USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 677 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 83 HIS :FLIP no HD1:sc= -3.83! C(o=-6.2!,f=-4.2!) USER MOD Set 1.2: A 85 SER OG : rot -94:sc= -0.404! USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= -0.406 USER MOD Set 2.2: A 75 LYS NZ :NH3+ 167:sc= -0.679 (180deg=-1.47!) USER MOD Set 3.1: A 66 ASN : amide:sc= -5.67! C(o=-44!,f=-51!) USER MOD Set 3.2: A 78 ASN : amide:sc= -38.5! C(o=-44!,f=-59!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00966 X(o=-0.0097,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -4.11! C(o=-4.1!,f=-3.8!) USER MOD Single : A 15 ASN : amide:sc= -13.8! C(o=-14!,f=-29!) USER MOD Single : A 19 SER OG : rot 17:sc= 0.115! USER MOD Single : A 20 GLN : amide:sc= -2.28! C(o=-2.3!,f=-4.6!) USER MOD Single : A 27 GLN : amide:sc= -0.0275 X(o=-0.027,f=0) USER MOD Single : A 29 MET CE :methyl 165:sc= -0.0519 (180deg=-0.196) USER MOD Single : A 34 SER OG : rot 180:sc= -0.106 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 80:sc= -0.515! USER MOD Single : A 43 SER OG : rot -20:sc= 0.135! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.762 K(o=-0.76,f=-2.3!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 66:sc= 0.00249 USER MOD Single : A 58 THR OG1 : rot 69:sc= 1.17 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -163:sc= 0 (180deg=-0.287) USER MOD Single : A 79 HIS :FLIP no HE2:sc= -18.1! C(o=-19!,f=-18!) USER MOD Single : A 80 THR OG1 : rot -33:sc= -3.59! USER MOD Single : A 86 THR OG1 : rot 12:sc= 0.828 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.054 X(o=-0.054,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 29:sc= 0.716 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.982 10.274 14.440 1.00 0.00 N ATOM 2 CA ALA A 1 -4.529 11.658 14.734 1.00 0.00 C ATOM 3 C ALA A 1 -4.798 12.586 13.554 1.00 0.00 C ATOM 4 O ALA A 1 -3.926 12.808 12.713 1.00 0.00 O ATOM 5 CB ALA A 1 -3.048 11.663 15.082 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.787 9.664 15.259 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.004 10.277 14.246 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.473 9.911 13.609 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.096 12.026 15.589 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.728 12.683 15.295 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.878 11.038 15.959 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.475 11.271 14.241 1.00 0.00 H new ATOM 13 N PRO A 2 -6.016 13.143 13.481 1.00 0.00 N ATOM 14 CA PRO A 2 -6.415 14.056 12.405 1.00 0.00 C ATOM 15 C PRO A 2 -5.421 15.194 12.207 1.00 0.00 C ATOM 16 O PRO A 2 -5.207 16.009 13.105 1.00 0.00 O ATOM 17 CB PRO A 2 -7.773 14.607 12.873 1.00 0.00 C ATOM 18 CG PRO A 2 -7.900 14.197 14.303 1.00 0.00 C ATOM 19 CD PRO A 2 -7.104 12.933 14.440 1.00 0.00 C ATOM 0 HA PRO A 2 -6.459 13.545 11.443 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.812 15.691 12.771 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.588 14.201 12.275 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.519 14.973 14.967 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.944 14.032 14.571 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.731 12.796 15.455 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.696 12.051 14.196 1.00 0.00 H new ATOM 27 N ASP A 3 -4.819 15.246 11.023 1.00 0.00 N ATOM 28 CA ASP A 3 -3.852 16.287 10.701 1.00 0.00 C ATOM 29 C ASP A 3 -4.041 16.772 9.267 1.00 0.00 C ATOM 30 O ASP A 3 -4.103 15.971 8.334 1.00 0.00 O ATOM 31 CB ASP A 3 -2.425 15.769 10.894 1.00 0.00 C ATOM 32 CG ASP A 3 -1.894 16.044 12.288 1.00 0.00 C ATOM 33 OD1 ASP A 3 -2.712 16.148 13.225 1.00 0.00 O ATOM 34 OD2 ASP A 3 -0.659 16.155 12.442 1.00 0.00 O ATOM 0 H ASP A 3 -4.985 14.578 10.270 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.017 17.126 11.377 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.402 14.696 10.705 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.769 16.236 10.159 1.00 0.00 H new ATOM 39 N VAL A 4 -4.137 18.088 9.099 1.00 0.00 N ATOM 40 CA VAL A 4 -4.324 18.679 7.780 1.00 0.00 C ATOM 41 C VAL A 4 -3.366 18.069 6.764 1.00 0.00 C ATOM 42 O VAL A 4 -2.150 18.231 6.868 1.00 0.00 O ATOM 43 CB VAL A 4 -4.122 20.208 7.810 1.00 0.00 C ATOM 44 CG1 VAL A 4 -5.167 20.870 8.695 1.00 0.00 C ATOM 45 CG2 VAL A 4 -2.717 20.556 8.282 1.00 0.00 C ATOM 0 H VAL A 4 -4.088 18.764 9.861 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.350 18.465 7.482 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.244 20.589 6.796 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.007 21.948 8.703 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.162 20.654 8.307 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.082 20.483 9.711 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.596 21.639 8.296 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.562 20.161 9.286 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.986 20.118 7.603 1.00 0.00 H new ATOM 55 N GLN A 5 -3.922 17.364 5.782 1.00 0.00 N ATOM 56 CA GLN A 5 -3.115 16.728 4.746 1.00 0.00 C ATOM 57 C GLN A 5 -2.163 15.703 5.354 1.00 0.00 C ATOM 58 O GLN A 5 -1.592 15.929 6.420 1.00 0.00 O ATOM 59 CB GLN A 5 -2.324 17.783 3.974 1.00 0.00 C ATOM 60 CG GLN A 5 -2.901 18.093 2.602 1.00 0.00 C ATOM 61 CD GLN A 5 -1.957 18.912 1.745 1.00 0.00 C ATOM 62 OE1 GLN A 5 -1.668 18.553 0.604 1.00 0.00 O ATOM 63 NE2 GLN A 5 -1.469 20.020 2.292 1.00 0.00 N ATOM 0 H GLN A 5 -4.927 17.219 5.682 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.785 16.211 4.059 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.290 18.701 4.561 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.296 17.441 3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.133 17.159 2.090 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.840 18.634 2.720 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.735 20.280 3.242 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.828 20.611 1.762 1.00 0.00 H new ATOM 72 N ASP A 6 -1.996 14.572 4.673 1.00 0.00 N ATOM 73 CA ASP A 6 -1.113 13.519 5.160 1.00 0.00 C ATOM 74 C ASP A 6 -0.823 12.483 4.077 1.00 0.00 C ATOM 75 O ASP A 6 -1.739 11.874 3.528 1.00 0.00 O ATOM 76 CB ASP A 6 -1.739 12.832 6.375 1.00 0.00 C ATOM 77 CG ASP A 6 -2.777 11.799 5.983 1.00 0.00 C ATOM 78 OD1 ASP A 6 -3.866 12.198 5.520 1.00 0.00 O ATOM 79 OD2 ASP A 6 -2.501 10.590 6.139 1.00 0.00 O ATOM 0 H ASP A 6 -2.458 14.363 3.788 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.169 13.983 5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.956 12.352 6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.201 13.583 7.016 1.00 0.00 H new ATOM 84 N CYS A 7 0.463 12.281 3.790 1.00 0.00 N ATOM 85 CA CYS A 7 0.898 11.308 2.787 1.00 0.00 C ATOM 86 C CYS A 7 -0.125 11.148 1.662 1.00 0.00 C ATOM 87 O CYS A 7 -1.197 10.578 1.855 1.00 0.00 O ATOM 88 CB CYS A 7 1.153 9.953 3.450 1.00 0.00 C ATOM 89 SG CYS A 7 -0.244 9.336 4.445 1.00 0.00 S ATOM 0 H CYS A 7 1.227 12.783 4.242 1.00 0.00 H new ATOM 0 HA CYS A 7 1.821 11.684 2.345 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.386 9.221 2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.033 10.033 4.089 1.00 0.00 H new ATOM 94 N PRO A 8 0.203 11.653 0.462 1.00 0.00 N ATOM 95 CA PRO A 8 -0.680 11.573 -0.703 1.00 0.00 C ATOM 96 C PRO A 8 -0.607 10.228 -1.430 1.00 0.00 C ATOM 97 O PRO A 8 0.153 10.067 -2.384 1.00 0.00 O ATOM 98 CB PRO A 8 -0.149 12.687 -1.599 1.00 0.00 C ATOM 99 CG PRO A 8 1.311 12.745 -1.296 1.00 0.00 C ATOM 100 CD PRO A 8 1.464 12.349 0.151 1.00 0.00 C ATOM 0 HA PRO A 8 -1.729 11.671 -0.423 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.328 12.469 -2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.637 13.637 -1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.869 12.069 -1.944 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.703 13.747 -1.467 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.326 11.699 0.298 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.608 13.220 0.791 1.00 0.00 H new ATOM 108 N GLU A 9 -1.419 9.273 -0.984 1.00 0.00 N ATOM 109 CA GLU A 9 -1.470 7.948 -1.601 1.00 0.00 C ATOM 110 C GLU A 9 -0.096 7.284 -1.667 1.00 0.00 C ATOM 111 O GLU A 9 0.928 7.907 -1.388 1.00 0.00 O ATOM 112 CB GLU A 9 -2.057 8.047 -3.009 1.00 0.00 C ATOM 113 CG GLU A 9 -3.084 6.969 -3.316 1.00 0.00 C ATOM 114 CD GLU A 9 -3.494 6.951 -4.776 1.00 0.00 C ATOM 115 OE1 GLU A 9 -4.226 7.871 -5.198 1.00 0.00 O ATOM 116 OE2 GLU A 9 -3.084 6.017 -5.496 1.00 0.00 O ATOM 0 H GLU A 9 -2.054 9.392 -0.194 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.108 7.327 -0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.521 9.025 -3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.248 7.984 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.675 5.996 -3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.967 7.127 -2.697 1.00 0.00 H new ATOM 123 N CYS A 10 -0.097 6.008 -2.049 1.00 0.00 N ATOM 124 CA CYS A 10 1.130 5.226 -2.172 1.00 0.00 C ATOM 125 C CYS A 10 1.512 5.060 -3.642 1.00 0.00 C ATOM 126 O CYS A 10 0.643 5.045 -4.513 1.00 0.00 O ATOM 127 CB CYS A 10 0.939 3.847 -1.531 1.00 0.00 C ATOM 128 SG CYS A 10 2.109 3.464 -0.186 1.00 0.00 S ATOM 0 H CYS A 10 -0.945 5.490 -2.281 1.00 0.00 H new ATOM 0 HA CYS A 10 1.931 5.756 -1.657 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.077 3.780 -1.141 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.034 3.085 -2.305 1.00 0.00 H new ATOM 133 N THR A 11 2.808 4.937 -3.918 1.00 0.00 N ATOM 134 CA THR A 11 3.272 4.775 -5.297 1.00 0.00 C ATOM 135 C THR A 11 4.633 4.116 -5.361 1.00 0.00 C ATOM 136 O THR A 11 4.902 3.273 -6.217 1.00 0.00 O ATOM 137 CB THR A 11 3.334 6.131 -5.994 1.00 0.00 C ATOM 138 OG1 THR A 11 4.196 6.077 -7.117 1.00 0.00 O ATOM 139 CG2 THR A 11 3.828 7.240 -5.088 1.00 0.00 C ATOM 0 H THR A 11 3.549 4.946 -3.217 1.00 0.00 H new ATOM 0 HA THR A 11 2.557 4.128 -5.805 1.00 0.00 H new ATOM 0 HB THR A 11 2.310 6.354 -6.294 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.222 6.955 -7.552 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.850 8.179 -5.641 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.158 7.337 -4.234 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.832 7.003 -4.736 1.00 0.00 H new ATOM 147 N LEU A 12 5.467 4.536 -4.448 1.00 0.00 N ATOM 148 CA LEU A 12 6.843 4.055 -4.324 1.00 