USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 760 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 35 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 91 GLN :FLIP amide:sc= -0.546 F(o=-1.3,f=-0.55) USER MOD Set 2.1: A 17 MET CE :methyl 139:sc= -0.75 (180deg=-0.736) USER MOD Set 2.2: A 77 MET CE :methyl -111:sc= -3.36! (180deg=-5.3!) USER MOD Set 3.1: A 13 LYS NZ :NH3+ -170:sc= 0.0014 (180deg=-0.199) USER MOD Set 3.2: A 80 THR OG1 : rot -88:sc= 0.48 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.0138 (180deg=-0.0882) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.665 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.028) USER MOD Single : A 15 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.36) USER MOD Single : A 20 SER OG : rot -44:sc= 1.19 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.042) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.757 K(o=-0.76,f=-2.1!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -12.4! C(o=-13!,f=-12!) USER MOD Single : A 78 THR OG1 : rot -160:sc= -1.8 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.0392 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -170:sc=-0.00504 (180deg=-0.117) USER MOD Single : B 101 SER OG : rot 180:sc= -0.0316 USER MOD Single : B 102 THR OG1 : rot 180:sc= 0.0549 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.088 9.633 -21.262 1.00 0.00 N ATOM 2 CA MET A 1 -6.556 9.388 -21.382 1.00 0.00 C ATOM 3 C MET A 1 -7.027 8.255 -20.464 1.00 0.00 C ATOM 4 O MET A 1 -8.178 8.251 -20.026 1.00 0.00 O ATOM 5 CB MET A 1 -6.902 9.070 -22.846 1.00 0.00 C ATOM 6 CG MET A 1 -6.345 7.745 -23.353 1.00 0.00 C ATOM 7 SD MET A 1 -7.156 7.184 -24.863 1.00 0.00 S ATOM 8 CE MET A 1 -6.105 5.808 -25.320 1.00 0.00 C ATOM 0 H1 MET A 1 -4.832 10.481 -21.807 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.841 9.777 -20.262 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.568 8.812 -21.633 1.00 0.00 H new ATOM 0 HA MET A 1 -7.077 10.292 -21.067 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.986 9.060 -22.956 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.525 9.874 -23.478 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.276 7.851 -23.537 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.461 6.986 -22.579 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.478 5.355 -26.238 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.087 6.165 -25.478 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.109 5.066 -24.522 1.00 0.00 H new ATOM 20 N LYS A 2 -6.139 7.295 -20.178 1.00 0.00 N ATOM 21 CA LYS A 2 -6.480 6.165 -19.314 1.00 0.00 C ATOM 22 C LYS A 2 -6.999 6.648 -17.962 1.00 0.00 C ATOM 23 O LYS A 2 -6.260 7.258 -17.188 1.00 0.00 O ATOM 24 CB LYS A 2 -5.265 5.258 -19.104 1.00 0.00 C ATOM 25 CG LYS A 2 -4.983 4.335 -20.278 1.00 0.00 C ATOM 26 CD LYS A 2 -3.499 4.020 -20.399 1.00 0.00 C ATOM 27 CE LYS A 2 -3.184 2.602 -19.939 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.888 1.687 -21.080 1.00 0.00 N ATOM 0 H LYS A 2 -5.183 7.280 -20.532 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.267 5.596 -19.809 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.387 5.878 -18.921 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.422 4.656 -18.209 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.543 3.408 -20.156 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.333 4.800 -21.200 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.184 4.145 -21.435 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.926 4.731 -19.804 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.329 2.624 -19.263 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.029 2.210 -19.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.680 0.735 -20.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.712 1.644 -21.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.065 2.044 -21.607 1.00 0.00 H new ATOM 42 N GLU A 3 -8.273 6.374 -17.688 1.00 0.00 N ATOM 43 CA GLU A 3 -8.893 6.783 -16.434 1.00 0.00 C ATOM 44 C GLU A 3 -9.084 5.583 -15.509 1.00 0.00 C ATOM 45 O GLU A 3 -10.102 4.891 -15.580 1.00 0.00 O ATOM 46 CB GLU A 3 -10.239 7.460 -16.706 1.00 0.00 C ATOM 47 CG GLU A 3 -10.494 8.688 -15.842 1.00 0.00 C ATOM 48 CD GLU A 3 -10.910 8.345 -14.421 1.00 0.00 C ATOM 49 OE1 GLU A 3 -11.721 7.410 -14.244 1.00 0.00 O ATOM 50 OE2 GLU A 3 -10.426 9.016 -13.486 1.00 0.00 O ATOM 0 H GLU A 3 -8.895 5.870 -18.320 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.232 7.496 -15.940 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.284 7.750 -17.756 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.039 6.738 -16.540 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.591 9.297 -15.812 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.272 9.295 -16.305 1.00 0.00 H new ATOM 57 N PRO A 4 -8.101 5.311 -14.630 1.00 0.00 N ATOM 58 CA PRO A 4 -8.171 4.182 -13.696 1.00 0.00 C ATOM 59 C PRO A 4 -9.208 4.397 -12.590 1.00 0.00 C ATOM 60 O PRO A 4 -9.993 5.346 -12.637 1.00 0.00 O ATOM 61 CB PRO A 4 -6.760 4.121 -13.109 1.00 0.00 C ATOM 62 CG PRO A 4 -6.243 5.512 -13.223 1.00 0.00 C ATOM 63 CD PRO A 4 -6.842 6.073 -14.482 1.00 0.00 C ATOM 0 HA PRO A 4 -8.481 3.262 -14.192 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -6.777 3.789 -12.071 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -6.133 3.419 -13.658 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -6.529 6.107 -12.356 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -5.154 5.521 -13.271 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -7.028 7.144 -14.396 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -6.183 5.931 -15.339 1.00 0.00 H new ATOM 71 N GLU A 5 -9.202 3.508 -11.595 1.00 0.00 N ATOM 72 CA GLU A 5 -10.136 3.595 -10.480 1.00 0.00 C ATOM 73 C GLU A 5 -9.399 3.508 -9.149 1.00 0.00 C ATOM 74 O GLU A 5 -8.976 2.430 -8.725 1.00 0.00 O ATOM 75 CB GLU A 5 -11.186 2.488 -10.575 1.00 0.00 C ATOM 76 CG GLU A 5 -12.431 2.758 -9.745 1.00 0.00 C ATOM 77 CD GLU A 5 -13.661 2.067 -10.298 1.00 0.00 C ATOM 78 OE1 GLU A 5 -13.678 0.817 -10.329 1.00 0.00 O ATOM 79 OE2 GLU A 5 -14.609 2.774 -10.700 1.00 0.00 O ATOM 0 H GLU A 5 -8.558 2.719 -11.542 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.639 4.561 -10.533 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.475 2.361 -11.618 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.741 1.547 -10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.260 2.424 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.610 3.832 -9.704 1.00 0.00 H new ATOM 86 N ILE A 6 -9.251 4.654 -8.498 1.00 0.00 N ATOM 87 CA ILE A 6 -8.569 4.731 -7.213 1.00 0.00 C ATOM 88 C ILE A 6 -9.579 4.731 -6.068 1.00 0.00 C ATOM 89 O ILE A 6 -10.608 5.407 -6.137 1.00 0.00 O ATOM 90 CB ILE A 6 -7.689 5.996 -7.125 1.00 0.00 C ATOM 91 CG1 ILE A 6 -6.721 6.058 -8.310 1.00 0.00 C ATOM 92 CG2 ILE A 6 -6.922 6.030 -5.809 1.00 0.00 C ATOM 93 CD1 ILE A 6 -6.555 7.451 -8.877 1.00 0.00 C ATOM 0 H ILE A 6 -9.597 5.550 -8.842 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.928 3.853 -7.127 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.341 6.869 -7.163 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.747 5.684 -7.994 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.078 5.394 -9.097 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.308 6.930 -5.769 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.626 6.033 -4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.282 5.151 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.856 7.423 -9.713 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.520 7.820 -9.223 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.169 8.115 -8.104 1.00 0.00 H new ATOM 105 N ILE A 7 -9.277 3.968 -5.017 1.00 0.00 N ATOM 106 CA ILE A 7 -10.156 3.875 -3.853 1.00 0.00 C ATOM 107 C ILE A 7 -9.353 3.669 -2.571 1.00 0.00 C ATOM 108 O ILE A 7 -8.275 3.069 -2.591 1.00 0.00 O ATOM 109 CB ILE A 7 -11.178 2.720 -3.992 1.00 0.00 C ATOM 110 CG1 ILE A 7 -10.463 1.397 -4.298 1.00 0.00 C ATOM 111 CG2 ILE A 7 -12.208 3.033 -5.070 1.00 0.00 C ATOM 112 CD1 ILE A 7 -10.764 0.298 -3.300 1.00 0.00 C ATOM 0 H ILE A 7 -8.429 3.405 -4.949 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.697 4.820 -3.799 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.701 2.616 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.751 1.060 -5.294 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.387 1.572 -4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.915 2.207 -5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.744 3.945 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.703 3.171 -6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.224 -0.606 -3.581 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.450 0.614 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.835 0.094 -3.295 1.00 0.00 H new ATOM 124 N THR A 8 -9.891 4.165 -1.457 1.00 0.00 N ATOM 125 CA THR A 8 -9.233 4.035 -0.160 1.00 0.00 C ATOM 126 C THR A 8 -10.046 3.142 0.776 1.00 0.00 C ATOM 127 O THR A 8 -11.257 3.322 0.929 1.00 0.00 O ATOM 128 CB THR A 8 -9.026 5.414 0.478 1.00 0.00 C ATOM 129 OG1 THR A 8 -8.506 6.335 -0.466 1.00 0.00 O ATOM 130 CG2 THR A 8 -8.080 5.389 1.660 1.00 0.00 C ATOM 0 H THR A 8 -10.782 4.661 -1.428 1.00 0.00 H new ATOM 0 HA THR A 8 -8.260 3.571 -0.321 1.00 0.00 H new ATOM 0 HB THR A 8 -10.013 5.721 0.825 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.383 7.208 -0.038 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.977 6.396 2.065 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.477 4.727 2.430 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.104 5.026 1.337 1.00 0.00 H new ATOM 138 N VAL A 9 -9.368 2.180 1.400 1.00 0.00 N ATOM 139 CA VAL A 9 -10.010 1.250 2.325 1.00 0.00 C ATOM 140 C VAL A 9 -9.728 1.634 3.774 1.00 0.00 C ATOM 141 O VAL A 9 -8.579 1.612 4.217 1.00 0.00 O ATOM 142 CB VAL A 9 -9.549 -0.206 2.086 1.00 0.00 C ATOM 143 CG1 VAL A 9 -10.183 -0.759 0.820 1.00 0.00 C ATOM 144 CG2 VAL A 9 -8.027 -0.299 2.016 1.00 0.00 C ATOM 0 H VAL A 9 -8.367 2.025 1.280 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.082 1.312 2.137 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.878 -0.810 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.849 -1.785 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.268 -0.741 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.886 -0.148 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.733 -1.335 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.662 0.320 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.598 0.052 2.954 1.00 0.00 H new ATOM 154 N THR A 10 -10.784 1.983 4.505 1.00 0.00 N ATOM 155 CA THR A 10 -10.656 2.370 5.906 1.00 0.00 C ATOM 156 C THR A 10 -11.158 1.251 6.820 1.00 0.00 C ATOM 157 O THR A 10 -12.362 1.110 7.040 1.00 0.00 O ATOM 158 CB THR A 10 -11.429 3.665 6.177 1.00 0.00 C ATOM 159 OG1 THR A 10 -11.109 4.655 5.213 1.00 0.00 O ATOM 160 CG2 THR A 10 -11.153 4.253 7.545 1.00 0.00 C ATOM 0 H THR A 10 -11.739 2.005 4.149 1.00 0.00 H new ATOM 0 HA THR A 10 -9.601 2.544 6.119 1.00 0.00 H new ATOM 0 HB THR A 10 -12.482 3.387 6.123 