USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 714 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 75 ASN : amide:sc= -0.386! C(o=-1.5!,f=-4.6!) USER MOD Set 1.2: A 94 SER OG : rot -85:sc= -1.08 USER MOD Single : A 16 SER OG : rot 146:sc= 1.14 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -12.4! C(o=-12!,f=-11!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -121:sc= 0.279 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -157:sc= -1.77 (180deg=-4.25!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -151:sc= -0.122 (180deg=-0.662) USER MOD Single : A 50 TYR OH : rot -151:sc= -2.38 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.866 X(o=-0.87,f=-1.3) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-1.6) USER MOD Single : A 79 THR OG1 : rot 116:sc= -4.95! USER MOD Single : A 84 CYS SG : rot 180:sc= -0.935 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= -0.0667 USER MOD Single : A 105 ASN : amide:sc= -3.05 K(o=-3.1,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -11.796 -11.390 -14.866 1.00 0.00 N ATOM 2 CA SER A 16 -11.075 -11.795 -13.630 1.00 0.00 C ATOM 3 C SER A 16 -10.497 -13.202 -13.761 1.00 0.00 C ATOM 4 O SER A 16 -11.168 -14.189 -13.458 1.00 0.00 O ATOM 5 CB SER A 16 -12.054 -11.736 -12.456 1.00 0.00 C ATOM 6 OG SER A 16 -11.411 -12.075 -11.240 1.00 0.00 O ATOM 0 HA SER A 16 -10.241 -11.113 -13.463 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.477 -10.734 -12.381 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.884 -12.420 -12.635 1.00 0.00 H new ATOM 0 HG SER A 16 -11.798 -11.551 -10.508 1.00 0.00 H new ATOM 14 N PRO A 17 -9.238 -13.315 -14.218 1.00 0.00 N ATOM 15 CA PRO A 17 -8.574 -14.613 -14.387 1.00 0.00 C ATOM 16 C PRO A 17 -8.278 -15.285 -13.051 1.00 0.00 C ATOM 17 O PRO A 17 -8.315 -14.644 -12.001 1.00 0.00 O ATOM 18 CB PRO A 17 -7.273 -14.257 -15.109 1.00 0.00 C ATOM 19 CG PRO A 17 -7.012 -12.836 -14.748 1.00 0.00 C ATOM 20 CD PRO A 17 -8.363 -12.192 -14.603 1.00 0.00 C ATOM 0 HA PRO A 17 -9.196 -15.323 -14.932 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.455 -14.903 -14.790 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.373 -14.379 -16.188 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.445 -12.767 -13.820 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.423 -12.339 -15.519 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -8.356 -11.410 -13.844 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.690 -11.729 -15.534 1.00 0.00 H new ATOM 28 N THR A 18 -7.988 -16.583 -13.097 1.00 0.00 N ATOM 29 CA THR A 18 -7.690 -17.344 -11.890 1.00 0.00 C ATOM 30 C THR A 18 -6.609 -16.654 -11.053 1.00 0.00 C ATOM 31 O THR A 18 -6.840 -16.316 -9.892 1.00 0.00 O ATOM 32 CB THR A 18 -7.266 -18.774 -12.257 1.00 0.00 C ATOM 33 OG1 THR A 18 -8.384 -19.529 -12.686 1.00 0.00 O ATOM 34 CG2 THR A 18 -6.617 -19.531 -11.116 1.00 0.00 C ATOM 0 H THR A 18 -7.953 -17.128 -13.958 1.00 0.00 H new ATOM 0 HA THR A 18 -8.595 -17.392 -11.284 1.00 0.00 H new ATOM 0 HB THR A 18 -6.530 -18.656 -13.052 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.096 -20.437 -12.918 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.345 -20.532 -11.451 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.721 -19.002 -10.791 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.317 -19.605 -10.284 1.00 0.00 H new ATOM 42 N PRO A 19 -5.412 -16.431 -11.626 1.00 0.00 N ATOM 43 CA PRO A 19 -4.310 -15.774 -10.915 1.00 0.00 C ATOM 44 C PRO A 19 -4.573 -14.290 -10.684 1.00 0.00 C ATOM 45 O PRO A 19 -5.090 -13.599 -11.561 1.00 0.00 O ATOM 46 CB PRO A 19 -3.118 -15.964 -11.853 1.00 0.00 C ATOM 47 CG PRO A 19 -3.723 -16.089 -13.208 1.00 0.00 C ATOM 48 CD PRO A 19 -5.036 -16.794 -13.007 1.00 0.00 C ATOM 0 HA PRO A 19 -4.159 -16.195 -9.921 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.434 -15.117 -11.801 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.545 -16.853 -11.591 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.871 -15.109 -13.662 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.073 -16.655 -13.876 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.784 -16.463 -13.727 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.935 -17.873 -13.125 1.00 0.00 H new ATOM 56 N VAL A 20 -4.214 -13.807 -9.496 1.00 0.00 N ATOM 57 CA VAL A 20 -4.408 -12.404 -9.143 1.00 0.00 C ATOM 58 C VAL A 20 -3.949 -11.476 -10.262 1.00 0.00 C ATOM 59 O VAL A 20 -3.312 -11.908 -11.221 1.00 0.00 O ATOM 60 CB VAL A 20 -3.637 -12.040 -7.862 1.00 0.00 C ATOM 61 CG1 VAL A 20 -4.258 -12.717 -6.651 1.00 0.00 C ATOM 62 CG2 VAL A 20 -2.170 -12.416 -8.002 1.00 0.00 C ATOM 0 H VAL A 20 -3.786 -14.369 -8.760 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.477 -12.271 -8.979 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.701 -10.962 -7.714 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.698 -12.447 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.293 -12.392 -6.543 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.229 -13.798 -6.784 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.638 -12.152 -7.088 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.084 -13.489 -8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.735 -11.877 -8.843 1.00 0.00 H new ATOM 72 N GLU A 21 -4.273 -10.196 -10.125 1.00 0.00 N ATOM 73 CA GLU A 21 -3.890 -9.201 -11.117 1.00 0.00 C ATOM 74 C GLU A 21 -3.063 -8.095 -10.474 1.00 0.00 C ATOM 75 O GLU A 21 -3.506 -7.446 -9.525 1.00 0.00 O ATOM 76 CB GLU A 21 -5.130 -8.605 -11.782 1.00 0.00 C ATOM 77 CG GLU A 21 -5.713 -9.477 -12.882 1.00 0.00 C ATOM 78 CD GLU A 21 -5.975 -8.705 -14.161 1.00 0.00 C ATOM 79 OE1 GLU A 21 -4.999 -8.383 -14.872 1.00 0.00 O ATOM 80 OE2 GLU A 21 -7.157 -8.425 -14.453 1.00 0.00 O ATOM 0 H GLU A 21 -4.801 -9.823 -9.336 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.285 -9.694 -11.878 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.893 -8.436 -11.022 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.875 -7.631 -12.200 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.027 -10.298 -13.092 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.645 -9.921 -12.533 1.00 0.00 H new ATOM 87 N LEU A 22 -1.858 -7.886 -10.994 1.00 0.00 N ATOM 88 CA LEU A 22 -0.970 -6.860 -10.470 1.00 0.00 C ATOM 89 C LEU A 22 -1.603 -5.479 -10.582 1.00 0.00 C ATOM 90 O LEU A 22 -2.359 -5.205 -11.513 1.00 0.00 O ATOM 91 CB LEU A 22 0.357 -6.885 -11.220 1.00 0.00 C ATOM 92 CG LEU A 22 1.390 -7.854 -10.659 1.00 0.00 C ATOM 93 CD1 LEU A 22 2.643 -7.858 -11.520 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.729 -7.488 -9.223 1.00 0.00 C ATOM 0 H LEU A 22 -1.476 -8.415 -11.778 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.793 -7.071 -9.415 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.165 -7.144 -12.261 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.781 -5.881 -11.214 1.00 0.00 H