134 1.00 1.00 H new ATOM 0 HB3 GLN A 15 6.733 -16.133 2.191 1.00 1.00 H new ATOM 0 HG2 GLN A 15 8.823 -16.481 0.581 1.00 1.00 H new ATOM 0 HG3 GLN A 15 9.752 -16.005 1.989 1.00 1.00 H new ATOM 0 HE21 GLN A 15 8.397 -17.019 4.084 1.00 1.00 H new ATOM 0 HE22 GLN A 15 8.347 -18.784 4.027 1.00 1.00 H new ATOM 217 N LYS A 16 5.716 -13.370 -0.174 1.00 1.00 N ATOM 218 CA LYS A 16 4.453 -13.318 -0.890 1.00 1.00 C ATOM 219 C LYS A 16 4.478 -12.148 -1.876 1.00 1.00 C ATOM 220 O LYS A 16 4.948 -11.061 -1.543 1.00 1.00 O ATOM 221 CB LYS A 16 3.281 -13.269 0.092 1.00 1.00 C ATOM 222 CG LYS A 16 2.524 -14.598 0.109 1.00 1.00 C ATOM 223 CD LYS A 16 1.220 -14.476 0.901 1.00 1.00 C ATOM 224 CE LYS A 16 0.067 -15.162 0.167 1.00 1.00 C ATOM 225 NZ LYS A 16 -0.866 -15.785 1.133 1.00 1.00 N ATOM 0 H LYS A 16 6.262 -12.509 -0.209 1.00 1.00 H new ATOM 0 HA LYS A 16 4.310 -14.226 -1.475 1.00 1.00 H new ATOM 0 HB2 LYS A 16 3.650 -13.044 1.093 1.00 1.00 H new ATOM 0 HB3 LYS A 16 2.602 -12.463 -0.187 1.00 1.00 H new ATOM 0 HG2 LYS A 16 2.306 -14.909 -0.912 1.00 1.00 H new ATOM 0 HG3 LYS A 16 3.151 -15.372 0.551 1.00 1.00 H new ATOM 0 HD2 LYS A 16 1.346 -14.924 1.887 1.00 1.00 H new ATOM 0 HD3 LYS A 16 0.982 -13.424 1.057 1.00 1.00 H new ATOM 0 HE2 LYS A 16 -0.466 -14.434 -0.445 1.00 1.00 H new ATOM 0 HE3 LYS A 16 0.459 -15.921 -0.510 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -1.643 -16.246 0.618 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 -0.357 -16.494 1.699 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 -1.254 -15.053 1.762 1.00 1.00 H new ATOM 238 N THR A 17 3.968 -12.410 -3.070 1.00 1.00 N ATOM 239 CA THR A 17 3.926 -11.393 -4.106 1.00 1.00 C ATOM 240 C THR A 17 2.534 -10.763 -4.179 1.00 1.00 C ATOM 241 O THR A 17 1.530 -11.471 -4.230 1.00 1.00 O ATOM 242 CB THR A 17 4.371 -12.038 -5.420 1.00 1.00 C ATOM 243 OG1 THR A 17 5.655 -12.580 -5.124 1.00 1.00 O ATOM 244 CG2 THR A 17 4.647 -11.005 -6.516 1.00 1.00 C ATOM 0 H THR A 17 3.580 -13.313 -3.343 1.00 1.00 H new ATOM 0 HA THR A 17 4.608 -10.573 -3.883 1.00 1.00 H new ATOM 0 HB THR A 17 3.603 -12.733 -5.761 1.00 1.00 H new ATOM 0 HG1 THR A 17 6.017 -13.019 -5.922 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.959 -11.516 -7.427 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.740 -10.433 -6.713 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.438 -10.330 -6.189 1.00 1.00 H new ATOM 252 N VAL A 18 2.518 -9.438 -4.183 1.00 1.00 N ATOM 253 CA VAL A 18 1.266 -8.704 -4.249 1.00 1.00 C ATOM 254 C VAL A 18 1.383 -7.597 -5.298 1.00 1.00 C ATOM 255 O VAL A 18 2.308 -6.788 -5.251 1.00 1.00 O ATOM 256 CB VAL A 18 0.895 -8.176 -2.862 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.478 -7.501 -2.881 1.00 1.00 C ATOM 258 CG2 VAL A 18 0.940 -9.295 -1.819 1.00 1.00 C ATOM 0 H VAL A 18 3.353 -8.854 -4.142 1.00 1.00 H new ATOM 0 HA VAL A 18 0.454 -9.362 -4.560 1.00 1.00 H new ATOM 0 HB VAL A 18 1.634 -7.425 -2.581 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.717 -7.135 -1.883 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.463 -6.665 -3.580 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.233 -8.222 -3.194 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.672 -8.893 -0.842 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.234 -10.078 -2.095 1.00 1.00 H new ATOM 0 HG23 VAL A 18 1.946 -9.712 -1.776 1.00 1.00 H new ATOM 268 N MET A 19 0.432 -7.597 -6.221 1.00 1.00 N ATOM 269 CA MET A 19 0.417 -6.602 -7.280 1.00 1.00 C ATOM 270 C MET A 19 -0.641 -5.530 -7.010 1.00 1.00 C ATOM 271 O MET A 19 -1.795 -5.849 -6.728 1.00 1.00 O ATOM 272 CB MET A 19 0.123 -7.285 -8.617 1.00 1.00 C ATOM 273 CG MET A 19 -1.133 -8.153 -8.526 1.00 1.00 C ATOM 274 SD MET A 19 -2.132 -7.938 -9.990 1.00 1.00 S ATOM 275 CE MET A 19 -3.762 -8.028 -9.269 1.00 1.00 C ATOM 0 H MET A 19 -0.333 -8.270 -6.257 1.00 1.00 H new ATOM 0 HA MET A 19 1.394 -6.120 -7.315 1.00 1.00 H new ATOM 0 HB2 MET A 19 -0.007 -6.531 -9.393 1.00 1.00 H new ATOM 0 HB3 MET A 19 0.974 -7.900 -8.910 1.00 1.00 H new ATOM 0 HG2 MET A 19 -0.854 -9.201 -8.417 1.00 1.00 H new ATOM 0 HG3 MET A 19 -1.708 -7.883 -7.640 1.00 1.00 H new ATOM 0 HE1 MET A 19 -4.513 -7.912 -10.051 1.00 1.00 H new ATOM 0 HE2 MET A 19 -3.892 -8.995 -8.782 1.00 1.00 H new ATOM 0 HE3 MET A 19 -3.879 -7.233 -8.533 1.00 1.00 H new ATOM 285 N PHE A 20 -0.210 -4.281 -7.107 1.00 1.00 N ATOM 286 CA PHE A 20 -1.106 -3.160 -6.878 1.00 1.00 C ATOM 287 C PHE A 20 -1.378 -2.401 -8.177 1.00 1.00 C ATOM 288 O PHE A 20 -0.470 -1.939 -8.865 1.00 1.00 O ATOM 289 CB PHE A 20 -0.407 -2.224 -5.890 1.00 1.00 C ATOM 290 CG PHE A 20 -0.978 -0.805 -5.867 1.00 1.00 C ATOM 291 CD1 PHE A 20 -2.070 -0.523 -5.108 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.393 0.175 -6.608 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.600 0.794 -5.087 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.923 1.492 -6.587 1.00 1.00 C ATOM 295 CZ PHE A 20 -2.015 1.774 -5.827 1.00 1.00 C ATOM 0 H PHE A 20 0.748 -4.020 -7.341 1.00 1.00 H new ATOM 0 HA PHE A 20 -2.060 -3.519 -6.493 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.479 -2.650 -4.889 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.653 -2.174 -6.140 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.535 -1.301 -4.521 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.474 -0.049 -7.212 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.467 1.018 -4.484 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.459 2.270 -7.175 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.418 2.776 -5.811 1.00 1.00 H new ATOM 305 N PRO A 21 -2.667 -2.280 -8.501 1.00 1.00 N ATOM 306 CA PRO A 21 -3.152 -1.601 -9.684 1.00 1.00 C ATOM 307 C PRO A 21 -3.344 -0.122 -9.380 1.00 1.00 C ATOM 308 O PRO A 21 -3.837 0.210 -8.303 1.00 1.00 O ATOM 309 CB PRO A 21 -4.485 -2.273 -10.003 1.00 1.00 C ATOM 310 CG PRO A 21 -5.015 -2.512 -8.532 1.00 1.00 C ATOM 311 CD PRO A 21 -3.760 -2.811 -7.715 1.00 1.00 C ATOM 0 HA PRO A 21 -2.461 -1.666 -10.524 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -5.147 -1.634 -10.588 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.363 -3.202 -10.561 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.536 -1.634 -8.151 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.720 -3.343 -8.494 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.806 -2.339 -6.733 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.643 -3.882 -7.549 1.00 1.00 H new ATOM 319 N HIS A 22 -2.956 0.738 -10.322 1.00 1.00 N ATOM 320 CA HIS A 22 -3.077 2.184 -10.173 1.00 1.00 C ATOM 321 C HIS A 22 -4.461 2.644 -10.665 1.00 1.00 C ATOM 322 O HIS A 22 -5.019 3.603 -10.134 1.00 1.00 O ATOM 323 CB HIS A 22 -1.896 2.857 -10.887 1.00 1.00 C ATOM 324 CG HIS A 22 -0.655 3.108 -10.061 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.446 2.359 -10.170 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.380 4.056 -9.105 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.371 2.822 -9.315 1.00 1.00 C ATOM 328 NE2 HIS A 22 0.913 3.869 -8.632 1.00 1.00 N ATOM 0 H HIS A 22 -2.548 0.448 -11.211 1.00 1.00 H new ATOM 0 HA HIS A 22 -3.021 2.484 -9.127 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.617 2.238 -11.740 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.239 3.812 -11.285 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -1.062 4.825 -8.773 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.358 2.400 -9.196 1.00 1.00 H new ATOM 0 HE2 HIS A 22 1.402 4.412 -7.921 1.00 1.00 H new ATOM 336 N ALA A 23 -4.969 1.941 -11.667 1.00 1.00 N ATOM 337 CA ALA A 23 -6.269 2.269 -12.227 1.00 1.00 C ATOM 338 C ALA A 23 -7.277 2.454 -11.091 1.00 1.00 C ATOM 339 O ALA A 23 -7.951 3.476 -10.977 1.00 1.00 O ATOM 340 CB ALA A 23 -6.692 1.174 -13.209 1.00 1.00 C ATOM 0 H ALA A 23 -4.504 1.146 -12.105 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.223 3.206 -12.782 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.667 1.419 -13.630 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -5.958 1.102 -14.012 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.752 0.220 -12.686 1.00 1.00 H new ATOM 346 N PRO A 24 -7.365 1.428 -10.242 1.00 1.00 N ATOM 347 CA PRO A 24 -8.250 1.390 -9.097 1.00 1.00 C ATOM 348 C PRO A 24 -7.829 2.451 -8.092 1.00 1.00 C ATOM 349 O PRO A 24 -8.518 2.636 -7.090 1.00 1.00 O ATOM 350 CB PRO A 24 -8.079 -0.013 -8.517 1.00 1.00 C ATOM 351 CG PRO A 24 -7.437 -0.859 -9.665 1.00 1.00 C ATOM 352 CD PRO A 24 -6.588 0.212 -10.347 1.00 1.00 C ATOM 0 HA PRO A 24 -9.289 1.592 -9.356 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.440 0.002 -7.634 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -9.038 -0.431 -8.209 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.837 -1.687 -9.286 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -8.184 -1.287 -10.334 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.620 0.319 -9.858 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.393 -0.043 -11.389 1.00 1.00 H new ATOM 360 N HIS A 25 -6.714 3.128 -8.368 1.00 1.00 N ATOM 361 CA HIS A 25 -6.186 4.173 -7.498 1.00 1.00 C ATOM 362 C HIS A 25 -5.798 5.403 -8.339 1.00 1.00 C ATOM 363 O HIS A 25 -4.785 6.045 -8.065 1.00 1.00 O ATOM 364 CB HIS A 25 -5.036 3.591 -6.663 1.00 1.00 C ATOM 365 CG HIS A 25 -5.361 2.392 -5.802 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.234 1.136 -6.240 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.815 2.302 -4.508 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.595 0.296 -5.257 1.00 1.00 C ATOM 369 NE2 HIS A 25 -5.962 0.963 -4.165 1.00 1.00 N ATOM 0 H HIS A 25 -6.152 2.965 -9.204 1.00 1.00 H new ATOM 0 HA HIS A 25 -6.939 4.523 -6.792 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.229 3.314 -7.342 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.652 4.380 -6.016 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -4.915 0.861 -7.169 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -6.025 3.140 -3.860 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.589 -0.781 -5.341 1.00 1.00 H new ATOM 377 N GLU A 26 -6.622 5.691 -9.336 1.00 1.00 N ATOM 378 CA GLU A 26 -6.374 6.827 -10.208 1.00 1.00 C ATOM 379 C GLU A 26 -7.250 8.012 -9.797 1.00 1.00 C ATOM 380 O GLU A 26 -7.283 9.032 -10.484 1.00 1.00 O ATOM 381 CB GLU A 26 -6.607 6.455 -11.673 1.00 1.00 C ATOM 382 CG GLU A 26 -6.693 7.706 -12.549 1.00 1.00 C ATOM 383 CD GLU A 26 -6.348 7.382 -14.004 1.00 1.00 C ATOM 384 OE1 GLU A 26 -7.255 7.187 -14.828 1.00 1.00 O ATOM 385 OE2 GLU A 26 -5.087 7.336 -14.268 1.00 1.00 O ATOM 0 H GLU A 26 -7.462 5.157 -9.559 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.329 7.119 -10.104 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -5.796 5.816 -12.023 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.528 5.879 -11.764 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -7.698 8.124 -12.494 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -6.010 8.467 -12.171 1.00 1.00 H new ATOM 393 N LYS A 27 -7.939 7.838 -8.678 1.00 1.00 N ATOM 394 CA LYS A 27 -8.813 8.880 -8.168 1.00 1.00 C ATOM 395 C LYS A 27 -8.286 9.365 -6.815 1.00 1.00 C ATOM 396 O LYS A 27 -8.771 10.359 -6.276 1.00 1.00 O ATOM 397 CB LYS A 27 -10.262 8.391 -8.123 1.00 1.00 C ATOM 398 CG LYS A 27 -10.474 7.409 -6.969 1.00 1.00 C ATOM 399 CD LYS A 27 -11.488 6.328 -7.348 1.00 1.00 C ATOM 400 CE LYS A 27 -12.164 5.751 -6.103 1.00 1.00 C ATOM 401 NZ LYS A 27 -12.763 4.431 -6.404 1.00 1.00 N ATOM 0 H LYS A 27 -7.909 6.991 -8.111 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.812 9.739 -8.839 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -10.933 9.242 -8.009 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.516 7.909 -9.067 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -9.524 6.945 -6.703 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -10.823 7.948 -6.088 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -12.242 6.749 -8.014 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -10.987 5.531 -7.897 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -11.435 5.651 -5.299 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -12.936 6.435 -5.751 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -13.218 4.053 -5.549 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -13.473 4.536 -7.156 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -12.019 3.776 -6.719 1.00 1.00 H new ATOM 414 N VAL A 28 -7.301 8.640 -6.306 1.00 1.00 N ATOM 415 CA VAL A 28 -6.703 8.984 -5.027 1.00 1.00 C ATOM 416 C VAL A 28 -5.399 9.747 -5.267 1.00 1.00 C ATOM 417 O VAL A 28 -4.513 9.264 -5.970 1.00 1.00 O ATOM 418 CB VAL A 28 -6.510 7.721 -4.184 1.00 1.00 C ATOM 419 CG1 VAL A 28 -6.085 8.075 -2.757 1.00 1.00 C ATOM 420 CG2 VAL A 28 -7.778 6.865 -4.182 1.00 1.00 C ATOM 0 H VAL A 28 -6.902 7.816 -6.756 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.364 9.640 -4.460 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.710 7.134 -4.636 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -5.955 7.160 -2.179 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.144 8.625 -2.783 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -6.853 8.692 -2.291 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.614 5.974 -3.576 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.605 7.440 -3.765 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.020 6.570 -5.203 1.00 1.00 H new ATOM 430 N GLU A 29 -5.323 10.927 -4.669 1.00 1.00 N ATOM 431 CA GLU A 29 -4.142 11.762 -4.809 1.00 1.00 C ATOM 432 C GLU A 29 -2.877 10.938 -4.563 1.00 1.00 C ATOM 433 O GLU A 29 -2.824 10.139 -3.630 1.00 1.00 O ATOM 434 CB GLU A 29 -4.206 12.964 -3.865 1.00 1.00 C ATOM 435 CG GLU A 29 -4.228 14.278 -4.649 1.00 1.00 C ATOM 436 CD GLU A 29 -3.735 15.441 -3.786 1.00 1.00 C ATOM 437 OE1 GLU A 29 -3.654 15.309 -2.556 1.00 1.00 O ATOM 438 OE2 GLU A 29 -3.429 16.511 -4.437 1.00 1.00 O ATOM 0 H GLU A 29 -6.060 11.325 -4.087 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.110 12.144 -5.829 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.097 12.894 -3.241 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.346 12.951 -3.195 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -3.600 14.187 -5.535 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.241 14.482 -4.995 1.00 1.00 H new ATOM 446 N CYS A 30 -1.889 11.161 -5.417 1.00 1.00 N ATOM 447 CA CYS A 30 -0.627 10.449 -5.304 1.00 1.00 C ATOM 448 C CYS A 30 -0.147 10.548 -3.855 1.00 1.00 C ATOM 449 O CYS A 30 -0.002 9.533 -3.174 1.00 1.00 O ATOM 450 CB CYS A 30 0.415 10.984 -6.288 1.00 1.00 C ATOM 451 SG CYS A 30 -0.217 11.308 -7.975 1.00 1.00 S ATOM 0 H CYS A 30 -1.937 11.825 -6.190 1.00 1.00 H new ATOM 0 HA CYS A 30 -0.774 9.401 -5.566 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.831 11.908 -5.888 1.00 1.00 H new ATOM 0 HB3 CYS A 30 1.234 10.268 -6.353 1.00 1.00 H new ATOM 0 HG CYS A 30 0.748 11.759 -8.721 1.00 1.00 H new ATOM 456 N VAL A 31 0.086 11.779 -3.425 1.00 1.00 N ATOM 457 CA VAL A 31 0.546 12.024 -2.069 1.00 1.00 C ATOM 458 C VAL A 31 -0.196 11.094 -1.108 1.00 1.00 C ATOM 459 O VAL A 31 0.428 10.390 -0.314 1.00 1.00 O ATOM 460 CB VAL A 31 0.378 13.504 -1.719 1.00 1.00 C ATOM 461 CG1 VAL A 31 -1.048 13.977 -2.007 1.00 1.00 C ATOM 462 CG2 VAL A 31 0.759 13.769 -0.261 1.00 1.00 C ATOM 0 H VAL A 31 -0.035 12.618 -3.992 1.00 1.00 H new ATOM 0 HA VAL A 31 1.609 11.802 -1.980 1.00 1.00 H new ATOM 0 HB VAL A 31 1.055 14.077 -2.352 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -1.140 15.032 -1.749 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -1.270 13.841 -3.066 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -1.752 13.395 -1.411 1.00 1.00 H new ATOM 0 HG21 VAL A 31 0.631 14.828 -0.038 1.00 1.00 H new ATOM 0 HG22 VAL A 31 0.118 13.180 0.395 1.00 1.00 H new ATOM 0 HG23 VAL A 31 1.800 13.488 -0.100 1.00 1.00 H new ATOM 472 N THR A 32 -1.516 11.120 -1.210 1.00 1.00 N ATOM 473 CA THR A 32 -2.350 10.288 -0.359 1.00 1.00 C ATOM 474 C THR A 32 -1.686 8.929 -0.128 1.00 1.00 C ATOM 475 O THR A 32 -1.816 8.345 0.947 1.00 1.00 O ATOM 476 CB THR A 32 -3.733 10.187 -1.005 1.00 1.00 C ATOM 477 OG1 THR A 32 -3.982 11.500 -1.499 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.844 9.957 0.022 1.00 1.00 C ATOM 0 H THR A 32 -2.030 11.705 -1.870 1.00 1.00 H new ATOM 0 HA THR A 32 -2.470 10.729 0.631 1.00 1.00 H new ATOM 0 HB THR A 32 -3.736 9.373 -1.730 1.00 1.00 H new ATOM 0 HG1 THR A 32 -4.920 11.736 -1.343 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.805 9.893 -0.489 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.656 9.027 0.559 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.864 10.787 0.729 1.00 1.00 H new ATOM 486 N CYS A 33 -0.988 8.465 -1.154 1.00 1.00 N ATOM 487 CA CYS A 33 -0.304 7.185 -1.077 1.00 1.00 C ATOM 488 C CYS A 33 1.201 7.449 -0.998 1.00 1.00 C ATOM 489 O CYS A 33 1.873 6.996 -0.075 1.00 1.00 O ATOM 490 CB CYS A 33 -0.664 6.279 -2.256 1.00 1.00 C ATOM 491 SG CYS A 33 -1.901 5.035 -1.734 1.00 1.00 S ATOM 0 H CYS A 33 -0.881 8.953 -2.044 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.626 6.651 -0.183 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.061 6.877 -3.077 1.00 1.00 H new ATOM 0 HB3 CYS A 33 0.231 5.780 -2.629 1.00 1.00 H new ATOM 0 HG CYS A 33 -2.202 4.272 -2.743 1.00 1.00 H new ATOM 496 N HIS A 34 1.695 8.191 -1.990 1.00 1.00 N ATOM 497 CA HIS A 34 3.107 8.547 -2.085 1.00 1.00 C ATOM 498 C HIS A 34 3.398 9.762 -1.185 1.00 1.00 C ATOM 499 O HIS A 34 3.574 10.875 -1.677 1.00 1.00 O ATOM 500 CB HIS A 34 3.469 8.753 -3.563 1.00 1.00 C ATOM 501 CG HIS A 34 3.393 7.537 -4.457 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.345 6.600 -4.480 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.440 7.136 -5.363 1.00 1.00 C ATOM 504 CE1 HIS A 34 4.000 5.653 -5.366 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.832 5.934 -5.940 1.00 1.00 N ATOM 0 H HIS A 34 1.125 8.561 -2.750 1.00 1.00 H new ATOM 0 HA HIS A 34 3.747 7.746 -1.716 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.808 9.517 -3.972 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.483 9.149 -3.613 1.00 1.00 H new ATOM 0 HD1 HIS A 34 5.195 6.604 -3.916 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.530 7.671 -5.591 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.593 4.777 -5.585 1.00 1.00 H new ATOM 513 N HIS A 35 3.442 9.506 0.123 1.00 1.00 N ATOM 514 CA HIS A 35 3.707 10.535 1.122 1.00 1.00 C ATOM 515 C HIS A 35 4.940 11.359 0.707 1.00 1.00 C ATOM 516 O HIS A 35 5.729 10.914 -0.125 1.00 1.00 O ATOM 517 CB HIS A 35 3.826 9.869 2.501 1.00 1.00 C ATOM 518 CG HIS A 35 5.103 9.109 2.780 1.00 1.00 C ATOM 519 ND1 HIS A 35 6.307 9.688 2.747 1.00 1.00 N ATOM 520 CD2 HIS A 35 5.321 7.791 3.101 1.00 1.00 C ATOM 521 CE1 HIS A 35 7.239 8.766 3.035 1.00 1.00 C ATOM 522 NE2 HIS A 35 6.684 7.577 3.262 1.00 1.00 N ATOM 0 H HIS A 35 3.294 8.577 0.517 1.00 1.00 H new ATOM 0 HA HIS A 35 2.885 11.248 1.189 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.716 10.641 3.262 1.00 1.00 H new ATOM 0 HB3 HIS A 35 2.988 9.182 2.621 1.00 1.00 H new ATOM 0 HD1 HIS A 35 6.488 10.670 2.537 1.00 1.00 H new ATOM 0 HD2 HIS A 35 4.553 7.039 3.211 1.00 1.00 H new ATOM 0 HE1 HIS A 35 8.300 8.963 