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.615 5.473 5.404 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.732 5.168 7.671 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.437 3.535 8.314 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.091 4.480 7.636 1.00 0.00 H new ATOM 168 N LEU A 11 -10.226 0.454 7.341 1.00 0.00 N ATOM 169 CA LEU A 11 -10.567 -0.660 8.226 1.00 0.00 C ATOM 170 C LEU A 11 -9.778 -0.581 9.532 1.00 0.00 C ATOM 171 O LEU A 11 -8.695 0.002 9.575 1.00 0.00 O ATOM 172 CB LEU A 11 -10.288 -1.996 7.528 1.00 0.00 C ATOM 173 CG LEU A 11 -10.986 -2.181 6.177 1.00 0.00 C ATOM 174 CD1 LEU A 11 -10.145 -3.046 5.249 1.00 0.00 C ATOM 175 CD2 LEU A 11 -12.370 -2.787 6.369 1.00 0.00 C ATOM 0 H LEU A 11 -9.227 0.559 7.165 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.629 -0.593 8.460 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.212 -2.093 7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.593 -2.805 8.191 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.101 -1.200 5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.660 -3.164 4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.179 -2.569 5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.993 -4.025 5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.851 -2.911 5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.278 -3.758 6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.974 -2.126 6.991 1.00 0.00 H new ATOM 187 N LYS A 12 -10.324 -1.172 10.595 1.00 0.00 N ATOM 188 CA LYS A 12 -9.660 -1.165 11.898 1.00 0.00 C ATOM 189 C LYS A 12 -8.711 -2.357 12.033 1.00 0.00 C ATOM 190 O LYS A 12 -8.912 -3.398 11.404 1.00 0.00 O ATOM 191 CB LYS A 12 -10.693 -1.181 13.030 1.00 0.00 C ATOM 192 CG LYS A 12 -10.786 0.135 13.790 1.00 0.00 C ATOM 193 CD LYS A 12 -11.974 0.969 13.331 1.00 0.00 C ATOM 194 CE LYS A 12 -11.662 1.731 12.049 1.00 0.00 C ATOM 195 NZ LYS A 12 -12.350 3.054 11.997 1.00 0.00 N ATOM 0 H LYS A 12 -11.220 -1.659 10.580 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.074 -0.249 11.972 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.672 -1.420 12.614 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.440 -1.978 13.730 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.874 -0.067 14.857 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.866 0.703 13.648 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.834 0.320 13.169 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.250 1.673 14.116 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.585 1.880 11.970 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.965 1.132 11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.108 3.536 11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.379 2.912 12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.043 3.637 12.801 1.00 0.00 H new ATOM 209 N LYS A 13 -7.675 -2.195 12.858 1.00 0.00 N ATOM 210 CA LYS A 13 -6.687 -3.250 13.079 1.00 0.00 C ATOM 211 C LYS A 13 -7.282 -4.404 13.882 1.00 0.00 C ATOM 212 O LYS A 13 -7.476 -4.298 15.095 1.00 0.00 O ATOM 213 CB LYS A 13 -5.457 -2.690 13.802 1.00 0.00 C ATOM 214 CG LYS A 13 -4.258 -3.627 13.785 1.00 0.00 C ATOM 215 CD LYS A 13 -2.965 -2.884 14.086 1.00 0.00 C ATOM 216 CE LYS A 13 -2.511 -2.039 12.903 1.00 0.00 C ATOM 217 NZ LYS A 13 -2.070 -2.875 11.749 1.00 0.00 N ATOM 0 H LYS A 13 -7.499 -1.340 13.385 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.384 -3.631 12.104 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.174 -1.744 13.340 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.722 -2.473 14.837 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.403 -4.419 14.520 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.184 -4.107 12.809 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.108 -2.244 14.957 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.185 -3.601 14.342 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.328 -1.390 12.588 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.691 -1.392 13.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.614 -2.270 11.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.393 -3.592 12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.895 -3.346 11.326 1.00 0.00 H new ATOM 231 N GLN A 14 -7.563 -5.507 13.192 1.00 0.00 N ATOM 232 CA GLN A 14 -8.132 -6.695 13.825 1.00 0.00 C ATOM 233 C GLN A 14 -7.036 -7.686 14.221 1.00 0.00 C ATOM 234 O GLN A 14 -7.111 -8.315 15.278 1.00 0.00 O ATOM 235 CB GLN A 14 -9.129 -7.365 12.880 1.00 0.00 C ATOM 236 CG GLN A 14 -10.314 -7.990 13.599 1.00 0.00 C ATOM 237 CD GLN A 14 -10.442 -9.479 13.337 1.00 0.00 C ATOM 238 OE1 GLN A 14 -11.525 -9.972 13.026 1.00 0.00 O ATOM 239 NE2 GLN A 14 -9.337 -10.207 13.464 1.00 0.00 N ATOM 0 H GLN A 14 -7.405 -5.603 12.189 1.00 0.00 H new ATOM 0 HA GLN A 14 -8.651 -6.382 14.731 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.494 -6.627 12.166 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.614 -8.135 12.306 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.213 -7.822 14.671 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.230 -7.490 13.283 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.458 -9.759 13.724 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.368 -11.214 13.302 1.00 0.00 H new ATOM 248 N ASN A 15 -6.022 -7.818 13.364 1.00 0.00 N ATOM 249 CA ASN A 15 -4.904 -8.727 13.614 1.00 0.00 C ATOM 250 C ASN A 15 -3.701 -8.355 12.738 1.00 0.00 C ATOM 251 O ASN A 15 -3.045 -9.223 12.158 1.00 0.00 O ATOM 252 CB ASN A 15 -5.333 -10.178 13.353 1.00 0.00 C ATOM 253 CG ASN A 15 -4.292 -11.183 13.812 1.00 0.00 C ATOM 254 OD1 ASN A 15 -3.742 -11.933 13.006 1.00 0.00 O ATOM 255 ND2 ASN A 15 -4.012 -11.203 15.112 1.00 0.00 N ATOM 0 H ASN A 15 -5.953 -7.303 12.486 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.607 -8.634 14.659 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.274 -10.374 13.867 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.518 -10.313 12.287 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.318 -11.857 15.474 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.491 -10.564 15.747 1.00 0.00 H new ATOM 262 N GLY A 16 -3.425 -7.052 12.639 1.00 0.00 N ATOM 263 CA GLY A 16 -2.314 -6.584 11.826 1.00 0.00 C ATOM 264 C GLY A 16 -2.624 -6.652 10.340 1.00 0.00 C ATOM 265 O GLY A 16 -3.495 -7.415 9.919 1.00 0.00 O ATOM 0 H GLY A 16 -3.952 -6.315 13.108 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.073 -5.557 12.099 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.431 -7.186 12.039 1.00 0.00 H new ATOM 269 N MET A 17 -1.910 -5.857 9.542 1.00 0.00 N ATOM 270 CA MET A 17 -2.117 -5.840 8.095 1.00 0.00 C ATOM 271 C MET A 17 -1.738 -7.187 7.483 1.00 0.00 C ATOM 272 O MET A 17 -2.557 -7.827 6.820 1.00 0.00 O ATOM 273 CB MET A 17 -1.302 -4.716 7.444 1.00 0.00 C ATOM 274 CG MET A 17 -2.069 -3.410 7.307 1.00 0.00 C ATOM 275 SD MET A 17 -1.735 -2.568 5.746 1.00 0.00 S ATOM 276 CE MET A 17 -0.063 -1.988 6.017 1.00 0.00 C ATOM 0 H MET A 17 -1.186 -5.219 9.872 1.00 0.00 H new ATOM 0 HA MET A 17 -3.175 -5.656 7.906 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.404 -4.540 8.036 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.974 -5.041 6.456 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.137 -3.611 7.386 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.807 -2.751 8.134 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.522 -2.125 5.107 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.083 -0.930 6.280 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.392 -2.555 6.829 1.00 0.00 H new ATOM 286 N GLY A 18 -0.496 -7.616 7.724 1.00 0.00 N ATOM 287 CA GLY A 18 -0.024 -8.889 7.206 1.00 0.00 C ATOM 288 C GLY A 18 -0.043 -8.953 5.691 1.00 0.00 C ATOM 289 O GLY A 18 -0.948 -9.544 5.106 1.00 0.00 O ATOM 0 H GLY A 18 0.192 -7.099 8.272 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.992 -9.065 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.644 -9.691 7.606 1.00 0.00 H new ATOM 293 N LEU A 19 0.957 -8.344 5.057 1.00 0.00 N ATOM 294 CA LEU A 19 1.057 -8.341 3.596 1.00 0.00 C ATOM 295 C LEU A 19 2.479 -8.012 3.141 1.00 0.00 C ATOM 296 O LEU A 19 3.356 -7.746 3.960 1.00 0.00 O ATOM 297 CB LEU A 19 0.065 -7.344 2.989 1.00 0.00 C ATOM 298 CG LEU A 19 0.357 -5.879 3.304 1.00 0.00 C ATOM 299 CD1 LEU A 19 1.274 -5.276 2.250 1.00 0.00 C ATOM 300 CD2 LEU A 19 -0.934 -5.082 3.411 1.00 0.00 C ATOM 0 H LEU A 19 1.710 -7.846 5.531 1.00 0.00 H new ATOM 0 HA LEU A 19 0.809 -9.342 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.057 -7.474 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.936 -7.585 3.346 1.00 0.00 H new ATOM 0 HG LEU A 19 0.865 -5.833 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.470 -4.232 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.215 -5.826 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.795 -5.338 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.701 -4.041 3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.475 -5.137 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.552 -5.496 4.208 1.00 0.00 H new ATOM 312 N SER A 20 2.693 -8.029 1.826 1.00 0.00 N ATOM 313 CA SER A 20 4.001 -7.731 1.248 1.00 0.00 C ATOM 314 C SER A 20 3.900 -6.606 0.218 1.00 0.00 C ATOM 315 O SER A 20 2.846 -6.404 -0.390 1.00 0.00 O ATOM 316 CB SER A 20 4.585 -8.986 0.599 1.00 0.00 C ATOM 317 OG SER A 20 5.556 -9.589 1.437 1.00 0.00 O ATOM 0 H SER A 20 1.972 -8.247 1.138 1.00 0.00 H new ATOM 0 HA SER A 20 4.662 -7.401 2.050 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.786 -9.698 0.393 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.037 -8.727 -0.359 1.00 0.00 H new ATOM 0 HG SER A 20 6.139 -8.897 1.813 1.00 0.00 H new ATOM 323 N ILE A 21 5.000 -5.872 0.029 1.00 0.00 N ATOM 324 CA ILE A 21 5.026 -4.761 -0.923 1.00 0.00 C ATOM 325 C ILE A 21 6.384 -4.630 -1.618 1.00 0.00 C ATOM 326 O ILE A 21 7.402 -5.108 -1.115 1.00 0.00 O ATOM 327 CB ILE A 21 4.682 -3.420 -0.232 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.505 -3.238 1.047 1.00 0.00 C ATOM 329 CG2 ILE A 21 3.194 -3.353 0.080 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.954 -2.895 0.789 1.00 0.00 C ATOM 0 H ILE A 21 5.880 -6.027 0.521 1.00 0.00 H new ATOM 0 HA ILE A 21 4.270 -4.987 -1.675 1.00 0.00 H new ATOM 0 HB ILE A 21 4.933 -2.609 -0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.055 -2.449 1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.456 -4.155 1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.966 -2.404 0.566 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.624 -3.432 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.924 -4.174 0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.476 -2.781 1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.420 -3.694 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.013 -1.962 0.229 1.00 0.00 H new ATOM 342 N VAL A 22 6.383 -3.971 -2.779 1.00 0.00 N ATOM 343 CA VAL A 22 7.606 -3.759 -3.555 1.00 0.00 C ATOM 344 C VAL A 22 7.531 -2.460 -4.361 1.00 0.00 C ATOM 345 O VAL A 22 6.477 -2.106 -4.892 1.00 0.00 O ATOM 346 CB VAL A 22 7.886 -4.945 -4.513 1.00 0.00 C ATOM 347 CG1 VAL A 22 6.644 -5.307 -5.316 1.00 0.00 C ATOM 348 CG2 VAL A 