new ATOM 0 HG LEU A 22 0.966 -8.858 -10.671 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.369 -8.556 -11.103 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.387 -8.164 -12.534 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.073 -6.857 -11.541 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.468 -8.188 -8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.135 -6.477 -9.191 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.827 -7.536 -8.613 1.00 0.00 H new ATOM 106 N HIS A 23 -1.285 -4.615 -9.627 1.00 0.00 N ATOM 107 CA HIS A 23 -1.819 -3.262 -9.615 1.00 0.00 C ATOM 108 C HIS A 23 -0.917 -2.342 -8.796 1.00 0.00 C ATOM 109 O HIS A 23 -0.744 -2.532 -7.591 1.00 0.00 O ATOM 110 CB HIS A 23 -3.260 -3.277 -9.072 1.00 0.00 C ATOM 111 CG HIS A 23 -3.546 -2.261 -8.007 1.00 0.00 C ATOM 112 ND1 HIS A 23 -3.332 -0.909 -8.177 1.00 0.00 N ATOM 113 CD2 HIS A 23 -4.046 -2.408 -6.759 1.00 0.00 C ATOM 114 CE1 HIS A 23 -3.686 -0.270 -7.076 1.00 0.00 C ATOM 115 NE2 HIS A 23 -4.124 -1.155 -6.200 1.00 0.00 N ATOM 0 H HIS A 23 -0.659 -4.829 -8.850 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.845 -2.872 -10.633 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.947 -3.114 -9.902 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.472 -4.269 -8.673 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -2.959 -0.472 -9.020 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.331 -3.338 -6.289 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -3.627 0.797 -6.919 1.00 0.00 H new ATOM 124 N LYS A 24 -0.336 -1.350 -9.464 1.00 0.00 N ATOM 125 CA LYS A 24 0.554 -0.400 -8.808 1.00 0.00 C ATOM 126 C LYS A 24 -0.238 0.582 -7.954 1.00 0.00 C ATOM 127 O LYS A 24 -1.104 1.298 -8.455 1.00 0.00 O ATOM 128 CB LYS A 24 1.381 0.358 -9.848 1.00 0.00 C ATOM 129 CG LYS A 24 0.542 0.992 -10.949 1.00 0.00 C ATOM 130 CD LYS A 24 0.996 0.543 -12.329 1.00 0.00 C ATOM 131 CE LYS A 24 0.360 -0.780 -12.722 1.00 0.00 C ATOM 132 NZ LYS A 24 0.528 -1.070 -14.173 1.00 0.00 N ATOM 0 H LYS A 24 -0.467 -1.184 -10.462 1.00 0.00 H new ATOM 0 HA LYS A 24 1.228 -0.958 -8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.955 1.137 -9.346 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.099 -0.327 -10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.506 0.728 -10.806 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.609 2.078 -10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.737 1.305 -13.064 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.081 0.444 -12.342 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.806 -1.585 -12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.702 -0.759 -12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.080 -1.981 -14.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.080 -0.316 -14.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.541 -1.116 -14.403 1.00 0.00 H new ATOM 146 N VAL A 25 0.063 0.607 -6.660 1.00 0.00 N ATOM 147 CA VAL A 25 -0.625 1.498 -5.735 1.00 0.00 C ATOM 148 C VAL A 25 0.343 2.485 -5.094 1.00 0.00 C ATOM 149 O VAL A 25 1.496 2.155 -4.821 1.00 0.00 O ATOM 150 CB VAL A 25 -1.348 0.723 -4.609 1.00 0.00 C ATOM 151 CG1 VAL A 25 -2.750 1.275 -4.397 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.395 -0.771 -4.908 1.00 0.00 C ATOM 0 H VAL A 25 0.778 0.021 -6.229 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.364 2.035 -6.329 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.780 0.859 -3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.244 0.718 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.689 2.327 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.323 1.176 -5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.909 -1.288 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.930 -0.938 -5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.379 -1.156 -4.997 1.00 0.00 H new ATOM 162 N THR A 26 -0.144 3.693 -4.845 1.00 0.00 N ATOM 163 CA THR A 26 0.661 4.733 -4.222 1.00 0.00 C ATOM 164 C THR A 26 -0.141 5.424 -3.121 1.00 0.00 C ATOM 165 O THR A 26 -1.066 6.186 -3.403 1.00 0.00 O ATOM 166 CB THR A 26 1.109 5.758 -5.266 1.00 0.00 C ATOM 167 OG1 THR A 26 1.897 5.140 -6.267 1.00 0.00 O ATOM 168 CG2 THR A 26 1.919 6.896 -4.681 1.00 0.00 C ATOM 0 H THR A 26 -1.098 3.977 -5.067 1.00 0.00 H new ATOM 0 HA THR A 26 1.546 4.273 -3.783 1.00 0.00 H new ATOM 0 HB THR A 26 0.189 6.167 -5.683 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.781 5.562 -6.294 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.204 7.586 -5.475 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.321 7.425 -3.939 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.816 6.498 -4.207 1.00 0.00 H new ATOM 176 N LEU A 27 0.203 5.144 -1.868 1.00 0.00 N ATOM 177 CA LEU A 27 -0.504 5.734 -0.736 1.00 0.00 C ATOM 178 C LEU A 27 0.294 6.867 -0.102 1.00 0.00 C ATOM 179 O LEU A 27 1.446 7.109 -0.461 1.00 0.00 O ATOM 180 CB LEU A 27 -0.805 4.663 0.311 1.00 0.00 C ATOM 181 CG LEU A 27 -1.483 3.403 -0.229 1.00 0.00 C ATOM 182 CD1 LEU A 27 -0.442 2.386 -0.670 1.00 0.00 C ATOM 183 CD2 LEU A 27 -2.407 2.805 0.822 1.00 0.00 C ATOM 0 H LEU A 27 0.964 4.515 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.439 6.151 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.129 4.376 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.442 5.098 1.081 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.083 3.677 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.942 1.496 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.179 2.818 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.184 2.114 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.882 1.909 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.829 2.544 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.173 3.533 1.089 1.00 0.00 H new ATOM 195 N TYR A 28 -0.331 7.555 0.850 1.00 0.00 N ATOM 196 CA TYR A 28 0.311 8.662 1.548 1.00 0.00 C ATOM 197 C TYR A 28 0.316 8.414 3.054 1.00 0.00 C ATOM 198 O TYR A 28 -0.514 7.665 3.569 1.00 0.00 O ATOM 199 CB TYR A 28 -0.406 9.976 1.235 1.00 0.00 C ATOM 200 CG TYR A 28 -0.544 10.255 -0.246 1.00 0.00 C ATOM 201 CD1 TYR A 28 -1.327 9.440 -1.055 1.00 0.00 C ATOM 202 CD2 TYR A 28 0.108 11.331 -0.833 1.00 0.00 C ATOM 203 CE1 TYR A 28 -1.455 9.692 -2.409 1.00 0.00 C ATOM 204 CE2 TYR A 28 -0.014 11.589 -2.185 1.00 0.00 C ATOM 205 CZ TYR A 28 -0.796 10.767 -2.968 1.00 0.00 C ATOM 206 OH TYR A 28 -0.920 11.020 -4.315 1.00 0.00 O ATOM 0 H TYR A 28 -1.285 7.363 1.156 1.00 0.00 H new ATOM 0 HA TYR A 28 1.342 8.733 1.203 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.398 9.955 1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.139 10.797 1.701 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.843 8.597 -0.620 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.721 11.977 -0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.068 9.051 -3.025 