3.077 1.00 1.00 H new ATOM 530 N LEU A 36 5.063 12.535 1.304 1.00 1.00 N ATOM 531 CA LEU A 36 6.182 13.412 1.006 1.00 1.00 C ATOM 532 C LEU A 36 7.375 13.027 1.883 1.00 1.00 C ATOM 533 O LEU A 36 7.201 12.450 2.955 1.00 1.00 O ATOM 534 CB LEU A 36 5.765 14.878 1.144 1.00 1.00 C ATOM 535 CG LEU A 36 4.328 15.208 0.736 1.00 1.00 C ATOM 536 CD1 LEU A 36 3.502 15.648 1.947 1.00 1.00 C ATOM 537 CD2 LEU A 36 4.301 16.248 -0.385 1.00 1.00 C ATOM 0 H LEU A 36 4.406 12.901 1.993 1.00 1.00 H new ATOM 0 HA LEU A 36 6.496 13.290 -0.031 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.905 15.179 2.182 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.441 15.486 0.542 1.00 1.00 H new ATOM 0 HG LEU A 36 3.867 14.301 0.344 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.485 15.877 1.630 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.480 14.845 2.684 1.00 1.00 H new ATOM 0 HD13 LEU A 36 3.952 16.536 2.391 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.268 16.464 -0.656 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.786 17.163 -0.044 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.830 15.859 -1.255 1.00 1.00 H new ATOM 549 N VAL A 37 8.560 13.362 1.394 1.00 1.00 N ATOM 550 CA VAL A 37 9.782 13.058 2.120 1.00 1.00 C ATOM 551 C VAL A 37 10.533 14.358 2.412 1.00 1.00 C ATOM 552 O VAL A 37 11.014 15.021 1.494 1.00 1.00 O ATOM 553 CB VAL A 37 10.620 12.047 1.334 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.945 11.763 2.045 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.837 10.754 1.096 1.00 1.00 C ATOM 0 H VAL A 37 8.700 13.841 0.504 1.00 1.00 H new ATOM 0 HA VAL A 37 9.551 12.593 3.079 1.00 1.00 H new ATOM 0 HB VAL A 37 10.849 12.484 0.362 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.521 11.042 1.466 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.513 12.689 2.140 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.746 11.356 3.036 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.455 10.052 0.536 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.564 10.312 2.054 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.933 10.975 0.528 1.00 1.00 H new ATOM 565 N ASP A 38 10.611 14.684 3.694 1.00 1.00 N ATOM 566 CA ASP A 38 11.296 15.894 4.118 1.00 1.00 C ATOM 567 C ASP A 38 10.663 17.103 3.425 1.00 1.00 C ATOM 568 O ASP A 38 11.369 18.006 2.978 1.00 1.00 O ATOM 569 CB ASP A 38 12.777 15.851 3.736 1.00 1.00 C ATOM 570 CG ASP A 38 13.677 15.103 4.720 1.00 1.00 C ATOM 571 OD1 ASP A 38 13.922 13.896 4.572 1.00 1.00 O ATOM 572 OD2 ASP A 38 14.143 15.820 5.687 1.00 1.00 O ATOM 0 H ASP A 38 10.211 14.132 4.453 1.00 1.00 H new ATOM 0 HA ASP A 38 11.205 15.971 5.202 1.00 1.00 H new ATOM 0 HB2 ASP A 38 12.870 15.385 2.755 1.00 1.00 H new ATOM 0 HB3 ASP A 38 13.141 16.874 3.639 1.00 1.00 H new ATOM 578 N GLY A 39 9.340 17.080 3.358 1.00 1.00 N ATOM 579 CA GLY A 39 8.605 18.163 2.727 1.00 1.00 C ATOM 580 C GLY A 39 9.039 18.346 1.271 1.00 1.00 C ATOM 581 O GLY A 39 9.053 19.464 0.759 1.00 1.00 O ATOM 0 H GLY A 39 8.758 16.329 3.730 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.536 17.954 2.768 1.00 1.00 H new ATOM 0 HA3 GLY A 39 8.770 19.089 3.278 1.00 1.00 H new ATOM 585 N LYS A 40 9.383 17.230 0.645 1.00 1.00 N ATOM 586 CA LYS A 40 9.817 17.253 -0.741 1.00 1.00 C ATOM 587 C LYS A 40 9.166 16.090 -1.494 1.00 1.00 C ATOM 588 O LYS A 40 9.263 14.940 -1.069 1.00 1.00 O ATOM 589 CB LYS A 40 11.344 17.262 -0.825 1.00 1.00 C ATOM 590 CG LYS A 40 11.824 18.117 -2.000 1.00 1.00 C ATOM 591 CD LYS A 40 11.645 19.607 -1.702 1.00 1.00 C ATOM 592 CE LYS A 40 11.604 20.424 -2.995 1.00 1.00 C ATOM 593 NZ LYS A 40 10.610 21.515 -2.889 1.00 1.00 N ATOM 0 H LYS A 40 9.370 16.304 1.073 1.00 1.00 H new ATOM 0 HA LYS A 40 9.489 18.172 -1.227 1.00 1.00 H new ATOM 0 HB2 LYS A 40 11.761 17.649 0.105 1.00 1.00 H new ATOM 0 HB3 LYS A 40 11.711 16.242 -0.939 1.00 1.00 H new ATOM 0 HG2 LYS A 40 12.874 17.906 -2.203 1.00 1.00 H new ATOM 0 HG3 LYS A 40 11.267 17.853 -2.899 1.00 1.00 H new ATOM 0 HD2 LYS A 40 10.723 19.761 -1.141 1.00 1.00 H new ATOM 0 HD3 LYS A 40 12.463 19.956 -1.073 1.00 1.00 H new ATOM 0 HE2 LYS A 40 12.590 20.841 -3.200 1.00 1.00 H new ATOM 0 HE3 LYS A 40 11.352 19.775 -3.834 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 10.596 22.059 -3.775 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 9.668 21.110 -2.716 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 10.867 22.143 -2.101 1.00 1.00 H new ATOM 606 N GLU A 41 8.518 16.430 -2.598 1.00 1.00 N ATOM 607 CA GLU A 41 7.852 15.429 -3.413 1.00 1.00 C ATOM 608 C GLU A 41 8.747 14.199 -3.580 1.00 1.00 C ATOM 609 O GLU A 41 9.967 14.323 -3.684 1.00 1.00 O ATOM 610 CB GLU A 41 7.454 16.005 -4.774 1.00 1.00 C ATOM 611 CG GLU A 41 6.201 16.875 -4.655 1.00 1.00 C ATOM 612 CD GLU A 41 4.946 16.012 -4.511 1.00 1.00 C ATOM 613 OE1 GLU A 41 4.731 15.403 -3.453 1.00 1.00 O ATOM 614 OE2 GLU A 41 4.179 15.987 -5.548 1.00 1.00 O ATOM 0 H GLU A 41 8.440 17.385 -2.947 1.00 1.00 H new ATOM 0 HA GLU A 41 6.938 15.124 -2.903 1.00 1.00 H new ATOM 0 HB2 GLU A 41 8.276 16.597 -5.177 1.00 1.00 H new ATOM 0 HB3 GLU A 41 7.272 15.193 -5.478 1.00 1.00 H new ATOM 0 HG2 GLU A 41 6.293 17.536 -3.793 1.00 1.00 H new ATOM 0 HG3 GLU A 41 6.110 17.511 -5.536 1.00 1.00 H new ATOM 622 N SER A 42 8.107 13.039 -3.600 1.00 1.00 N ATOM 623 CA SER A 42 8.830 11.788 -3.752 1.00 1.00 C ATOM 624 C SER A 42 7.958 10.765 -4.484 1.00 1.00 C ATOM 625 O SER A 42 6.735 10.746 -4.365 1.00 1.00 O ATOM 626 CB SER A 42 9.268 11.236 -2.394 1.00 1.00 C ATOM 627 OG SER A 42 10.642 10.857 -2.389 1.00 1.00 O ATOM 0 H SER A 42 7.096 12.939 -3.513 1.00 1.00 H new ATOM 0 HA SER A 42 9.726 11.981 -4.342 1.00 1.00 H new ATOM 0 HB2 SER A 42 9.097 11.989 -1.625 1.00 1.00 H new ATOM 0 HB3 SER A 42 8.653 10.373 -2.138 1.00 1.00 H new ATOM 0 HG SER A 42 10.843 10.367 -1.564 1.00 1.00 H new ATOM 633 N TYR A 43 8.625 9.903 -5.254 1.00 1.00 N ATOM 634 CA TYR A 43 7.945 8.874 -6.014 1.00 1.00 C ATOM 635 C TYR A 43 8.892 7.710 -6.269 1.00 1.00 C ATOM 636 O TYR A 43 8.913 7.195 -7.386 1.00 1.00 O ATOM 637 CB TYR A 43 7.445 9.463 -7.330 1.00 1.00 C ATOM 638 CG TYR A 43 6.327 10.463 -7.156 1.00 1.00 C ATOM 639 CD1 TYR A 43 6.620 11.788 -6.813 1.00 1.00 C ATOM 640 CD2 TYR A 43 4.997 10.065 -7.339 1.00 1.00 C ATOM 641 CE1 TYR A 43 5.583 12.715 -6.652 1.00 1.00 C ATOM 642 CE2 TYR A 43 3.960 10.993 -7.179 1.00 1.00 C ATOM 643 CZ TYR A 43 4.254 12.318 -6.835 1.00 1.00 C ATOM 644 OH TYR A 43 3.244 13.221 -6.679 1.00 1.00 O ATOM 0 H TYR A 43 9.639 9.904 -5.362 1.00 1.00 H new ATOM 0 HA TYR A 43 7.090 8.503 -5.449 1.00 1.00 H new ATOM 0 HB2 TYR A 43 8.277 9.946 -7.842 1.00 1.00 H new ATOM 0 HB3 TYR A 43 7.101 8.654 -7.974 1.00 1.00 H new ATOM 0 HD1 TYR A 43 7.646 12.095 -6.673 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.771 9.043 -7.603 1.00 1.00 H new ATOM 0 HE1 TYR A 43 5.809 13.737 -6.386 1.00 1.00 H new ATOM 0 HE2 TYR A 43 2.934 10.687 -7.321 1.00 1.00 H new ATOM 0 HH TYR A 43 3.609 14.064 -6.338 1.00 1.00 H new ATOM 654 N ALA A 44 9.644 7.322 -5.250 1.00 1.00 N ATOM 655 CA ALA A 44 10.580 6.220 -5.388 1.00 1.00 C ATOM 656 C ALA A 44 9.916 4.928 -4.907 1.00 1.00 C ATOM 657 O ALA A 44 9.078 4.955 -4.007 1.00 1.00 O ATOM 658 CB ALA A 44 11.862 6.539 -4.615 1.00 1.00 C ATOM 0 H ALA A 44 9.624 7.751 -4.325 1.00 1.00 H new ATOM 0 HA ALA A 44 10.855 6.080 -6.433 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.565 5.712 -4.718 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.311 7.449 -5.014 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.625 6.684 -3.561 1.00 1.00 H new ATOM 664 N LYS A 45 10.315 3.829 -5.529 1.00 1.00 N ATOM 665 CA LYS A 45 9.768 2.529 -5.176 1.00 1.00 C ATOM 666 C LYS A 45 9.611 2.443 -3.656 1.00 1.00 C ATOM 667 O LYS A 45 10.432 2.976 -2.912 1.00 1.00 O ATOM 668 CB LYS A 45 10.624 1.409 -5.770 1.00 1.00 C ATOM 669 CG LYS A 45 12.022 1.399 -5.150 1.00 1.00 C ATOM 670 CD LYS A 45 13.033 2.091 -6.066 1.00 1.00 C ATOM 671 CE LYS A 45 13.919 1.067 -6.779 1.00 1.00 C ATOM 672 NZ LYS A 45 15.154 1.710 -7.280 1.00 1.00 N ATOM 0 H LYS A 45 11.010 3.811 -6.275 1.00 1.00 H new ATOM 0 HA LYS A 45 8.775 2.403 -5.607 1.00 1.00 H new ATOM 0 HB2 LYS A 45 10.140 0.447 -5.600 1.00 1.00 H new ATOM 0 HB3 LYS A 45 10.702 1.540 -6.849 1.00 1.00 H new ATOM 0 HG2 LYS A 45 11.998 1.902 -4.183 1.00 1.00 H new ATOM 0 HG3 LYS A 45 12.335 0.371 -4.967 1.00 1.00 H new ATOM 0 HD2 LYS A 45 12.506 2.697 -6.803 1.00 1.00 H new ATOM 0 HD3 LYS A 45 13.654 2.770 -5.481 1.00 1.00 H new ATOM 0 HE2 LYS A 45 14.175 0.259 -6.094 1.00 1.00 H new ATOM 0 HE3 LYS A 45 13.372 0.620 -7.609 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 15.744 1.001 -7.761 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 14.905 2.465 -7.950 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 15.683 2.116 -6.482 1.00 1.00 H new ATOM 685 N CYS A 46 8.550 1.767 -3.241 1.00 1.00 N ATOM 686 CA CYS A 46 8.274 1.604 -1.824 1.00 1.00 C ATOM 687 C CYS A 46 9.569 1.178 -1.128 1.00 1.00 C ATOM 688 O CYS A 46 9.798 1.523 0.030 1.00 1.00 O ATOM 689 CB CYS A 46 7.140 0.606 -1.579 1.00 1.00 C ATOM 690 SG CYS A 46 5.822 1.203 -0.458 1.00 1.00 S ATOM 0 H CYS A 46 7.871 1.326 -3.861 1.00 1.00 H new ATOM 0 HA CYS A 46 7.932 2.551 -1.407 1.00 1.00 H new ATOM 0 HB2 CYS A 46 6.692 0.344 -2.537 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.563 -0.309 -1.165 1.00 1.00 H new ATOM 0 HG CYS A 46 4.895 0.298 -0.358 1.00 1.00 H new ATOM 695 N GLY A 47 10.381 0.435 -1.865 1.00 1.00 N ATOM 696 CA GLY A 47 11.647 -0.042 -1.334 1.00 1.00 C ATOM 697 C GLY A 47 12.826 0.623 -2.046 1.00 1.00 C ATOM 698 O GLY A 47 13.611 -0.048 -2.715 1.00 1.00 O ATOM 0 H GLY A 47 10.187 0.151 -2.825 1.00 1.00 H new ATOM 0 HA2 GLY A 47 11.699 0.166 -0.265 1.00 1.00 H new ATOM 0 HA3 GLY A 47 11.710 -1.124 -1.451 1.00 1.00 H new ATOM 702 N SER A 48 12.914 1.935 -1.879 1.00 1.00 N ATOM 703 CA SER A 48 13.984 2.698 -2.498 1.00 1.00 C ATOM 704 C SER A 48 15.107 2.938 -1.488 1.00 1.00 C ATOM 705 O SER A 48 14.935 2.697 -0.294 1.00 1.00 O ATOM 706 CB SER A 48 13.466 4.031 -3.043 1.00 1.00 C ATOM 707 OG SER A 48 14.526 4.878 -3.477 1.00 1.00 O ATOM 0 H SER A 48 12.261 2.489 -1.324 1.00 1.00 H new ATOM 0 HA SER A 48 14.375 2.121 -3.336 1.00 1.00 H new ATOM 0 HB2 SER A 48 12.788 3.843 -3.875 1.00 1.00 H new ATOM 0 HB3 SER A 48 12.889 4.539 -2.270 1.00 1.00 H new ATOM 0 HG SER A 48 14.263 5.815 -3.364 1.00 1.00 H new ATOM 713 N SER A 49 16.233 3.411 -2.003 1.00 1.00 N ATOM 714 CA SER A 49 17.384 3.686 -1.161 1.00 1.00 C ATOM 715 C SER A 49 16.986 4.627 -0.022 1.00 1.00 C ATOM 716 O SER A 49 16.322 5.637 -0.250 1.00 1.00 O ATOM 717 CB SER A 49 18.529 4.293 -1.975 1.00 1.00 C ATOM 718 OG SER A 49 19.590 4.753 -1.142 1.00 1.00 O ATOM 0 H SER A 49 16.372 3.611 -2.994 1.00 1.00 H new ATOM 0 HA SER A 49 17.733 2.743 -0.740 1.00 1.00 H new ATOM 0 HB2 SER A 49 18.912 3.548 -2.673 1.00 1.00 H new ATOM 0 HB3 SER A 49 18.150 5.123 -2.571 1.00 1.00 H new ATOM 0 HG SER A 49 20.302 5.132 -1.699 1.00 1.00 H new ATOM 724 N GLY A 50 17.409 4.262 1.179 1.00 1.00 N ATOM 725 CA GLY A 50 17.105 5.061 2.354 1.00 1.00 C ATOM 726 C GLY A 50 15.595 5.138 2.589 1.00 1.00 C ATOM 727 O GLY A 50 15.079 6.177 2.999 1.00 1.00 O ATOM 0 H GLY A 50 17.960 3.424 1.364 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.591 4.628 3.228 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.509 6.066 2.229 1.00 1.00 H new ATOM 731 N CYS A 51 14.929 4.025 2.319 1.00 1.00 N ATOM 732 CA CYS A 51 13.488 3.954 2.496 1.00 1.00 C ATOM 733 C CYS A 51 13.153 2.624 3.174 1.00 1.00 C ATOM 734 O CYS A 51 13.917 2.127 3.999 1.00 1.00 O ATOM 735 CB CYS A 51 12.747 4.121 1.168 1.00 1.00 C ATOM 736 SG CYS A 51 13.427 5.547 0.246 1.00 1.00 S ATOM 0 H CYS A 51 15.360 3.165 1.979 1.00 1.00 H new ATOM 0 HA CYS A 51 13.155 4.777 3.128 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.843 3.213 0.572 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.683 4.271 1.352 1.00 1.00 H new ATOM 0 HG CYS A 51 14.610 5.249 -0.203 1.00 1.00 H new ATOM 741 N HIS A 52 11.997 2.076 2.799 1.00 1.00 N ATOM 742 CA HIS A 52 11.509 0.811 3.336 1.00 1.00 C ATOM 743 C HIS A 52 12.026 -0.355 2.473 1.00 1.00 C ATOM 744 O HIS A 52 11.297 -0.868 1.626 1.00 1.00 O ATOM 745 CB HIS A 52 9.979 0.878 3.456 1.00 1.00 C ATOM 746 CG HIS A 52 9.392 2.187 3.930 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.363 2.537 5.220 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.809 3.222 3.240 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.785 3.743 5.328 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.424 4.213 4.135 1.00 1.00 N ATOM 0 H HIS A 52 11.373 2.500 2.112 1.00 1.00 H new ATOM 0 HA HIS A 52 11.893 0.629 4.340 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.551 0.646 2.481 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.657 0.093 4.140 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.671 3.260 2.169 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.632 4.265 6.261 1.00 1.00 H new ATOM 0 HE2 HIS A 52 7.968 5.101 3.925 1.00 1.00 H new ATOM 758 N ASP A 53 13.272 -0.734 2.719 1.00 1.00 N ATOM 759 CA ASP A 53 13.884 -1.823 1.977 1.00 1.00 C ATOM 760 C ASP A 53 14.510 -2.815 2.959 1.00 1.00 C ATOM 761 O ASP A 53 15.701 -3.111 2.873 1.00 1.00 O ATOM 762 CB ASP A 53 14.991 -1.308 1.055 1.00 1.00 C ATOM 763 CG ASP A 53 16.232 -0.771 1.771 1.00 1.00 C ATOM 764 OD1 ASP A 53 17.350 -1.268 1.570 1.00 1.00 O ATOM 765 OD2 ASP A 53 16.014 0.212 2.577 1.00 1.00 O ATOM 0 H ASP A 53 13.874 -0.306 3.422 1.00 1.00 H new ATOM 0 HA ASP A 53 13.109 -2.300 1.378 1.00 1.00 H new ATOM 0 HB2 ASP A 53 15.295 -2.117 0.390 1.00 1.00 H new ATOM 0 HB3 ASP A 53 14.581 -0.517 0.427 1.00 1.00 H new ATOM 771 N ASP A 54 13.680 -3.301 3.870 1.00 1.00 N ATOM 772 CA ASP A 54 14.137 -4.253 4.867 1.00 1.00 C ATOM 773 C ASP A 54 12.944 -5.062 5.379 1.00 1.00 C ATOM 774 O ASP A 54 12.302 -4.679 6.356 1.00 1.00 O ATOM 775 CB ASP A 54 14.771 -3.538 6.062 1.00 1.00 C ATOM 776 CG ASP A 54 16.294 -3.653 6.152 1.00 1.00 C ATOM 777 OD1 ASP A 54 16.838 -4.739 6.404 1.00 1.00 O ATOM 778 OD2 ASP A 54 16.937 -2.554 5.949 1.00 1.00 O ATOM 0 H ASP A 54 12.693 -3.053 3.938 1.00 1.00 H new ATOM 0 HA ASP A 54 14.879 -4.900 4.399 1.00 1.00 H new ATOM 0 HB2 ASP A 54 14.504 -2.482 6.018 1.00 1.00 H new ATOM 0 HB3 ASP A 54 14.337 -3.939 6.978 1.00 1.00 H new ATOM 784 N LEU A 55 12.682 -6.167 4.696 1.00 1.00 N ATOM 785 CA LEU A 55 11.577 -7.034 5.070 1.00 1.00 C ATOM 786 C LEU A 55 11.938 -7.791 6.349 1.00 1.00 C ATOM 787 O LEU A 55 11.063 -8.332 7.022 1.00 1.00 O ATOM 788 CB LEU A 55 11.194 -7.946 3.903 1.00 1.00 C ATOM 789 CG LEU A 55 10.016 -7.479 3.046 1.00 1.00 C ATOM 790 CD1 LEU A 55 8.726 -7.427 3.868 1.00 1.00 C ATOM 791 CD2 LEU A 55 10.323 -6.139 2.375 1.00 1.00 C ATOM 0 H LEU A 55 13.216 -6.482 3.886 1.00 1.00 H new ATOM 0 HA LEU A 55 10.687 -6.444 5.289 1.00 1.00 H new ATOM 0 HB2 LEU A 55 12.064 -8.061 3.257 1.00 1.00 H new ATOM 0 HB3 LEU A 55 10.959 -8.933 4.301 1.00 1.00 H new ATOM 0 HG LEU A 55 9.862 -8.209 2.251 1.00 1.00 H new ATOM 0 HD11 LEU A 55 7.904 -7.092 3.235 1.00 1.00 H new ATOM 0 HD12 LEU A 55 8.502 -8.420 4.257 1.00 1.00 H new ATOM 0 HD13 LEU A 55 8.851 -6.732 4.698 1.00 1.00 H new ATOM 0 HD21 LEU A 55 9.469 -5.830 1.772 1.00 1.00 H new ATOM 0 HD22 LEU A 55 10.519 -5.386 3.139 1.00 1.00 H new ATOM 0 HD23 LEU A 55 11.200 -6.245 1.736 1.00 1.00 H new ATOM 803 N THR A 56 13.229 -7.804 6.647 1.00 1.00 N ATOM 804 CA THR A 56 13.717 -8.486 7.834 1.00 1.00 C ATOM 805 C THR A 56 13.328 -7.708 9.093 1.00 1.00 C ATOM 806 O THR A 56 13.072 -8.302 10.139 1.00 1.00 O ATOM 807 CB THR A 56 15.227 -8.679 7.681 1.00 1.00 C ATOM 808 OG1 THR A 56 15.347 -9.833 6.853 1.00 1.00 O ATOM 809 CG2 THR A 56 15.900 -9.090 8.993 1.00 1.00 C ATOM 0 H THR A 56 13.952 -7.353 6.087 1.00 1.00 H new ATOM 0 HA THR A 56 13.259 -9.469 7.943 1.00 1.00 H new ATOM 0 HB THR A 56 15.676 -7.755 7.316 1.00 1.00 H new ATOM 0 HG1 THR A 56 16.295 -10.029 6.701 1.00 1.00 H new ATOM 0 HG21 THR A 56 16.971 -9.214 8.830 1.00 1.00 H new ATOM 0 HG22 THR A 56 15.735 -8.318 9.744 1.00 1.00 H new ATOM 0 HG23 THR A 56 15.475 -10.031 9.341 1.00 1.00 H new ATOM 817 N ALA A 57 13.296 -6.392 8.950 1.00 1.00 N ATOM 818 CA ALA A 57 12.943 -5.527 10.063 1.00 1.00 C ATOM 819 C ALA A 57 11.804 -6.167 10.859 1.00 1.00 C ATOM 820 O ALA A 57 11.968 -6.490 12.034 1.00 1.00 O ATOM 821 CB ALA A 57 12.577 -4.138 9.535 1.00 1.00 C ATOM 0 H ALA A 57 13.509 -5.903 8.080 1.00 1.00 H new ATOM 0 HA ALA A 57 13.790 -5.406 10.738 1.00 1.00 H new ATOM 0 HB1 ALA A 57 12.312 -3.489 10.370 1.00 1.00 H new ATOM 0 HB2 ALA A 57 13.429 -3.715 9.003 1.00 1.00 H new ATOM 0 HB3 ALA A 57 11.729 -4.219 8.855 1.00 1.00 H new ATOM 827 N LYS A 58 10.674 -6.330 10.186 1.00 1.00 N ATOM 828 CA LYS A 58 9.507 -6.925 10.816 1.00 1.00 C ATOM 829 C LYS A 58 8.661 -5.824 11.458 1.00 1.00 C ATOM 830 O LYS A 58 7.434 -5.902 11.462 1.00 1.00 O ATOM 831 CB LYS A 58 9.929 -8.025 11.793 1.00 1.00 C ATOM 832 CG LYS A 58 8.877 -9.135 11.855 1.00 1.00 C ATOM 833 CD LYS A 58 9.336 -10.369 11.075 1.00 1.00 C ATOM 834 CE LYS A 58 9.551 -11.560 12.011 1.00 1.00 C ATOM 835 NZ LYS A 58 9.958 -12.757 11.241 1.00 1.00 N ATOM 0 H LYS A 58 10.542 -6.061 9.211 1.00 1.00 H new ATOM 0 HA LYS A 58 8.880 -7.415 10.071 1.00 1.00 H new ATOM 0 HB2 LYS A 58 10.887 -8.443 11.484 1.00 1.00 H new ATOM 0 HB3 LYS A 58 10.073 -7.599 12.786 1.00 1.00 H new ATOM 0 HG2 LYS A 58 8.690 -9.406 12.894 1.00 1.00 H new ATOM 0 HG3 LYS A 58 7.935 -8.771 11.446 1.00 1.00 H new ATOM 0 HD2 LYS A 58 8.592 -10.624 10.321 1.00 1.00 H new ATOM 0 HD3 LYS A 58 10.263 -10.146 10.546 1.00 1.00 H new ATOM 0 HE2 LYS A 58 10.316 -11.317 12.748 1.00 1.00 H new ATOM 0 HE3 LYS A 58 8.633 -11.769 12.561 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 10.100 -13.556 11.891 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 9.215 -12.997 10.554 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 10.846 -12.560 10.736 1.00 1.00 H new ATOM 848 N LYS A 59 9.352 -4.823 11.984 1.00 1.00 N ATOM 849 CA LYS A 59 8.679 -3.707 12.627 1.00 1.00 C ATOM 850 C LYS A 59 9.666 -2.549 12.793 1.00 1.00 C ATOM 851 O LYS A 59 10.738 -2.721 13.371 1.00 1.00 O ATOM 852 CB LYS A 59 8.031 -4.155 13.938 1.00 1.00 C ATOM 853 CG LYS A 59 9.031 -4.093 15.094 1.00 1.00 C ATOM 854 CD LYS A 59 8.363 -4.466 16.419 1.00 1.00 C ATOM 855 CE LYS A 59 9.097 -5.626 17.095 1.00 1.00 C ATOM 856 NZ LYS A 59 10.024 -5.119 18.131 1.00 1.00 N ATOM 0 H LYS A 59 10.370 -4.762 11.978 1.00 1.00 H new ATOM 0 HA LYS A 59 7.863 -3.344 12.003 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.174 -3.519 14.160 1.00 1.00 H new ATOM 0 HB3 LYS A 59 7.655 -5.172 13.832 1.00 1.00 H new ATOM 0 HG2 LYS A 59 9.861 -4.771 14.898 1.00 1.00 H new ATOM 0 HG3 LYS A 59 9.449 -3.089 15.164 1.00 1.00 H new ATOM 0 HD2 LYS A 59 8.354 -3.601 17.082 1.00 1.00 H new ATOM 0 HD3 LYS A 59 7.324 -4.743 16.241 1.00 1.00 H new ATOM 0 HE2 LYS A 59 8.375 -6.307 17.546 1.00 1.00 H new ATOM 0 HE3 LYS A 59 9.652 -6.197 16.350 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 10.514 -5.919 18.580 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 10.723 -4.487 17.692 