22 9.057 -4.631 -5.441 1.00 0.00 C ATOM 0 H VAL A 22 5.545 -3.574 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 22 8.425 -3.688 -2.840 1.00 0.00 H new ATOM 0 HB VAL A 22 8.156 -5.808 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.870 -6.142 -5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.841 -5.591 -4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.331 -4.448 -5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.234 -5.478 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.823 -3.748 -6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.951 -4.442 -4.847 1.00 0.00 H new ATOM 358 N ALA A 23 8.659 -1.754 -4.442 1.00 0.00 N ATOM 359 CA ALA A 23 8.732 -0.494 -5.177 1.00 0.00 C ATOM 360 C ALA A 23 8.885 -0.736 -6.677 1.00 0.00 C ATOM 361 O ALA A 23 9.473 -1.735 -7.097 1.00 0.00 O ATOM 362 CB ALA A 23 9.884 0.355 -4.656 1.00 0.00 C ATOM 0 H ALA A 23 9.537 -2.036 -4.006 1.00 0.00 H new ATOM 0 HA ALA A 23 7.797 0.043 -5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.927 1.291 -5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.729 0.568 -3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.822 -0.186 -4.784 1.00 0.00 H new ATOM 368 N ALA A 24 8.355 0.186 -7.479 1.00 0.00 N ATOM 369 CA ALA A 24 8.432 0.076 -8.933 1.00 0.00 C ATOM 370 C ALA A 24 8.537 1.450 -9.589 1.00 0.00 C ATOM 371 O ALA A 24 7.808 2.377 -9.230 1.00 0.00 O ATOM 372 CB ALA A 24 7.221 -0.674 -9.472 1.00 0.00 C ATOM 0 H ALA A 24 7.868 1.018 -7.145 1.00 0.00 H new ATOM 0 HA ALA A 24 9.334 -0.484 -9.179 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.292 -0.748 -10.557 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.191 -1.675 -9.041 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.311 -0.137 -9.204 1.00 0.00 H new ATOM 378 N LYS A 25 9.446 1.571 -10.557 1.00 0.00 N ATOM 379 CA LYS A 25 9.649 2.828 -11.275 1.00 0.00 C ATOM 380 C LYS A 25 9.385 2.651 -12.771 1.00 0.00 C ATOM 381 O LYS A 25 9.051 1.556 -13.228 1.00 0.00 O ATOM 382 CB LYS A 25 11.074 3.346 -11.048 1.00 0.00 C ATOM 383 CG LYS A 25 11.130 4.815 -10.662 1.00 0.00 C ATOM 384 CD LYS A 25 12.528 5.230 -10.235 1.00 0.00 C ATOM 385 CE LYS A 25 12.609 6.728 -9.973 1.00 0.00 C ATOM 386 NZ LYS A 25 13.462 7.047 -8.792 1.00 0.00 N ATOM 0 H LYS A 25 10.054 0.811 -10.862 1.00 0.00 H new ATOM 0 HA LYS A 25 8.940 3.559 -10.886 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.547 2.754 -10.264 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.656 3.195 -11.957 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.811 5.426 -11.507 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.430 5.005 -9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.811 4.686 -9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.243 4.956 -11.011 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.010 7.228 -10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.606 7.122 -9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.489 8.077 -8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.066 6.592 -7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.427 6.695 -8.955 1.00 0.00 H new ATOM 400 N GLY A 26 9.540 3.738 -13.528 1.00 0.00 N ATOM 401 CA GLY A 26 9.318 3.694 -14.959 1.00 0.00 C ATOM 402 C GLY A 26 9.933 4.883 -15.656 1.00 0.00 C ATOM 403 O GLY A 26 11.048 5.295 -15.327 1.00 0.00 O ATOM 0 H GLY A 26 9.817 4.652 -13.169 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.741 2.775 -15.365 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.247 3.668 -15.161 1.00 0.00 H new ATOM 407 N ALA A 27 9.203 5.445 -16.608 1.00 0.00 N ATOM 408 CA ALA A 27 9.679 6.607 -17.343 1.00 0.00 C ATOM 409 C ALA A 27 8.878 7.851 -16.971 1.00 0.00 C ATOM 410 O ALA A 27 7.669 7.775 -16.741 1.00 0.00 O ATOM 411 CB ALA A 27 9.617 6.358 -18.844 1.00 0.00 C ATOM 0 H ALA A 27 8.280 5.115 -16.889 1.00 0.00 H new ATOM 0 HA ALA A 27 10.720 6.778 -17.067 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.977 7.240 -19.374 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.242 5.502 -19.097 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.587 6.154 -19.137 1.00 0.00 H new ATOM 417 N GLY A 28 9.565 8.993 -16.900 1.00 0.00 N ATOM 418 CA GLY A 28 8.908 10.239 -16.538 1.00 0.00 C ATOM 419 C GLY A 28 8.318 10.183 -15.142 1.00 0.00 C ATOM 420 O GLY A 28 7.183 10.612 -14.920 1.00 0.00 O ATOM 0 H GLY A 28 10.564 9.076 -17.087 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.625 11.058 -16.596 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.118 10.455 -17.257 1.00 0.00 H new ATOM 424 N GLN A 29 9.089 9.637 -14.201 1.00 0.00 N ATOM 425 CA GLN A 29 8.645 9.503 -12.819 1.00 0.00 C ATOM 426 C GLN A 29 9.735 9.945 -11.849 1.00 0.00 C ATOM 427 O GLN A 29 10.738 9.249 -11.668 1.00 0.00 O ATOM 428 CB GLN A 29 8.256 8.052 -12.534 1.00 0.00 C ATOM 429 CG GLN A 29 7.167 7.904 -11.483 1.00 0.00 C ATOM 430 CD GLN A 29 5.874 7.353 -12.056 1.00 0.00 C ATOM 431 OE1 GLN A 29 4.801 7.917 -11.845 1.00 0.00 O ATOM 432 NE2 GLN A 29 5.968 6.245 -12.785 1.00 0.00 N ATOM 0 H GLN A 29 10.028 9.280 -14.375 1.00 0.00 H new ATOM 0 HA GLN A 29 7.777 10.147 -12.677 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.919 7.587 -13.461 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.141 7.506 -12.207 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.519 7.244 -10.691 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.973 8.875 -11.027 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.878 5.809 -12.935 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.130 5.831 -13.194 1.00 0.00 H new ATOM 441 N ASP A 30 9.530 11.100 -11.221 1.00 0.00 N ATOM 442 CA ASP A 30 10.492 11.633 -10.258 1.00 0.00 C ATOM 443 C ASP A 30 10.176 11.165 -8.833 1.00 0.00 C ATOM 444 O ASP A 30 10.589 11.795 -7.857 1.00 0.00 O ATOM 445 CB ASP A 30 10.510 13.164 -10.321 1.00 0.00 C ATOM 446 CG ASP A 30 11.812 13.748 -9.809 1.00 0.00 C ATOM 447 OD1 ASP A 30 12.867 13.472 -10.418 1.00 0.00 O ATOM 448 OD2 ASP A 30 11.776 14.481 -8.797 1.00 0.00 O ATOM 0 H ASP A 30 8.707 11.685 -11.361 1.00 0.00 H new ATOM 0 HA ASP A 30 11.478 11.252 -10.524 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.351 13.484 -11.351 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.682 13.559 -9.733 1.00 0.00 H new ATOM 453 N LYS A 31 9.446 10.053 -8.721 1.00 0.00 N ATOM 454 CA LYS A 31 9.077 9.494 -7.425 1.00 0.00 C ATOM 455 C LYS A 31 9.077 7.964 -7.477 1.00 0.00 C ATOM 456 O LYS A 31 9.502 7.369 -8.471 1.00 0.00 O ATOM 457 CB LYS A 31 7.694 10.009 -7.001 1.00 0.00 C ATOM 458 CG LYS A 31 7.579 11.527 -6.984 1.00 0.00 C ATOM 459 CD LYS A 31 8.299 12.130 -5.787 1.00 0.00 C ATOM 460 CE LYS A 31 8.056 13.628 -5.682 1.00 0.00 C ATOM 461 NZ LYS A 31 9.277 14.418 -6.009 1.00 0.00 N ATOM 0 H LYS A 31 9.099 9.522 -9.519 1.00 0.00 H new ATOM 0 HA LYS A 31 9.815 9.814 -6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.943 9.605 -7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.464 9.626 -6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.998 11.934 -7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.527 11.813 -6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.960 11.641 -4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.369 11.940 -5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.249 13.912 -6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.727 13.872 -4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.067 15.433 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.040 14.167 -5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.577 14.206 -6.982 1.00 0.00 H new ATOM 475 N LEU A 32 8.597 7.333 -6.405 1.00 0.00 N ATOM 476 CA LEU A 32 8.540 5.876 -6.330 1.00 0.00 C ATOM 477 C LEU A 32 7.203 5.412 -5.759 1.00 0.00 C ATOM 478 O LEU A 32 6.702 5.982 -4.786 1.00 0.00 O ATOM 479 CB LEU A 32 9.690 5.339 -5.474 1.00 0.00 C ATOM 480 CG LEU A 32 10.297 4.019 -5.957 1.00 0.00 C ATOM 481 CD1 LEU A 32 10.762 4.138 -7.403 1.00 0.00 C ATOM 482 CD2 LEU A 32 11.449 3.606 -5.053 1.00 0.00 C ATOM 0 H LEU A 32 8.242 7.810 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 32 8.638 5.482 -7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.478 6.092 -5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.331 5.204 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 32 9.529 3.247 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.190 3.189 -7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.913 4.389 -8.039 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.516 4.921 -7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.871 2.666 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.218 4.378 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.084 3.478 -4.034 1.00 0.00 H new ATOM 494 N GLY A 33 6.632 4.375 -6.372 1.00 0.00 N ATOM 495 CA GLY A 33 5.357 3.845 -5.919 1.00 0.00 C ATOM 496 C GLY A 33 5.509 2.600 -5.062 1.00 0.00 C ATOM 497 O GLY A 33 6.557 1.951 -5.079 1.00 0.00 O ATOM 0 H GLY A 33 7.032 3.892 -7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.832 4.611 -5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.737 3.611 -6.785 1.00 0.00 H new ATOM 501 N ILE A 34 4.460 2.269 -4.309 1.00 0.00 N ATOM 502 CA ILE A 34 4.475 1.098 -3.436 1.00 0.00 C ATOM 503 C ILE A 34 3.449 0.060 -3.891 1.00 0.00 C ATOM 504 O ILE A 34 2.250 0.216 -3.662 1.00 0.00 O ATOM 505 CB ILE A 34 4.195 1.489 -1.965 1.00 0.00 C ATOM 506 CG1 ILE A 34 5.068 2.681 -1.550 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.430 0.305 -1.033 1.00 0.00 C ATOM 508 CD1 ILE A 34 6.556 2.445 -1.728 1.00 0.00 C ATOM 0 H ILE A 34 3.588 2.797 -4.287 1.00 0.00 H new ATOM 0 HA ILE A 34 5.473 0.664 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 34 3.148 1.781 -1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.776 3.553 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.870 2.917 -0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.227 0.605 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.766 -0.514 -1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.466 -0.024 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.105 3.332 -1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.864 1.593 -1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.769 2.240 -2.777 1.00 0.00 H new ATOM 520 N TYR A 35 3.931 -0.999 -4.538 1.00 0.00 N ATOM 521 CA TYR A 35 3.059 -2.065 -5.027 1.00 0.00 C ATOM 522 C TYR A 35 2.893 -3.160 -3.975 1.00 0.00 C ATOM 523 O TYR A 35 3.668 -3.238 -3.023 1.00 0.00 O ATOM 524 CB TYR A 35 3.623 -2.667 -6.317 1.00 0.00 C ATOM 525 CG TYR A 35 3.516 -1.756 -7.521 1.00 0.00 C ATOM 526 CD1 TYR A 35 4.120 -0.503 -7.532 1.00 0.00 C ATOM 527 CD2 TYR A 35 2.814 -2.154 -8.650 1.00 0.00 C ATOM 528 CE1 TYR A 35 4.026 0.324 -8.634 1.00 0.00 C ATOM 529 CE2 TYR A 35 2.715 -1.333 -9.755 1.00 0.00 C ATOM 530 CZ TYR A 35 3.323 -0.097 -9.743 1.00 0.00 C ATOM 531 OH TYR A 35 3.228 0.722 -10.844 1.00 0.00 O ATOM 0 H TYR A 35 4.921 -1.142 -4.736 1.00 0.00 H new ATOM 0 HA TYR A 35 2.081 -1.630 -5.234 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.671 -2.921 -6.159 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.098 -3.598 -6.531 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.671 -0.172 -6.665 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.337 -3.123 -8.664 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.500 1.294 -8.627 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.164 -1.658 -10.625 1.00 0.00 H new ATOM 0 HH TYR A 35 2.700 0.276 -11.539 1.00 0.00 H new ATOM 541 N VAL A 36 1.878 -4.006 -4.156 1.00 0.00 N ATOM 542 CA VAL A 36 1.606 -5.099 -3.223 1.00 0.00 C ATOM 543 C VAL A 36 2.041 -6.441 -3.809 1.00 0.00 C ATOM 544 O VAL A 36 1.461 -6.921 -4.785 1.00 0.00 O ATOM 545 CB VAL A 36 0.106 -5.171 -2.856 1.00 0.00 C ATOM 546 CG1 VAL A 36 -0.135 -6.201 -1.759 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.413 -3.802 -2.434 1.00 0.00 C ATOM 0 H VAL A 36 1.230 -3.955 -4.942 1.00 0.00 H new ATOM 0 HA VAL A 36 2.181 -4.894 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.445 -5.485 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.197 -6.234 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.189 -7.183 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.431 -5.924 -0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.470 -3.876 -2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.145 -3.453 -1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.285 -3.096 -3.254 1.00 0.00 H new ATOM 557 N LYS A 37 3.062 -7.045 -3.202 1.00 0.00 N ATOM 558 CA LYS A 37 3.575 -8.336 -3.655 1.00 0.00 C ATOM 559 C LYS A 37 2.585 -9.458 -3.343 1.00 0.00 C ATOM 560 O LYS A 37 2.349 -10.336 -4.174 1.00 0.00 O ATOM 561 CB LYS A 37 4.926 -8.637 -2.997 1.00 0.00 C ATOM 562 CG LYS A 37 6.106 -8.528 -3.950 1.00 0.00 C ATOM 563 CD LYS A 37 6.899 -9.825 -4.014 1.00 0.00 C ATOM 564 CE LYS A 37 6.520 -10.657 -5.231 1.00 0.00 C ATOM 565 NZ LYS A 37 7.110 -10.116 -6.489 1.00 0.00 N ATOM 0 H LYS A 37 3.551 -6.660 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 37 3.709 -8.282 -4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.077 -7.949 -2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.900 -9.643 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.746 -8.272 -4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.760 -7.717 -3.629 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.965 -9.599 -4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.723 -10.404 -3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.856 -11.684 -5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.434 -10.687 -5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.826 -10.714 -7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.770 -9.145 -6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.147 -10.111 -6.412 1.00 0.00 H new ATOM 579 N SER A 38 2.012 -9.423 -2.137 1.00 0.00 N ATOM 580 CA SER A 38 1.048 -10.436 -1.705 1.00 0.00 C ATOM 581 C SER A 38 0.413 -10.046 -0.370 1.00 0.00 C ATOM 582 O SER A 38 0.894 -9.140 0.311 1.00 0.00 O ATOM 583 CB SER A 38 1.729 -11.807 -1.580 1.00 0.00 C ATOM 584 OG SER A 38 3.066 -11.683 -1.118 1.00 0.00 O ATOM 0 H SER A 38 2.200 -8.701 -1.441 1.00 0.00 H new ATOM 0 HA SER A 38 0.263 -10.498 -2.459 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.162 -12.435 -0.893 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.722 -12.308 -2.548 1.00 0.00 H new ATOM 0 HG SER A 38 3.471 -12.572 -1.047 1.00 0.00 H new ATOM 590 N VAL A 39 -0.662 -10.739 0.003 1.00 0.00 N ATOM 591 CA VAL A 39 -1.352 -10.467 1.264 1.00 0.00 C ATOM 592 C VAL A 39 -1.350 -11.701 2.160 1.00 0.00 C ATOM 593 O VAL A 39 -1.741 -12.791 1.736 1.00 0.00 O ATOM 594 CB VAL A 39 -2.809 -9.998 1.041 1.00 0.00 C ATOM 595 CG1 VAL A 39 -2.837 -8.651 0.332 1.00 0.00 C ATOM 596 CG2 VAL A 39 -3.604 -11.038 0.261 1.00 0.00 C ATOM 0 H VAL A 39 -1.074 -11.492 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.805 -9.660 1.752 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.280 -9.880 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.871 -8.339 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.317 -7.910 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.343 -8.739 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.625 -10.684 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.137 -11.200 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.620 -11.976 0.817 1.00 0.00 H new ATOM 606 N VAL A 40 -0.906 -11.523 3.402 1.00 0.00 N ATOM 607 CA VAL A 40 -0.849 -12.621 4.363 1.00 0.00 C ATOM 608 C VAL A 40 -2.239 -12.939 4.907 1.00 0.00 C ATOM 609 O VAL A 40 -2.902 -12.077 5.484 1.00 0.00 O ATOM 610 CB VAL A 40 0.097 -12.301 5.542 1.00 0.00 C ATOM 611 CG1 VAL A 40 0.233 -13.498 6.474 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.462 -11.857 5.031 1.00 0.00 C ATOM 0 H VAL A 40 -0.580 -10.628 3.767 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.459 -13.488 3.830 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.339 -11.480 6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.904 -13.246 7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.746 -13.761 6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.639 -14.345 5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.113 -11.636 5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.903 -12.654 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.348 -10.963 4.418 1.00 0.00 H new ATOM 622 N LYS A 41 -2.668 -14.185 4.717 1.00 0.00 N ATOM 623 CA LYS A 41 -3.979 -14.632 5.185 1.00 0.00 C ATOM 624 C LYS A 41 -4.067 -14.584 6.709 1.00 0.00 C ATOM 625 O LYS A 41 -3.050 -14.670 7.402 1.00 0.00 O ATOM 626 CB LYS A 41 -4.263 -16.057 4.705 1.00 0.00 C ATOM 627 CG LYS A 41 -4.253 -16.210 3.193 1.00 0.00 C ATOM 628 CD LYS A 41 -5.650 -16.075 2.610 1.00 0.00 C ATOM 629 CE LYS A 41 -5.670 -16.423 1.129 1.00 0.00 C ATOM 630 NZ LYS A 41 -5.954 -17.868 0.897 1.00 0.00 N ATOM 0 H LYS A 41 -2.125 -14.905 4.241 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.725 -13.954 4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.520 -16.729 5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.235 -16.372 5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.600 -15.455 2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.839 -17.183 2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.335 -16.730 3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.007 -15.055 2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.426 -15.820 0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.709 -16.167 0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.958 -18.061 -0.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.219 -18.444 1.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.883 -18.108 1.299 1.00 0.00 H new ATOM 644 N GLY A 42 -5.289 -14.442 7.222 1.00 0.00 N ATOM 645 CA GLY A 42 -5.499 -14.381 8.658 1.00 0.00 C ATOM 646 C GLY A 42 -5.715 -12.964 9.159 1.00 0.00 C ATOM 647 O GLY A 42 -6.521 -12.741 10.062 1.00 0.00 O ATOM 0 H GLY A 42 -6.140 -14.368 6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.363 -14.991 8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.637 -14.814 9.166 1.00 0.00 H new ATOM 651 N GLY A 43 -4.999 -12.005 8.566 1.00 0.00 N ATOM 652 CA GLY A 43 -5.137 -10.612 8.961 1.00 0.00 C ATOM 653 C GLY A 43 -6.524 -10.050 8.668 1.00 0.00 C ATOM 654 O GLY A 43 -7.405 -10.763 8.189 1.00 0.00 O ATOM 0 H GLY A 43 -4.325 -12.171 7.818 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.930 -10.519 10.027 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.390 -10.015 8.438 1.00 0.00 H new ATOM 658 N ALA A 44 -6.719 -8.765 8.959 1.00 0.00 N ATOM 659 CA ALA A 44 -8.010 -8.112 8.732 1.00 0.00 C ATOM 660 C ALA A 44 -8.156 -7.548 7.309 1.00 0.00 C ATOM 661 O ALA A 44 -9.209 -7.003 6.966 1.00 0.00 O ATOM 662 CB ALA A 44 -8.211 -7.005 9.755 1.00 0.00 C ATOM 0 H ALA A 44 -6.002 -8.155 9.352 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.780 -8.875 8.847 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.172 -6.521 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.192 -7.429 10.759 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.412 -6.270 9.657 1.00 0.00 H new ATOM 668 N ALA A 45 -7.113 -7.667 6.485 1.00 0.00 N ATOM 669 CA ALA A 45 -7.163 -7.152 5.115 1.00 0.00 C ATOM 670 C ALA A 45 -7.605 -8.228 4.122 1.00 0.00 C ATOM 671 O ALA A 45 -8.345 -7.944 3.176 1.00 0.00 O ATOM 672 CB ALA A 45 -5.810 -6.580 4.713 1.00 0.00 C ATOM 0 H ALA A 45 -6.231 -8.111 6.739 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.906 -6.355 5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.864 -6.201 3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.544 -5.767 5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.053 -7.362 4.770 1.00 0.00 H new ATOM 678 N ASP A 46 -7.145 -9.459 4.336 1.00 0.00 N ATOM 679 CA ASP A 46 -7.494 -10.569 3.451 1.00 0.00 C ATOM 680 C ASP A 46 -8.914 -11.070 3.724 1.00 0.00 C ATOM 681 O ASP A 46 -9.637 -11.431 2.795 1.00 0.00 O ATOM 682 CB ASP A 46 -6.486 -11.715 3.602 1.00 0.00 C ATOM 683 CG ASP A 46 -6.487 -12.317 4.996 1.00 0.00 C ATOM 684 OD1 ASP A 46 -5.873 -11.718 5.898 1.00 0.00 O ATOM 685 OD2 ASP A 46 -7.102 -13.390 5.180 1.00 0.00 O ATOM 0 H ASP A 46 -6.532 -9.713 5.111 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.457 -10.202 2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.716 -12.493 2.874 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.486 -11.347 3.370 1.00 0.00 H new ATOM 690 N VAL A 47 -9.312 -11.085 4.999 1.00 0.00 N ATOM 691 CA VAL A 47 -10.652 -11.539 5.378 1.00 0.00 C ATOM 692 C VAL A 47 -11.726 -10.610 4.808 1.00 0.00 C ATOM 693 O VAL A 47 -12.819 -11.056 4.455 1.00 0.00 O ATOM 694 CB VAL A 47 -10.817 -11.629 6.913 1.00 0.00 C ATOM 695 CG1 VAL A 47 -12.185 -12.201 7.276 1.00 0.00 C ATOM 696 CG2 VAL A 47 -9.700 -12.469 7.522 1.00 0.00 C ATOM 0 H VAL A 47 -8.729 -10.790 5.782 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.776 -12.537 4.958 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.751 -10.622 7.325 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.280 -12.256 8.360 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.967 -11.556 6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.286 -13.200 6.852 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.832 -12.521 8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.732 -13.475 7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.737 -12.012 7.296 1.00 0.00 H new ATOM 706 N ASP A 48 -11.402 -9.321 4.711 1.00 0.00 N ATOM 707 CA ASP A 48 -12.331 -8.331 4.174 1.00 0.00 C ATOM 708 C ASP A 48 -12.513 -8.508 2.665 1.00 0.00 C ATOM 709 O ASP A 48 -13.636 -8.469 2.160 1.00 0.00 O ATOM 710 CB ASP A 48 -11.828 -6.915 4.472 1.00 0.00 C ATOM 711 CG ASP A 48 -12.841 -6.093 5.241 1.00 0.00 C ATOM 712 OD1 ASP A 48 -12.875 -6.203 6.485 1.00 0.00 O ATOM 713 OD2 ASP A 48 -13.602 -5.338 4.599 1.00 0.00 O ATOM 0 H ASP A 48 -10.501 -8.939 4.998 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.296 -8.480 4.658 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.902 -6.974 5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.592 -6.411 3.535 1.00 0.00 H new ATOM 718 N GLY A 49 -11.401 -8.696 1.953 1.00 0.00 N ATOM 719 CA GLY A 49 -11.455 -8.869 0.509 1.00 0.00 C ATOM 720 C GLY A 49 -11.578 -7.550 -0.238 1.00 0.00 C ATOM 721 O GLY A 49 -12.147 -7.502 -1.330 1.00 0.00 O ATOM 0 H GLY A 49 -10.463 -8.731 2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.556 -9.388 0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.303 -9.506 0.255 1.00 0.00 H new ATOM 725 N ARG A 50 -11.039 -6.479 0.348 1.00 0.00 N ATOM 726 CA ARG A 50 -11.087 -5.155 -0.273 1.00 0.00 C ATOM 727 C ARG A 50 -9.871 -4.922 -1.172 1.00 0.00 C ATOM 728 O ARG A 50 -9.969 -4.238 -2.192 1.00 0.00 O ATOM 729 CB ARG A 50 -11.161 -4.061 0.798 1.00 0.00 C ATOM 730 CG ARG A 50 -12.562 -3.511 1.014 1.00 0.00 C ATOM 731 CD ARG A 50 -12.987 -2.592 -0.123 1.00 0.00 C ATOM 732 NE ARG A 50 -14.405 -2.745 -0.454 1.00 0.00 N ATOM 733 CZ ARG A 50 -15.405 -2.198 0.248 1.00 0.00 C ATOM 734 NH1 ARG A 50 -15.150 -1.464 1.331 1.00 0.00 N ATOM 735 NH2 ARG A 50 -16.664 -2.388 -0.133 1.00 0.00 N ATOM 0 H ARG A 50 -10.565 -6.503 1.251 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.985 -5.110 -0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.788 -4.462 1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.499 -3.243 0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.268 -4.337 1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.597 -2.964 1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.790 -1.557 0.155 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.384 -2.805 -1.006 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.646 -3.304 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.187 -1.315 1.631 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.918 -1.051 1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.867 -2.950 -0.959 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.427 -1.972 0.401 1.00 0.00 H new ATOM 749 N LEU A 51 -8.728 -5.494 -0.785 1.00 0.00 N ATOM 750 CA LEU A 51 -7.492 -5.349 -1.552 1.00 0.00 C ATOM 751 C LEU A 51 -6.884 -6.716 -1.878 1.00 0.00 C ATOM 752 O LEU A 51 -7.340 -7.744 -1.369 1.00 0.00 O ATOM 753 CB LEU A 51 -6.483 -4.499 -0.774 1.00 0.00 C ATOM 754 CG LEU A 51 -6.110 -5.034 0.614 1.00 0.00 C ATOM 755 CD1 LEU A 51 -4.873 -5.917 0.536 1.00 0.00 C ATOM 756 CD2 LEU A 51 -5.891 -3.884 1.587 1.00 0.00 C ATOM 0 H LEU A 51 -8.635 -6.062 0.057 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.733 -4.849 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.573 -4.410 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.890 -3.494 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.937 -5.641 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.626 -6.286 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.069 -6.761 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.036 -5.338 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.627 -4.282 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.083 -3.249 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.806 -3.297 1.668 1.00 0.00 H new ATOM 768 N ALA A 52 -5.854 -6.719 -2.728 1.00 0.00 N ATOM 769 CA ALA A 52 -5.182 -7.956 -3.124 1.00 0.00 C ATOM 770 C ALA A 52 -3.772 -7.685 -3.656 1.00 0.00 C ATOM 771 O ALA A 52 -3.301 -6.546 -3.642 1.00 0.00 O ATOM 772 CB ALA A 52 -6.010 -8.691 -4.170 1.00 0.00 C ATOM 0 H ALA A 52 -5.468 -5.877 -3.155 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.086 -8.583 -2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.500 -9.610 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.988 -8.933 -3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.135 -8.056 -5.047 1.00 0.00 H new ATOM 778 N ALA A 53 -3.106 -8.743 -4.128 1.00 0.00 N ATOM 779 CA ALA A 53 -1.752 -8.626 -4.669 1.00 0.00 C ATOM 780 C ALA A 53 -1.762 -7.962 -6.045 1.00 0.00 C ATOM 781 O ALA A 53 -2.801 -7.893 -6.705 1.00 0.00 O ATOM 782 CB ALA A 53 -1.092 -9.996 -4.750 1.00 0.00 C ATOM 0 H ALA A 53 -3.484 -9.690 -4.146 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.175 -7.995 -3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.085 -9.892 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.039 -10.434 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.679 -10.645 -5.400 1.00 0.00 H new ATOM 788 N GLY A 54 -0.596 -7.472 -6.469 1.00 0.00 N ATOM 789 CA GLY A 54 -0.485 -6.812 -7.760 1.00 0.00 C ATOM 790 C GLY A 54 -1.251 -5.502 -7.806 1.00 0.00 C ATOM 791 O GLY A 54 -1.888 -5.185 -8.812 1.00 0.00 O ATOM 0 H GLY A 54 0.274 -7.521 -5.939 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.566 -6.624 -7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.859 -7.477 -8.539 1.00 0.00 H new ATOM 795 N ASP A 55 -1.193 -4.744 -6.710 1.00 0.00 N ATOM 796 CA ASP A 55 -1.890 -3.464 -6.621 1.00 0.00 C ATOM 797 C ASP A 55 -0.936 -2.348 -6.204 1.00 0.00 C ATOM 798 O ASP A 55 -0.045 -2.559 -5.380 1.00 0.00 O ATOM 799 CB ASP A 55 -3.048 -3.561 -5.622 1.00 0.00 C ATOM 800 CG ASP A 55 -4.363 -3.916 -6.291 1.00 0.00 C ATOM 801 OD1 ASP A 55 -4.493 -5.060 -6.774 1.00 0.00 O ATOM 802 OD2 ASP A 55 -5.261 -3.048 -6.330 1.00 0.00 O ATOM 0 H ASP A 55 -0.669 -4.996 -5.872 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.286 -3.226 -7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.812 -4.313 -4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.154 -2.610 -5.100 1.00 0.00 H new ATOM 807 N GLN A 56 -1.132 -1.161 -6.775 1.00 0.00 N ATOM 808 CA GLN A 56 -0.293 -0.005 -6.461 1.00 0.00 C ATOM 809 C GLN A 56 -0.871 0.783 -5.284 1.00 0.00 C ATOM 810 O GLN A 56 -2.054 0.655 -4.966 1.00 0.00 O ATOM 811 CB GLN A 56 -0.163 0.906 -7.686 1.00 0.00 C ATOM 812 CG GLN A 56 1.104 1.749 -7.691 1.00 0.00 C ATOM 813 CD GLN A 56 0.833 3.231 -7.489 1.00 0.00 C ATOM 814 OE1 GLN A 56 -0.281 3.709 -7.707 1.00 0.00 O ATOM 815 NE2 GLN A 56 1.855 3.970 -7.069 1.00 0.00 N ATOM 0 H GLN A 56 -1.866 -0.974 -7.459 1.00 0.00 H new ATOM 0 HA GLN A 56 0.696 -0.369 -6.182 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.184 0.293 -8.587 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.029 1.567 -7.729 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.771 1.397 -6.904 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.625 1.606 -8.638 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.762 3.536 -6.900 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.732 4.971 -6.916 1.00 0.00 H new ATOM 824 N LEU A 57 -0.032 1.596 -4.639 1.00 0.00 N ATOM 825 CA LEU A 57 -0.466 2.401 -3.497 1.00 0.00 C ATOM 826 C LEU A 57 -0.181 3.884 -3.714 1.00 0.00 C ATOM 827 O LEU A 57 0.719 4.251 -4.472 1.00 0.00 O ATOM 828 CB LEU A 57 0.233 1.938 -2.216 1.00 0.00 C ATOM 829 CG LEU A 57 -0.248 0.600 -1.654 1.00 0.00 C ATOM 830 CD1 LEU A 57 0.854 -0.057 -0.836 1.00 0.00 C ATOM 831 CD2 LEU A 57 -1.498 0.797 -0.809 1.00 0.00 C ATOM 0 H LEU A 57 0.950 1.714 -4.888 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.543 2.264 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.303 1.867 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.098 2.703 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.498 -0.058 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.497 -1.009 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.724 -0.230 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.132 0.596 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.827 -0.165 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.275 1.470 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.288 1.228 -1.424 1.00 0.00 H new ATOM 843 N LEU A 58 -0.950 4.731 -3.030 1.00 0.00 N ATOM 844 CA LEU A 58 -0.782 6.178 -3.129 1.00 0.00 C ATOM 845 C LEU A 58 -0.623 6.810 -1.743 1.00 0.00 C ATOM 846 O LEU A 58 0.361 7.506 -1.483 1.00 0.00 O ATOM 847 CB LEU A 58 -1.973 6.806 -3.864 1.00 0.00 C ATOM 848 CG LEU A 58 -1.606 7.682 -5.068 1.00 0.00 C ATOM 849 CD1 LEU A 58 -2.810 7.869 -5.979 1.00 0.00 C ATOM 850 CD2 LEU A 58 -1.070 9.033 -4.612 1.00 0.00 C ATOM 0 H LEU A 58 -1.697 4.438 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 58 0.127 6.373 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.633 6.007 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.541 7.409 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.821 7.175 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.531 8.493 -6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.148 6.897 -6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.615 8.351 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.816 9.637 -5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.830 9.546 -4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.179 8.884 -4.002 1.00 0.00 H new ATOM 862 N SER A 59 -1.598 6.571 -0.860 1.00 0.00 N ATOM 863 CA SER A 59 -1.568 7.124 0.494 1.00 0.00 C ATOM 864 C SER A 59 -1.968 6.077 1.534 1.00 0.00 C ATOM 865 O SER A 59 -2.866 5.265 1.297 1.00 0.00 O ATOM 866 CB SER A 59 -2.508 8.331 0.584 1.00 0.00 C ATOM 867 OG SER A 59 -2.047 9.404 -0.221 1.00 0.00 O ATOM 0 H SER A 59 -2.417 5.998 -1.061 1.00 0.00 H new ATOM 0 HA SER A 59 -0.546 7.438 0.707 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.509 8.039 0.267 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.585 8.658 1.621 1.00 0.00 H new ATOM 0 HG SER A 59 -2.667 10.159 -0.145 1.00 0.00 H new ATOM 873 N VAL A 60 -1.302 6.105 2.690 1.00 0.00 N ATOM 874 CA VAL A 60 -1.589 5.164 3.769 1.00 0.00 C ATOM 875 C VAL A 60 -1.645 5.878 5.117 1.00 0.00 C ATOM 876 O VAL A 60 -0.848 6.780 5.378 1.00 0.00 O ATOM 877 CB VAL A 60 -0.529 4.043 3.838 1.00 0.00 C ATOM 878 CG1 VAL A 60 -0.955 2.946 4.808 1.00 0.00 C ATOM 879 CG2 VAL A 60 -0.271 3.466 2.454 1.00 0.00 C ATOM 0 H VAL A 60 -0.559 6.771 2.901 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.561 4.720 3.552 1.00 0.00 H new ATOM 0 HB VAL A 60 0.399 4.478 4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.191 2.169 4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.080 3.370 5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.899 2.514 4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.479 2.678 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.197 3.053 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.090 4.254 1.793 1.00 0.00 H new ATOM 889 N ASP A 61 -2.592 5.461 5.964 1.00 0.00 N ATOM 890 CA ASP A 61 -2.777 6.042 7.301 1.00 0.00 C ATOM 891 C ASP A 61 -2.689 7.574 7.275 1.00 0.00 C ATOM 892 O ASP A 61 -2.038 8.184 8.126 1.00 0.00 O ATOM 893 CB ASP A 61 -1.766 5.442 8.308 1.00 0.00 C ATOM 894 CG ASP A 61 -0.301 5.673 7.951 1.00 0.00 C ATOM 895 OD1 ASP A 61 0.243 4.897 7.136 1.00 0.00 O ATOM 896 OD2 ASP A 61 0.310 6.611 8.510 1.00 0.00 O ATOM 0 H ASP A 61 -3.251 4.714 5.744 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.782 5.783 7.633 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.958 5.868 9.293 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.943 4.369 8.385 1.00 0.00 H new ATOM 901 N GLY A 62 -3.351 8.194 6.295 1.00 0.00 N ATOM 902 CA GLY A 62 -3.325 9.643 6.181 1.00 0.00 C ATOM 903 C GLY A 62 -1.939 10.181 5.833 1.00 0.00 C ATOM 904 O GLY A 62 -1.576 11.280 6.254 1.00 0.00 O ATOM 0 H GLY A 62 -3.903 7.718 5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.035 9.956 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.656 10.084 7.122 1.00 0.00 H new ATOM 908 N ARG A 63 -1.166 9.407 5.059 1.00 0.00 N ATOM 909 CA ARG A 63 0.182 9.817 4.649 1.00 0.00 C ATOM 910 C ARG A 63 0.430 