0.00 C ATOM 149 C LEU A 12 7.799 5.229 -4.282 1.00 0.00 C ATOM 150 O LEU A 12 7.642 6.198 -5.024 1.00 0.00 O ATOM 151 CB LEU A 12 7.248 3.142 -5.489 1.00 0.00 C ATOM 152 CG LEU A 12 6.831 1.671 -5.373 1.00 0.00 C ATOM 153 CD1 LEU A 12 5.606 1.521 -4.493 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.577 1.101 -6.759 1.00 0.00 C ATOM 0 H LEU A 12 5.217 5.236 -3.749 1.00 0.00 H new ATOM 0 HA LEU A 12 6.894 3.479 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.821 3.548 -6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.332 3.183 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 12 7.641 1.112 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.332 0.468 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.826 1.901 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.778 2.086 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.281 0.055 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.781 1.665 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.487 1.173 -7.354 1.00 0.00 H new ATOM 166 N GLN A 13 8.802 5.132 -3.428 1.00 0.00 N ATOM 167 CA GLN A 13 9.794 6.185 -3.316 1.00 0.00 C ATOM 168 C GLN A 13 10.977 5.860 -4.175 1.00 0.00 C ATOM 169 O GLN A 13 12.133 6.089 -3.818 1.00 0.00 O ATOM 170 CB GLN A 13 10.217 6.362 -1.887 1.00 0.00 C ATOM 171 CG GLN A 13 9.273 7.265 -1.144 1.00 0.00 C ATOM 172 CD GLN A 13 9.759 8.699 -1.086 1.00 0.00 C ATOM 173 OE1 GLN A 13 10.794 8.995 -0.489 1.00 0.00 O ATOM 174 NE2 GLN A 13 9.008 9.598 -1.714 1.00 0.00 N ATOM 0 H GLN A 13 8.951 4.338 -2.805 1.00 0.00 H new ATOM 0 HA GLN A 13 9.353 7.121 -3.658 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.257 5.390 -1.395 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.224 6.778 -1.853 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.295 7.236 -1.625 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.140 6.889 -0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.158 9.305 -2.196 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.282 10.581 -1.714 1.00 0.00 H new ATOM 183 N GLU A 14 10.640 5.305 -5.304 1.00 0.00 N ATOM 184 CA GLU A 14 11.616 4.885 -6.297 1.00 0.00 C ATOM 185 C GLU A 14 12.935 5.575 -6.077 1.00 0.00 C ATOM 186 O GLU A 14 13.114 6.750 -6.398 1.00 0.00 O ATOM 187 CB GLU A 14 11.138 5.159 -7.702 1.00 0.00 C ATOM 188 CG GLU A 14 12.126 4.730 -8.778 1.00 0.00 C ATOM 189 CD GLU A 14 11.522 4.759 -10.169 1.00 0.00 C ATOM 190 OE1 GLU A 14 10.880 3.761 -10.559 1.00 0.00 O ATOM 191 OE2 GLU A 14 11.692 5.779 -10.868 1.00 0.00 O ATOM 0 H GLU A 14 9.673 5.125 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 14 11.745 3.809 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.192 4.641 -7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.940 6.226 -7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.996 5.386 -8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.480 3.722 -8.560 1.00 0.00 H new ATOM 198 N ASN A 15 13.841 4.830 -5.508 1.00 0.00 N ATOM 199 CA ASN A 15 15.163 5.348 -5.205 1.00 0.00 C ATOM 200 C ASN A 15 16.221 4.919 -6.208 1.00 0.00 C ATOM 201 O ASN A 15 16.433 3.735 -6.452 1.00 0.00 O ATOM 202 CB ASN A 15 15.586 4.981 -3.779 1.00 0.00 C ATOM 203 CG ASN A 15 16.247 3.630 -3.681 1.00 0.00 C ATOM 204 OD1 ASN A 15 17.221 3.344 -4.374 1.00 0.00 O ATOM 205 ND2 ASN A 15 15.722 2.797 -2.798 1.00 0.00 N ATOM 0 H ASN A 15 13.695 3.857 -5.240 1.00 0.00 H new ATOM 0 HA ASN A 15 15.087 6.433 -5.282 1.00 0.00 H new ATOM 0 HB2 ASN A 15 16.272 5.741 -3.404 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.709 4.996 -3.132 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.127 1.870 -2.668 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.913 3.082 -2.247 1.00 0.00 H new ATOM 212 N PRO A 16 16.923 5.910 -6.782 1.00 0.00 N ATOM 213 CA PRO A 16 17.994 5.674 -7.734 1.00 0.00 C ATOM 214 C PRO A 16 19.295 5.404 -7.002 1.00 0.00 C ATOM 215 O PRO A 16 20.369 5.325 -7.599 1.00 0.00 O ATOM 216 CB PRO A 16 18.060 6.987 -8.507 1.00 0.00 C ATOM 217 CG PRO A 16 17.640 8.028 -7.521 1.00 0.00 C ATOM 218 CD PRO A 16 16.741 7.349 -6.513 1.00 0.00 C ATOM 0 HA PRO A 16 17.827 4.811 -8.378 1.00 0.00 H new ATOM 0 HB2 PRO A 16 19.067 7.177 -8.879 1.00 0.00 H new ATOM 0 HB3 PRO A 16 17.398 6.971 -9.373 1.00 0.00 H new ATOM 0 HG2 PRO A 16 18.509 8.465 -7.029 1.00 0.00 H new ATOM 0 HG3 PRO A 16 17.113 8.841 -8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 16 17.024 7.603 -5.491 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.701 7.650 -6.640 1.00 0.00 H new ATOM 226 N PHE A 17 19.166 5.244 -5.692 1.00 0.00 N ATOM 227 CA PHE A 17 20.290 4.955 -4.825 1.00 0.00 C ATOM 228 C PHE A 17 20.559 3.471 -4.870 1.00 0.00 C ATOM 229 O PHE A 17 21.641 3.027 -5.254 1.00 0.00 O ATOM 230 CB PHE A 17 19.979 5.381 -3.392 1.00 0.00 C ATOM 231 CG PHE A 17 21.176 5.899 -2.653 1.00 0.00 C ATOM 232 CD1 PHE A 17 22.238 5.061 -2.357 1.00 0.00 C ATOM 233 CD2 PHE A 17 21.239 7.225 -2.260 1.00 0.00 C ATOM 234 CE1 PHE A 17 23.344 5.537 -1.678 1.00 0.00 C ATOM 235 CE2 PHE A 17 22.342 7.708 -1.581 1.00 0.00 C ATOM 236 CZ PHE A 17 23.396 6.863 -1.290 1.00 0.00 C ATOM 0 H PHE A 17 18.273 5.312 -5.203 1.00 0.00 H new ATOM 0 HA PHE A 17 21.166 5.507 -5.164 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.209 6.153 -3.409 1.00 0.00 H new ATOM 0 HB3 PHE A 17 19.566 4.531 -2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 17 22.202 4.025 -2.660 1.00 0.00 H new ATOM 0 HD2 PHE A 17 20.418 7.889 -2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 17 24.166 4.874 -1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 17 22.380 8.744 -1.278 1.00 0.00 H new ATOM 0 HZ PHE A 17 24.259 7.238 -0.760 1.00 0.00 H new ATOM 246 N PHE A 18 19.540 2.705 -4.510 1.00 0.00 N ATOM 247 CA PHE A 18 19.641 1.262 -4.547 1.00 0.00 C ATOM 248 C PHE A 18 19.813 0.827 -5.998 1.00 0.00 C ATOM 249 O PHE A 18 20.246 -0.289 -6.287 1.00 0.00 O ATOM 250 CB PHE A 18 18.384 0.626 -3.955 1.00 0.00 C ATOM 251 CG PHE A 18 18.256 0.782 -2.469 1.00 0.00 C ATOM 252 CD1 PHE A 18 18.740 1.909 -1.834 1.00 0.00 C ATOM 253 CD2 PHE A 18 17.647 -0.205 -1.710 1.00 0.00 C ATOM 254 CE1 PHE A 18 18.622 2.056 -0.465 1.00 0.00 C ATOM 255 CE2 PHE A 18 17.525 -0.066 -0.341 1.00 0.00 C ATOM 256 CZ PHE A 18 18.013 1.066 0.283 1.00 0.00 C ATOM 0 H PHE A 18 18.639 3.061 -4.191 1.00 0.00 H new ATOM 0 HA PHE A 18 20.497 0.937 -3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 18 17.509 1.067 -4.432 1.00 0.00 H new ATOM 0 HB3 PHE A 18 18.379 -0.436 -4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 18 19.217 2.685 -2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 18 17.264 -1.091 -2.194 1.00 0.00 H new ATOM 0 HE1 PHE A 18 19.005 2.942 0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 18 17.049 -0.841 0.241 1.00 0.00 H new ATOM 0 HZ PHE A 18 17.919 1.177 1.353 1.00 0.00 H new ATOM 266 N SER A 19 19.452 1.744 -6.899 1.00 0.00 N ATOM 267 CA SER A 19 19.531 1.532 -8.338 1.00 0.00 C ATOM 268 C SER A 19 20.302 0.273 -8.693 1.00 0.00 C ATOM 269 O SER A 19 21.428 0.063 -8.243 1.00 0.00 O ATOM 270 CB SER A 19 20.174 2.745 -9.011 1.00 0.00 C ATOM 271 OG SER A 19 21.575 2.775 -8.792 1.00 0.00 O ATOM 0 H SER A 19 19.093 2.664 -6.642 1.00 0.00 H new ATOM 0 HA SER A 19 18.512 1.404 -8.704 1.00 0.00 H new ATOM 0 HB2 SER A 19 19.972 2.719 -10.082 1.00 0.00 H new ATOM 0 HB3 SER A 19 19.724 3.659 -8.624 1.00 0.00 H new ATOM 0 HG SER A 19 21.878 1.894 -8.489 1.00 0.00 H new ATOM 277 N GLN A 20 19.683 -0.552 -9.522 1.00 0.00 N ATOM 278 CA GLN A 20 20.298 -1.792 -9.971 1.00 0.00 C ATOM 279 C GLN A 20 20.739 -1.663 -11.422 1.00 0.00 C ATOM 280 O GLN A 20 20.640 -0.589 -12.013 1.00 0.00 O ATOM 281 CB GLN A 20 19.322 -2.963 -9.813 1.00 0.00 C ATOM 282 CG GLN A 20 18.475 -3.244 -11.047 1.00 0.00 C ATOM 283 CD GLN A 20 18.115 -4.712 -11.180 1.00 0.00 C ATOM 284 OE1 GLN A 20 18.480 -5.530 -10.335 1.00 0.00 O ATOM 285 NE2 GLN A 20 17.396 -5.054 -12.242 1.00 0.00 N ATOM 0 H GLN A 20 18.750 -0.385 -9.900 1.00 0.00 H new ATOM 0 HA GLN A 20 21.175 -1.989 -9.354 1.00 0.00 H new ATOM 0 HB2 GLN A 20 19.887 -3.861 -9.563 1.00 0.00 H new ATOM 0 HB3 GLN A 20 18.660 -2.758 -8.971 1.00 0.00 H new ATOM 0 HG2 GLN A 20 17.561 -2.652 -11.000 1.00 0.00 H new ATOM 0 HG3 GLN A 20 19.017 -2.924 -11.937 1.00 0.00 H new ATOM 0 HE21 GLN A 20 17.115 -4.344 -12.918 1.00 0.00 H new ATOM 0 HE22 GLN A 20 17.125 -6.027 -12.382 1.00 0.00 H new ATOM 294 N PRO A 21 21.233 -2.759 -12.014 1.00 0.00 N ATOM 295 CA PRO A 21 21.692 -2.767 -13.407 1.00 0.00 C ATOM 296 C PRO A 21 20.616 -2.290 -14.378 1.00 0.00 C ATOM 297 O PRO A 21 20.136 -3.056 -15.213 1.00 0.00 O ATOM 298 CB PRO A 21 22.028 -4.238 -13.666 1.00 0.00 C ATOM 299 CG PRO A 21 22.280 -4.821 -12.318 1.00 0.00 C ATOM 300 CD PRO A 21 21.387 -4.073 -11.369 1.00 0.00 C ATOM 0 HA PRO A 21 22.533 -2.090 -13.559 1.00 0.00 H new ATOM 0 HB2 PRO A 21 21.206 -4.748 -14.169 1.00 0.00 H new ATOM 0 HB3 PRO A 21 22.904 -4.335 -14.308 1.00 0.00 H new ATOM 0 HG2 PRO A 21 22.055 -5.888 -12.306 1.00 0.00 H new ATOM 0 HG3 PRO A 21 23.327 -4.713 -12.036 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.427 -4.573 -11.241 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.835 -3.985 -10.379 1.00 0.00 H new ATOM 308 N GLY A 22 20.245 -1.018 -14.266 1.00 0.00 N ATOM 309 CA GLY A 22 19.234 -0.458 -15.143 1.00 0.00 C ATOM 310 C GLY A 22 17.840 -0.514 -14.550 1.00 0.00 C ATOM 311 O GLY A 22 16.914 -1.025 -15.180 1.00 0.00 O ATOM 0 H GLY A 22 20.628 -0.365 -13.582 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.487 0.579 -15.365 1.00 0.00 H new ATOM 0 HA3 GLY A 22 19.242 -0.998 -16.090 1.00 0.00 H new ATOM 315 N ALA A 23 17.684 0.009 -13.337 1.00 0.00 N ATOM 316 CA ALA A 23 16.386 0.007 -12.677 1.00 0.00 C ATOM 317 C ALA A 23 16.392 0.861 -11.426 1.00 0.00 C ATOM 318 O ALA A 23 17.208 0.686 -10.522 1.00 0.00 O ATOM 319 CB ALA A 23 15.958 -1.417 -12.360 1.00 0.00 C ATOM 0 H ALA A 23 18.436 0.436 -12.796 1.00 0.00 H new ATOM 0 HA ALA A 23 15.661 0.446 -13.363 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.986 -1.404 -11.867 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.888 -1.990 -13.284 1.00 0.00 H new ATOM 0 HB3 ALA A 23 16.693 -1.880 -11.701 1.00 0.00 H new ATOM 325 N PRO A 24 15.460 1.809 -11.393 1.00 0.00 N ATOM 326 CA PRO A 24 15.291 2.746 -10.289 1.00 0.00 C ATOM 327 C PRO A 24 14.523 2.144 -9.123 1.00 0.00 C ATOM 328 O PRO A 24 13.314 1.931 -9.194 1.00 0.00 O