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.500 12.430 -2.626 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.394 11.813 -4.549 1.00 0.00 H new ATOM 216 N LYS A 29 1.254 9.042 3.754 1.00 0.00 N ATOM 217 CA LYS A 29 1.362 8.878 5.200 1.00 0.00 C ATOM 218 C LYS A 29 0.986 10.162 5.931 1.00 0.00 C ATOM 219 O LYS A 29 0.992 11.247 5.348 1.00 0.00 O ATOM 220 CB LYS A 29 2.784 8.461 5.581 1.00 0.00 C ATOM 221 CG LYS A 29 2.840 7.507 6.763 1.00 0.00 C ATOM 222 CD LYS A 29 4.045 7.786 7.647 1.00 0.00 C ATOM 223 CE LYS A 29 3.684 7.705 9.122 1.00 0.00 C ATOM 224 NZ LYS A 29 4.805 8.158 9.992 1.00 0.00 N ATOM 0 H LYS A 29 1.949 9.667 3.346 1.00 0.00 H new ATOM 0 HA LYS A 29 0.664 8.096 5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.259 7.989 4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.365 9.353 5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.927 7.600 7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.883 6.480 6.401 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.835 7.068 7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.441 8.776 7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.804 8.318 9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.419 6.678 9.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.520 8.088 10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.638 7.557 9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.041 9.146 9.768 1.00 0.00 H new ATOM 238 N ASP A 30 0.657 10.030 7.211 1.00 0.00 N ATOM 239 CA ASP A 30 0.278 11.176 8.028 1.00 0.00 C ATOM 240 C ASP A 30 1.065 11.196 9.334 1.00 0.00 C ATOM 241 O ASP A 30 1.324 10.151 9.931 1.00 0.00 O ATOM 242 CB ASP A 30 -1.225 11.145 8.321 1.00 0.00 C ATOM 243 CG ASP A 30 -1.870 12.510 8.178 1.00 0.00 C ATOM 244 OD1 ASP A 30 -1.877 13.269 9.171 1.00 0.00 O ATOM 245 OD2 ASP A 30 -2.365 12.819 7.074 1.00 0.00 O ATOM 0 H ASP A 30 0.645 9.138 7.706 1.00 0.00 H new ATOM 0 HA ASP A 30 0.513 12.083 7.471 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.710 10.444 7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.388 10.773 9.333 1.00 0.00 H new ATOM 250 N SER A 31 1.441 12.393 9.776 1.00 0.00 N ATOM 251 CA SER A 31 2.198 12.551 11.013 1.00 0.00 C ATOM 252 C SER A 31 1.462 11.917 12.190 1.00 0.00 C ATOM 253 O SER A 31 2.085 11.441 13.140 1.00 0.00 O ATOM 254 CB SER A 31 2.451 14.033 11.293 1.00 0.00 C ATOM 255 OG SER A 31 3.245 14.205 12.454 1.00 0.00 O ATOM 0 H SER A 31 1.233 13.268 9.295 1.00 0.00 H new ATOM 0 HA SER A 31 3.154 12.042 10.891 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.950 14.488 10.437 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.500 14.550 11.419 1.00 0.00 H new ATOM 0 HG SER A 31 3.393 15.161 12.610 1.00 0.00 H new ATOM 261 N GLY A 32 0.135 11.914 12.119 1.00 0.00 N ATOM 262 CA GLY A 32 -0.662 11.336 13.185 1.00 0.00 C ATOM 263 C GLY A 32 -1.232 9.982 12.811 1.00 0.00 C ATOM 264 O GLY A 32 -2.368 9.661 13.160 1.00 0.00 O ATOM 0 H GLY A 32 -0.402 12.301 11.343 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.048 11.234 14.080 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.478 12.015 13.434 1.00 0.00 H new ATOM 268 N MET A 33 -0.442 9.185 12.097 1.00 0.00 N ATOM 269 CA MET A 33 -0.873 7.859 11.673 1.00 0.00 C ATOM 270 C MET A 33 0.328 6.964 11.387 1.00 0.00 C ATOM 271 O MET A 33 1.054 7.175 10.415 1.00 0.00 O ATOM 272 CB MET A 33 -1.749 7.962 10.424 1.00 0.00 C ATOM 273 CG MET A 33 -3.124 8.553 10.689 1.00 0.00 C ATOM 274 SD MET A 33 -4.057 7.622 11.920 1.00 0.00 S ATOM 275 CE MET A 33 -5.511 7.175 10.976 1.00 0.00 C ATOM 0 H MET A 33 0.501 9.436 11.800 1.00 0.00 H new ATOM 0 HA MET A 33 -1.452 7.416 12.483 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.237 8.574 9.682 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.868 6.969 9.991 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.013 9.584 11.026 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.688 8.582 9.757 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.338 6.971 11.656 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.781 7.997 10.313 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.300 6.285 10.383 1.00 0.00 H new ATOM 285 N GLU A 34 0.531 5.960 12.236 1.00 0.00 N ATOM 286 CA GLU A 34 1.644 5.035 12.068 1.00 0.00 C ATOM 287 C GLU A 34 1.383 4.073 10.916 1.00 0.00 C ATOM 288 O GLU A 34 2.311 3.596 10.264 1.00 0.00 O ATOM 289 CB GLU A 34 1.888 4.252 13.359 1.00 0.00 C ATOM 290 CG GLU A 34 2.057 5.137 14.583 1.00 0.00 C ATOM 291 CD GLU A 34 1.630 4.447 15.865 1.00 0.00 C ATOM 292 OE1 GLU A 34 0.428 4.509 16.200 1.00 0.00 O ATOM 293 OE2 GLU A 34 2.496 3.845 16.531 1.00 0.00 O ATOM 0 H GLU A 34 -0.060 5.768 13.045 1.00 0.00 H new ATOM 0 HA GLU A 34 2.534 5.619 11.835 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.053 3.572 13.525 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.780 3.638 13.239 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.101 5.439 14.667 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.472 6.047 14.452 1.00 0.00 H new ATOM 300 N ASP A 35 0.111 3.802 10.674 1.00 0.00 N ATOM 301 CA ASP A 35 -0.293 2.902 9.599 1.00 0.00 C ATOM 302 C ASP A 35 -0.387 3.653 8.276 1.00 0.00 C ATOM 303 O ASP A 35 -0.175 4.864 8.223 1.00 0.00 O ATOM 304 CB ASP A 35 -1.638 2.251 9.930 1.00 0.00 C ATOM 305 CG ASP A 35 -1.695 0.795 9.509 1.00 0.00 C ATOM 306 OD1 ASP A 35 -0.632 0.139 9.498 1.00 0.00 O ATOM 307 OD2 ASP A 35 -2.801 0.313 9.190 1.00 0.00 O ATOM 0 H ASP A 35 -0.665 4.193 11.208 1.00 0.00 H new ATOM 0 HA ASP A 35 0.463 2.123 9.502 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.820 2.324 11.002 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.437 2.802 9.433 1.00 0.00 H new ATOM 312 N PHE A 36 -0.708 2.930 7.207 1.00 0.00 N ATOM 313 CA PHE A 36 -0.830 3.538 5.887 1.00 0.00 C ATOM 314 C PHE A 36 -2.243 3.373 5.334 1.00 0.00 C ATOM 315 O PHE A 36 -2.442 3.315 4.121 1.00 0.00 O ATOM 316 CB PHE A 36 0.192 2.935 4.923 1.00 0.00 C ATOM 317 CG PHE A 36 1.201 3.935 4.433 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.875 4.833 3.429 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.473 3.983 4.982 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.799 5.758 2.981 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.402 4.905 4.537 1.00 0.00 C ATOM 322 CZ PHE A 36 3.064 5.794 3.535 1.00 0.00 C ATOM 0 H PHE A 36 -0.888 1.926 7.229 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.629 4.604 5.989 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.712 2.116 5.420 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.332 2.507 4.068 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.112 4.810 2.992 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.742 3.292 5.767 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.532 6.452 2.198 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.390 4.930 4.972 