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 9.487 -4.594 18.851 1.00 1.00 H new ATOM 869 N GLY A 60 9.269 -1.396 12.276 1.00 1.00 N ATOM 870 CA GLY A 60 10.105 -0.211 12.360 1.00 1.00 C ATOM 871 C GLY A 60 9.828 0.739 11.193 1.00 1.00 C ATOM 872 O GLY A 60 8.964 0.470 10.360 1.00 1.00 O ATOM 0 H GLY A 60 8.379 -1.257 11.797 1.00 1.00 H new ATOM 0 HA2 GLY A 60 9.920 0.303 13.303 1.00 1.00 H new ATOM 0 HA3 GLY A 60 11.156 -0.502 12.356 1.00 1.00 H new ATOM 876 N GLU A 61 10.577 1.832 11.171 1.00 1.00 N ATOM 877 CA GLU A 61 10.423 2.823 10.120 1.00 1.00 C ATOM 878 C GLU A 61 11.270 2.444 8.904 1.00 1.00 C ATOM 879 O GLU A 61 11.510 3.273 8.028 1.00 1.00 O ATOM 880 CB GLU A 61 10.786 4.221 10.627 1.00 1.00 C ATOM 881 CG GLU A 61 12.047 4.179 11.493 1.00 1.00 C ATOM 882 CD GLU A 61 11.689 4.123 12.980 1.00 1.00 C ATOM 883 OE1 GLU A 61 10.600 4.567 13.373 1.00 1.00 O ATOM 884 OE2 GLU A 61 12.589 3.594 13.738 1.00 1.00 O ATOM 0 H GLU A 61 11.292 2.053 11.864 1.00 1.00 H new ATOM 0 HA GLU A 61 9.376 2.842 9.817 1.00 1.00 H new ATOM 0 HB2 GLU A 61 10.944 4.889 9.780 1.00 1.00 H new ATOM 0 HB3 GLU A 61 9.957 4.629 11.205 1.00 1.00 H new ATOM 0 HG2 GLU A 61 12.647 3.309 11.227 1.00 1.00 H new ATOM 0 HG3 GLU A 61 12.658 5.060 11.295 1.00 1.00 H new ATOM 892 N LYS A 62 11.700 1.191 8.890 1.00 1.00 N ATOM 893 CA LYS A 62 12.515 0.691 7.796 1.00 1.00 C ATOM 894 C LYS A 62 12.011 -0.692 7.380 1.00 1.00 C ATOM 895 O LYS A 62 12.805 -1.582 7.079 1.00 1.00 O ATOM 896 CB LYS A 62 13.997 0.717 8.177 1.00 1.00 C ATOM 897 CG LYS A 62 14.444 2.133 8.545 1.00 1.00 C ATOM 898 CD LYS A 62 15.803 2.458 7.923 1.00 1.00 C ATOM 899 CE LYS A 62 16.910 2.434 8.980 1.00 1.00 C ATOM 900 NZ LYS A 62 17.180 1.046 9.416 1.00 1.00 N ATOM 0 H LYS A 62 11.499 0.507 9.619 1.00 1.00 H new ATOM 0 HA LYS A 62 12.422 1.339 6.925 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.172 0.047 9.018 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.597 0.347 7.345 1.00 1.00 H new ATOM 0 HG2 LYS A 62 13.701 2.853 8.202 1.00 1.00 H new ATOM 0 HG3 LYS A 62 14.504 2.229 9.629 1.00 1.00 H new ATOM 0 HD2 LYS A 62 16.029 1.737 7.138 1.00 1.00 H new ATOM 0 HD3 LYS A 62 15.766 3.440 7.452 1.00 1.00 H new ATOM 0 HE2 LYS A 62 17.819 2.877 8.573 1.00 1.00 H new ATOM 0 HE3 LYS A 62 16.616 3.040 9.837 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 17.933 1.048 10.133 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 16.315 0.636 9.823 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 17.481 0.478 8.599 1.00 1.00 H new ATOM 913 N SER A 63 10.693 -0.830 7.377 1.00 1.00 N ATOM 914 CA SER A 63 10.073 -2.090 7.003 1.00 1.00 C ATOM 915 C SER A 63 8.907 -1.836 6.047 1.00 1.00 C ATOM 916 O SER A 63 8.255 -0.795 6.120 1.00 1.00 O ATOM 917 CB SER A 63 9.591 -2.855 8.238 1.00 1.00 C ATOM 918 OG SER A 63 9.533 -4.259 8.006 1.00 1.00 O ATOM 0 H SER A 63 10.037 -0.090 7.628 1.00 1.00 H new ATOM 0 HA SER A 63 10.820 -2.703 6.499 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.261 -2.653 9.074 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.604 -2.494 8.526 1.00 1.00 H new ATOM 0 HG SER A 63 9.076 -4.696 8.755 1.00 1.00 H new ATOM 924 N LEU A 64 8.679 -2.804 5.171 1.00 1.00 N ATOM 925 CA LEU A 64 7.602 -2.698 4.202 1.00 1.00 C ATOM 926 C LEU A 64 6.463 -3.636 4.606 1.00 1.00 C ATOM 927 O LEU A 64 5.838 -4.298 3.781 1.00 1.00 O ATOM 928 CB LEU A 64 8.129 -2.946 2.787 1.00 1.00 C ATOM 929 CG LEU A 64 7.125 -2.737 1.651 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.727 -1.265 1.534 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.667 -3.291 0.332 1.00 1.00 C ATOM 0 H LEU A 64 9.222 -3.665 5.112 1.00 1.00 H new ATOM 0 HA LEU A 64 7.195 -1.687 4.194 1.00 1.00 H new ATOM 0 HB2 LEU A 64 8.981 -2.288 2.618 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.501 -3.969 2.733 1.00 1.00 H new ATOM 0 HG LEU A 64 6.220 -3.297 1.888 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.013 -1.145 0.719 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.271 -0.936 2.468 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.613 -0.663 1.332 1.00 1.00 H new ATOM 0 HD21 LEU A 64 6.934 -3.130 -0.459 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.595 -2.780 0.077 1.00 1.00 H new ATOM 0 HD23 LEU A 64 7.858 -4.359 0.437 1.00 1.00 H new ATOM 943 N TYR A 65 6.204 -3.677 5.916 1.00 1.00 N ATOM 944 CA TYR A 65 5.157 -4.517 6.460 1.00 1.00 C ATOM 945 C TYR A 65 4.303 -3.714 7.431 1.00 1.00 C ATOM 946 O TYR A 65 3.088 -3.892 7.488 1.00 1.00 O ATOM 947 CB TYR A 65 5.783 -5.720 7.159 1.00 1.00 C ATOM 948 CG TYR A 65 4.895 -6.335 8.214 1.00 1.00 C ATOM 949 CD1 TYR A 65 3.943 -7.296 7.854 1.00 1.00 C ATOM 950 CD2 TYR A 65 5.023 -5.943 9.552 1.00 1.00 C ATOM 951 CE1 TYR A 65 3.118 -7.865 8.832 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.199 -6.513 10.530 1.00 1.00 C ATOM 953 CZ TYR A 65 3.247 -7.474 10.170 1.00 1.00 C ATOM 954 OH TYR A 65 2.444 -8.028 11.123 1.00 1.00 O ATOM 0 H TYR A 65 6.712 -3.133 6.614 1.00 1.00 H new ATOM 0 HA TYR A 65 4.517 -4.874 5.654 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.026 -6.477 6.413 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.722 -5.414 7.620 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.845 -7.599 6.822 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.757 -5.201 9.830 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.382 -8.605 8.554 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.298 -6.211 11.562 1.00 1.00 H new ATOM 0 HH TYR A 65 2.665 -7.647 11.999 1.00 1.00 H new ATOM 964 N TYR A 66 4.942 -2.825 8.195 1.00 1.00 N ATOM 965 CA TYR A 66 4.239 -2.002 9.159 1.00 1.00 C ATOM 966 C TYR A 66 3.717 -0.744 8.479 1.00 1.00 C ATOM 967 O TYR A 66 3.020 0.035 9.127 1.00 1.00 O ATOM 968 CB TYR A 66 5.182 -1.646 10.305 1.00 1.00 C ATOM 969 CG TYR A 66 4.543 -0.778 11.362 1.00 1.00 C ATOM 970 CD1 TYR A 66 3.708 -1.351 12.328 1.00 1.00 C ATOM 971 CD2 TYR A 66 4.787 0.601 11.377 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.116 -0.547 13.309 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.196 1.406 12.359 1.00 1.00 C ATOM 974 CZ TYR A 66 3.360 0.832 13.325 1.00 1.00 C ATOM 975 OH TYR A 66 2.784 1.616 14.281 1.00 1.00 O ATOM 0 H TYR A 66 5.948 -2.663 8.158 1.00 1.00 H new ATOM 0 HA TYR A 66 3.389 -2.552 9.563 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.541 -2.565 10.769 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.054 -1.131 9.901 1.00 1.00 H new ATOM 0 HD1 TYR A 66 3.520 -2.414 12.317 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.431 1.044 10.631 1.00 1.00 H new ATOM 0 HE1 TYR A 66 2.471 -0.990 14.054 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.385 2.469 12.371 1.00 1.00 H new ATOM 0 HH TYR A 66 3.058 2.548 14.149 1.00 1.00 H new ATOM 985 N VAL A 67 4.055 -0.572 7.210 1.00 1.00 N ATOM 986 CA VAL A 67 3.609 0.596 6.469 1.00 1.00 C ATOM 987 C VAL A 67 2.685 0.151 5.333 1.00 1.00 C ATOM 988 O VAL A 67 2.224 0.974 4.544 1.00 1.00 O ATOM 989 CB VAL A 67 4.816 1.397 5.977 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.767 1.717 7.132 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.545 0.656 4.855 1.00 1.00 C ATOM 0 H VAL A 67 4.632 -1.221 6.676 1.00 1.00 H new ATOM 0 HA VAL A 67 3.036 1.261 7.115 1.00 1.00 H new ATOM 0 HB VAL A 67 4.451 2.341 5.572 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.617 2.287 6.756 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.241 2.304 7.885 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.122 0.788 7.579 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.399 1.247 4.523 1.00 1.00 H new ATOM 0 HG22 VAL A 67 5.893 -0.309 5.223 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.864 0.502 4.018 1.00 1.00 H new ATOM 1001 N VAL A 68 2.441 -1.151 5.287 1.00 1.00 N ATOM 1002 CA VAL A 68 1.580 -1.715 4.262 1.00 1.00 C ATOM 1003 C VAL A 68 0.191 -1.970 4.851 1.00 1.00 C ATOM 1004 O VAL A 68 -0.821 -1.575 4.275 1.00 1.00 O ATOM 1005 CB VAL A 68 2.221 -2.975 3.675 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.154 -3.952 3.178 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.204 -2.620 2.558 1.00 1.00 C ATOM 0 H VAL A 68 2.825 -1.831 5.943 1.00 1.00 H new ATOM 0 HA VAL A 68 1.459 -1.013 3.437 1.00 1.00 H new ATOM 0 HB VAL A 68 2.781 -3.468 4.470 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.636 -4.838 2.766 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.511 -4.242 4.009 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.554 -3.473 2.405 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.645 -3.533 2.158 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.676 -2.093 1.763 1.00 1.00 H new ATOM 0 HG23 VAL A 68 3.992 -1.980 2.956 1.00 1.00 H new ATOM 1017 N HIS A 69 0.183 -2.637 6.006 1.00 1.00 N ATOM 1018 CA HIS A 69 -1.046 -2.972 6.717 1.00 1.00 C ATOM 1019 C HIS A 69 -1.347 -1.893 7.773 1.00 1.00 C ATOM 1020 O HIS A 69 -2.179 -1.017 7.542 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.919 -4.394 7.286 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.391 -5.456 6.348 1.00 1.00 C ATOM 1023 ND1 HIS A 69 0.914 -5.700 6.200 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -1.043 -6.332 5.513 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.070 -6.690 5.307 1.00 1.00 C ATOM 1026 NE2 HIS A 69 -0.106 -7.117 4.851 1.00 1.00 N ATOM 0 H HIS A 69 1.031 -2.959 6.473 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.906 -2.978 6.047 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -0.266 -4.355 8.158 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.901 -4.709 7.638 