ATOM 329 CB PRO A 24 14.507 3.878 -10.941 1.00 0.00 C ATOM 330 CG PRO A 24 13.693 3.215 -11.999 1.00 0.00 C ATOM 331 CD PRO A 24 14.486 2.037 -12.471 1.00 0.00 C ATOM 0 HA PRO A 24 16.239 3.056 -9.850 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.873 4.389 -10.216 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.174 4.628 -11.366 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.727 2.899 -11.604 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.492 3.902 -12.821 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.851 1.165 -12.626 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.982 2.244 -13.420 1.00 0.00 H new ATOM 339 N ILE A 25 15.260 1.854 -8.064 1.00 0.00 N ATOM 340 CA ILE A 25 14.723 1.254 -6.859 1.00 0.00 C ATOM 341 C ILE A 25 13.576 2.020 -6.249 1.00 0.00 C ATOM 342 O ILE A 25 13.177 3.062 -6.752 1.00 0.00 O ATOM 343 CB ILE A 25 15.830 1.121 -5.823 1.00 0.00 C ATOM 344 CG1 ILE A 25 16.871 0.166 -6.359 1.00 0.00 C ATOM 345 CG2 ILE A 25 15.251 0.620 -4.524 1.00 0.00 C ATOM 346 CD1 ILE A 25 16.302 -0.724 -7.423 1.00 0.00 C ATOM 0 H ILE A 25 16.263 2.032 -8.019 1.00 0.00 H new ATOM 0 HA ILE A 25 14.330 0.281 -7.155 1.00 0.00 H new ATOM 0 HB ILE A 25 16.296 2.088 -5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 25 17.710 0.731 -6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 25 17.262 -0.443 -5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.046 0.526 -3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.502 1.325 -4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.787 -0.353 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 25 17.078 -1.398 -7.787 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.480 -1.307 -7.008 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.935 -0.115 -8.249 1.00 0.00 H new ATOM 358 N LEU A 26 13.034 1.457 -5.165 1.00 0.00 N ATOM 359 CA LEU A 26 11.905 2.039 -4.475 1.00 0.00 C ATOM 360 C LEU A 26 11.810 1.648 -3.019 1.00 0.00 C ATOM 361 O LEU A 26 12.772 1.232 -2.377 1.00 0.00 O ATOM 362 CB LEU A 26 10.651 1.559 -5.142 1.00 0.00 C ATOM 363 CG LEU A 26 10.878 0.991 -6.516 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.824 -0.037 -6.820 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.879 2.080 -7.565 1.00 0.00 C ATOM 0 H LEU A 26 13.372 0.588 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 26 12.035 3.120 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.185 0.798 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.947 2.388 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 26 11.858 0.514 -6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.992 -0.446 -7.816 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.876 -0.840 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.839 0.429 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.045 1.639 -8.548 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.918 2.594 -7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.674 2.793 -7.348 1.00 0.00 H new ATOM 377 N GLN A 27 10.587 1.790 -2.548 1.00 0.00 N ATOM 378 CA GLN A 27 10.197 1.472 -1.179 1.00 0.00 C ATOM 379 C GLN A 27 8.795 2.011 -0.893 1.00 0.00 C ATOM 380 O GLN A 27 8.621 2.935 -0.099 1.00 0.00 O ATOM 381 CB GLN A 27 11.200 2.049 -0.182 1.00 0.00 C ATOM 382 CG GLN A 27 11.131 1.404 1.193 1.00 0.00 C ATOM 383 CD GLN A 27 11.758 2.260 2.276 1.00 0.00 C ATOM 384 OE1 GLN A 27 11.173 2.458 3.341 1.00 0.00 O ATOM 385 NE2 GLN A 27 12.956 2.769 2.012 1.00 0.00 N ATOM 0 H GLN A 27 9.815 2.138 -3.116 1.00 0.00 H new ATOM 0 HA GLN A 27 10.189 0.388 -1.066 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.207 1.928 -0.581 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.024 3.120 -0.081 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.089 1.211 1.447 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.636 0.438 1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.405 2.579 1.116 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.427 3.350 2.705 1.00 0.00 H new ATOM 394 N CYS A 28 7.807 1.428 -1.571 1.00 0.00 N ATOM 395 CA CYS A 28 6.403 1.826 -1.439 1.00 0.00 C ATOM 396 C CYS A 28 6.183 2.806 -0.285 1.00 0.00 C ATOM 397 O CYS A 28 6.141 2.404 0.878 1.00 0.00 O ATOM 398 CB CYS A 28 5.503 0.600 -1.235 1.00 0.00 C ATOM 399 SG CYS A 28 3.948 0.648 -2.193 1.00 0.00 S ATOM 0 H CYS A 28 7.957 0.664 -2.230 1.00 0.00 H new ATOM 0 HA CYS A 28 6.137 2.328 -2.369 1.00 0.00 H new ATOM 0 HB2 CYS A 28 6.060 -0.296 -1.511 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.262 0.512 -0.176 1.00 0.00 H new ATOM 404 N MET A 29 6.022 4.086 -0.613 1.00 0.00 N ATOM 405 CA MET A 29 5.782 5.110 0.404 1.00 0.00 C ATOM 406 C MET A 29 4.402 5.730 0.224 1.00 0.00 C ATOM 407 O MET A 29 3.755 5.534 -0.804 1.00 0.00 O ATOM 408 CB MET A 29 6.842 6.212 0.338 1.00 0.00 C ATOM 409 CG MET A 29 6.428 7.489 1.056 1.00 0.00 C ATOM 410 SD MET A 29 7.661 8.798 0.929 1.00 0.00 S ATOM 411 CE MET A 29 8.797 8.328 2.231 1.00 0.00 C ATOM 0 H MET A 29 6.053 4.439 -1.570 1.00 0.00 H new ATOM 0 HA MET A 29 5.838 4.624 1.378 1.00 0.00 H new ATOM 0 HB2 MET A 29 7.769 5.842 0.776 1.00 0.00 H new ATOM 0 HB3 MET A 29 7.052 6.442 -0.706 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.485 7.844 0.640 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.249 7.266 2.108 1.00 0.00 H new ATOM 0 HE1 MET A 29 9.734 8.871 2.110 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.360 8.570 3.200 1.00 0.00 H new ATOM 0 HE3 MET A 29 8.989 7.256 2.177 1.00 0.00 H new ATOM 421 N GLY A 30 3.960 6.485 1.223 1.00 0.00 N ATOM 422 CA GLY A 30 2.662 7.128 1.147 1.00 0.00 C ATOM 423 C GLY A 30 1.662 6.540 2.121 1.00 0.00 C ATOM 424 O GLY A 30 1.933 6.439 3.318 1.00 0.00 O ATOM 0 H GLY A 30 4.477 6.663 2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.776 8.193 1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.274 7.035 0.133 1.00 0.00 H new ATOM 428 N CYS A 31 0.501 6.155 1.605 1.00 0.00 N ATOM 429 CA CYS A 31 -0.551 5.575 2.428 1.00 0.00 C ATOM 430 C CYS A 31 -1.808 5.336 1.606 1.00 0.00 C ATOM 431 O CYS A 31 -1.811 5.505 0.387 1.00 0.00 O ATOM 432 CB CYS A 31 -0.869 6.488 3.613 1.00 0.00 C ATOM 433 SG CYS A 31 -1.301 8.193 3.143 1.00 0.00 S ATOM 0 H CYS A 31 0.265 6.235 0.616 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.194 4.617 2.806 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.696 6.058 4.178 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.007 6.514 4.280 1.00 0.00 H new ATOM 438 N CYS A 32 -2.875 4.938 2.283 1.00 0.00 N ATOM 439 CA CYS A 32 -4.142 4.668 1.616 1.00 0.00 C ATOM 440 C CYS A 32 -5.295 5.373 2.315 1.00 0.00 C ATOM 441 O CYS A 32 -5.184 5.779 3.472 1.00 0.00 O ATOM 442 CB CYS A 32 -4.405 3.165 1.572 1.00 0.00 C ATOM 443 SG CYS A 32 -3.580 2.310 0.193 1.00 0.00 S ATOM 0 H CYS A 32 -2.890 4.795 3.293 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.073 5.053 0.599 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.075 2.721 2.511 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.479 2.996 1.500 1.00 0.00 H new ATOM 448 N PHE A 33 -6.406 5.510 1.601 1.00 0.00 N ATOM 449 CA PHE A 33 -7.588 6.159 2.144 1.00 0.00 C ATOM 450 C PHE A 33 -8.558 5.118 2.689 1.00 0.00 C ATOM 451 O PHE A 33 -9.116 5.279 3.774 1.00 0.00 O ATOM 452 CB PHE A 33 -8.282 6.995 1.067 1.00 0.00 C ATOM 453 CG PHE A 33 -7.463 8.151 0.557 1.00 0.00 C ATOM 454 CD1 PHE A 33 -6.086 8.182 0.723 1.00 0.00 C ATOM 455 CD2 PHE A 33 -8.078 9.206 -0.096 1.00 0.00 C ATOM 456 CE1 PHE A 33 -5.341 9.246 0.248 1.00 0.00 C ATOM 457 CE2 PHE A 33 -7.338 10.272 -0.572 1.00 0.00 C ATOM 458 CZ PHE A 33 -5.968 10.292 -0.401 1.00 0.00 C ATOM 0 H PHE A 33 -6.511 5.178 0.642 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.276 6.816 2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.536 6.347 0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.220 7.379 1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.590 7.366 1.229 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -9.149 9.196 -0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.270 9.259 0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.831 11.089 -1.078 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.388 11.123 -0.774 1.00 0.00 H new ATOM 468 N SER A 34 -8.749 4.047 1.924 1.00 0.00 N ATOM 469 CA SER A 34 -9.648 2.971 2.322 1.00 0.00 C ATOM 470 C SER A 34 -11.098 3.338 2.032 1.00 0.00 C ATOM 471 O SER A 34 -11.380 4.393 1.465 1.00 0.00 O ATOM 472 CB SER A 34 -9.473 2.661 3.809 1.00 0.00 C ATOM 473 OG SER A 34 -8.101 2.598 4.159 1.00 0.00 O ATOM 0 H SER A 34 -8.292 3.902 1.024 1.00 0.00 H new ATOM 0 HA SER A 34 -9.396 2.084 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.969 3.428 4.404 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.956 1.713 4.045 1.00 0.00 H new ATOM 0 HG SER A 34 -8.016 2.400 5.115 1.00 0.00 H new ATOM 479 N ARG A 35 -12.015 2.459 2.424 1.00 0.00 N ATOM 480 CA ARG A 35 -13.437 2.694 2.204 1.00 0.00 C ATOM 481 C ARG A 35 -13.722 2.946 0.727 1.00 0.00 C ATOM 482 O ARG A 35 -12.814 2.914 -0.104 1.00 0.00 O ATOM 483 CB ARG A 35 -13.912 3.884 3.038 1.00 0.00 C ATOM 484 CG ARG A 35 -14.814 3.494 4.196 1.00 0.00 C ATOM 485 CD ARG A 35 -15.951 4.486 4.370 1.00 0.00 C ATOM 486 NE ARG A 35 -15.585 5.587 5.258 1.00 0.00 N ATOM 487 CZ ARG A 35 -16.014 5.703 6.513 1.00 0.00 C ATOM 488 NH1 ARG A 35 -16.835 4.797 7.028 1.00 0.00 N ATOM 489 NH2 ARG A 35 -15.622 6.730 7.254 1.00 0.00 N ATOM 0 H ARG A 35 -11.799 1.580 2.894 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.982 1.802 2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.043 4.414 3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -14.446 4.580 2.391 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -15.221 2.498 4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.229 3.444 5.114 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.236 4.885 3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.824 3.971 4.772 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.964 6.310 4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.141 4.006 6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.160 4.892 7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.992 7.430 6.863 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.950 6.820 8.216 1.00 0.00 H new ATOM 503 N ALA A 36 -14.988 3.194 0.406 1.00 0.00 N ATOM 504 CA ALA A 36 -15.389 3.449 -0.973 1.00 0.00 C ATOM 505 C ALA A 