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.787 6.516 3.185 1.00 0.00 H new ATOM 332 N GLY A 37 -3.219 3.308 6.233 1.00 0.00 N ATOM 333 CA GLY A 37 -4.602 3.163 5.816 1.00 0.00 C ATOM 334 C GLY A 37 -4.992 1.728 5.517 1.00 0.00 C ATOM 335 O GLY A 37 -6.084 1.475 5.009 1.00 0.00 O ATOM 0 H GLY A 37 -3.078 3.353 7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.253 3.553 6.598 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.772 3.771 4.927 1.00 0.00 H new ATOM 339 N PHE A 38 -4.111 0.781 5.830 1.00 0.00 N ATOM 340 CA PHE A 38 -4.398 -0.627 5.583 1.00 0.00 C ATOM 341 C PHE A 38 -3.323 -1.528 6.184 1.00 0.00 C ATOM 342 O PHE A 38 -2.131 -1.344 5.935 1.00 0.00 O ATOM 343 CB PHE A 38 -4.551 -0.884 4.079 1.00 0.00 C ATOM 344 CG PHE A 38 -3.256 -0.974 3.315 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.652 0.165 2.801 1.00 0.00 C ATOM 346 CD2 PHE A 38 -2.653 -2.203 3.097 1.00 0.00 C ATOM 347 CE1 PHE A 38 -1.471 0.075 2.086 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.478 -2.296 2.379 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.886 -1.158 1.874 1.00 0.00 C ATOM 0 H PHE A 38 -3.200 0.962 6.252 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.340 -0.871 6.074 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.104 -1.813 3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.155 -0.085 3.648 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.108 1.131 2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.108 -3.098 3.494 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.007 0.968 1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.022 -3.261 2.213 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.034 -1.231 1.313 1.00 0.00 H new ATOM 359 N SER A 39 -3.756 -2.503 6.982 1.00 0.00 N ATOM 360 CA SER A 39 -2.838 -3.433 7.626 1.00 0.00 C ATOM 361 C SER A 39 -2.670 -4.698 6.795 1.00 0.00 C ATOM 362 O SER A 39 -3.587 -5.114 6.084 1.00 0.00 O ATOM 363 CB SER A 39 -3.338 -3.790 9.028 1.00 0.00 C ATOM 364 OG SER A 39 -2.263 -3.889 9.945 1.00 0.00 O ATOM 0 H SER A 39 -4.740 -2.667 7.197 1.00 0.00 H new ATOM 0 HA SER A 39 -1.867 -2.945 7.708 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.042 -3.032 9.370 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.879 -4.736 8.994 1.00 0.00 H new ATOM 0 HG SER A 39 -2.610 -4.116 10.833 1.00 0.00 H new ATOM 370 N VAL A 40 -1.491 -5.304 6.895 1.00 0.00 N ATOM 371 CA VAL A 40 -1.186 -6.523 6.157 1.00 0.00 C ATOM 372 C VAL A 40 -0.795 -7.657 7.098 1.00 0.00 C ATOM 373 O VAL A 40 -0.252 -7.421 8.178 1.00 0.00 O ATOM 374 CB VAL A 40 -0.047 -6.291 5.147 1.00 0.00 C ATOM 375 CG1 VAL A 40 -0.485 -5.317 4.065 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.200 -5.785 5.858 1.00 0.00 C ATOM 0 H VAL A 40 -0.728 -4.968 7.483 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.091 -6.803 5.619 1.00 0.00 H new ATOM 0 HB VAL A 40 0.194 -7.242 4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.332 -5.165 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.348 -5.723 3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.754 -4.364 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.995 -5.626 5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.976 -4.844 6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.524 -6.521 6.594 1.00 0.00 H new ATOM 386 N ALA A 41 -1.073 -8.888 6.682 1.00 0.00 N ATOM 387 CA ALA A 41 -0.751 -10.060 7.488 1.00 0.00 C ATOM 388 C ALA A 41 0.422 -10.831 6.891 1.00 0.00 C ATOM 389 O ALA A 41 0.946 -10.466 5.840 1.00 0.00 O ATOM 390 CB ALA A 41 -1.969 -10.963 7.614 1.00 0.00 C ATOM 0 H ALA A 41 -1.521 -9.100 5.791 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.460 -9.719 8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.715 -11.834 8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.781 -10.414 8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.285 -11.288 6.623 1.00 0.00 H new ATOM 396 N ASP A 42 0.827 -11.900 7.568 1.00 0.00 N ATOM 397 CA ASP A 42 1.939 -12.722 7.101 1.00 0.00 C ATOM 398 C ASP A 42 1.437 -13.910 6.288 1.00 0.00 C ATOM 399 O ASP A 42 0.242 -14.208 6.276 1.00 0.00 O ATOM 400 CB ASP A 42 2.768 -13.216 8.290 1.00 0.00 C ATOM 401 CG ASP A 42 4.213 -13.483 7.917 1.00 0.00 C ATOM 402 OD1 ASP A 42 4.668 -12.949 6.884 1.00 0.00 O ATOM 403 OD2 ASP A 42 4.890 -14.227 8.658 1.00 0.00 O ATOM 0 H ASP A 42 0.404 -12.218 8.440 1.00 0.00 H new ATOM 0 HA ASP A 42 2.567 -12.106 6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.733 -12.474 9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.323 -14.129 8.685 1.00 0.00 H new ATOM 408 N GLY A 43 2.359 -14.588 5.610 1.00 0.00 N ATOM 409 CA GLY A 43 1.994 -15.740 4.806 1.00 0.00 C ATOM 410 C GLY A 43 2.210 -17.042 5.547 1.00 0.00 C ATOM 411 O GLY A 43 3.348 -17.442 5.793 1.00 0.00 O ATOM 0 H GLY A 43 3.353 -14.359 5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.947 -15.660 4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.583 -15.743 3.889 1.00 0.00 H new ATOM 415 N LEU A 44 1.117 -17.698 5.912 1.00 0.00 N ATOM 416 CA LEU A 44 1.191 -18.956 6.638 1.00 0.00 C ATOM 417 C LEU A 44 1.124 -20.154 5.694 1.00 0.00 C ATOM 418 O LEU A 44 1.029 -21.296 6.140 1.00 0.00 O ATOM 419 CB LEU A 44 0.062 -19.038 7.669 1.00 0.00 C ATOM 420 CG LEU A 44 0.447 -18.607 9.088 1.00 0.00 C ATOM 421 CD1 LEU A 44 -0.539 -17.582 9.627 1.00 0.00 C ATOM 422 CD2 LEU A 44 0.521 -19.814 10.013 1.00 0.00 C ATOM 0 H LEU A 44 0.168 -17.379 5.717 1.00 0.00 H new ATOM 0 HA LEU A 44 2.152 -18.987 7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.766 -18.416 7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.304 -20.064 7.704 1.00 0.00 H new ATOM 0 HG LEU A 44 1.433 -18.143 9.047 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.246 -17.291 10.636 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.540 -16.704 8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.539 -18.016 9.651 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.796 -19.487 11.016 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.450 -20.308 10.045 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.271 -20.512 9.641 1.00 0.00 H new ATOM 434 N LEU A 45 1.159 -19.895 4.388 1.00 0.00 N ATOM 435 CA LEU A 45 1.085 -20.976 3.409 1.00 0.00 C ATOM 436 C LEU A 45 1.829 -20.656 2.109 1.00 0.00 C ATOM 437 O LEU A 45 1.849 -21.477 1.191 1.00 0.00 O ATOM 438 CB LEU A 45 -0.376 -21.294 3.101 1.00 0.00 C ATOM 439 CG LEU A 45 -0.776 -22.744 3.361 1.00 0.00 C ATOM 440 CD1 LEU A 45 0.064 -23.685 2.515 1.00 0.00 C ATOM 441 CD2 LEU A 45 -0.635 -23.075 4.837 1.00 0.00 C ATOM 0 H LEU A 45 1.237 -18.960 3.988 1.00 0.00 H new ATOM 0 HA LEU A 45 1.576 -21.842 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.011 -20.642 3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.574 -21.058 2.055 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.821 -22.873 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.233 -24.715 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.088 -23.459 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.117 -23.557 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.924 -24.112 5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.401 -22.932 5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.281 -22.419 5.420 1.00 0.00 H new ATOM 453 N GLU A 46 2.444 -19.479 2.024 1.00 0.00 N ATOM 454 CA GLU A 46 3.180 -19.099 0.822 1.00 0.00 C ATOM 455 C GLU A 46 4.208 -18.016 1.122 1.00 0.00 C ATOM 456 O GLU A 46 4.507 -17.182 0.269 1.00 0.00 O ATOM 457 CB GLU A 46 2.223 -18.619 -0.268 1.00 0.00 C ATOM 458 CG GLU A 46 1.009 -17.872 0.260 1.00 0.00 C ATOM 459 CD GLU A 46 -0.286 -18.624 0.029 1.00 0.00 C ATOM 460 OE1 GLU A 46 -0.713 -18.726 -1.140 1.00 0.00 O ATOM 461 OE2 GLU A 46 -0.875 -19.114 1.017 1.00 0.00 O ATOM 0 H GLU A 46 2.448 -18.778 2.765 1.00 0.00 H new ATOM 0 HA GLU A 46 3.707 -19.984 0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.767 -17.969 -0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.885 -19.480 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.134 -17.692 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.949 -16.897 -0.223 1.00 0.00 H new ATOM 468 N LYS A 47 4.743 -18.045 2.341 1.00 0.00 N ATOM 469 CA LYS A 47 5.747 -17.075 2.790 1.00 0.00 C ATOM 470 C LYS A 47 5.598 -15.727 2.081 1.00 0.00 C ATOM 471 O LYS A 47 6.181 -15.505 1.020 1.00 0.00 O ATOM 472 CB LYS A 47 7.154 -17.632 2.558 1.00 0.00 C ATOM 473 CG LYS A 47 7.857 -18.059 3.836 1.00 0.00 C ATOM 474 CD LYS A 47 8.364 -16.859 4.620 1.00 0.00 C ATOM 475 CE LYS A 47 8.306 -17.109 6.118 1.00 0.00 C ATOM 476 NZ LYS A 47 6.909 -17.299 6.595 1.00 0.00 N ATOM 0 H LYS A 47 4.495 -18.739 3.046 1.00 0.00 H new ATOM 0 HA LYS A 47 5.588 -16.908 3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.091 -18.487 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.757 -16.875 2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.170 -18.636 4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.693 -18.715 3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.390 -16.638 4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.766 -15.982 4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.896 -17.992 6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.758 -16.268 6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.834 -16.984 7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.261 -16.741 6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.655 -18.305 6.532 1.00 0.00 H new ATOM 490 N GLY A 48 4.814 -14.837 2.675 1.00 0.00 N ATOM 491 CA GLY A 48 4.599 -13.527 2.090 1.00 0.00 C ATOM 492 C GLY A 48 3.765 -12.628 2.980 1.00 0.00 C ATOM 493 O GLY A 48 3.666 -12.858 4.186 1.00 0.00 O ATOM 0 H GLY A 48 4.322 -14.999 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.563 -13.054 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.104 -13.639 1.125 1.00 0.00 H new ATOM 497 N VAL A 49 3.165 -11.600 2.387 1.00 0.00 N ATOM 498 CA VAL A 49 2.336 -10.664 3.138 1.00 0.00 C ATOM 499 C VAL A 49 1.238 -10.074 2.260 1.00 0.00 C ATOM 500 O VAL A 49 1.476 -9.709 1.108 1.00 0.00 O ATOM 501 CB VAL A 49 3.183 -9.518 3.733 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.302 -8.498 4.443 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.233 -10.072 4.683 1.00 0.00 C ATOM 0 H VAL A 49 3.237 -11.395 1.391 1.00 0.00 H new ATOM 0 HA VAL A 49 1.878 -11.226 3.952 1.00 0.00 H new ATOM 0 HB VAL A 49 3.690 -9.010 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.924 -7.702 4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.591 -8.074 3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.759 -8.987 5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.821 -9.251 5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.742 -10.608 5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.889 -10.754 4.142 1.00 0.00 H new ATOM 513 N TYR A 50 0.034 -9.977 2.817 1.00 0.00 N ATOM 514 CA TYR A 50 -1.106 -9.424 2.094 1.00 0.00 C ATOM 515 C TYR A 50 -1.915 -8.504 3.003 1.00 0.00 C ATOM 516 O TYR A 50 -1.763 -8.537 4.223 1.00 0.00 O ATOM 517 CB TYR A 50 -2.008 -10.543 1.550 1.00 0.00 C ATOM 518 CG TYR A 50 -1.384 -11.920 1.601 1.00 0.00 C ATOM 519 CD1 TYR A 50 -0.274 -12.230 0.824 1.00 0.00 C ATOM 520 CD2 TYR A 50 -1.904 -12.907 2.426 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.300 -13.486 0.870 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.336 -14.166 2.478 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.236 -14.449 1.697 1.00 0.00 C ATOM 524 OH TYR A 50 0.333 -15.699 1.747 1.00 0.00 O ATOM 0 H TYR A 50 -0.177 -10.275 3.769 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.722 -8.848 1.252 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.937 -10.556 2.120 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.271 -10.313 0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.147 -11.477 0.174 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.767 -12.688 3.038 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.163 -13.712 0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.751 -14.923 3.126 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.353 -16.362 1.970 1.00 0.00 H new ATOM 534 N VAL A 51 -2.769 -7.683 2.403 1.00 0.00 N ATOM 535 CA VAL A 51 -3.594 -6.755 3.168 1.00 0.00 C ATOM 536 C VAL A 51 -4.675 -7.492 3.950 1.00 0.00 C ATOM 537 O VAL A 51 -5.479 -8.231 3.379 1.00 0.00 O ATOM 538 CB VAL A 51 -4.256 -5.706 2.254 1.00 0.00 C ATOM 539 CG1 VAL A 51 -5.106 -4.738 3.066 1.00 0.00 C ATOM 540 CG2 VAL A 51 -3.198 -4.955 1.461 1.00 0.00 C ATOM 0 H VAL A 51 -2.908 -7.641 1.393 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.931 -6.247 3.868 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.912 -6.225 1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.563 -4.007 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.887 -5.290 3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.477 -4.223 3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.680 -4.217 0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.519 -4.450 2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.636 -5.659 0.846 1.00 0.00 H new ATOM 550 N LYS A 52 -4.689 -7.280 5.260 1.00 0.00 N ATOM 551 CA LYS A 52 -5.669 -7.912 6.131 1.00 0.00 C ATOM 552 C LYS A 52 -6.920 -7.052 6.244 1.00 0.00 C ATOM 553 O LYS A 52 -8.025 -7.559 6.436 1.00 0.00 O ATOM 554 CB LYS A 52 -5.055 -8.159 7.515 1.00 0.00 C ATOM 555 CG LYS A 52 -6.069 -8.496 8.601 1.00 0.00 C ATOM 556 CD LYS A 52 -5.755 -9.827 9.266 1.00 0.00 C ATOM 557 CE LYS A 52 -5.922 -10.986 8.297 1.00 0.00 C ATOM 558 NZ LYS A 52 -6.256 -12.255 9.003 1.00 0.00 N ATOM 0 H LYS A 52 -4.028 -6.672 5.744 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.957 -8.870 5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.336 -8.975 