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.668 -5.214 6.686 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -2.114 -6.400 5.391 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.025 -7.088 4.998 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.657 -1.993 8.899 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.843 -1.038 9.979 1.00 1.00 C ATOM 1036 C ALA A 70 -2.125 -0.241 9.733 1.00 1.00 C ATOM 1037 O ALA A 70 -2.095 0.807 9.089 1.00 1.00 O ATOM 1038 CB ALA A 70 0.391 -0.140 10.085 1.00 1.00 C ATOM 0 H ALA A 70 0.032 -2.721 9.088 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.953 -1.554 10.933 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.251 0.576 10.895 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.270 -0.752 10.289 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.532 0.396 9.147 1.00 1.00 H new ATOM 1044 N ARG A 71 -3.221 -0.767 10.259 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.511 -0.117 10.105 1.00 1.00 C ATOM 1046 C ARG A 71 -4.782 0.814 11.289 1.00 1.00 C ATOM 1047 O ARG A 71 -5.932 1.146 11.572 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.639 -1.147 10.007 1.00 1.00 C ATOM 1049 CG ARG A 71 -5.952 -1.748 11.379 1.00 1.00 C ATOM 1050 CD ARG A 71 -4.940 -2.835 11.746 1.00 1.00 C ATOM 1051 NE ARG A 71 -5.604 -3.904 12.525 1.00 1.00 N ATOM 1052 CZ ARG A 71 -5.119 -5.156 12.658 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -3.959 -5.509 12.064 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -5.795 -6.031 13.378 1.00 1.00 N ATOM 0 H ARG A 71 -3.242 -1.636 10.792 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.482 0.462 9.182 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -6.533 -0.675 9.600 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.354 -1.939 9.315 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -5.938 -0.963 12.135 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -6.957 -2.169 11.375 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -4.499 -3.253 10.841 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -4.125 -2.403 12.327 1.00 1.00 H new ATOM 0 HE ARG A 71 -6.484 -3.680 12.991 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -3.442 -4.827 11.509 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -3.600 -6.458 12.170 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -6.670 -5.757 13.824 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -5.442 -6.982 13.489 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.703 1.209 11.948 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.809 2.095 13.094 1.00 1.00 C ATOM 1066 C GLY A 72 -3.402 3.523 12.724 1.00 1.00 C ATOM 1067 O GLY A 72 -3.318 3.862 11.544 1.00 1.00 O ATOM 0 H GLY A 72 -2.751 0.932 11.710 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.833 2.090 13.468 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -3.173 1.730 13.901 1.00 1.00 H new ATOM 1071 N GLU A 73 -3.160 4.322 13.753 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.764 5.705 13.550 1.00 1.00 C ATOM 1073 C GLU A 73 -1.281 5.784 13.184 1.00 1.00 C ATOM 1074 O GLU A 73 -0.416 5.619 14.043 1.00 1.00 O ATOM 1075 CB GLU A 73 -3.069 6.550 14.788 1.00 1.00 C ATOM 1076 CG GLU A 73 -4.414 7.265 14.646 1.00 1.00 C ATOM 1077 CD GLU A 73 -4.276 8.758 14.950 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -3.406 9.430 14.377 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -5.114 9.218 15.817 1.00 1.00 O ATOM 0 H GLU A 73 -3.231 4.038 14.730 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.345 6.111 12.722 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -3.083 5.913 15.673 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -2.277 7.284 14.936 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -4.797 7.130 13.634 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -5.141 6.818 15.324 1.00 1.00 H new ATOM 1087 N LEU A 74 -1.032 6.037 11.907 1.00 1.00 N ATOM 1088 CA LEU A 74 0.332 6.140 11.417 1.00 1.00 C ATOM 1089 C LEU A 74 0.597 7.575 10.956 1.00 1.00 C ATOM 1090 O LEU A 74 -0.319 8.394 10.908 1.00 1.00 O ATOM 1091 CB LEU A 74 0.594 5.089 10.336 1.00 1.00 C ATOM 1092 CG LEU A 74 0.345 3.635 10.741 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.532 2.694 9.549 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.225 3.237 11.928 1.00 1.00 C ATOM 0 H LEU A 74 -1.752 6.174 11.197 1.00 1.00 H new ATOM 0 HA LEU A 74 1.041 5.925 12.217 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -0.033 5.318 9.475 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.630 5.182 10.010 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.692 3.544 11.064 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.349 1.667 9.864 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.171 2.962 8.760 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.551 2.782 9.172 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.028 2.199 12.195 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.275 3.349 11.656 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.000 3.880 12.779 1.00 1.00 H new ATOM 1106 N LYS A 75 1.854 7.835 10.628 1.00 1.00 N ATOM 1107 CA LYS A 75 2.251 9.156 10.173 1.00 1.00 C ATOM 1108 C LYS A 75 1.362 9.575 9.001 1.00 1.00 C ATOM 1109 O LYS A 75 0.790 10.665 9.009 1.00 1.00 O ATOM 1110 CB LYS A 75 3.747 9.186 9.852 1.00 1.00 C ATOM 1111 CG LYS A 75 4.260 10.625 9.761 1.00 1.00 C ATOM 1112 CD LYS A 75 4.633 11.162 11.144 1.00 1.00 C ATOM 1113 CE LYS A 75 3.891 12.467 11.443 1.00 1.00 C ATOM 1114 NZ LYS A 75 2.797 12.231 12.410 1.00 1.00 N ATOM 0 H LYS A 75 2.611 7.153 10.668 1.00 1.00 H new ATOM 0 HA LYS A 75 2.104 9.891 10.964 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.299 8.648 10.623 1.00 1.00 H new ATOM 0 HB3 LYS A 75 3.931 8.670 8.909 1.00 1.00 H new ATOM 0 HG2 LYS A 75 5.130 10.664 9.105 1.00 1.00 H new ATOM 0 HG3 LYS A 75 3.495 11.260 9.314 1.00 1.00 H new ATOM 0 HD2 LYS A 75 4.391 10.419 11.904 1.00 1.00 H new ATOM 0 HD3 LYS A 75 5.709 11.331 11.195 1.00 1.00 H new ATOM 0 HE2 LYS A 75 4.587 13.204 11.845 1.00 1.00 H new ATOM 0 HE3 LYS A 75 3.485 12.881 10.520 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 2.517 13.133 12.845 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 1.981 11.817 11.916 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 3.123 11.576 13.150 1.00 1.00 H new ATOM 1127 N HIS A 76 1.273 8.688 8.021 1.00 1.00 N ATOM 1128 CA HIS A 76 0.463 8.953 6.844 1.00 1.00 C ATOM 1129 C HIS A 76 -0.800 8.090 6.885 1.00 1.00 C ATOM 1130 O HIS A 76 -1.406 7.921 7.942 1.00 1.00 O ATOM 1131 CB HIS A 76 1.279 8.748 5.566 1.00 1.00 C ATOM 1132 CG HIS A 76 2.700 9.251 5.657 1.00 1.00 C ATOM 1133 ND1 HIS A 76 3.194 10.521 5.705 1.00 1.00 N flip ATOM 1134 CD2 HIS A 76 3.793 8.403 5.708 1.00 1.00 C flip ATOM 1135 CE1 HIS A 76 4.518 10.453 5.783 1.00 1.00 C flip ATOM 1136 NE2 HIS A 76 4.891 9.141 5.785 1.00 1.00 N flip ATOM 0 H HIS A 76 1.748 7.785 8.018 1.00 1.00 H new ATOM 0 HA HIS A 76 0.148 9.997 6.842 1.00 1.00 H new ATOM 0 HB2 HIS A 76 1.295 7.685 5.324 1.00 1.00 H new ATOM 0 HB3 HIS A 76 0.777 9.255 4.742 1.00 1.00 H new ATOM 0 HD2 HIS A 76 3.757 7.324 5.688 1.00 1.00 H new ATOM 0 HE1 HIS A 76 5.189 11.298 5.836 1.00 1.00 H new ATOM 0 HE2 HIS A 76 5.847 8.790 5.837 1.00 1.00 H new ATOM 1144 N THR A 77 -1.159 7.566 5.722 1.00 1.00 N ATOM 1145 CA THR A 77 -2.338 6.725 5.613 1.00 1.00 C ATOM 1146 C THR A 77 -1.980 5.386 4.965 1.00 1.00 C ATOM 1147 O THR A 77 -1.787 5.311 3.752 1.00 1.00 O ATOM 1148 CB THR A 77 -3.406 7.505 4.843 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.410 8.789 5.462 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.817 6.968 5.092 1.00 1.00 C ATOM 0 H THR A 77 -0.654 7.708 4.847 1.00 1.00 H new ATOM 0 HA THR A 77 -2.740 6.478 6.596 1.00 1.00 H new ATOM 0 HB THR A 77 -3.186 7.466 3.776 1.00 1.00 H new ATOM 0 HG1 THR A 77 -4.074 9.361 5.024 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.536 7.557 4.522 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.871 5.926 4.777 1.00 1.00 H new ATOM 0 HG23 THR A 77 -5.051 7.038 6.154 1.00 1.00 H new ATOM 1158 N SER A 78 -1.902 4.362 5.802 1.00 1.00 N ATOM 1159 CA SER A 78 -1.570 3.030 5.326 1.00 1.00 C ATOM 1160 C SER A 78 -2.676 2.513 4.403 1.00 1.00 C ATOM 1161 O SER A 78 -3.761 3.089 4.346 1.00 1.00 O ATOM 1162 CB SER A 78 -1.360 2.064 6.494 1.00 1.00 C ATOM 1163 OG SER A 78 -1.538 2.704 7.754 1.00 1.00 O ATOM 0 H SER A 78 -2.063 4.428 6.807 1.00 1.00 H new ATOM 0 HA SER A 78 -0.637 3.090 4.766 1.00 1.00 H new ATOM 0 HB2 SER A 78 -2.060 1.233 6.407 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.356 1.643 6.440 1.00 1.00 H new ATOM 0 HG SER A 78 -2.046 2.116 8.351 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.362 1.433 3.703 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.316 0.832 2.786 1.00 1.00 C ATOM 1171 C CYS A 79 -4.527 0.360 3.593 1.00 1.00 C ATOM 1172 O CYS A 79 -5.627 0.887 3.435 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.687 -0.307 1.981 1.00 1.00 C ATOM 1174 SG CYS A 79 -1.050 0.077 1.258 1.00 1.00 S ATOM 0 H CYS A 79 -1.460 0.958 3.752 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.636 1.573 2.053 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.587 -1.179 2.628 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.368 -0.584 1.176 1.00 1.00 H new ATOM 0 HG CYS A 79 -0.612 -0.956 0.602 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.284 -0.629 4.440 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.340 -1.179 5.273 1.00 1.00 C ATOM 1181 C LEU A 80 -6.076 -0.036 5.976 1.00 1.00 C ATOM 1182 O LEU A 80 -7.216 -0.199 