36 -15.942 4.861 -1.135 1.00 0.00 C ATOM 506 O ALA A 36 -16.789 5.300 -0.357 1.00 0.00 O ATOM 507 CB ALA A 36 -16.419 2.424 -1.423 1.00 0.00 C ATOM 0 H ALA A 36 -15.752 3.224 1.081 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.503 3.360 -1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.708 2.627 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.990 1.424 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.298 2.485 -0.781 1.00 0.00 H new ATOM 513 N TYR A 37 -15.453 5.568 -2.150 1.00 0.00 N ATOM 514 CA TYR A 37 -15.895 6.931 -2.415 1.00 0.00 C ATOM 515 C TYR A 37 -16.977 6.971 -3.494 1.00 0.00 C ATOM 516 O TYR A 37 -17.989 7.654 -3.339 1.00 0.00 O ATOM 517 CB TYR A 37 -14.710 7.801 -2.835 1.00 0.00 C ATOM 518 CG TYR A 37 -14.594 9.086 -2.045 1.00 0.00 C ATOM 519 CD1 TYR A 37 -13.970 9.104 -0.804 1.00 0.00 C ATOM 520 CD2 TYR A 37 -15.107 10.280 -2.539 1.00 0.00 C ATOM 521 CE1 TYR A 37 -13.860 10.274 -0.077 1.00 0.00 C ATOM 522 CE2 TYR A 37 -15.000 11.454 -1.817 1.00 0.00 C ATOM 523 CZ TYR A 37 -14.377 11.446 -0.588 1.00 0.00 C ATOM 524 OH TYR A 37 -14.269 12.614 0.132 1.00 0.00 O ATOM 0 H TYR A 37 -14.751 5.218 -2.802 1.00 0.00 H new ATOM 0 HA TYR A 37 -16.323 7.324 -1.493 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.790 7.228 -2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.804 8.042 -3.894 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.564 8.188 -0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.597 10.291 -3.502 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.372 10.271 0.886 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.403 12.374 -2.215 1.00 0.00 H new ATOM 0 HH TYR A 37 -14.683 13.347 -0.370 1.00 0.00 H new ATOM 534 N PRO A 38 -16.779 6.245 -4.608 1.00 0.00 N ATOM 535 CA PRO A 38 -17.744 6.216 -5.708 1.00 0.00 C ATOM 536 C PRO A 38 -18.935 5.307 -5.423 1.00 0.00 C ATOM 537 O PRO A 38 -18.914 4.514 -4.482 1.00 0.00 O ATOM 538 CB PRO A 38 -16.922 5.671 -6.873 1.00 0.00 C ATOM 539 CG PRO A 38 -15.908 4.789 -6.231 1.00 0.00 C ATOM 540 CD PRO A 38 -15.598 5.404 -4.889 1.00 0.00 C ATOM 0 HA PRO A 38 -18.182 7.197 -5.892 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -17.545 5.115 -7.573 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.449 6.476 -7.436 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -16.293 3.776 -6.114 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -15.009 4.720 -6.844 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.457 4.642 -4.122 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.683 5.996 -4.922 1.00 0.00 H new ATOM 548 N THR A 39 -19.972 5.430 -6.244 1.00 0.00 N ATOM 549 CA THR A 39 -21.176 4.623 -6.085 1.00 0.00 C ATOM 550 C THR A 39 -21.896 4.974 -4.788 1.00 0.00 C ATOM 551 O THR A 39 -21.807 4.249 -3.797 1.00 0.00 O ATOM 552 CB THR A 39 -20.829 3.133 -6.104 1.00 0.00 C ATOM 553 OG1 THR A 39 -19.444 2.943 -6.339 1.00 0.00 O ATOM 554 CG2 THR A 39 -21.586 2.359 -7.161 1.00 0.00 C ATOM 0 H THR A 39 -20.003 6.082 -7.028 1.00 0.00 H new ATOM 0 HA THR A 39 -21.841 4.841 -6.921 1.00 0.00 H new ATOM 0 HB THR A 39 -21.117 2.755 -5.123 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.948 3.084 -5.505 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.295 1.309 -7.122 1.00 0.00 H new ATOM 0 HG22 THR A 39 -22.657 2.445 -6.978 1.00 0.00 H new ATOM 0 HG23 THR A 39 -21.352 2.764 -8.146 1.00 0.00 H new ATOM 562 N PRO A 40 -22.620 6.102 -4.785 1.00 0.00 N ATOM 563 CA PRO A 40 -23.364 6.566 -3.609 1.00 0.00 C ATOM 564 C PRO A 40 -24.289 5.492 -3.046 1.00 0.00 C ATOM 565 O PRO A 40 -25.414 5.320 -3.514 1.00 0.00 O ATOM 566 CB PRO A 40 -24.182 7.741 -4.149 1.00 0.00 C ATOM 567 CG PRO A 40 -23.406 8.233 -5.322 1.00 0.00 C ATOM 568 CD PRO A 40 -22.768 7.015 -5.931 1.00 0.00 C ATOM 0 HA PRO A 40 -22.700 6.831 -2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -25.184 7.426 -4.441 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -24.300 8.521 -3.397 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -24.057 8.734 -6.039 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -22.652 8.958 -5.016 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.392 6.582 -6.712 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -21.805 7.250 -6.385 1.00 0.00 H new ATOM 576 N LEU A 41 -23.809 4.771 -2.038 1.00 0.00 N ATOM 577 CA LEU A 41 -24.596 3.716 -1.413 1.00 0.00 C ATOM 578 C LEU A 41 -24.793 3.994 0.075 1.00 0.00 C ATOM 579 O LEU A 41 -24.952 3.072 0.874 1.00 0.00 O ATOM 580 CB LEU A 41 -23.913 2.361 -1.608 1.00 0.00 C ATOM 581 CG LEU A 41 -24.859 1.195 -1.902 1.00 0.00 C ATOM 582 CD1 LEU A 41 -25.646 0.823 -0.656 1.00 0.00 C ATOM 583 CD2 LEU A 41 -25.800 1.546 -3.044 1.00 0.00 C ATOM 0 H LEU A 41 -22.880 4.898 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 41 -25.575 3.693 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -23.200 2.446 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -23.341 2.127 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 41 -24.262 0.334 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -26.314 -0.008 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -24.957 0.529 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -26.232 1.681 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -26.465 0.705 -3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -26.391 2.421 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -25.219 1.764 -3.940 1.00 0.00 H new ATOM 595 N ARG A 42 -24.781 5.275 0.436 1.00 0.00 N ATOM 596 CA ARG A 42 -24.957 5.686 1.827 1.00 0.00 C ATOM 597 C ARG A 42 -26.290 5.194 2.379 1.00 0.00 C ATOM 598 O ARG A 42 -27.235 4.954 1.627 1.00 0.00 O ATOM 599 CB ARG A 42 -24.878 7.211 1.937 1.00 0.00 C ATOM 600 CG ARG A 42 -25.043 7.736 3.355 1.00 0.00 C ATOM 601 CD ARG A 42 -24.575 9.177 3.467 1.00 0.00 C ATOM 602 NE ARG A 42 -24.499 9.626 4.854 1.00 0.00 N ATOM 603 CZ ARG A 42 -25.566 9.858 5.611 1.00 0.00 C ATOM 604 NH1 ARG A 42 -26.783 9.662 5.122 1.00 0.00 N ATOM 605 NH2 ARG A 42 -25.414 10.284 6.858 1.00 0.00 N ATOM 0 H ARG A 42 -24.651 6.048 -0.217 1.00 0.00 H new ATOM 0 HA ARG A 42 -24.157 5.239 2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -23.917 7.544 1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -25.649 7.652 1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -26.090 7.667 3.651 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -24.475 7.112 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -23.595 9.276 3.001 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -25.258 9.823 2.915 1.00 0.00 H new ATOM 0 HE ARG A 42 -23.576 9.769 5.264 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -26.901 9.333 4.164 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -27.601 9.840 5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -24.478 10.433 7.235 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -26.233 10.462 7.439 1.00 0.00 H new ATOM 619 N SER A 43 -26.361 5.046 3.698 1.00 0.00 N ATOM 620 CA SER A 43 -27.581 4.582 4.347 1.00 0.00 C ATOM 621 C SER A 43 -28.255 3.496 3.510 1.00 0.00 C ATOM 622 O SER A 43 -27.610 2.528 3.106 1.00 0.00 O ATOM 623 CB SER A 43 -28.537 5.755 4.565 1.00 0.00 C ATOM 624 OG SER A 43 -29.150 6.142 3.348 1.00 0.00 O ATOM 0 H SER A 43 -25.590 5.240 4.337 1.00 0.00 H new ATOM 0 HA SER A 43 -27.320 4.155 5.315 1.00 0.00 H new ATOM 0 HB2 SER A 43 -29.302 5.476 5.289 1.00 0.00 H new ATOM 0 HB3 SER A 43 -27.992 6.600 4.987 1.00 0.00 H new ATOM 0 HG SER A 43 -28.617 5.814 2.594 1.00 0.00 H new ATOM 630 N LYS A 44 -29.551 3.659 3.250 1.00 0.00 N ATOM 631 CA LYS A 44 -30.297 2.686 2.459 1.00 0.00 C ATOM 632 C LYS A 44 -29.997 1.268 2.926 1.00 0.00 C ATOM 633 O LYS A 44 -29.345 0.498 2.221 1.00 0.00 O ATOM 634 CB LYS A 44 -29.945 2.824 0.976 1.00 0.00 C ATOM 635 CG LYS A 44 -31.158 2.890 0.063 1.00 0.00 C ATOM 636 CD LYS A 44 -31.479 4.320 -0.340 1.00 0.00 C ATOM 637 CE LYS A 44 -31.541 4.473 -1.852 1.00 0.00 C ATOM 638 NZ LYS A 44 -30.221 4.849 -2.430 1.00 0.00 N ATOM 0 H LYS A 44 -30.103 4.453 3.575 1.00 0.00 H new ATOM 0 HA LYS A 44 -31.360 2.883 2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.347 3.724 0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -29.324 1.979 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -30.975 2.292 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -32.019 2.452 0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -32.433 4.616 0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -30.721 4.992 0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -31.878 3.537 -2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -32.279 5.233 -2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -30.308 4.943 -3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -29.910 5.755 -2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -29.522 4.112 -2.207 1.00 0.00 H new ATOM 652 N LYS A 45 -30.471 0.929 4.119 1.00 0.00 N ATOM 653 CA LYS A 45 -30.244 -0.397 4.675 1.00 0.00 C ATOM 654 C LYS A 45 -31.323 -0.763 5.688 1.00 0.00 C ATOM 655 O LYS A 45 -31.045 -0.923 6.877 1.00 0.00 O ATOM 656 CB LYS A 45 -28.864 -0.464 5.332 1.00 0.00 C ATOM 657 CG LYS A 45 -28.512 0.774 6.141 1.00 0.00 C ATOM 658 CD LYS A 45 -27.132 0.655 6.767 1.00 0.00 C ATOM 659 CE LYS A 45 -26.846 1.805 7.719 1.00 0.00 C ATOM 660 NZ LYS A 45 -25.423 1.823 8.154 1.00 0.00 N ATOM 0 H LYS A 45 -31.013 1.552 4.717 1.00 0.00 H new ATOM 0 HA LYS A 45 -30.288 -1.117 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -28.824 -1.337 5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -28.110 -0.608 4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -28.546 1.653 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -29.256 0.923 6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -27.057 -0.290 7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -26.376 0.636 5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -27.089 2.749 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -27.492 1.722 8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -25.268 2.622 8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -25.198 0.933 8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.807 1.928 7.323 1.00 0.00 H new ATOM 674 N THR A 46 -32.556 -0.904 5.209 1.00 0.00 N ATOM 675 CA THR A 46 -33.675 -1.261 6.073 1.00 0.00 C ATOM 676 C THR A 46 -33.781 -2.777 6.209 1.00 0.00 C ATOM 677 O THR A 46 -33.568 -3.510 5.244 1.00 0.00 O ATOM 678 