9.459 3.185 1.00 0.00 C ATOM 911 O ARG A 63 -0.280 8.628 2.618 1.00 0.00 O ATOM 912 CB ARG A 63 1.252 9.159 5.531 1.00 0.00 C ATOM 913 CG ARG A 63 1.768 10.065 6.640 1.00 0.00 C ATOM 914 CD ARG A 63 1.812 9.339 7.975 1.00 0.00 C ATOM 915 NE ARG A 63 2.309 10.189 9.058 1.00 0.00 N ATOM 916 CZ ARG A 63 2.441 9.779 10.322 1.00 0.00 C ATOM 917 NH1 ARG A 63 2.113 8.534 10.661 1.00 0.00 N ATOM 918 NH2 ARG A 63 2.901 10.613 11.250 1.00 0.00 N ATOM 0 H ARG A 63 -1.452 8.494 4.705 1.00 0.00 H new ATOM 0 HA ARG A 63 0.250 10.898 4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.838 8.254 5.976 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.089 8.852 4.904 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.766 10.422 6.385 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.127 10.943 6.723 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.812 8.984 8.225 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.449 8.459 7.886 1.00 0.00 H new ATOM 0 HE ARG A 63 2.569 11.150 8.834 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.759 7.889 9.954 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.215 8.225 11.628 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.154 11.568 10.997 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.001 10.297 12.215 1.00 0.00 H new ATOM 932 N SER A 64 1.439 10.087 2.579 1.00 0.00 N ATOM 933 CA SER A 64 1.774 9.830 1.179 1.00 0.00 C ATOM 934 C SER A 64 3.129 9.142 1.056 1.00 0.00 C ATOM 935 O SER A 64 4.087 9.510 1.738 1.00 0.00 O ATOM 936 CB SER A 64 1.777 11.135 0.371 1.00 0.00 C ATOM 937 OG SER A 64 2.380 12.197 1.095 1.00 0.00 O ATOM 0 H SER A 64 2.037 10.776 3.035 1.00 0.00 H new ATOM 0 HA SER A 64 1.010 9.166 0.774 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.313 10.982 -0.566 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.753 11.406 0.112 1.00 0.00 H new ATOM 0 HG SER A 64 2.367 13.012 0.551 1.00 0.00 H new ATOM 943 N LEU A 65 3.201 8.142 0.180 1.00 0.00 N ATOM 944 CA LEU A 65 4.442 7.402 -0.038 1.00 0.00 C ATOM 945 C LEU A 65 4.931 7.572 -1.474 1.00 0.00 C ATOM 946 O LEU A 65 5.323 6.603 -2.129 1.00 0.00 O ATOM 947 CB LEU A 65 4.246 5.915 0.284 1.00 0.00 C ATOM 948 CG LEU A 65 3.479 5.613 1.574 1.00 0.00 C ATOM 949 CD1 LEU A 65 3.303 4.113 1.742 1.00 0.00 C ATOM 950 CD2 LEU A 65 4.195 6.205 2.781 1.00 0.00 C ATOM 0 H LEU A 65 2.416 7.826 -0.389 1.00 0.00 H new ATOM 0 HA LEU A 65 5.199 7.807 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.720 5.448 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.226 5.443 0.346 1.00 0.00 H new ATOM 0 HG LEU A 65 2.494 6.075 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.756 3.912 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.745 3.715 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.281 3.635 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.632 5.978 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.194 5.776 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.273 7.286 2.664 1.00 0.00 H new ATOM 962 N VAL A 66 4.908 8.812 -1.959 1.00 0.00 N ATOM 963 CA VAL A 66 5.350 9.111 -3.313 1.00 0.00 C ATOM 964 C VAL A 66 6.666 9.879 -3.298 1.00 0.00 C ATOM 965 O VAL A 66 6.697 11.089 -3.058 1.00 0.00 O ATOM 966 CB VAL A 66 4.282 9.905 -4.093 1.00 0.00 C ATOM 967 CG1 VAL A 66 4.827 10.379 -5.432 1.00 0.00 C ATOM 968 CG2 VAL A 66 3.040 9.053 -4.292 1.00 0.00 C ATOM 0 H VAL A 66 4.587 9.624 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 66 5.505 8.159 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 66 4.013 10.786 -3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.055 10.936 -5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.690 11.024 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.127 9.517 -6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.292 9.623 -4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.300 8.156 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.635 8.768 -3.321 1.00 0.00 H new ATOM 978 N GLY A 67 7.751 9.155 -3.550 1.00 0.00 N ATOM 979 CA GLY A 67 9.075 9.756 -3.563 1.00 0.00 C ATOM 980 C GLY A 67 10.012 9.107 -2.565 1.00 0.00 C ATOM 981 O GLY A 67 11.200 8.934 -2.840 1.00 0.00 O ATOM 0 H GLY A 67 7.738 8.154 -3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.499 9.673 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.991 10.820 -3.340 1.00 0.00 H new ATOM 985 N LEU A 68 9.472 8.745 -1.404 1.00 0.00 N ATOM 986 CA LEU A 68 10.260 8.107 -0.354 1.00 0.00 C ATOM 987 C LEU A 68 10.586 6.658 -0.719 1.00 0.00 C ATOM 988 O LEU A 68 9.796 5.981 -1.381 1.00 0.00 O ATOM 989 CB LEU A 68 9.512 8.159 0.986 1.00 0.00 C ATOM 990 CG LEU A 68 8.072 7.631 0.959 1.00 0.00 C ATOM 991 CD1 LEU A 68 8.050 6.123 1.148 1.00 0.00 C ATOM 992 CD2 LEU A 68 7.231 8.317 2.025 1.00 0.00 C ATOM 0 H LEU A 68 8.490 8.883 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 68 11.197 8.655 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.077 7.585 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.495 9.192 1.333 1.00 0.00 H new ATOM 0 HG LEU A 68 7.642 7.859 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.019 5.769 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.615 5.648 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.500 5.870 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.213 7.929 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.660 8.122 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.217 9.391 1.842 1.00 0.00 H new ATOM 1004 N SER A 69 11.755 6.191 -0.282 1.00 0.00 N ATOM 1005 CA SER A 69 12.191 4.822 -0.557 1.00 0.00 C ATOM 1006 C SER A 69 11.260 3.816 0.113 1.00 0.00 C ATOM 1007 O SER A 69 10.579 4.145 1.087 1.00 0.00 O ATOM 1008 CB SER A 69 13.629 4.611 -0.073 1.00 0.00 C ATOM 1009 OG SER A 69 14.452 5.713 -0.420 1.00 0.00 O ATOM 0 H SER A 69 12.418 6.741 0.264 1.00 0.00 H new ATOM 0 HA SER A 69 12.156 4.663 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.636 4.475 1.008 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.033 3.699 -0.512 1.00 0.00 H new ATOM 0 HG SER A 69 15.364 5.554 -0.098 1.00 0.00 H new ATOM 1015 N GLN A 70 11.228 2.592 -0.412 1.00 0.00 N ATOM 1016 CA GLN A 70 10.369 1.545 0.142 1.00 0.00 C ATOM 1017 C GLN A 70 10.586 1.375 1.643 1.00 0.00 C ATOM 1018 O GLN A 70 9.629 1.166 2.388 1.00 0.00 O ATOM 1019 CB GLN A 70 10.602 0.212 -0.559 1.00 0.00 C ATOM 1020 CG GLN A 70 9.608 -0.855 -0.135 1.00 0.00 C ATOM 1021 CD GLN A 70 8.174 -0.437 -0.396 1.00 0.00 C ATOM 1022 OE1 GLN A 70 7.743 -0.544 -1.646 1.00 0.00 O flip ATOM 1023 NE2 GLN A 70 7.463 -0.017 0.517 1.00 0.00 N flip ATOM 0 H GLN A 70 11.784 2.301 -1.216 1.00 0.00 H new ATOM 0 HA GLN A 70 9.340 1.861 -0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.535 0.357 -1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.613 -0.134 -0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.819 -1.780 -0.672 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.736 -1.067 0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.835 0.049 1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.502 0.265 0.326 1.00 0.00 H new ATOM 1032 N GLU A 71 11.844 1.469 2.081 1.00 0.00 N ATOM 1033 CA GLU A 71 12.167 1.335 3.501 1.00 0.00 C ATOM 1034 C GLU A 71 11.290 2.272 4.326 1.00 0.00 C ATOM 1035 O GLU A 71 10.741 1.879 5.353 1.00 0.00 O ATOM 1036 CB GLU A 71 13.646 1.644 3.750 1.00 0.00 C ATOM 1037 CG GLU A 71 14.286 0.745 4.801 1.00 0.00 C ATOM 1038 CD GLU A 71 15.796 0.629 4.664 1.00 0.00 C ATOM 1039 OE1 GLU A 71 16.318 0.825 3.545 1.00 0.00 O ATOM 1040 OE2 GLU A 71 16.459 0.336 5.682 1.00 0.00 O ATOM 0 H GLU A 71 12.649 1.636 1.477 1.00 0.00 H new ATOM 0 HA GLU A 71 11.974 0.306 3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 71 14.193 1.541 2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.744 2.683 4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.048 1.132 5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.846 -0.250 4.733 1.00 0.00 H new ATOM 1047 N ARG A 72 11.145 3.507 3.845 1.00 0.00 N ATOM 1048 CA ARG A 72 10.311 4.500 4.513 1.00 0.00 C ATOM 1049 C ARG A 72 8.834 4.186 4.287 1.00 0.00 C ATOM 1050 O ARG A 72 8.023 4.300 5.204 1.00 0.00 O ATOM 1051 CB ARG A 72 10.630 5.908 3.998 1.00 0.00 C ATOM 1052 CG ARG A 72 12.099 6.284 4.114 1.00 0.00 C ATOM 1053 CD ARG A 72 12.379 7.011 5.419 1.00 0.00 C ATOM 1054 NE ARG A 72 11.882 8.389 5.396 1.00 0.00 N ATOM 1055 CZ ARG A 72 11.660 9.122 6.491 1.00 0.00 C ATOM 1056 NH1 ARG A 72 11.893 8.618 7.699 1.00 0.00 N ATOM 1057 NH2 ARG A 72 11.201 10.365 6.376 1.00 0.00 N ATOM 0 H ARG A 72 11.596 3.842 2.994 1.00 0.00 H new ATOM 0 HA ARG A 72 10.524 4.463 5.581 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.327 5.980 2.953 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.034 6.632 4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.713 5.385 4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.382 6.918 3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.912 6.471 6.243 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.452 7.016 5.609 1.00 0.00 H new ATOM 0 HE ARG A 72 11.694 8.815 4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.244 7.665 7.795 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.721 9.184 8.530 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.019 10.758 5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.031 10.925 7.211 1.00 0.00 H new ATOM 1071 N ALA A 73 8.498 3.778 3.060 1.00 0.00 N ATOM 1072 CA ALA A 73 7.123 3.435 2.711 1.00 0.00 C ATOM 1073 C ALA A 73 6.581 2.355 3.639 1.00 0.00 C ATOM 1074 O ALA A 73 5.581 2.566 4.327 1.00 0.00 O ATOM 1075 CB ALA A 73 7.038 2.977 1.264 1.00 0.00 C ATOM 0 H ALA A 73 9.163 3.678 2.293 1.00 0.00 H new ATOM 0 HA ALA A 73 6.511 4.329 2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.005 2.726 1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.380 3.778 0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.668 2.099 1.123 1.00 0.00 H new ATOM 1081 N ALA A 74 7.257 1.203 3.669 1.00 0.00 N ATOM 1082 CA ALA A 74 6.838 0.108 4.536 1.00 0.00 C ATOM 1083 C ALA A 74 6.829 0.566 5.989 1.00 0.00 C ATOM 1084 O ALA A 74 5.774 0.627 6.609 1.00 0.00 O ATOM 1085 CB ALA A 74 7.742 -1.102 4.362 1.00 0.00 C ATOM 0 H ALA A 74 8.087 1.009 3.108 1.00 0.00 H new ATOM 0 HA ALA A 74 5.827 -0.187 4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.407 -1.904 5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.701 -1.441 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.767 -0.830 4.614 1.00 0.00 H new ATOM 1091 N GLU A 75 8.017 0.905 6.512 1.00 0.00 N ATOM 1092 CA GLU A 75 8.174 1.386 7.890 1.00 0.00 C ATOM 1093 C GLU A 75 7.016 2.297 8.309 1.00 0.00 C ATOM 1094 O GLU A 75 6.456 2.136 9.392 1.00 0.00 O ATOM 1095 CB GLU A 75 9.503 2.140 8.034 1.00 0.00 C ATOM 1096 CG GLU A 75 9.995 2.256 9.473 1.00 0.00 C ATOM 1097 CD GLU A 75 9.648 3.581 10.144 1.00 0.00 C ATOM 1098 OE1 GLU A 75 8.963 4.420 9.518 1.00 0.00 O ATOM 1099 OE2 GLU A 75 10.065 3.778 11.306 1.00 0.00 O ATOM 0 H GLU A 75 8.893 0.853 5.992 1.00 0.00 H new ATOM 0 HA GLU A 75 8.171 0.515 8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.263 1.633 7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.389 