6.407 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.776 -2.229 6.231 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.890 -3.685 5.773 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.263 -4.263 6.119 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.571 -3.817 4.282 1.00 1.00 C ATOM 0 H LEU A 80 -3.370 -1.064 4.568 1.00 1.00 H new ATOM 0 HA LEU A 80 -6.074 -1.703 4.661 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.724 -2.005 6.405 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.286 -2.129 7.189 1.00 1.00 H new ATOM 0 HG LEU A 80 -4.148 -4.272 6.314 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.317 -5.298 5.783 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.413 -4.224 7.198 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -7.039 -3.679 5.623 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.659 -4.861 3.982 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.272 -3.213 3.705 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.555 -3.471 4.095 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.393 1.095 6.070 1.00 1.00 N ATOM 1199 CA ALA A 81 -5.967 2.265 6.714 1.00 1.00 C ATOM 1200 C ALA A 81 -7.161 2.758 5.895 1.00 1.00 C ATOM 1201 O ALA A 81 -8.307 2.629 6.322 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.889 3.338 6.879 1.00 1.00 C ATOM 0 H ALA A 81 -4.447 1.227 5.711 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.332 2.015 7.710 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.320 4.215 7.362 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -4.078 2.947 7.493 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.501 3.617 5.900 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.851 3.313 4.732 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.884 3.826 3.849 1.00 1.00 C ATOM 1210 C CYS A 82 -8.950 2.742 3.675 1.00 1.00 C ATOM 1211 O CYS A 82 -10.123 2.959 3.969 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.307 4.280 2.506 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.646 4.909 1.429 1.00 1.00 S ATOM 0 H CYS A 82 -5.899 3.418 4.381 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.338 4.712 4.293 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.562 5.059 2.666 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.799 3.448 2.019 1.00 1.00 H new ATOM 0 HG CYS A 82 -8.145 5.293 0.293 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.501 1.583 3.191 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.368 0.434 2.958 1.00 1.00 C ATOM 1220 C HIS A 83 -10.345 0.271 4.136 1.00 1.00 C ATOM 1221 O HIS A 83 -11.469 -0.192 3.948 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.495 -0.800 2.686 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.948 -0.950 1.285 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.656 -2.139 0.749 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.647 -0.014 0.324 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.193 -1.952 -0.496 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.166 -0.657 -0.809 1.00 1.00 N ATOM 0 H HIS A 83 -7.524 1.417 2.950 1.00 1.00 H new ATOM 0 HA HIS A 83 -9.991 0.577 2.075 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.654 -0.781 3.379 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -9.081 -1.689 2.919 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.767 -3.041 1.211 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.766 1.054 0.433 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.883 -2.747 -1.158 1.00 1.00 H new ATOM 1235 N SER A 84 -9.882 0.660 5.315 1.00 1.00 N ATOM 1236 CA SER A 84 -10.701 0.562 6.511 1.00 1.00 C ATOM 1237 C SER A 84 -11.990 1.366 6.330 1.00 1.00 C ATOM 1238 O SER A 84 -13.078 0.877 6.628 1.00 1.00 O ATOM 1239 CB SER A 84 -9.938 1.052 7.743 1.00 1.00 C ATOM 1240 OG SER A 84 -10.328 0.358 8.925 1.00 1.00 O ATOM 0 H SER A 84 -8.949 1.044 5.467 1.00 1.00 H new ATOM 0 HA SER A 84 -10.954 -0.487 6.667 1.00 1.00 H new ATOM 0 HB2 SER A 84 -8.868 0.921 7.582 1.00 1.00 H new ATOM 0 HB3 SER A 84 -10.112 2.120 7.876 1.00 1.00 H new ATOM 0 HG SER A 84 -9.817 0.699 9.688 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.824 2.586 5.841 1.00 1.00 N ATOM 1247 CA LYS A 85 -12.961 3.463 5.617 1.00 1.00 C ATOM 1248 C LYS A 85 -13.782 2.934 4.439 1.00 1.00 C ATOM 1249 O LYS A 85 -15.011 2.981 4.465 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.495 4.910 5.442 1.00 1.00 C ATOM 1251 CG LYS A 85 -13.665 5.884 5.593 1.00 1.00 C ATOM 1252 CD LYS A 85 -13.745 6.427 7.022 1.00 1.00 C ATOM 1253 CE LYS A 85 -14.391 5.405 7.960 1.00 1.00 C ATOM 1254 NZ LYS A 85 -14.802 6.053 9.226 1.00 1.00 N ATOM 0 H LYS A 85 -10.920 2.988 5.594 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.617 3.467 6.487 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -11.727 5.141 6.181 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -12.039 5.033 4.460 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -13.548 6.710 4.892 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -14.598 5.380 5.339 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -12.745 6.672 7.379 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -14.322 7.351 7.032 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -15.258 4.955 7.476 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -13.688 4.598 8.169 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -15.239 5.346 9.852 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -13.968 6.461 9.694 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -15.489 6.807 9.023 1.00 1.00 H new ATOM 1267 N VAL A 86 -13.071 2.444 3.435 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.718 1.907 2.251 1.00 1.00 C ATOM 1269 C VAL A 86 -14.734 0.842 2.669 1.00 1.00 C ATOM 1270 O VAL A 86 -15.808 0.738 2.078 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.667 1.379 1.273 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.325 0.658 0.096 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.756 2.507 0.785 1.00 1.00 C ATOM 0 H VAL A 86 -12.052 2.408 3.417 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.265 2.691 1.727 1.00 1.00 H new ATOM 0 HB VAL A 86 -12.049 0.656 1.805 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.555 0.293 -0.584 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.911 -0.183 0.466 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -13.979 1.350 -0.435 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.018 2.104 0.091 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.354 3.265 0.279 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.246 2.957 1.637 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.359 0.078 3.684 1.00 1.00 N ATOM 1284 CA VAL A 87 -15.224 -0.975 4.188 1.00 1.00 C ATOM 1285 C VAL A 87 -16.584 -0.380 4.557 1.00 1.00 C ATOM 1286 O VAL A 87 -17.589 -1.088 4.584 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.548 -1.693 5.358 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -15.508 -2.680 6.024 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -13.267 -2.395 4.904 1.00 1.00 C ATOM 0 H VAL A 87 -13.467 0.167 4.171 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.397 -1.727 3.419 1.00 1.00 H new ATOM 0 HB VAL A 87 -14.274 -0.942 6.099 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -15.002 -3.177 6.852 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -16.379 -2.143 6.400 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.828 -3.425 5.295 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.806 -2.897 5.755 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -13.507 -3.130 4.135 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.573 -1.659 4.498 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.572 0.916 4.831 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.791 1.616 5.197 1.00 1.00 C ATOM 1301 C ALA A 88 -18.515 2.069 3.928 1.00 1.00 C ATOM 1302 O ALA A 88 -19.452 2.864 3.993 1.00 1.00 O ATOM 1303 CB ALA A 88 -17.452 2.784 6.124 1.00 1.00 C ATOM 0 H ALA A 88 -15.736 1.500 4.807 1.00 1.00 H new ATOM 0 HA ALA A 88 -18.464 0.954 5.742 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -18.367 3.309 6.398 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -16.967 2.405 7.024 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.779 3.472 5.612 1.00 1.00 H new ATOM 1437 N ASP A 96 -12.253 -8.251 0.414 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.607 -7.983 -0.859 1.00 1.00 C ATOM 1439 C ASP A 96 -10.543 -6.900 -0.668 1.00 1.00 C ATOM 1440 O ASP A 96 -9.556 -6.858 -1.401 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.615 -7.478 -1.893 1.00 1.00 C ATOM 1442 CG ASP A 96 -12.482 -8.101 -3.284 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -12.593 -7.410 -4.307 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -12.252 -9.370 -3.293 1.00 1.00 O ATOM 0 HA ASP A 96 -11.162 -8.913 -1.213 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.621 -7.669 -1.521 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.509 -6.397 -1.984 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.781 -6.050 0.321 1.00 1.00 N ATOM 1451 CA LEU A 97 -9.855 -4.970 0.617 1.00 1.00 C ATOM 1452 C LEU A 97 -9.114 -5.283 1.918 1.00 1.00 C ATOM 1453 O LEU A 97 -7.992 -4.821 2.124 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.588 -3.627 0.635 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.546 -3.371 -0.530 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -11.988 -1.906 -0.565 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -10.927 -3.814 -1.857 1.00 1.00 C ATOM 0 H LEU A 97 -11.601 -6.088 0.927 1.00 1.00 H