CB THR A 46 -34.983 -0.694 5.516 1.00 0.00 C ATOM 679 OG1 THR A 46 -34.725 0.308 4.548 1.00 0.00 O ATOM 680 CG2 THR A 46 -35.870 -0.085 6.581 1.00 0.00 C ATOM 0 H THR A 46 -32.804 -0.776 4.228 1.00 0.00 H new ATOM 0 HA THR A 46 -33.497 -0.831 7.059 1.00 0.00 H new ATOM 0 HB THR A 46 -35.502 -1.545 5.074 1.00 0.00 H new ATOM 0 HG1 THR A 46 -35.574 0.656 4.203 1.00 0.00 H new ATOM 0 HG21 THR A 46 -36.781 0.298 6.121 1.00 0.00 H new ATOM 0 HG22 THR A 46 -36.128 -0.846 7.318 1.00 0.00 H new ATOM 0 HG23 THR A 46 -35.341 0.731 7.072 1.00 0.00 H new ATOM 688 N MET A 47 -34.108 -3.243 7.411 1.00 0.00 N ATOM 689 CA MET A 47 -34.233 -4.674 7.658 1.00 0.00 C ATOM 690 C MET A 47 -33.165 -5.440 6.885 1.00 0.00 C ATOM 691 O MET A 47 -33.429 -6.507 6.330 1.00 0.00 O ATOM 692 CB MET A 47 -35.627 -5.164 7.255 1.00 0.00 C ATOM 693 CG MET A 47 -36.399 -4.161 6.413 1.00 0.00 C ATOM 694 SD MET A 47 -37.862 -4.876 5.640 1.00 0.00 S ATOM 695 CE MET A 47 -37.908 -3.955 4.104 1.00 0.00 C ATOM 0 H MET A 47 -34.290 -2.654 8.224 1.00 0.00 H new ATOM 0 HA MET A 47 -34.092 -4.855 8.724 1.00 0.00 H new ATOM 0 HB2 MET A 47 -35.530 -6.096 6.698 1.00 0.00 H new ATOM 0 HB3 MET A 47 -36.199 -5.389 8.155 1.00 0.00 H new ATOM 0 HG2 MET A 47 -36.699 -3.322 7.040 1.00 0.00 H new ATOM 0 HG3 MET A 47 -35.743 -3.762 5.639 1.00 0.00 H new ATOM 0 HE1 MET A 47 -38.761 -4.282 3.509 1.00 0.00 H new ATOM 0 HE2 MET A 47 -38.003 -2.891 4.320 1.00 0.00 H new ATOM 0 HE3 MET A 47 -36.988 -4.131 3.546 1.00 0.00 H new ATOM 705 N LEU A 48 -31.959 -4.880 6.846 1.00 0.00 N ATOM 706 CA LEU A 48 -30.846 -5.500 6.132 1.00 0.00 C ATOM 707 C LEU A 48 -29.687 -5.801 7.078 1.00 0.00 C ATOM 708 O LEU A 48 -29.325 -4.978 7.918 1.00 0.00 O ATOM 709 CB LEU A 48 -30.372 -4.581 5.001 1.00 0.00 C ATOM 710 CG LEU A 48 -30.319 -5.212 3.604 1.00 0.00 C ATOM 711 CD1 LEU A 48 -28.888 -5.568 3.236 1.00 0.00 C ATOM 712 CD2 LEU A 48 -31.211 -6.442 3.526 1.00 0.00 C ATOM 0 H LEU A 48 -31.727 -3.997 7.301 1.00 0.00 H new ATOM 0 HA LEU A 48 -31.195 -6.442 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -31.032 -3.714 4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -29.377 -4.213 5.251 1.00 0.00 H new ATOM 0 HG LEU A 48 -30.691 -4.480 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -28.868 -6.015 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -28.276 -4.666 3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -28.492 -6.279 3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -31.155 -6.869 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -30.877 -7.180 4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -32.241 -6.159 3.742 1.00 0.00 H new ATOM 724 N VAL A 49 -29.107 -6.989 6.931 1.00 0.00 N ATOM 725 CA VAL A 49 -27.989 -7.405 7.767 1.00 0.00 C ATOM 726 C VAL A 49 -26.830 -6.417 7.669 1.00 0.00 C ATOM 727 O VAL A 49 -26.910 -5.420 6.951 1.00 0.00 O ATOM 728 CB VAL A 49 -27.493 -8.809 7.375 1.00 0.00 C ATOM 729 CG1 VAL A 49 -28.491 -9.869 7.816 1.00 0.00 C ATOM 730 CG2 VAL A 49 -27.249 -8.887 5.876 1.00 0.00 C ATOM 0 H VAL A 49 -29.395 -7.681 6.239 1.00 0.00 H new ATOM 0 HA VAL A 49 -28.351 -7.429 8.795 1.00 0.00 H new ATOM 0 HB VAL A 49 -26.548 -8.998 7.885 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -28.124 -10.855 7.531 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -28.613 -9.826 8.898 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -29.452 -9.686 7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -26.899 -9.886 5.616 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -28.178 -8.678 5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -26.495 -8.153 5.591 1.00 0.00 H new ATOM 740 N GLN A 50 -25.754 -6.698 8.398 1.00 0.00 N ATOM 741 CA GLN A 50 -24.580 -5.832 8.394 1.00 0.00 C ATOM 742 C GLN A 50 -23.322 -6.616 8.750 1.00 0.00 C ATOM 743 O GLN A 50 -22.760 -6.450 9.833 1.00 0.00 O ATOM 744 CB GLN A 50 -24.770 -4.680 9.384 1.00 0.00 C ATOM 745 CG GLN A 50 -25.963 -3.795 9.065 1.00 0.00 C ATOM 746 CD GLN A 50 -26.294 -2.834 10.190 1.00 0.00 C ATOM 747 OE1 GLN A 50 -25.577 -1.860 10.422 1.00 0.00 O ATOM 748 NE2 GLN A 50 -27.384 -3.104 10.897 1.00 0.00 N ATOM 0 H GLN A 50 -25.671 -7.518 8.999 1.00 0.00 H new ATOM 0 HA GLN A 50 -24.462 -5.427 7.389 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -24.890 -5.090 10.387 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -23.867 -4.069 9.395 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -25.758 -3.228 8.157 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -26.831 -4.422 8.860 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -27.949 -3.922 10.670 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -27.657 -2.493 11.667 1.00 0.00 H new ATOM 757 N LYS A 51 -22.884 -7.471 7.833 1.00 0.00 N ATOM 758 CA LYS A 51 -21.691 -8.280 8.057 1.00 0.00 C ATOM 759 C LYS A 51 -21.143 -8.827 6.744 1.00 0.00 C ATOM 760 O LYS A 51 -21.850 -8.886 5.738 1.00 0.00 O ATOM 761 CB LYS A 51 -22.003 -9.435 9.012 1.00 0.00 C ATOM 762 CG LYS A 51 -23.428 -9.952 8.901 1.00 0.00 C ATOM 763 CD LYS A 51 -24.131 -9.937 10.247 1.00 0.00 C ATOM 764 CE LYS A 51 -25.569 -10.413 10.128 1.00 0.00 C ATOM 765 NZ LYS A 51 -26.149 -10.762 11.454 1.00 0.00 N ATOM 0 H LYS A 51 -23.335 -7.622 6.931 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.932 -7.639 8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.312 -10.255 8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.824 -9.107 10.036 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -23.984 -9.339 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.418 -10.968 8.506 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.592 -10.575 10.948 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -24.113 -8.927 10.657 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -26.172 -9.634 9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -25.610 -11.283 9.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -27.131 -11.082 11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -25.589 -11.523 11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -26.133 -9.925 12.071 1.00 0.00 H new ATOM 779 N ASN A 52 -19.878 -9.227 6.765 1.00 0.00 N ATOM 780 CA ASN A 52 -19.224 -9.774 5.583 1.00 0.00 C ATOM 781 C ASN A 52 -17.715 -9.855 5.794 1.00 0.00 C ATOM 782 O ASN A 52 -17.241 -9.877 6.929 1.00 0.00 O ATOM 783 CB ASN A 52 -19.540 -8.917 4.355 1.00 0.00 C ATOM 784 CG ASN A 52 -20.431 -9.638 3.363 1.00 0.00 C ATOM 785 OD1 ASN A 52 -21.144 -10.577 3.719 1.00 0.00 O ATOM 786 ND2 ASN A 52 -20.396 -9.202 2.108 1.00 0.00 N ATOM 0 H ASN A 52 -19.282 -9.183 7.592 1.00 0.00 H new ATOM 0 HA ASN A 52 -19.605 -10.781 5.415 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -20.027 -7.995 4.674 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.609 -8.633 3.864 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -20.975 -9.649 1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.791 -8.421 1.856 1.00 0.00 H new ATOM 793 N VAL A 53 -16.964 -9.902 4.699 1.00 0.00 N ATOM 794 CA VAL A 53 -15.510 -9.984 4.779 1.00 0.00 C ATOM 795 C VAL A 53 -14.856 -8.661 4.389 1.00 0.00 C ATOM 796 O VAL A 53 -13.649 -8.602 4.150 1.00 0.00 O ATOM 797 CB VAL A 53 -14.957 -11.106 3.877 1.00 0.00 C ATOM 798 CG1 VAL A 53 -14.083 -12.055 4.681 1.00 0.00 C ATOM 799 CG2 VAL A 53 -16.092 -11.862 3.202 1.00 0.00 C ATOM 0 H VAL A 53 -17.336 -9.885 3.749 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.267 -10.211 5.817 1.00 0.00 H new ATOM 0 HB VAL A 53 -14.343 -10.650 3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.702 -12.840 4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.247 -11.503 5.111 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -14.672 -12.503 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.680 -12.649 2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.736 -12.306 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.675 -11.173 2.590 1.00 0.00 H new ATOM 809 N THR A 54 -15.656 -7.601 4.329 1.00 0.00 N ATOM 810 CA THR A 54 -15.147 -6.279 3.967 1.00 0.00 C ATOM 811 C THR A 54 -14.563 -5.563 5.182 1.00 0.00 C ATOM 812 O THR A 54 -15.265 -5.293 6.156 1.00 0.00 O ATOM 813 CB THR A 54 -16.257 -5.425 3.346 1.00 0.00 C ATOM 814 OG1 THR A 54 -17.386 -6.219 3.028 1.00 0.00 O ATOM 815 CG2 THR A 54 -15.825 -4.711 2.083 1.00 0.00 C ATOM 0 H THR A 54 -16.657 -7.629 4.525 1.00 0.00 H new ATOM 0 HA THR A 54 -14.353 -6.420 3.233 1.00 0.00 H new ATOM 0 HB THR A 54 -16.503 -4.678 4.101 1.00 0.00 H new ATOM 0 HG1 THR A 54 -18.083 -5.654 2.634 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.657 -4.124 1.694 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.988 -4.050 2.307 1.00 0.00 H new ATOM 0 HG23 THR A 54 -15.518 -5.444 1.337 1.00 0.00 H new ATOM 823 N SER A 55 -13.272 -5.254 5.109 1.00 0.00 N ATOM 824 CA SER A 55 -12.584 -4.565 6.195 1.00 0.00 C ATOM 825 C SER A 55 -11.770 -3.390 5.659 1.00 0.00 C ATOM 826 O SER A 55 -11.196 -3.464 4.573 1.00 0.00 O ATOM 827 CB SER A 55 -11.672 -5.536 6.945 1.00 0.00 C ATOM 828 OG SER A 55 -10.370 -5.546 6.385 1.00 0.00 O ATOM 0 H SER A 55 -12.680 -5.471 4.307 1.00 0.00 H new ATOM 0 HA SER A 55 -13.335 -4.180 6.885 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.618 -5.251 7.996 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.095 -6.540 6.908 1.00 0.00 H new ATOM 0 HG SER A 55 -9.805 -6.173 6.883 1.00 0.00 H new ATOM 834 N GLU A 56 -11.729 -2.307 6.427 1.00 0.00 N ATOM 835 CA GLU A 56 -10.992 -1.113 6.028 1.00 0.00 C ATOM 836 C GLU A 56 -9.703 -0.970 6.832 1.00 0.00 C ATOM 837 O GLU A 56 -9.715 -0.487 7.965 1.00 0.00 O ATOM 838 CB GLU A 56 -11.870 0.128 6.210 1.00 0.00 C ATOM 839 CG GLU A 56 -11.086 1.409 6.449 1.00 0.00 C ATOM 840 CD GLU A 56 -11.231 1.925 7.868 1.00 0.00 C ATOM 841 OE1 GLU A 56 -12.256 2.577 8.161 1.00 0.00 O ATOM 842 OE2 GLU A 56 -10.321 1.677 8.686 1.00 0.00 O ATOM 0 H GLU A 56 -12.198 -2.231 7.330 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.724 -1.211 4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.491 0.254 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.544 -0.036 7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.032 1.230 6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.426 2.174 5.751 1.00 0.00 H new ATOM 849 N SER A 57 -8.592 -1.388 6.236 1.00 0.00 N ATOM 850 CA SER A 57 -7.291 -1.304 6.890 1.00 0.00 C ATOM 851 C SER A 57 -6.204 -1.910 6.011 1.00 0.00 C ATOM 852 O SER A 57 -5.375 -2.689 