3.141 7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.568 1.442 10.058 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.077 2.126 9.487 1.00 0.00 H new ATOM 1106 N LEU A 76 6.664 3.250 7.443 1.00 0.00 N ATOM 1107 CA LEU A 76 5.572 4.182 7.725 1.00 0.00 C ATOM 1108 C LEU A 76 4.250 3.434 7.928 1.00 0.00 C ATOM 1109 O LEU A 76 3.491 3.736 8.850 1.00 0.00 O ATOM 1110 CB LEU A 76 5.432 5.197 6.584 1.00 0.00 C ATOM 1111 CG LEU A 76 6.405 6.382 6.633 1.00 0.00 C ATOM 1112 CD1 LEU A 76 6.293 7.217 5.364 1.00 0.00 C ATOM 1113 CD2 LEU A 76 6.145 7.240 7.863 1.00 0.00 C ATOM 0 H LEU A 76 7.119 3.396 6.542 1.00 0.00 H new ATOM 0 HA LEU A 76 5.810 4.713 8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.570 4.675 5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.413 5.585 6.589 1.00 0.00 H new ATOM 0 HG LEU A 76 7.420 5.990 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.990 8.053 5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.532 6.598 4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.276 7.598 5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.846 8.075 7.879 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.125 7.623 7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.278 6.638 8.762 1.00 0.00 H new ATOM 1125 N MET A 77 3.992 2.452 7.064 1.00 0.00 N ATOM 1126 CA MET A 77 2.776 1.642 7.139 1.00 0.00 C ATOM 1127 C MET A 77 2.869 0.603 8.261 1.00 0.00 C ATOM 1128 O MET A 77 1.856 0.226 8.848 1.00 0.00 O ATOM 1129 CB MET A 77 2.530 0.935 5.804 1.00 0.00 C ATOM 1130 CG MET A 77 2.344 1.884 4.631 1.00 0.00 C ATOM 1131 SD MET A 77 3.130 1.289 3.120 1.00 0.00 S ATOM 1132 CE MET A 77 2.497 -0.384 3.040 1.00 0.00 C ATOM 0 H MET A 77 4.615 2.197 6.298 1.00 0.00 H new ATOM 0 HA MET A 77 1.943 2.310 7.357 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.370 0.273 5.594 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.644 0.306 5.894 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.279 2.026 4.450 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.756 2.859 4.890 1.00 0.00 H new ATOM 0 HE1 MET A 77 3.308 -1.089 3.225 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.722 -0.516 3.795 1.00 0.00 H new ATOM 0 HE3 MET A 77 2.075 -0.567 2.052 1.00 0.00 H new ATOM 1142 N THR A 78 4.089 0.140 8.553 1.00 0.00 N ATOM 1143 CA THR A 78 4.305 -0.852 9.603 1.00 0.00 C ATOM 1144 C THR A 78 3.868 -0.306 10.966 1.00 0.00 C ATOM 1145 O THR A 78 3.475 -1.069 11.849 1.00 0.00 O ATOM 1146 CB THR A 78 5.779 -1.279 9.653 1.00 0.00 C ATOM 1147 OG1 THR A 78 6.447 -0.963 8.448 1.00 0.00 O ATOM 1148 CG2 THR A 78 5.973 -2.760 9.884 1.00 0.00 C ATOM 0 H THR A 78 4.939 0.438 8.075 1.00 0.00 H new ATOM 0 HA THR A 78 3.697 -1.726 9.368 1.00 0.00 H new ATOM 0 HB THR A 78 6.193 -0.728 10.497 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.259 -1.506 8.372 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.039 -2.988 9.907 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.520 -3.042 10.835 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.500 -3.319 9.077 1.00 0.00 H new ATOM 1156 N ARG A 79 3.930 1.019 11.128 1.00 0.00 N ATOM 1157 CA ARG A 79 3.532 1.664 12.379 1.00 0.00 C ATOM 1158 C ARG A 79 2.085 2.175 12.305 1.00 0.00 C ATOM 1159 O ARG A 79 1.750 3.198 12.913 1.00 0.00 O ATOM 1160 CB ARG A 79 4.479 2.830 12.701 1.00 0.00 C ATOM 1161 CG ARG A 79 5.958 2.505 12.524 1.00 0.00 C ATOM 1162 CD ARG A 79 6.780 3.769 12.306 1.00 0.00 C ATOM 1163 NE ARG A 79 7.753 3.994 13.377 1.00 0.00 N ATOM 1164 CZ ARG A 79 8.476 5.110 13.510 1.00 0.00 C ATOM 1165 NH1 ARG A 79 8.352 6.106 12.635 1.00 0.00 N ATOM 1166 NH2 ARG A 79 9.332 5.228 14.520 1.00 0.00 N ATOM 0 H ARG A 79 4.252 1.665 10.407 1.00 0.00 H new ATOM 0 HA ARG A 79 3.593 0.920 13.173 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.226 3.675 12.061 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.309 3.147 13.730 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.325 1.978 13.405 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.086 1.834 11.674 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.303 3.699 11.352 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.111 4.627 12.240 1.00 0.00 H new ATOM 0 HE ARG A 79 7.887 3.253 14.064 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.701 6.021 11.855 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.908 6.954 12.745 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.436 4.468 15.192 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.885 6.079 14.623 1.00 0.00 H new ATOM 1180 N THR A 80 1.229 1.463 11.562 1.00 0.00 N ATOM 1181 CA THR A 80 -0.177 1.852 11.416 1.00 0.00 C ATOM 1182 C THR A 80 -0.891 1.878 12.765 1.00 0.00 C ATOM 1183 O THR A 80 -0.596 1.076 13.652 1.00 0.00 O ATOM 1184 CB THR A 80 -0.918 0.901 10.464 1.00 0.00 C ATOM 1185 OG1 THR A 80 -0.445 -0.434 10.589 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.792 1.299 9.008 1.00 0.00 C ATOM 0 H THR A 80 1.486 0.617 11.054 1.00 0.00 H new ATOM 0 HA THR A 80 -0.187 2.857 10.995 1.00 0.00 H new ATOM 0 HB THR A 80 -1.965 0.968 10.760 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.316 -0.569 9.987 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.337 0.588 8.388 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.207 2.297 8.866 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.259 1.300 8.721 1.00 0.00 H new ATOM 1194 N SER A 81 -1.840 2.803 12.906 1.00 0.00 N ATOM 1195 CA SER A 81 -2.609 2.938 14.140 1.00 0.00 C ATOM 1196 C SER A 81 -3.813 1.991 14.133 1.00 0.00 C ATOM 1197 O SER A 81 -3.891 1.080 13.304 1.00 0.00 O ATOM 1198 CB SER A 81 -3.076 4.391 14.315 1.00 0.00 C ATOM 1199 OG SER A 81 -2.060 5.308 13.943 1.00 0.00 O ATOM 0 H SER A 81 -2.094 3.471 12.178 1.00 0.00 H new ATOM 0 HA SER A 81 -1.967 2.670 14.979 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.965 4.565 13.709 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.360 4.561 15.354 1.00 0.00 H new ATOM 0 HG SER A 81 -2.386 6.224 14.063 1.00 0.00 H new ATOM 1205 N SER A 82 -4.753 2.213 15.055 1.00 0.00 N ATOM 1206 CA SER A 82 -5.957 1.386 15.148 1.00 0.00 C ATOM 1207 C SER A 82 -6.722 1.378 13.822 1.00 0.00 C ATOM 1208 O SER A 82 -7.365 0.386 13.478 1.00 0.00 O ATOM 1209 CB SER A 82 -6.869 1.889 16.273 1.00 0.00 C ATOM 1210 OG SER A 82 -6.113 2.358 17.377 1.00 0.00 O ATOM 0 H SER A 82 -4.703 2.960 15.748 1.00 0.00 H new ATOM 0 HA SER A 82 -5.645 0.366 15.373 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.505 2.691 15.898 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.529 1.084 16.597 1.00 0.00 H new ATOM 0 HG SER A 82 -6.720 2.674 18.078 1.00 0.00 H new ATOM 1216 N VAL A 83 -6.644 2.487 13.079 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.323 2.598 11.790 1.00 0.00 C ATOM 1218 C VAL A 83 -6.331 2.467 10.637 1.00 0.00 C ATOM 1219 O VAL A 83 -5.208 2.971 10.709 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.081 3.936 11.651 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -8.946 3.936 10.397 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -8.924 4.208 12.889 1.00 0.00 C ATOM 0 H VAL A 83 -6.118 3.318 13.350 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.045 1.782 11.747 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.347 4.736 11.558 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.472 4.888 10.318 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.315 3.796 9.520 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.671 3.125 10.455 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.450 5.155 12.770 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.649 3.405 13.019 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.278 4.259 13.765 1.00 0.00 H new ATOM 1232 N VAL A 84 -6.760 1.788 9.576 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.926 1.584 8.398 1.00 0.00 C ATOM 1234 C VAL A 84 -6.602 2.155 7.156 1.00 0.00 C ATOM 1235 O VAL A 84 -7.655 1.673 6.739 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.623 0.087 8.164 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -4.588 -0.081 7.061 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -5.154 -0.579 9.452 1.00 0.00 C ATOM 0 H VAL A 84 -7.687 1.368 9.510 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.986 2.105 8.579 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.544 -0.403 7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.387 -1.141 6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.969 0.352 6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.666 0.426 7.347 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.947 -1.632 9.262 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.247 -0.089 9.806 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.932 -0.493 10.210 1.00 0.00 H new ATOM 1248 N THR A 85 -5.990 3.188 6.576 1.00 0.00 N ATOM 1249 CA THR A 85 -6.531 3.834 5.382 1.00 0.00 C ATOM 1250 C THR A 85 -5.576 3.674 4.196 1.00 0.00 C ATOM 1251 O THR A 85 -4.711 4.520 3.965 1.00 0.00 O ATOM 1252 CB THR A 85 -6.806 5.320 5.653 1.00 0.00 C ATOM 1253 OG1 THR A 85 -7.023 5.554 7.036 1.00 0.00 O ATOM 1254 CG2 THR A 85 -8.014 5.847 4.906 1.00 0.00 C ATOM 0 H THR A 85 -5.118 3.595 6.915 1.00 0.00 H new ATOM 0 HA THR A 85 -7.473 3.347 5.129 1.00 0.00 H new ATOM 0 HB THR A 85 -5.917 5.844 5.302 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.194 6.508 7.184 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.155 6.902 5.140 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.858 5.731 3.834 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.900 5.288 5.206 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.738 2.576 3.454 1.00 0.00 N ATOM 1263 CA LEU A 86 -4.892 2.288 2.293 1.00 0.00 C ATOM 1264 C LEU A 86 -5.611 2.619 0.986 1.00 0.00 C ATOM 1265 O LEU A 86 -6.767 2.242 0.794 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.482 0.812 2.287 1.00 0.00 C ATOM 1267 CG LEU A 86 -3.516 0.398 3.399 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -3.824 -1.014 3.873 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -2.076 0.501 2.918 1.00 0.00 C ATOM 0 H LEU A 86 -6.450 1.869 3.637 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.003 2.915 2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.382 0.202 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.023 0.583 1.325 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.646 1.078 4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.128 -1.292 4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.844 -1.055 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.722 -1.708 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.402 0.203 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.931 -0.156 2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.862 1.530 2.628 1.00 0.00 H new ATOM 1281 N GLU A 87 -4.913 3.314 0.087 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.481 3.685 -1.208 1.00 0.00 C ATOM 1283 C GLU A 87 -4.725 3.010 -2.348 1.00 0.00 C ATOM 1284 O GLU A 87 -3.499 3.111 -2.437 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.453 5.204 -1.392 1.00 0.00 C ATOM 1286 CG GLU A 87 -6.056 5.678 -2.707 1.00 0.00 C ATOM 1287 CD GLU A 87 -6.049 