new ATOM 0 HA LEU A 97 -9.103 -4.886 -0.167 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.151 -3.555 1.565 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -9.845 -2.830 0.650 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.441 -3.974 -0.375 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -12.668 -1.751 -1.402 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.496 -1.657 0.366 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -11.114 -1.265 -0.684 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -11.629 -3.621 -2.668 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -10.007 -3.257 -2.033 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -10.704 -4.880 -1.816 1.00 1.00 H new ATOM 1469 N THR A 98 -9.770 -6.064 2.763 1.00 1.00 N ATOM 1470 CA THR A 98 -9.186 -6.444 4.039 1.00 1.00 C ATOM 1471 C THR A 98 -9.172 -7.967 4.187 1.00 1.00 C ATOM 1472 O THR A 98 -9.718 -8.506 5.148 1.00 1.00 O ATOM 1473 CB THR A 98 -9.967 -5.733 5.146 1.00 1.00 C ATOM 1474 OG1 THR A 98 -11.152 -6.512 5.290 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.477 -4.357 4.713 1.00 1.00 C ATOM 0 H THR A 98 -10.700 -6.444 2.590 1.00 1.00 H new ATOM 0 HA THR A 98 -8.143 -6.133 4.105 1.00 1.00 H new ATOM 0 HB THR A 98 -9.332 -5.624 6.025 1.00 1.00 H new ATOM 0 HG1 THR A 98 -10.928 -7.376 5.695 1.00 1.00 H new ATOM 0 HG21 THR A 98 -11.024 -3.896 5.536 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.632 -3.725 4.440 1.00 1.00 H new ATOM 0 HG23 THR A 98 -11.139 -4.468 3.854 1.00 1.00 H new ATOM 1483 N GLY A 99 -8.542 -8.617 3.220 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.450 -10.067 3.230 1.00 1.00 C ATOM 1485 C GLY A 99 -6.994 -10.523 3.348 1.00 1.00 C ATOM 1486 O GLY A 99 -6.137 -10.082 2.583 1.00 1.00 O ATOM 0 H GLY A 99 -8.090 -8.166 2.424 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -9.028 -10.466 4.063 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -8.888 -10.469 2.316 1.00 1.00 H new ATOM 1490 N CYS A 100 -6.758 -11.400 4.313 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.421 -11.921 4.541 1.00 1.00 C ATOM 1492 C CYS A 100 -5.080 -12.885 3.403 1.00 1.00 C ATOM 1493 O CYS A 100 -3.918 -13.012 3.019 1.00 1.00 O ATOM 1494 CB CYS A 100 -5.300 -12.590 5.911 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.618 -11.485 7.335 1.00 1.00 S ATOM 0 H CYS A 100 -7.471 -11.763 4.946 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.705 -11.099 4.547 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -5.998 -13.426 5.955 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -4.298 -13.007 6.009 1.00 1.00 H new ATOM 0 HG CYS A 100 -5.491 -12.155 8.441 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.114 -13.541 2.896 1.00 1.00 N ATOM 1501 CA ALA A 101 -5.939 -14.490 1.810 1.00 1.00 C ATOM 1502 C ALA A 101 -7.206 -14.517 0.953 1.00 1.00 C ATOM 1503 O ALA A 101 -8.213 -13.907 1.308 1.00 1.00 O ATOM 1504 CB ALA A 101 -5.593 -15.865 2.385 1.00 1.00 C ATOM 0 H ALA A 101 -7.076 -13.434 3.218 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.113 -14.189 1.166 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -5.462 -16.577 1.571 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -4.670 -15.797 2.960 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -6.401 -16.202 3.035 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.114 -15.232 -0.159 1.00 1.00 N ATOM 1511 CA LYS A 102 -8.241 -15.347 -1.069 1.00 1.00 C ATOM 1512 C LYS A 102 -8.873 -13.968 -1.269 1.00 1.00 C ATOM 1513 O LYS A 102 -10.096 -13.840 -1.296 1.00 1.00 O ATOM 1514 CB LYS A 102 -9.225 -16.408 -0.572 1.00 1.00 C ATOM 1515 CG LYS A 102 -8.804 -17.805 -1.033 1.00 1.00 C ATOM 1516 CD LYS A 102 -8.068 -18.551 0.081 1.00 1.00 C ATOM 1517 CE LYS A 102 -7.496 -19.875 -0.430 1.00 1.00 C ATOM 1518 NZ LYS A 102 -8.529 -20.934 -0.395 1.00 1.00 N ATOM 0 H LYS A 102 -6.277 -15.737 -0.450 1.00 1.00 H new ATOM 0 HA LYS A 102 -7.906 -15.689 -2.048 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -9.276 -16.380 0.516 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -10.225 -16.184 -0.944 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -9.684 -18.372 -1.336 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -8.160 -17.724 -1.909 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -7.262 -17.928 0.469 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -8.751 -18.741 0.909 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -7.129 -19.750 -1.449 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -6.644 -20.170 0.182 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -8.124 -21.826 -0.745 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -8.860 -21.064 0.582 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -9.330 -20.658 -0.998 1.00 1.00 H new ATOM 1531 N SER A 103 -8.010 -12.971 -1.404 1.00 1.00 N ATOM 1532 CA SER A 103 -8.469 -11.606 -1.600 1.00 1.00 C ATOM 1533 C SER A 103 -7.849 -11.024 -2.872 1.00 1.00 C ATOM 1534 O SER A 103 -7.356 -11.765 -3.722 1.00 1.00 O ATOM 1535 CB SER A 103 -8.125 -10.731 -0.394 1.00 1.00 C ATOM 1536 OG SER A 103 -6.727 -10.471 -0.303 1.00 1.00 O ATOM 0 H SER A 103 -6.996 -13.081 -1.382 1.00 1.00 H new ATOM 0 HA SER A 103 -9.554 -11.621 -1.706 1.00 1.00 H new ATOM 0 HB2 SER A 103 -8.665 -9.787 -0.466 1.00 1.00 H new ATOM 0 HB3 SER A 103 -8.462 -11.223 0.518 1.00 1.00 H new ATOM 0 HG SER A 103 -6.477 -10.349 0.637 1.00 1.00 H new ATOM 1542 N LYS A 104 -7.893 -9.703 -2.963 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.342 -9.013 -4.117 1.00 1.00 C ATOM 1544 C LYS A 104 -5.903 -8.590 -3.813 1.00 1.00 C ATOM 1545 O LYS A 104 -5.293 -7.853 -4.586 1.00 1.00 O ATOM 1546 CB LYS A 104 -8.249 -7.853 -4.531 1.00 1.00 C ATOM 1547 CG LYS A 104 -9.723 -8.205 -4.316 1.00 1.00 C ATOM 1548 CD LYS A 104 -10.192 -9.244 -5.337 1.00 1.00 C ATOM 1549 CE LYS A 104 -10.047 -10.663 -4.782 1.00 1.00 C ATOM 1550 NZ LYS A 104 -11.020 -11.573 -5.426 1.00 1.00 N ATOM 0 H LYS A 104 -8.302 -9.092 -2.256 1.00 1.00 H new ATOM 0 HA LYS A 104 -7.304 -9.680 -4.978 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -7.996 -6.964 -3.953 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -8.079 -7.610 -5.580 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -9.865 -8.591 -3.307 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -10.332 -7.305 -4.401 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -11.233 -9.057 -5.599 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -9.610 -9.147 -6.253 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -9.033 -11.025 -4.953 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -10.205 -10.656 -3.704 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -10.908 -12.531 -5.038 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -11.986 -11.235 -5.241 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -10.850 -11.593 -6.452 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.403 -9.076 -2.687 1.00 1.00 N ATOM 1564 CA CYS A 105 -4.047 -8.758 -2.272 1.00 1.00 C ATOM 1565 C CYS A 105 -3.276 -10.068 -2.104 1.00 1.00 C ATOM 1566 O CYS A 105 -2.204 -10.247 -2.678 1.00 1.00 O ATOM 1567 CB CYS A 105 -4.029 -7.917 -0.993 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.564 -6.192 -1.385 1.00 1.00 S ATOM 0 H CYS A 105 -5.912 -9.688 -2.049 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.564 -8.149 -3.036 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -5.011 -7.939 -0.520 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.322 -8.340 -0.280 1.00 1.00 H new ATOM 0 HG CYS A 105 -3.554 -5.486 -0.293 1.00 1.00 H new ATOM 1573 N HIS A 106 -3.856 -10.965 -1.306 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.270 -12.271 -1.026 1.00 1.00 C ATOM 1575 C HIS A 106 -4.137 -13.377 -1.656 1.00 1.00 C ATOM 1576 O HIS A 106 -4.742 -14.196 -0.967 1.00 1.00 O ATOM 1577 CB HIS A 106 -3.071 -12.412 0.491 1.00 1.00 C ATOM 1578 CG HIS A 106 -2.036 -11.514 1.127 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.736 -11.586 0.822 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.154 -10.517 2.065 1.00 1.00 C ATOM 1581 CE1 HIS A 106 -0.071 -10.670 1.543 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -0.899 -9.981 2.327 1.00 1.00 N ATOM 0 H HIS A 106 -4.747 -10.804 -0.836 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.285 -12.372 -1.482 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -4.028 -12.226 0.978 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -2.801 -13.446 0.704 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -3.077 -10.200 2.526 1.00 1.00 H new ATOM 0 HE1 HIS A 106 0.996 -10.512 1.494 1.00 1.00 H new ATOM 0 HE2 HIS A 106 -0.664 -9.229 2.974 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.180 -13.378 -2.990 1.00 1.00 N ATOM 1591 CA PRO A 107 -4.931 -14.329 -3.782 1.00 1.00 C ATOM 1592 C PRO A 107 -4.315 -15.713 -3.635 1.00 1.00 C ATOM 1593 O PRO A 107 -3.699 -16.016 -2.616 1.00 1.00 O ATOM 1594 CB PRO A 107 -4.809 -13.825 -5.218 1.00 1.00 C ATOM 1595 CG PRO A 107 -3.492 -13.055 -5.223 1.00 1.00 C ATOM 1596 CD PRO A 107 -3.481 -12.429 -3.830 1.00 1.00 C ATOM 0 HA PRO A 107 -5.973 -14.410 -3.474 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -4.793 -14.649 -5.931 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -5.648 -13.184 -5.490 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -2.637 -13.712 -5.381 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -3.464 -12.300 -6.009 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.462 -12.265 -3.478 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -3.978 -11.459 -3.829 1.00 1.00 H new