6.480 1.00 0.00 O ATOM 853 CB SER A 57 -7.322 -2.016 8.242 1.00 0.00 C ATOM 854 OG SER A 57 -7.068 -1.108 9.300 1.00 0.00 O ATOM 0 H SER A 57 -8.566 -1.789 5.299 1.00 0.00 H new ATOM 0 HA SER A 57 -7.064 -0.250 7.051 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.295 -2.486 8.387 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.578 -2.812 8.255 1.00 0.00 H new ATOM 0 HG SER A 57 -7.801 -0.461 9.359 1.00 0.00 H new ATOM 860 N THR A 58 -6.216 -1.550 4.732 1.00 0.00 N ATOM 861 CA THR A 58 -5.234 -2.060 3.784 1.00 0.00 C ATOM 862 C THR A 58 -3.877 -1.390 3.984 1.00 0.00 C ATOM 863 O THR A 58 -3.700 -0.580 4.894 1.00 0.00 O ATOM 864 CB THR A 58 -5.721 -1.843 2.351 1.00 0.00 C ATOM 865 OG1 THR A 58 -5.984 -0.472 2.113 1.00 0.00 O ATOM 866 CG2 THR A 58 -6.981 -2.615 2.026 1.00 0.00 C ATOM 0 H THR A 58 -6.896 -0.906 4.328 1.00 0.00 H new ATOM 0 HA THR A 58 -5.115 -3.129 3.963 1.00 0.00 H new ATOM 0 HB THR A 58 -4.915 -2.207 1.713 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.140 0.026 2.104 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.273 -2.417 0.995 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.797 -3.682 2.153 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.782 -2.303 2.696 1.00 0.00 H new ATOM 874 N CYS A 59 -2.922 -1.740 3.127 1.00 0.00 N ATOM 875 CA CYS A 59 -1.575 -1.182 3.203 1.00 0.00 C ATOM 876 C CYS A 59 -0.777 -1.523 1.946 1.00 0.00 C ATOM 877 O CYS A 59 -0.913 -2.614 1.394 1.00 0.00 O ATOM 878 CB CYS A 59 -0.854 -1.724 4.438 1.00 0.00 C ATOM 879 SG CYS A 59 -0.078 -0.446 5.478 1.00 0.00 S ATOM 0 H CYS A 59 -3.057 -2.410 2.369 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.656 -0.098 3.279 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.567 -2.284 5.043 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.087 -2.428 4.116 1.00 0.00 H new ATOM 884 N CYS A 60 0.059 -0.587 1.501 1.00 0.00 N ATOM 885 CA CYS A 60 0.878 -0.803 0.308 1.00 0.00 C ATOM 886 C CYS A 60 1.824 -1.981 0.509 1.00 0.00 C ATOM 887 O CYS A 60 2.602 -2.015 1.463 1.00 0.00 O ATOM 888 CB CYS A 60 1.688 0.453 -0.049 1.00 0.00 C ATOM 889 SG CYS A 60 1.192 1.968 0.838 1.00 0.00 S ATOM 0 H CYS A 60 0.187 0.323 1.944 1.00 0.00 H new ATOM 0 HA CYS A 60 0.200 -1.025 -0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.741 0.258 0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.599 0.632 -1.121 1.00 0.00 H new ATOM 894 N VAL A 61 1.755 -2.942 -0.403 1.00 0.00 N ATOM 895 CA VAL A 61 2.605 -4.123 -0.344 1.00 0.00 C ATOM 896 C VAL A 61 3.013 -4.547 -1.748 1.00 0.00 C ATOM 897 O VAL A 61 2.409 -5.447 -2.330 1.00 0.00 O ATOM 898 CB VAL A 61 1.897 -5.301 0.354 1.00 0.00 C ATOM 899 CG1 VAL A 61 0.645 -5.705 -0.409 1.00 0.00 C ATOM 900 CG2 VAL A 61 2.846 -6.482 0.499 1.00 0.00 C ATOM 0 H VAL A 61 1.115 -2.926 -1.197 1.00 0.00 H new ATOM 0 HA VAL A 61 3.488 -3.859 0.237 1.00 0.00 H new ATOM 0 HB VAL A 61 1.596 -4.979 1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.161 -6.538 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.041 -4.860 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.917 -6.007 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.330 -7.305 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.180 -6.804 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.709 -6.184 1.095 1.00 0.00 H new ATOM 910 N ALA A 62 4.029 -3.876 -2.289 1.00 0.00 N ATOM 911 CA ALA A 62 4.516 -4.161 -3.636 1.00 0.00 C ATOM 912 C ALA A 62 3.921 -5.452 -4.186 1.00 0.00 C ATOM 913 O ALA A 62 4.355 -6.551 -3.838 1.00 0.00 O ATOM 914 CB ALA A 62 6.036 -4.219 -3.662 1.00 0.00 C ATOM 0 H ALA A 62 4.532 -3.128 -1.812 1.00 0.00 H new ATOM 0 HA ALA A 62 4.190 -3.344 -4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.375 -4.433 -4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.442 -3.261 -3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.382 -5.005 -2.991 1.00 0.00 H new ATOM 920 N LYS A 63 2.936 -5.304 -5.063 1.00 0.00 N ATOM 921 CA LYS A 63 2.285 -6.439 -5.688 1.00 0.00 C ATOM 922 C LYS A 63 3.326 -7.302 -6.362 1.00 0.00 C ATOM 923 O LYS A 63 3.242 -8.530 -6.361 1.00 0.00 O ATOM 924 CB LYS A 63 1.276 -5.958 -6.724 1.00 0.00 C ATOM 925 CG LYS A 63 0.332 -7.049 -7.194 1.00 0.00 C ATOM 926 CD LYS A 63 -0.275 -6.714 -8.546 1.00 0.00 C ATOM 927 CE LYS A 63 -1.754 -7.059 -8.597 1.00 0.00 C ATOM 928 NZ LYS A 63 -2.265 -7.079 -9.995 1.00 0.00 N ATOM 0 H LYS A 63 2.571 -4.398 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 63 1.763 -7.017 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.693 -5.140 -6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.812 -5.556 -7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.870 -7.994 -7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.463 -7.185 -6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.141 -5.652 -8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.253 -7.260 -9.328 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.917 -8.033 -8.136 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.318 -6.331 -8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.277 -7.318 -9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.132 -6.142 -10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.743 -7.791 -10.545 1.00 0.00 H new ATOM 942 N SER A 64 4.319 -6.636 -6.928 1.00 0.00 N ATOM 943 CA SER A 64 5.401 -7.315 -7.601 1.00 0.00 C ATOM 944 C SER A 64 6.697 -6.561 -7.403 1.00 0.00 C ATOM 945 O SER A 64 6.892 -5.472 -7.940 1.00 0.00 O ATOM 946 CB SER A 64 5.105 -7.473 -9.090 1.00 0.00 C ATOM 947 OG SER A 64 3.991 -8.320 -9.300 1.00 0.00 O ATOM 0 H SER A 64 4.393 -5.619 -6.931 1.00 0.00 H new ATOM 0 HA SER A 64 5.500 -8.309 -7.166 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.911 -6.495 -9.531 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.979 -7.884 -9.596 1.00 0.00 H new ATOM 0 HG SER A 64 3.821 -8.404 -10.261 1.00 0.00 H new ATOM 953 N TYR A 65 7.573 -7.149 -6.615 1.00 0.00 N ATOM 954 CA TYR A 65 8.855 -6.548 -6.316 1.00 0.00 C ATOM 955 C TYR A 65 9.918 -7.005 -7.284 1.00 0.00 C ATOM 956 O TYR A 65 9.817 -8.081 -7.873 1.00 0.00 O ATOM 957 CB TYR A 65 9.292 -6.935 -4.914 1.00 0.00 C ATOM 958 CG TYR A 65 9.003 -8.376 -4.564 1.00 0.00 C ATOM 959 CD1 TYR A 65 9.683 -9.409 -5.194 1.00 0.00 C ATOM 960 CD2 TYR A 65 8.054 -8.702 -3.604 1.00 0.00 C ATOM 961 CE1 TYR A 65 9.425 -10.729 -4.879 1.00 0.00 C ATOM 962 CE2 TYR A 65 7.791 -10.020 -3.282 1.00 0.00 C ATOM 963 CZ TYR A 65 8.479 -11.030 -3.922 1.00 0.00 C ATOM 964 OH TYR A 65 8.220 -12.344 -3.606 1.00 0.00 O ATOM 0 H TYR A 65 7.417 -8.052 -6.166 1.00 0.00 H new ATOM 0 HA TYR A 65 8.737 -5.468 -6.399 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.362 -6.753 -4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.790 -6.288 -4.195 1.00 0.00 H new ATOM 0 HD1 TYR A 65 10.426 -9.177 -5.943 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.513 -7.914 -3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.962 -11.521 -5.380 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.050 -10.258 -2.533 1.00 0.00 H new ATOM 0 HH TYR A 65 7.528 -12.384 -2.913 1.00 0.00 H new ATOM 974 N ASN A 66 10.969 -6.211 -7.406 1.00 0.00 N ATOM 975 CA ASN A 66 12.077 -6.596 -8.268 1.00 0.00 C ATOM 976 C ASN A 66 13.345 -6.565 -7.457 1.00 0.00 C ATOM 977 O ASN A 66 14.462 -6.529 -7.968 1.00 0.00 O ATOM 978 CB ASN A 66 12.164 -5.705 -9.500 1.00 0.00 C ATOM 979 CG ASN A 66 13.309 -6.088 -10.419 1.00 0.00 C ATOM 980 OD1 ASN A 66 13.933 -5.230 -11.044 1.00 0.00 O ATOM 981 ND2 ASN A 66 13.590 -7.383 -10.508 1.00 0.00 N ATOM 0 H ASN A 66 11.080 -5.315 -6.931 1.00 0.00 H new ATOM 0 HA ASN A 66 11.916 -7.607 -8.642 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.226 -5.762 -10.052 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.287 -4.668 -9.186 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.348 -7.700 -11.112 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.047 -8.061 -9.972 1.00 0.00 H new ATOM 988 N ARG A 67 13.102 -6.595 -6.170 1.00 0.00 N ATOM 989 CA ARG A 67 14.125 -6.581 -5.136 1.00 0.00 C ATOM 990 C ARG A 67 15.533 -6.443 -5.692 1.00 0.00 C ATOM 991 O ARG A 67 15.986 -7.234 -6.518 1.00 0.00 O ATOM 992 CB ARG A 67 14.011 -7.840 -4.294 1.00 0.00 C ATOM 993 CG ARG A 67 14.003 -7.582 -2.798 1.00 0.00 C ATOM 994 CD ARG A 67 14.481 -8.803 -2.029 1.00 0.00 C ATOM 995 NE ARG A 67 14.160 -10.044 -2.729 1.00 0.00 N ATOM 996 CZ ARG A 67 15.034 -10.734 -3.459 1.00 0.00 C ATOM 997 NH1 ARG A 67 16.289 -10.320 -3.570 1.00 0.00 N ATOM 998 NH2 ARG A 67 14.651 -11.842 -4.078 1.00 0.00 N ATOM 0 H ARG A 67 12.155 -6.631 -5.793 1.00 0.00 H new ATOM 0 HA ARG A 67 13.950 -5.699 -4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.096 -8.366 -4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 67 14.843 -8.502 -4.534 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.644 -6.731 -2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.995 -7.318 -2.477 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.559 -8.739 -1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.021 -8.813 -1.041 1.00 0.00 H new ATOM 0 HE ARG A 67 13.209 -10.404 -2.654 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.589 -9.469 -3.095 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.954 -10.853 -4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.687 -12.165 -3.995 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.320 -12.371 -4.637 1.00 0.00 H new ATOM 1012 N VAL A 68 16.217 -5.428 -5.190 1.00 0.00 N ATOM 1013 CA VAL A 68 17.590 -5.139 -5.572 1.00 0.00 C ATOM 1014 C VAL A 68 18.450 -5.039 -4.328 1.00 0.00 C ATOM 1015 O VAL A 68 19.261 -4.127 -4.190 1.00 0.00 O ATOM 1016 CB VAL A 68 17.703 -3.820 -6.370 1.00 0.00 C ATOM 1017 CG1 VAL A 68 16.670 -3.764 -7.483 1.00 0.00 C ATOM 1018 CG2 VAL A 68 17.554 -2.615 -5.450 1.00 0.00 C ATOM 0 H VAL A 68 15.834 -4.778 -4.503 1.00 0.00 H new ATOM 0 HA VAL A 68 17.933 -5.952 -6.212 1.00 0.00 H new ATOM 0 HB VAL A 68 18.694 -3.790 -6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 68 16.773 -2.825 -8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.826 -4.599 -8.166 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.670 -3.827 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.637 -1.699 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.580 -2.648 -4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 68 18.339 -2.635 -4.694 1.00 0.00 H new ATOM 