7.189 -2.843 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -4.947 7.779 -2.870 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -7.145 7.783 -2.926 1.00 0.00 O ATOM 0 H GLU A 87 -3.954 3.631 0.232 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.516 3.345 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.993 5.670 -0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.421 5.548 -1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.500 5.240 -3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.081 5.315 -2.784 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.467 2.328 -3.219 1.00 0.00 N ATOM 1297 CA VAL A 88 -4.874 1.639 -4.363 1.00 0.00 C ATOM 1298 C VAL A 88 -5.492 2.112 -5.678 1.00 0.00 C ATOM 1299 O VAL A 88 -6.491 2.835 -5.685 1.00 0.00 O ATOM 1300 CB VAL A 88 -5.036 0.106 -4.259 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -4.264 -0.440 -3.067 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -6.507 -0.280 -4.178 1.00 0.00 C ATOM 0 H VAL A 88 -6.481 2.238 -3.154 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.812 1.884 -4.351 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.621 -0.340 -5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.393 -1.521 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.206 -0.206 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.640 0.015 -2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.595 -1.364 -4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.956 0.180 -3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.024 0.067 -5.073 1.00 0.00 H new ATOM 1312 N ALA A 89 -4.890 1.690 -6.789 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.372 2.057 -8.118 1.00 0.00 C ATOM 1314 C ALA A 89 -5.601 0.816 -8.976 1.00 0.00 C ATOM 1315 O ALA A 89 -4.746 -0.071 -9.034 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.383 2.994 -8.801 1.00 0.00 C ATOM 0 H ALA A 89 -4.064 1.091 -6.794 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.325 2.574 -8.002 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.756 3.258 -9.790 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.266 3.898 -8.204 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.418 2.496 -8.898 1.00 0.00 H new ATOM 1322 N LYS A 90 -6.755 0.763 -9.645 1.00 0.00 N ATOM 1323 CA LYS A 90 -7.092 -0.370 -10.508 1.00 0.00 C ATOM 1324 C LYS A 90 -6.213 -0.369 -11.756 1.00 0.00 C ATOM 1325 O LYS A 90 -6.533 0.281 -12.754 1.00 0.00 O ATOM 1326 CB LYS A 90 -8.571 -0.329 -10.911 1.00 0.00 C ATOM 1327 CG LYS A 90 -9.532 -0.520 -9.748 1.00 0.00 C ATOM 1328 CD LYS A 90 -9.386 -1.895 -9.114 1.00 0.00 C ATOM 1329 CE LYS A 90 -10.342 -2.073 -7.943 1.00 0.00 C ATOM 1330 NZ LYS A 90 -10.006 -1.171 -6.805 1.00 0.00 N ATOM 0 H LYS A 90 -7.470 1.490 -9.606 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.911 -1.287 -9.947 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.781 0.628 -11.389 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.757 -1.105 -11.654 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.350 0.248 -8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.556 -0.388 -10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.578 -2.664 -9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.360 -2.032 -8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.361 -1.875 -8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.313 -3.109 -7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.568 -1.439 -5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.994 -1.256 -6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.222 -0.188 -7.066 1.00 0.00 H new ATOM 1344 N GLN A 91 -5.099 -1.094 -11.684 1.00 0.00 N ATOM 1345 CA GLN A 91 -4.156 -1.181 -12.796 1.00 0.00 C ATOM 1346 C GLN A 91 -3.325 -2.461 -12.708 1.00 0.00 C ATOM 1347 O GLN A 91 -3.419 -3.209 -11.732 1.00 0.00 O ATOM 1348 CB GLN A 91 -3.231 0.042 -12.812 1.00 0.00 C ATOM 1349 CG GLN A 91 -2.674 0.408 -11.443 1.00 0.00 C ATOM 1350 CD GLN A 91 -1.162 0.304 -11.380 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -0.664 -0.678 -10.638 1.00 0.00 O flip ATOM 1352 NE2 GLN A 91 -0.448 1.099 -11.991 1.00 0.00 N flip ATOM 0 H GLN A 91 -4.826 -1.633 -10.862 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.730 -1.204 -13.722 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.401 -0.150 -13.492 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.779 0.895 -13.211 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.975 1.425 -11.193 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -3.111 -0.248 -10.690 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.872 1.839 -12.550 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.567 1.017 -11.938 1.00 0.00 H new ATOM 1361 N GLY A 92 -2.512 -2.703 -13.735 1.00 0.00 N ATOM 1362 CA GLY A 92 -1.675 -3.891 -13.763 1.00 0.00 C ATOM 1363 C GLY A 92 -2.298 -5.056 -14.500 1.00 0.00 C ATOM 1364 O GLY A 92 -1.706 -6.131 -14.603 1.00 0.00 O ATOM 0 H GLY A 92 -2.418 -2.096 -14.549 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.723 -3.643 -14.232 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.456 -4.195 -12.739 1.00 0.00 H new ATOM 1368 N ALA A 93 -3.487 -4.825 -15.007 1.00 0.00 N ATOM 1369 CA ALA A 93 -4.239 -5.830 -15.754 1.00 0.00 C ATOM 1370 C ALA A 93 -4.653 -5.307 -17.131 1.00 0.00 C ATOM 1371 O ALA A 93 -4.828 -4.077 -17.274 1.00 0.00 O ATOM 1372 CB ALA A 93 -5.466 -6.261 -14.964 1.00 0.00 C ATOM 1373 OXT ALA A 93 -4.801 -6.134 -18.057 1.00 0.00 O ATOM 0 H ALA A 93 -3.970 -3.931 -14.917 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.590 -6.692 -15.905 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.019 -7.010 -15.531 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.154 -6.685 -14.010 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.106 -5.397 -14.785 1.00 0.00 H new TER 1379 ALA A 93 ATOM 1380 N LEU B 99 12.560 -2.675 1.338 1.00 0.00 N ATOM 1381 CA LEU B 99 13.323 -2.105 0.187 1.00 0.00 C ATOM 1382 C LEU B 99 12.585 -2.330 -1.133 1.00 0.00 C ATOM 1383 O LEU B 99 12.462 -1.413 -1.948 1.00 0.00 O ATOM 1384 CB LEU B 99 14.717 -2.749 0.133 1.00 0.00 C ATOM 1385 CG LEU B 99 15.806 -2.023 0.932 1.00 0.00 C ATOM 1386 CD1 LEU B 99 16.057 -0.635 0.359 1.00 0.00 C ATOM 1387 CD2 LEU B 99 15.423 -1.937 2.402 1.00 0.00 C ATOM 0 HA LEU B 99 13.421 -1.029 0.332 1.00 0.00 H new ATOM 0 HB2 LEU B 99 14.641 -3.772 0.501 1.00 0.00 H new ATOM 0 HB3 LEU B 99 15.032 -2.807 -0.909 1.00 0.00 H new ATOM 0 HG LEU B 99 16.730 -2.596 0.852 1.00 0.00 H new ATOM 0 HD11 LEU B 99 16.833 -0.136 0.940 1.00 0.00 H new ATOM 0 HD12 LEU B 99 16.380 -0.723 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU B 99 15.138 -0.051 0.405 1.00 0.00 H new ATOM 0 HD21 LEU B 99 16.208 -1.419 2.953 1.00 0.00 H new ATOM 0 HD22 LEU B 99 14.486 -1.389 2.502 1.00 0.00 H new ATOM 0 HD23 LEU B 99 15.300 -2.942 2.805 1.00 0.00 H new ATOM 1401 N PHE B 100 12.095 -3.554 -1.336 1.00 0.00 N ATOM 1402 CA PHE B 100 11.363 -3.901 -2.557 1.00 0.00 C ATOM 1403 C PHE B 100 10.706 -5.286 -2.451 1.00 0.00 C ATOM 1404 O PHE B 100 10.564 -5.990 -3.453 1.00 0.00 O ATOM 1405 CB PHE B 100 12.302 -3.850 -3.770 1.00 0.00 C ATOM 1406 CG PHE B 100 13.346 -4.937 -3.782 1.00 0.00 C ATOM 1407 CD1 PHE B 100 14.297 -5.025 -2.775 1.00 0.00 C ATOM 1408 CD2 PHE B 100 13.373 -5.870 -4.805 1.00 0.00 C ATOM 1409 CE1 PHE B 100 15.251 -6.026 -2.790 1.00 0.00 C ATOM 1410 CE2 PHE B 100 14.324 -6.871 -4.825 1.00 0.00 C ATOM 1411 CZ PHE B 100 15.264 -6.949 -3.816 1.00 0.00 C ATOM 0 H PHE B 100 12.191 -4.322 -0.672 1.00 0.00 H new ATOM 0 HA PHE B 100 10.568 -3.167 -2.687 1.00 0.00 H new ATOM 0 HB2 PHE B 100 11.707 -3.921 -4.681 1.00 0.00 H new ATOM 0 HB3 PHE B 100 12.801 -2.881 -3.790 1.00 0.00 H new ATOM 0 HD1 PHE B 100 14.292 -4.304 -1.971 1.00 0.00 H new ATOM 0 HD2 PHE B 100 12.641 -5.814 -5.597 1.00 0.00 H new ATOM 0 HE1 PHE B 100 15.985 -6.085 -2.000 1.00 0.00 H new ATOM 0 HE2 PHE B 100 14.333 -7.592 -5.629 1.00 0.00 H new ATOM 0 HZ PHE B 100 16.008 -7.731 -3.830 1.00 0.00 H new ATOM 1421 N SER B 101 10.307 -5.668 -1.232 1.00 0.00 N ATOM 1422 CA SER B 101 9.667 -6.967 -0.986 1.00 0.00 C ATOM 1423 C SER B 101 9.567 -7.249 0.518 1.00 0.00 C ATOM 1424 O SER B 101 9.840 -8.364 0.969 1.00 0.00 O ATOM 1425 CB SER B 101 10.448 -8.096 -1.676 1.00 0.00 C ATOM 1426 OG SER B 101 11.846 -7.922 -1.514 1.00 0.00 O ATOM 0 H SER B 101 10.417 -5.093 -0.397 1.00 0.00 H new ATOM 0 HA SER B 101 8.661 -6.928 -1.403 1.00 0.00 H new ATOM 0 HB2 SER B 101 10.147 -9.058 -1.260 1.00 0.00 H new ATOM 0 HB3 SER B 101 10.201 -8.117 -2.738 1.00 0.00 H new ATOM 0 HG SER B 101 12.321 -8.654 -1.961 1.00 0.00 H new ATOM 1432 N THR B 102 9.176 -6.234 1.291 1.00 0.00 N ATOM 1433 CA THR B 102 9.045 -6.380 2.739 1.00 0.00 C ATOM 1434 C THR B 102 7.680 -6.958 3.104 1.00 0.00 C ATOM 1435 O THR B 102 6.895 -7.322 2.225 1.00 0.00 O ATOM 1436 CB THR B 102 9.256 -5.027 3.433 1.00 0.00 C ATOM 1437 OG1 THR B 102 9.680 -5.211 4.774 1.00 0.00 O ATOM 1438 CG2 THR B 102 8.016 -4.157 3.459 1.00 0.00 C ATOM 0 H THR B 102 8.945 -5.305 0.938 1.00 0.00 H new ATOM 0 HA THR B 102 9.812 -7.073 3.084 1.00 0.00 H new ATOM 0 HB THR B 102 10.018 -4.520 2.841 1.00 0.00 H new ATOM 0 HG1 THR B 102 9.811 -4.337 5.199 1.00 0.00 H new ATOM 0 HG21 THR B 102 8.241 -3.218 3.965 1.00 0.00 H new ATOM 0 HG22 THR B 102 7.694 -3.951 2.438 1.00 0.00 H new ATOM 0 HG23 THR B 102 7.219 -4.675 3.993 1.00 0.00 H new ATOM 1446 N GLU B 103 7.404 -7.035 4.404 1.00 0.00 N ATOM 1447 CA GLU B 103 6.136 -7.564 4.888 1.00 0.00 C ATOM 1448 C GLU B 103 5.510 -6.614 5.908 1.00 0.00 C ATOM 1449 O GLU B 103 5.616 -6.824 7.119 1.00 0.00 O ATOM 1450 CB GLU B 103 6.332 -8.955 5.504 1.00 0.00 C ATOM 1451 CG GLU B 103 7.327 -9.830 4.752 1.00 0.00 C ATOM 1452 CD GLU B 103 8.715 -9.799 5.365 1.00 0.00 C ATOM 1453 OE1 GLU B 103 8.942 -10.523 6.357 1.00 0.00 O ATOM 1454 OE2 GLU B 103 9.574 -9.050 4.853 1.00 0.00 O ATOM 0 H GLU B 103 8.044 -6.737 5.140 1.00 0.00 H new ATOM 0 HA GLU B 103 5.458 -7.654 4.039 1.00 0.00 H new ATOM 0 HB2 GLU B 103 6.670 -8.841 6.534 1.00 0.00 H new ATOM 0 HB3 GLU B 103 5.369 -9.465 5.539 1.00 0.00 H new ATOM 0 HG2 GLU B 103 6.963 -10.857 4.738 1.00 0.00 H new ATOM 0 HG3 GLU B 103 7.385 -9.499 3.715 1.00 0.00 H new ATOM 1461 N VAL B 104 4.865 -5.563 5.405 1.00 0.00 N ATOM 1462 CA VAL B 104 4.222 -4.566 6.259 1.00 0.00 C ATOM 1463 C VAL B 104 2.945 -5.119 6.909 1.00 0.00 C ATOM 1464 O VAL B 104 2.670 -4.753 8.071 1.00 0.00 O ATOM 1465 CB VAL B 104 3.898 -3.276 5.465 1.00 0.00 C ATOM 1466 CG1 VAL B 104 2.885 -3.553 4.362 1.00 0.00 C ATOM 1467 CG2 VAL B 104 3.405 -2.178 6.396 1.00 0.00 C ATOM 1468 OXT VAL B 104 2.240 -5.923 6.259 1.00 0.00 O ATOM 0 H VAL B 104 4.774 -5.379 4.406 1.00 0.00 H new ATOM 0 HA VAL B 104 4.929 -4.320 7.051 1.00 0.00 H new ATOM 0 HB VAL B 104 4.818 -2.930 4.993 1.00 0.00 H new ATOM 0 HG11 VAL B 104 2.675 -2.631 3.820 1.00 0.00 H new ATOM 0 HG12 VAL B 104 3.291 -4.294 3.673 1.00 0.00 H new ATOM 0 HG13 VAL B 104 1.963 -3.933 4.802 1.00 0.00 H new ATOM 0 HG21 VAL B 104 3.184 -1.282 5.816 1.00 0.00 H new ATOM 0 HG22 VAL B 104 2.502 -2.512 6.907 1.00 0.00 H new ATOM 0 HG23 VAL B 104 4.176 -1.952 7.133 1.00 0.00 H new TER 1478 VAL B 104