1028 N THR A 69 18.241 -5.979 -3.417 1.00 0.00 N ATOM 1029 CA THR A 69 18.967 -6.007 -2.155 1.00 0.00 C ATOM 1030 C THR A 69 20.277 -5.247 -2.263 1.00 0.00 C ATOM 1031 O THR A 69 21.148 -5.587 -3.063 1.00 0.00 O ATOM 1032 CB THR A 69 19.238 -7.437 -1.698 1.00 0.00 C ATOM 1033 OG1 THR A 69 18.030 -8.099 -1.364 1.00 0.00 O ATOM 1034 CG2 THR A 69 20.149 -7.499 -0.491 1.00 0.00 C ATOM 0 H THR A 69 17.569 -6.738 -3.530 1.00 0.00 H new ATOM 0 HA THR A 69 18.336 -5.520 -1.411 1.00 0.00 H new ATOM 0 HB THR A 69 19.728 -7.929 -2.538 1.00 0.00 H new ATOM 0 HG1 THR A 69 18.228 -9.014 -1.075 1.00 0.00 H new ATOM 0 HG21 THR A 69 20.308 -8.540 -0.208 1.00 0.00 H new ATOM 0 HG22 THR A 69 21.107 -7.038 -0.734 1.00 0.00 H new ATOM 0 HG23 THR A 69 19.689 -6.964 0.340 1.00 0.00 H new ATOM 1042 N VAL A 70 20.398 -4.210 -1.454 1.00 0.00 N ATOM 1043 CA VAL A 70 21.592 -3.378 -1.447 1.00 0.00 C ATOM 1044 C VAL A 70 22.202 -3.281 -0.068 1.00 0.00 C ATOM 1045 O VAL A 70 21.956 -4.109 0.808 1.00 0.00 O ATOM 1046 CB VAL A 70 21.297 -1.951 -1.923 1.00 0.00 C ATOM 1047 CG1 VAL A 70 22.349 -1.492 -2.923 1.00 0.00 C ATOM 1048 CG2 VAL A 70 19.906 -1.853 -2.522 1.00 0.00 C ATOM 0 H VAL A 70 19.681 -3.921 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 70 22.289 -3.863 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 70 21.336 -1.291 -1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 70 22.122 -0.477 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 70 23.332 -1.511 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 70 22.347 -2.159 -3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 70 19.723 -0.830 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 70 19.828 -2.528 -3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 70 19.166 -2.130 -1.771 1.00 0.00 H new ATOM 1058 N MET A 71 23.011 -2.251 0.093 1.00 0.00 N ATOM 1059 CA MET A 71 23.702 -1.988 1.342 1.00 0.00 C ATOM 1060 C MET A 71 22.988 -2.626 2.533 1.00 0.00 C ATOM 1061 O MET A 71 21.781 -2.457 2.709 1.00 0.00 O ATOM 1062 CB MET A 71 23.855 -0.481 1.570 1.00 0.00 C ATOM 1063 CG MET A 71 22.790 0.360 0.882 1.00 0.00 C ATOM 1064 SD MET A 71 23.289 2.081 0.676 1.00 0.00 S ATOM 1065 CE MET A 71 24.220 1.986 -0.851 1.00 0.00 C ATOM 0 H MET A 71 23.208 -1.571 -0.641 1.00 0.00 H new ATOM 0 HA MET A 71 24.691 -2.440 1.263 1.00 0.00 H new ATOM 0 HB2 MET A 71 23.825 -0.281 2.641 1.00 0.00 H new ATOM 0 HB3 MET A 71 24.837 -0.168 1.214 1.00 0.00 H new ATOM 0 HG2 MET A 71 22.569 -0.069 -0.095 1.00 0.00 H new ATOM 0 HG3 MET A 71 21.869 0.320 1.464 1.00 0.00 H new ATOM 0 HE1 MET A 71 24.838 2.878 -0.957 1.00 0.00 H new ATOM 0 HE2 MET A 71 24.858 1.102 -0.834 1.00 0.00 H new ATOM 0 HE3 MET A 71 23.531 1.920 -1.693 1.00 0.00 H new ATOM 1075 N GLY A 72 23.746 -3.354 3.350 1.00 0.00 N ATOM 1076 CA GLY A 72 23.176 -4.002 4.517 1.00 0.00 C ATOM 1077 C GLY A 72 22.171 -5.079 4.162 1.00 0.00 C ATOM 1078 O GLY A 72 21.393 -5.515 5.011 1.00 0.00 O ATOM 0 H GLY A 72 24.747 -3.506 3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.978 -4.442 5.110 1.00 0.00 H new ATOM 0 HA3 GLY A 72 22.692 -3.252 5.142 1.00 0.00 H new ATOM 1082 N GLY A 73 22.182 -5.511 2.905 1.00 0.00 N ATOM 1083 CA GLY A 73 21.258 -6.539 2.470 1.00 0.00 C ATOM 1084 C GLY A 73 19.821 -6.067 2.499 1.00 0.00 C ATOM 1085 O GLY A 73 18.901 -6.866 2.670 1.00 0.00 O ATOM 0 H GLY A 73 22.814 -5.167 2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 73 21.515 -6.851 1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 73 21.364 -7.415 3.111 1.00 0.00 H new ATOM 1089 N PHE A 74 19.626 -4.764 2.323 1.00 0.00 N ATOM 1090 CA PHE A 74 18.291 -4.188 2.321 1.00 0.00 C ATOM 1091 C PHE A 74 17.449 -4.831 1.231 1.00 0.00 C ATOM 1092 O PHE A 74 17.921 -5.717 0.523 1.00 0.00 O ATOM 1093 CB PHE A 74 18.367 -2.675 2.112 1.00 0.00 C ATOM 1094 CG PHE A 74 19.149 -1.967 3.181 1.00 0.00 C ATOM 1095 CD1 PHE A 74 19.465 -2.612 4.367 1.00 0.00 C ATOM 1096 CD2 PHE A 74 19.569 -0.659 3.001 1.00 0.00 C ATOM 1097 CE1 PHE A 74 20.184 -1.965 5.353 1.00 0.00 C ATOM 1098 CE2 PHE A 74 20.289 -0.007 3.984 1.00 0.00 C ATOM 1099 CZ PHE A 74 20.597 -0.660 5.161 1.00 0.00 C ATOM 0 H PHE A 74 20.377 -4.089 2.180 1.00 0.00 H new ATOM 0 HA PHE A 74 17.822 -4.381 3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 74 18.823 -2.471 1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 74 17.356 -2.268 2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 74 19.145 -3.632 4.522 1.00 0.00 H new ATOM 0 HD2 PHE A 74 19.331 -0.143 2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 74 20.423 -2.478 6.273 1.00 0.00 H new ATOM 0 HE2 PHE A 74 20.611 1.013 3.832 1.00 0.00 H new ATOM 0 HZ PHE A 74 21.160 -0.152 5.930 1.00 0.00 H new ATOM 1109 N LYS A 75 16.205 -4.392 1.101 1.00 0.00 N ATOM 1110 CA LYS A 75 15.318 -4.949 0.089 1.00 0.00 C ATOM 1111 C LYS A 75 14.220 -3.963 -0.298 1.00 0.00 C ATOM 1112 O LYS A 75 13.198 -3.860 0.381 1.00 0.00 O ATOM 1113 CB LYS A 75 14.687 -6.249 0.594 1.00 0.00 C ATOM 1114 CG LYS A 75 15.688 -7.363 0.848 1.00 0.00 C ATOM 1115 CD LYS A 75 16.051 -7.461 2.321 1.00 0.00 C ATOM 1116 CE LYS A 75 16.513 -8.862 2.691 1.00 0.00 C ATOM 1117 NZ LYS A 75 16.730 -9.712 1.488 1.00 0.00 N ATOM 0 H LYS A 75 15.790 -3.660 1.677 1.00 0.00 H new ATOM 0 HA LYS A 75 15.919 -5.155 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 75 14.146 -6.043 1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.954 -6.593 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.271 -8.312 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 75 16.589 -7.185 0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 75 16.840 -6.745 2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.187 -7.190 2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.439 -8.800 3.263 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.770 -9.330 3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.247 -10.572 1.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.811 -9.975 1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.284 -9.183 0.784 1.00 0.00 H new ATOM 1131 N VAL A 76 14.428 -3.258 -1.405 1.00 0.00 N ATOM 1132 CA VAL A 76 13.443 -2.297 -1.899 1.00 0.00 C ATOM 1133 C VAL A 76 12.493 -2.971 -2.823 1.00 0.00 C ATOM 1134 O VAL A 76 11.716 -2.322 -3.524 1.00 0.00 O ATOM 1135 CB VAL A 76 14.100 -1.143 -2.673 1.00 0.00 C ATOM 1136 CG1 VAL A 76 14.763 -0.178 -1.701 1.00 0.00 C ATOM 1137 CG2 VAL A 76 15.125 -1.754 -3.630 1.00 0.00 C ATOM 0 H VAL A 76 15.268 -3.332 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 76 12.930 -1.897 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 76 13.358 -0.579 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.226 0.637 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.013 0.227 -1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 76 15.525 -0.706 -1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.612 -0.960 -4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 76 15.873 -2.303 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.621 -2.434 -4.317 1.00 0.00 H new ATOM 1147 N GLU A 77 12.566 -4.277 -2.815 1.00 0.00 N ATOM 1148 CA GLU A 77 11.710 -5.071 -3.672 1.00 0.00 C ATOM 1149 C GLU A 77 11.333 -4.191 -4.850 1.00 0.00 C ATOM 1150 O GLU A 77 10.164 -4.075 -5.201 1.00 0.00 O ATOM 1151 CB GLU A 77 10.471 -5.500 -2.876 1.00 0.00 C ATOM 1152 CG GLU A 77 10.504 -5.079 -1.416 1.00 0.00 C ATOM 1153 CD GLU A 77 11.134 -6.130 -0.523 1.00 0.00 C ATOM 1154 OE1 GLU A 77 11.479 -7.216 -1.034 1.00 0.00 O ATOM 1155 OE2 GLU A 77 11.282 -5.866 0.689 1.00 0.00 O ATOM 0 H GLU A 77 13.204 -4.815 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 77 12.205 -5.974 -4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.584 -5.077 -3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.374 -6.584 -2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.061 -4.146 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.488 -4.879 -1.076 1.00 0.00 H new ATOM 1162 N ASN A 78 12.362 -3.508 -5.390 1.00 0.00 N ATOM 1163 CA ASN A 78 12.186 -2.520 -6.463 1.00 0.00 C ATOM 1164 C ASN A 78 10.769 -2.601 -6.955 1.00 0.00 C ATOM 1165 O ASN A 78 10.492 -2.917 -8.111 1.00 0.00 O ATOM 1166 CB ASN A 78 13.165 -2.680 -7.625 1.00 0.00 C ATOM 1167 CG ASN A 78 13.946 -3.957 -7.573 1.00 0.00 C ATOM 1168 OD1 ASN A 78 14.250 -4.473 -6.501 1.00 0.00 O ATOM 1169 ND2 ASN A 78 14.299 -4.457 -8.745 1.00 0.00 N ATOM 0 H ASN A 78 13.331 -3.627 -5.094 1.00 0.00 H new ATOM 0 HA ASN A 78 12.402 -1.539 -6.041 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.613 -2.638 -8.564 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.858 -1.839 -7.625 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.852 -5.313 -8.789 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.019 -3.987 -9.605 1.00 0.00 H new ATOM 1176 N HIS A 79 9.883 -2.363 -6.015 1.00 0.00 N ATOM 1177 CA HIS A 79 8.461 -2.446 -6.242 1.00 0.00 C ATOM 1178 C HIS A 79 8.086 -2.233 -7.680 1.00 0.00 C ATOM 1179 O HIS A 79 7.988 -1.112 -8.175 1.00 0.00 O ATOM 1180 CB HIS A 79 7.703 -1.494 -5.339 1.00 0.00 C ATOM 1181 CG HIS A 79 8.002 -1.776 -3.920 1.00 0.00 C ATOM 1182 ND1 HIS A 79 8.810 -2.720 -3.406 1.00 0.00 N flip ATOM 1183 CD2 HIS A 79 7.482 -1.090 -2.861 1.00 0.00 C flip ATOM 1184 CE1 HIS A 79 8.801 -2.627 -2.020 1.00 0.00 C flip ATOM 1185 NE2 HIS A 79 7.986 -1.628 -1.744 1.00 0.00 N flip ATOM 0 H HIS A 79 10.134 -2.104 -5.061 1.00 0.00 H new ATOM 0 HA HIS A 79 8.170 -3.466 -5.990 1.00 0.00 H new ATOM 0 HB2 HIS A 79 7.974 -0.465 -5.576 1.00 0.00 H new ATOM 0 HB3 HIS A 79 6.632 -1.590 -5.517 1.00 0.00 H new ATOM 0 HD1 HIS A 79 9.345 -3.398 -3.949 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.789 -0.263 -2.915 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.345 -3.242 -1.318 1.00 0.00 H new ATOM 1193 N THR A 80 7.843 -3.344 -8.321 1.00 0.00 N ATOM 1194 CA THR A 80 7.430 -3.354 -9.706 1.00 0.00 C ATOM 1195 C THR A 80 5.928 -3.126 -9.771 1.00 0.00 C ATOM 1196 O THR A 80 5.393 -2.678 -10.785 1.00 0.00 O ATOM 1197 CB THR A 80 7.822 -4.677 -10.352 1.00 0.00 C ATOM 1198 OG1 THR A 80 6.778 -5.630 -10.228 1.00 0.00 O ATOM 1199 CG2 THR A 80 9.077 -5.264 -9.741 1.00 0.00 C ATOM 0 H THR A 80 7.925 -4.270 -7.901 1.00 0.00 H new ATOM 0 HA THR A 80 7.929 -2.556 -10.257 1.00 0.00 H new ATOM 0 HB THR A 80 8.011 -4.458 -11.403 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.298 -5.482 -9.386 1.00 0.00 H new ATOM 0 HG21 THR A 80 9.316 -6.206 -10.235 1.00 0.00 H new ATOM 0 HG22 THR A 80 9.905 -4.567 -9.870 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.915 -5.442 -8.678 1.00 0.00 H new ATOM 1207 N ALA A 81 5.259 -3.419 -8.657 1.00 0.00 N ATOM 1208 CA ALA A 81 3.821 -3.230 -8.550 1.00 0.00 C ATOM 1209 C ALA A 81 3.413 -3.134 -7.085 1.00 0.00 C ATOM 1210 O ALA A 81 3.746 -4.010 -6.296 1.00 0.00 O ATOM 1211 CB ALA A 81 3.082 -4.371 -9.235 1.00 0.00 C ATOM 0 H ALA A 81 5.697 -3.790 -7.814 1.00 0.00 H new ATOM 0 HA ALA A 81 3.552 -2.299 -9.049 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.007 -4.214 -9.146 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.358 -4.402 -10.289 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.351 -5.315 -8.762 1.00 0.00 H new ATOM 1217 N CYS A 82 2.695 -2.072 -6.722 1.00 0.00 N ATOM 1218 CA CYS A 82 2.248 -1.891 -5.341 1.00 0.00 C ATOM 1219 C CYS A 82 0.726 -1.887 -5.270 1.00 0.00 C ATOM 1220 O CYS A 82 0.061 -1.160 -6.008 1.00 0.00 O ATOM 1221 CB CYS A 82 2.820 -0.606 -4.737 1.00 0.00 C ATOM 1222 SG CYS A 82 4.118 -0.908 -3.489 1.00 0.00 S ATOM 0 H CYS A 82 2.412 -1.328 -7.360 1.00 0.00 H new ATOM 0 HA CYS A 82 2.621 -2.730 -4.754 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.231 0.011 -5.536 1.00 0.00 H new ATOM 0 HB3 CYS A 82 2.011 -0.037 -4.279 1.00 0.00 H new ATOM 1227 N HIS A 83 0.184 -2.716 -4.385 1.00 0.00 N ATOM 1228 CA HIS A 83 -1.260 -2.826 -4.221 1.00 0.00 C ATOM 1229 C HIS A 83 -1.638 -2.822 -2.748 1.00 0.00 C ATOM 1230 O HIS A 83 -1.191 -3.673 -1.978 1.00 0.00 O ATOM 1231 CB HIS A 83 -1.777 -4.102 -4.894 1.00 0.00 C ATOM 1232 CG HIS A 83 -1.357 -5.367 -4.208 1.00 0.00 C ATOM 1233 ND1 HIS A 83 -0.225 -5.679 -3.531 1.00 0.00 N flip ATOM 1234 CD2 HIS A 83 -2.144 -6.500 -4.176 1.00 0.00 C flip ATOM 1235 CE1 HIS A 83 -0.351 -6.979 -3.108 1.00 0.00 C flip ATOM 1236 NE2 HIS A 83 -1.516 -7.451 -3.508 1.00 0.00 N flip ATOM 0 H HIS A 83 0.725 -3.323 -3.769 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.723 -1.962 -4.698 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.866 -4.065 -4.931 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.424 -4.125 -5.925 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -3.121 -6.595 -4.627 1.00 0.00 H new ATOM 0 HE1 HIS A 83 0.385 -7.527 -2.539 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.872 -8.391 -3.332 1.00 0.00 H new ATOM 1245 N CYS A 84 -2.460 -1.855 -2.360 1.00 0.00 N ATOM 1246 CA CYS A 84 -2.896 -1.733 -0.976 1.00 0.00 C ATOM 1247 C CYS A 84 -3.595 -3.003 -0.503 1.00 0.00 C ATOM 1248 O CYS A 84 -4.585 -3.437 -1.093 1.00 0.00 O ATOM 1249 CB CYS A 84 -3.831 -0.535 -0.816 1.00 0.00 C ATOM 1250 SG CYS A 84 -3.615 0.362 0.753 1.00 0.00 S ATOM 0 H CYS A 84 -2.838 -1.143 -2.985 1.00 0.00 H new ATOM 0 HA CYS A 84 -2.010 -1.580 -0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -3.667 0.155 -1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -4.863 -0.879 -0.888 1.00 0.00 H new ATOM 1255 N SER A 85 -3.075 -3.591 0.568 1.00 0.00 N ATOM 1256 CA SER A 85 -3.648 -4.810 1.128 1.00 0.00 C ATOM 1257 C SER A 85 -2.701 -5.440 2.146 1.00 0.00 C ATOM 1258 O SER A 85 -1.597 -5.862 1.805 1.00 0.00 O ATOM 1259 CB SER A 85 -3.959 -5.811 0.014 1.00 0.00 C ATOM 1260 OG SER A 85 -3.266 -5.482 -1.177 1.00 0.00 O ATOM 0 H SER A 85 -2.256 -3.243 1.067 1.00 0.00 H new ATOM 0 HA SER A 85 -4.575 -4.545 1.637 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.680 -6.815 0.335 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.032 -5.824 -0.178 1.00 0.00 H new ATOM 0 HG SER A 85 -3.846 -4.943 -1.755 1.00 0.00 H new ATOM 1266 N THR A 86 -3.142 -5.499 3.399 1.00 0.00 N ATOM 1267 CA THR A 86 -2.335 -6.078 4.468 1.00 0.00 C ATOM 1268 C THR A 86 -0.971 -5.397 4.553 1.00 0.00 C ATOM 1269 O THR A 86 -0.212 -5.377 3.585 1.00 0.00 O ATOM 1270 CB THR A 86 -2.159 -7.582 4.246 1.00 0.00 C ATOM 1271 OG1 THR A 86 -1.422 -7.833 3.062 1.00 0.00 O ATOM 1272 CG2 THR A 86 -3.472 -8.327 4.135 1.00 0.00 C ATOM 0 H THR A 86 -4.053 -5.153 3.699 1.00 0.00 H new ATOM 0 HA THR A 86 -2.857 -5.917 5.411 1.00 0.00 H new ATOM 0 HB THR A 86 -1.626 -7.943 5.126 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.019 -6.998 2.744 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.276 -9.388 3.978 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.044 -8.195 5.054 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.043 -7.935 3.293 1.00 0.00 H new ATOM 1280 N CYS A 87 -0.672 -4.836 5.719 1.00 0.00 N ATOM 1281 CA CYS A 87 0.594 -4.148 5.938 1.00 0.00 C ATOM 1282 C CYS A 87 1.675 -5.122 6.395 1.00 0.00 C ATOM 1283 O CYS A 87 1.395 -6.286 6.684 1.00 0.00 O ATOM 1284 CB CYS A 87 0.414 -3.040 6.978 1.00 0.00 C ATOM 1285 SG CYS A 87 1.277 -1.486 6.575 1.00 0.00 S ATOM 0 H CYS A 87 -1.291 -4.844 6.529 1.00 0.00 H new ATOM 0 HA CYS A 87 0.910 -3.707 4.993 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.650 -2.832 7.090 1.00 0.00 H new ATOM 0 HB3 CYS A 87 0.772 -3.401 7.942 1.00 0.00 H new ATOM 1290 N TYR A 88 2.910 -4.637 6.462 1.00 0.00 N ATOM 1291 CA TYR A 88 4.034 -5.462 6.890 1.00 0.00 C ATOM 1292 C TYR A 88 4.498 -6.391 5.772 1.00 0.00 C ATOM 1293 O TYR A 88 3.697 -7.111 5.177 1.00 0.00 O ATOM 1294 CB TYR A 88 3.646 -6.287 8.117 1.00 0.00 C ATOM 1295 CG TYR A 88 4.814 -6.614 9.018 1.00 0.00 C ATOM 1296 CD1 TYR A 88 5.628 -5.607 9.519 1.00 0.00 C ATOM 1297 CD2 TYR A 88 5.104 -7.927 9.366 1.00 0.00 C ATOM 1298 CE1 TYR A 88 6.698 -5.897 10.343 1.00 0.00 C ATOM 1299 CE2 TYR A 88 6.173 -8.226 10.190 1.00 0.00 C ATOM 1300 CZ TYR A 88 6.967 -7.208 10.675 1.00 0.00 C ATOM 1301 OH TYR A 88 8.033 -7.503 11.495 1.00 0.00 O ATOM 0 H TYR A 88 3.158 -3.676 6.225 1.00 0.00 H new ATOM 0 HA TYR A 88 4.858 -4.795 7.146 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.897 -5.741 8.690 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.180 -7.216 7.788 1.00 0.00 H new ATOM 0 HD1 TYR A 88 5.421 -4.579 9.260 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.485 -8.727 8.987 1.00 0.00 H new ATOM 0 HE1 TYR A 88 7.320 -5.101 10.725 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.385 -9.252 10.453 1.00 0.00 H new ATOM 0 HH TYR A 88 8.083 -8.472 11.631 1.00 0.00 H new ATOM 1311 N TYR A 89 5.799 -6.377 5.501 1.00 0.00 N ATOM 1312 CA TYR A 89 6.371 -7.228 4.464 1.00 0.00 C ATOM 1313 C TYR A 89 6.654 -8.624 5.014 1.00 0.00 C ATOM 1314 O TYR A 89 6.232 -8.960 6.120 1.00 0.00 O ATOM 1315 CB TYR A 89 7.657 -6.608 3.910 1.00 0.00 C ATOM 1316 CG TYR A 89 7.613 -5.098 3.817 1.00 0.00 C ATOM 1317 CD1 TYR A 89 7.117 -4.466 2.683 1.00 0.00 C ATOM 1318 CD2 TYR A 89 8.067 -4.306 4.863 1.00 0.00 C ATOM 1319 CE1 TYR A 89 7.077 -3.087 2.595 1.00 0.00 C ATOM 1320 CE2 TYR A 89 8.029 -2.927 4.783 1.00 0.00 C ATOM 1321 CZ TYR A 89 7.533 -2.322 3.647 1.00 0.00 C ATOM 1322 OH TYR A 89 7.495 -0.950 3.563 1.00 0.00 O ATOM 0 H TYR A 89 6.476 -5.787 5.984 1.00 0.00 H new ATOM 0 HA TYR A 89 5.648 -7.313 3.653 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.493 -6.900 4.545 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.850 -7.019 2.919 1.00 0.00 H new ATOM 0 HD1 TYR A 89 6.757 -5.062 1.857 1.00 0.00 H new ATOM 0 HD2 TYR A 89 8.456 -4.776 5.754 1.00 0.00 H new ATOM 0 HE1 TYR A 89 6.690 -2.611 1.706 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.386 -2.326 5.606 1.00 0.00 H new ATOM 0 HH TYR A 89 7.852 -0.562 4.389 1.00 0.00 H new ATOM 1332 N HIS A 90 7.363 -9.434 4.234 1.00 0.00 N ATOM 1333 CA HIS A 90 7.695 -10.796 4.644 1.00 0.00 C ATOM 1334 C HIS A 90 6.444 -11.671 4.667 1.00 0.00 C ATOM 1335 O HIS A 90 5.327 -11.176 4.521 1.00 0.00 O ATOM 1336 CB HIS A 90 8.364 -10.793 6.022 1.00 0.00 C ATOM 1337 CG HIS A 90 9.779 -10.300 5.998 1.00 0.00 C ATOM 1338 ND1 HIS A 90 10.763 -10.786 6.835 1.00 0.00 N ATOM 1339 CD2 HIS A 90 10.376 -9.357 5.229 1.00 0.00 C ATOM 1340 CE1 HIS A 90 11.901 -10.164 6.583 1.00 0.00 C ATOM 1341 NE2 HIS A 90 11.693 -9.293 5.613 1.00 0.00 N ATOM 0 H HIS A 90 7.719 -9.172 3.315 1.00 0.00 H new ATOM 0 HA HIS A 90 8.394 -11.210 3.917 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.781 -10.168 6.699 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.347 -11.805 6.428 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.904 -8.766 4.458 1.00 0.00 H new ATOM 0 HE1 HIS A 90 12.841 -10.338 7.085 1.00 0.00 H new ATOM 0 HE2 HIS A 90 12.397 -8.673 5.213 1.00 0.00 H new ATOM 1350 N LYS A 91 6.637 -12.976 4.842 1.00 0.00 N ATOM 1351 CA LYS A 91 5.519 -13.914 4.871 1.00 0.00 C ATOM 1352 C LYS A 91 4.549 -13.623 3.730 1.00 0.00 C ATOM 1353 O LYS A 91 4.832 -12.799 2.860 1.00 0.00 O ATOM 1354 CB LYS A 91 4.785 -13.836 6.213 1.00 0.00 C ATOM 1355 CG LYS A 91 5.386 -14.725 7.290 1.00 0.00 C ATOM 1356 CD LYS A 91 4.363 -15.070 8.361 1.00 0.00 C ATOM 1357 CE LYS A 91 3.608 -13.837 8.827 1.00 0.00 C ATOM 1358 NZ LYS A 91 2.134 -14.033 8.761 1.00 0.00 N ATOM 0 H LYS A 91 7.554 -13.406 4.965 1.00 0.00 H new ATOM 0 HA LYS A 91 5.917 -14.921 4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.791 -12.803 6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.742 -14.115 6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.764 -15.642 6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.237 -14.220 7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.658 -15.803 7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.866 -15.533 9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.897 -13.599 9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.889 -12.984 8.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.654 -13.170 9.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.854 -14.235 7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.862 -14.831 9.370 1.00 0.00 H new ATOM 1372 N SER A 92 3.406 -14.300 3.735 1.00 0.00 N ATOM 1373 CA SER A 92 2.402 -14.103 2.695 1.00 0.00 C ATOM 1374 C SER A 92 1.024 -14.553 3.173 1.00 0.00 C ATOM 1375 O SER A 92 0.798 -15.778 3.259 1.00 0.00 O ATOM 1376 CB SER A 92 2.791 -14.868 1.428 1.00 0.00 C ATOM 1377 OG SER A 92 3.665 -14.100 0.617 1.00 0.00 O ATOM 1378 OXT SER A 92 0.185 -13.674 3.463 1.00 0.00 O ATOM 0 H SER A 92 3.152 -14.987 4.444 1.00 0.00 H new ATOM 0 HA SER A 92 2.357 -13.038 2.468 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.273 -15.807 1.700 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.894 -15.122 0.863 1.00 0.00 H new ATOM 0 HG SER A 92 4.194 -13.500 1.183 1.00 0.00 H new TER 1384 SER A 92