7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.499 -7.271 7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.075 -7.706 9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.069 -8.532 8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.733 -9.813 9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.412 -9.971 10.124 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.709 -10.750 7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.002 -11.118 7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.362 -13.021 8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.493 -12.494 9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.147 -12.137 9.526 1.00 0.00 H new ATOM 572 N ASN A 53 -6.734 -5.747 6.120 1.00 0.00 N ATOM 573 CA ASN A 53 -7.846 -4.807 6.204 1.00 0.00 C ATOM 574 C ASN A 53 -7.404 -3.394 5.840 1.00 0.00 C ATOM 575 O ASN A 53 -6.217 -3.072 5.881 1.00 0.00 O ATOM 576 CB ASN A 53 -8.443 -4.817 7.612 1.00 0.00 C ATOM 577 CG ASN A 53 -7.442 -4.389 8.667 1.00 0.00 C ATOM 578 OD1 ASN A 53 -7.063 -3.221 8.742 1.00 0.00 O ATOM 579 ND2 ASN A 53 -7.008 -5.337 9.490 1.00 0.00 N ATOM 0 H ASN A 53 -5.825 -5.313 5.961 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.605 -5.123 5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.306 -4.152 7.643 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.805 -5.819 7.843 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.333 -5.109 10.220 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.349 -6.293 9.392 1.00 0.00 H new ATOM 586 N ILE A 54 -8.372 -2.554 5.484 1.00 0.00 N ATOM 587 CA ILE A 54 -8.091 -1.174 5.113 1.00 0.00 C ATOM 588 C ILE A 54 -8.942 -0.207 5.933 1.00 0.00 C ATOM 589 O ILE A 54 -10.125 -0.452 6.170 1.00 0.00 O ATOM 590 CB ILE A 54 -8.342 -0.940 3.609 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.529 -1.954 2.783 1.00 0.00 C ATOM 592 CG2 ILE A 54 -8.003 0.497 3.226 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.713 -1.350 1.654 1.00 0.00 C ATOM 0 H ILE A 54 -9.359 -2.807 5.445 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.038 -0.986 5.324 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.399 -1.093 3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.856 -2.489 3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.214 -2.691 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.186 0.643 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.627 1.183 3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.953 0.693 3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.176 -2.141 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.378 -0.840 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.999 -0.635 2.063 1.00 0.00 H new ATOM 605 N ARG A 55 -8.327 0.886 6.373 1.00 0.00 N ATOM 606 CA ARG A 55 -9.020 1.887 7.177 1.00 0.00 C ATOM 607 C ARG A 55 -10.144 2.552 6.386 1.00 0.00 C ATOM 608 O ARG A 55 -10.106 2.602 5.157 1.00 0.00 O ATOM 609 CB ARG A 55 -8.034 2.947 7.669 1.00 0.00 C ATOM 610 CG ARG A 55 -6.961 2.396 8.595 1.00 0.00 C ATOM 611 CD ARG A 55 -6.536 3.426 9.629 1.00 0.00 C ATOM 612 NE ARG A 55 -5.633 2.857 10.628 1.00 0.00 N ATOM 613 CZ ARG A 55 -5.394 3.413 11.813 1.00 0.00 C ATOM 614 NH1 ARG A 55 -5.987 4.550 12.153 1.00 0.00 N ATOM 615 NH2 ARG A 55 -4.559 2.829 12.662 1.00 0.00 N ATOM 0 H ARG A 55 -7.348 1.102 6.186 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.460 1.379 8.035 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.555 3.413 6.808 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.585 3.730 8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.336 1.506 9.100 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.095 2.089 8.008 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.044 4.260 9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.419 3.828 10.125 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.158 1.983 10.403 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.631 5.003 11.504 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.799 4.971 13.063 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.101 1.954 12.406 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.375 3.255 13.571 1.00 0.00 H new ATOM 629 N PRO A 56 -11.164 3.074 7.090 1.00 0.00 N ATOM 630 CA PRO A 56 -12.306 3.738 6.455 1.00 0.00 C ATOM 631 C PRO A 56 -11.949 5.119 5.913 1.00 0.00 C ATOM 632 O PRO A 56 -11.847 6.084 6.671 1.00 0.00 O ATOM 633 CB PRO A 56 -13.318 3.859 7.594 1.00 0.00 C ATOM 634 CG PRO A 56 -12.486 3.918 8.829 1.00 0.00 C ATOM 635 CD PRO A 56 -11.283 3.054 8.561 1.00 0.00 C ATOM 0 HA PRO A 56 -12.674 3.182 5.593 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.932 4.753 7.486 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.997 3.007 7.614 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.189 4.943 9.050 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.043 3.554 9.692 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.389 3.451 9.041 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.424 2.041 8.938 1.00 0.00 H new ATOM 643 N ALA A 57 -11.761 5.200 4.595 1.00 0.00 N ATOM 644 CA ALA A 57 -11.415 6.458 3.929 1.00 0.00 C ATOM 645 C ALA A 57 -9.910 6.723 3.969 1.00 0.00 C ATOM 646 O ALA A 57 -9.427 7.675 3.355 1.00 0.00 O ATOM 647 CB ALA A 57 -12.177 7.628 4.537 1.00 0.00 C ATOM 0 H ALA A 57 -11.843 4.403 3.963 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.709 6.360 2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.900 8.549 4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.249 7.460 4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.928 7.714 5.595 1.00 0.00 H new ATOM 653 N GLY A 58 -9.173 5.882 4.692 1.00 0.00 N ATOM 654 CA GLY A 58 -7.737 6.056 4.789 1.00 0.00 C ATOM 655 C GLY A 58 -7.045 5.939 3.443 1.00 0.00 C ATOM 656 O GLY A 58 -7.691 5.647 2.436 1.00 0.00 O ATOM 0 H GLY A 58 -9.545 5.086 5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.521 7.033 5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.329 5.309 5.470 1.00 0.00 H new ATOM 660 N PRO A 59 -5.721 6.166 3.392 1.00 0.00 N ATOM 661 CA PRO A 59 -4.950 6.081 2.148 1.00 0.00 C ATOM 662 C PRO A 59 -5.270 4.824 1.347 1.00 0.00 C ATOM 663 O PRO A 59 -5.470 4.884 0.134 1.00 0.00 O ATOM 664 CB PRO A 59 -3.504 6.049 2.638 1.00 0.00 C ATOM 665 CG PRO A 59 -3.527 6.796 3.926 1.00 0.00 C ATOM 666 CD PRO A 59 -4.871 6.522 4.547 1.00 0.00 C ATOM 0 HA PRO A 59 -5.171 6.907 1.472 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.156 5.026 2.779 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.832 6.518 1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.721 6.466 4.582 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.386 7.864 3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.820 5.710 5.272 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.255 7.396 5.073 1.00 0.00 H new ATOM 674 N GLY A 60 -5.320 3.685 2.033 1.00 0.00 N ATOM 675 CA GLY A 60 -5.615 2.429 1.367 1.00 0.00 C ATOM 676 C GLY A 60 -6.940 2.462 0.630 1.00 0.00 C ATOM 677 O GLY A 60 -7.048 1.958 -0.490 1.00 0.00 O ATOM 0 H GLY A 60 -5.161 3.610 3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.816 2.198 0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.632 1.626 2.104 1.00 0.00 H new ATOM 681 N ASP A 61 -7.946 3.067 1.253 1.00 0.00 N ATOM 682 CA ASP A 61 -9.263 3.173 0.646 1.00 0.00 C ATOM 683 C ASP A 61 -9.238 4.199 -0.478 1.00 0.00 C ATOM 684 O ASP A 61 -9.945 4.064 -1.476 1.00 0.00 O ATOM 685 CB ASP A 61 -10.305 3.566 1.697 1.00 0.00 C ATOM 686 CG ASP A 61 -11.482 2.610 1.728 1.00 0.00 C ATOM 687 OD1 ASP A 61 -12.291 2.634 0.776 1.00 0.00 O ATOM 688 OD2 ASP A 61 -11.594 1.839 2.703 1.00 0.00 O ATOM 0 H ASP A 61 -7.872 3.491 2.178 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.537 2.202 0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.834 3.591 2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.664 4.574 1.490 1.00 0.00 H new ATOM 693 N LEU A 62 -8.409 5.222 -0.307 1.00 0.00 N ATOM 694 CA LEU A 62 -8.279 6.271 -1.304 1.00 0.00 C ATOM 695 C LEU A 62 -7.567 5.744 -2.544 1.00 0.00 C ATOM 696 O LEU A 62 -7.840 6.179 -3.663 1.00 0.00 O ATOM 697 CB LEU A 62 -7.515 7.465 -0.729 1.00 0.00 C ATOM 698 CG LEU A 62 -8.275 8.272 0.327 1.00 0.00 C ATOM 699 CD1 LEU A 62 -7.304 8.988 1.252 1.00 0.00 C ATOM 700 CD2 LEU A 62 -9.211 9.270 -0.339 1.00 0.00 C ATOM 0 H LEU A 62 -7.817 5.345 0.515 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.279 6.599 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.585 7.104 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.243 8.131 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.873 7.583 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.862 9.556 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.672 8.255 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.680 9.666 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.744 9.835 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.632 9.954 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.929 8.736 -0.961 1.00 0.00 H new ATOM 712 N GLY A 63 -6.654 4.799 -2.337 1.00 0.00 N ATOM 713 CA GLY A 63 -5.918 4.221 -3.445 1.00 0.00 C ATOM 714 C GLY A 63 -6.782 3.306 -4.290 1.00 0.00 C ATOM 715 O GLY A 63 -6.929 3.520 -5.494 1.00 0.00 O ATOM 0 H GLY A 63 -6.411 4.424 -1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.518 5.020 -4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.066 3.661 -3.060 1.00 0.00 H new ATOM 719 N GLY A 64 -7.358 2.288 -3.660 1.00 0.00 N ATOM 720 CA GLY A 64 -8.209 1.357 -4.378 1.00 0.00 C ATOM 721 C GLY A 64 -7.689 -0.066 -4.341 1.00 0.00 C ATOM 722 O GLY A 64 -7.783 -0.794 -5.330 1.00 0.00 O ATOM 0 H GLY A 64 -7.251 2.091 -2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.211 1.384 -3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.297 1.679 -5.415 1.00 0.00 H new ATOM 726 N LEU A 65 -7.141 -0.469 -3.198 1.00 0.00 N ATOM 727 CA LEU A 65 -6.609 -1.819 -3.043 1.00 0.00 C ATOM 728 C LEU A 65 -7.471 -2.635 -2.084 1.00 0.00 C ATOM 729 O LEU A 65 -7.736 -2.210 -0.959 1.00 0.00 O ATOM 730 CB LEU A 65 -5.167 -1.769 -2.535 1.00 0.00 C ATOM 731 CG LEU A 65 -4.950 -0.907 -1.289 1.00 0.00 C ATOM 732 CD1 LEU A 65 -3.970 -1.580 -0.339 1.00 0.00 C ATOM 733 CD2 LEU A 65 -4.450 0.478 -1.679 1.00 0.00 C ATOM 0 H LEU A 65 -7.054 0.118 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.624 -2.303 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.839 -2.785 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.529 -1.393 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.905 -0.796 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.828 -0.953 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.366 -2.549 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.014 -1.721 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.301 1.077 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.505 0.386 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.185 0.963 -2.321 1.00 0.00 H new ATOM 745 N LYS A 66 -7.903 -3.808 -2.535 1.00 0.00 N ATOM 746 CA LYS A 66 -8.733 -4.683 -1.716 1.00 0.00 C ATOM 747 C LYS A 66 -7.878 -5.743 -1.028 1.00 0.00 C ATOM 748 O LYS A 66 -6.745 -5.994 -1.436 1.00 0.00 O ATOM 749 CB LYS A 66 -9.806 -5.356 -2.575 1.00 0.00 C ATOM 750 CG LYS A 66 -11.119 -4.591 -2.617 1.00 0.00 C ATOM 751 CD LYS A 66 -12.310 -5.533 -2.708 1.00 0.00 C ATOM 752 CE LYS A 66 -13.386 -4.985 -3.630 1.00 0.00 C ATOM 753 NZ LYS A 66 -14.479 -4.314 -2.872 1.00 0.00 N ATOM 0 H LYS A 66 -7.692 -4.174 -3.463 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.220 -4.076 -0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.428 -5.469 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.991 -6.359 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.210 -3.973 -1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.121 -3.916 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.979 -6.506 -3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.727 -5.690 -1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.940 -4.276 -4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.803 -5.798 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.193 -3.954 -3.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.922 -4.997 -2.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.086 -3.522 -2.324 1.00 0.00 H new ATOM 767 N PRO A 67 -8.409 -6.383 0.028 1.00 0.00 N ATOM 768 CA PRO A 67 -7.688 -7.419 0.771 1.00 0.00 C ATOM 769 C PRO A 67 -7.143 -8.511 -0.144 1.00 0.00 C ATOM 770 O PRO A 67 -7.674 -8.743 -1.229 1.00 0.00 O ATOM 771 CB PRO A 67 -8.742 -7.994 1.730 1.00 0.00 C ATOM 772 CG PRO A 67 -10.053 -7.462 1.252 1.00 0.00 C ATOM 773 CD PRO A 67 -9.751 -6.155 0.579 1.00 0.00 C ATOM 0 HA PRO A 67 -6.816 -7.013 1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.732 -9.084 1.715 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.546 -7.688 2.757 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.526 -8.157 0.559 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.743 -7.322 2.084 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.476 -5.923 -0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.764 -5.323 1.283 1.00 0.00 H new ATOM 781 N TYR A 68 -6.074 -9.175 0.311 1.00 0.00 N ATOM 782 CA TYR A 68 -5.425 -10.253 -0.444 1.00 0.00 C ATOM 783 C TYR A 68 -4.319 -9.712 -1.347 1.00 0.00 C ATOM 784 O TYR A 68 -3.410 -10.448 -1.729 1.00 0.00 O ATOM 785 CB TYR A 68 -6.436 -11.051 -1.276 1.00 0.00 C ATOM 786 CG TYR A 68 -7.699 -11.397 -0.520 1.00 0.00 C ATOM 787 CD1 TYR A 68 -7.639 -11.946 0.753 1.00 0.00 C ATOM 788 CD2 TYR A 68 -8.950 -11.171 -1.080 1.00 0.00 C ATOM 789 CE1 TYR A 68 -8.790 -12.263 1.449 1.00 0.00 C ATOM 790 CE2 TYR A 68 -10.105 -11.482 -0.391 1.00 0.00 C ATOM 791 CZ TYR A 68 -10.021 -12.029 0.872 1.00 0.00 C ATOM 792 OH TYR A 68 -11.170 -12.342 1.562 1.00 0.00 O ATOM 0 H TYR A 68 -5.635 -8.981 1.211 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.979 -10.925 0.289 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.699 -10.475 -2.163 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.965 -11.971 -1.621 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.676 -12.129 1.208 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.020 -10.745 -2.070 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.726 -12.691 2.438 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.070 -11.298 -0.839 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.952 -12.115 1.016 1.00 0.00 H new ATOM 802 N ASP A 69 -4.396 -8.424 -1.680 1.00 0.00 N ATOM 803 CA ASP A 69 -3.395 -7.787 -2.529 1.00 0.00 C ATOM 804 C ASP A 69 -2.004 -7.976 -1.944 1.00 0.00 C ATOM 805 O ASP A 69 -1.515 -7.144 -1.181 1.00 0.00 O ATOM 806 CB ASP A 69 -3.699 -6.298 -2.704 1.00 0.00 C ATOM 807 CG ASP A 69 -3.986 -5.599 -1.391 1.00 0.00 C ATOM 808 OD1 ASP A 69 -4.536 -6.251 -0.483 1.00 0.00 O ATOM 809 OD2 ASP A 69 -3.663 -4.399 -1.275 1.00 0.00 O ATOM 0 H ASP A 69 -5.144 -7.802 -1.373 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.429 -8.262 -3.510 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.852 -5.814 -3.191 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.556 -6.182 -3.367 1.00 0.00 H new ATOM 814 N ARG A 70 -1.380 -9.084 -2.306 1.00 0.00 N ATOM 815 CA ARG A 70 -0.048 -9.410 -1.824 1.00 0.00 C ATOM 816 C ARG A 70 0.981 -8.423 -2.370 1.00 0.00 C ATOM 817 O ARG A 70 1.147 -8.292 -3.581 1.00 0.00 O ATOM 818 CB ARG A 70 0.298 -10.839 -2.235 1.00 0.00 C ATOM 819 CG ARG A 70 1.715 -11.261 -1.878 1.00 0.00 C ATOM 820 CD ARG A 70 2.410 -11.935 -3.050 1.00 0.00 C ATOM 821 NE ARG A 70 3.141 -13.131 -2.642 1.00 0.00 N ATOM 822 CZ ARG A 70 2.572 -14.318 -2.444 1.00 0.00 C ATOM 823 NH1 ARG A 70 1.264 -14.471 -2.611 1.00 0.00 N ATOM 824 NH2 ARG A 70 3.312 -15.356 -2.080 1.00 0.00 N ATOM 0 H ARG A 70 -1.779 -9.779 -2.938 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.030 -9.336 -0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.404 -11.523 -1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.161 -10.940 -3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.288 -10.387 -1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.689 -11.943 -1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.670 -12.203 -3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.099 -11.231 -3.516 1.00 0.00 H new ATOM 0 HE ARG A 70 4.148 -13.052 -2.500 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.689 -13.677 -2.893 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.834 -15.383 -2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.318 -15.245 -1.952 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.876 -16.265 -1.928 1.00 0.00 H new ATOM 838 N LEU A 71 1.659 -7.725 -1.466 1.00 0.00 N ATOM 839 CA LEU A 71 2.664 -6.742 -1.851 1.00 0.00 C ATOM 840 C LEU A 71 3.889 -7.413 -2.465 1.00 0.00 C ATOM 841 O LEU A 71 4.646 -8.097 -1.775 1.00 0.00 O ATOM 842 CB LEU A 71 3.077 -5.908 -0.637 1.00 0.00 C ATOM 843 CG LEU A 71 1.914 -5.375 0.204 1.00 0.00 C ATOM 844 CD1 LEU A 71 2.260 -5.414 1.685 1.00 0.00 C ATOM 845 CD2 LEU A 71 1.552 -3.962 -0.223 1.00 0.00 C ATOM 0 H LEU A 71 1.530 -7.822 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 71 2.224 -6.088 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.720 -6.515 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.675 -5.064 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 71 1.049 -6.017 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.420 -5.031 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.468 -6.442 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.140 -4.797 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.724 -3.599 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.414 -3.309 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.258 -3.963 -1.273 1.00 0.00 H new ATOM 857 N LEU A 72 4.077 -7.215 -3.766 1.00 0.00 N ATOM 858 CA LEU A 72 5.209 -7.799 -4.473 1.00 0.00 C ATOM 859 C LEU A 72 6.462 -6.950 -4.302 1.00 0.00 C ATOM 860 O LEU A 72 7.488 -7.431 -3.820 1.00 0.00 O ATOM 861 CB LEU A 72 4.887 -7.954 -5.959 1.00 0.00 C ATOM 862 CG LEU A 72 3.868 -9.045 -6.289 1.00 0.00 C ATOM 863 CD1 LEU A 72 2.496 -8.438 -6.519 1.00 0.00 C ATOM 864 CD2 LEU A 72 4.313 -9.844 -7.505 1.00 0.00 C ATOM 0 H LEU A 72 3.459 -6.654 -4.352 1.00 0.00 H new ATOM 0 HA LEU A 72 5.398 -8.782 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.512 -7.002 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.812 -8.167 -6.495 1.00 0.00 H new ATOM 0 HG LEU A 72 3.804 -9.725 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.783 -9.229 -6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.175 -7.914 -5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.544 -7.735 -7.351 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.575 -10.615 -7.724 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.407 -9.178 -8.363 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.276 -10.311 -7.301 1.00 0.00 H new ATOM 876 N GLN A 73 6.378 -5.688 -4.706 1.00 0.00 N ATOM 877 CA GLN A 73 7.512 -4.778 -4.599 1.00 0.00 C ATOM 878 C GLN A 73 7.101 -3.470 -3.930 1.00 0.00 C ATOM 879 O GLN A 73 6.067 -2.888 -4.262 1.00 0.00 O ATOM 880 CB GLN A 73 8.097 -4.494 -5.984 1.00 0.00 C ATOM 881 CG GLN A 73 8.585 -5.740 -6.704 1.00 0.00 C ATOM 882 CD GLN A 73 9.069 -5.448 -8.110 1.00 0.00 C ATOM 883 OE1 GLN A 73 8.667 -6.108 -9.067 1.00 0.00 O ATOM 884 NE2 GLN A 73 9.939 -4.454 -8.241 1.00 0.00 N ATOM 0 H GLN A 73 5.539 -5.272 -5.110 1.00 0.00 H new ATOM 0 HA GLN A 73 8.272 -5.257 -3.982 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.340 -4.004 -6.596 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.927 -3.794 -5.883 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.395 -6.192 -6.131 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.777 -6.471 -6.746 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.245 -3.933 -7.419 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.301 -4.211 -9.163 1.00 0.00 H new ATOM 893 N VAL A 74 7.916 -3.015 -2.984 1.00 0.00 N ATOM 894 CA VAL A 74 7.641 -1.780 -2.265 1.00 0.00 C ATOM 895 C VAL A 74 8.732 -0.745 -2.519 1.00 0.00 C ATOM 896 O VAL A 74 9.856 -0.881 -2.032 1.00 0.00 O ATOM 897 CB VAL A 74 7.524 -2.028 -0.750 1.00 0.00 C ATOM 898 CG1 VAL A 74 7.084 -0.762 -0.032 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.560 -3.171 -0.469 1.00 0.00 C ATOM 0 H VAL A 74 8.774 -3.486 -2.698 1.00 0.00 H new ATOM 0 HA VAL A 74 6.689 -1.400 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 74 8.506 -2.309 -0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.007 -0.958 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.816 0.027 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.113 -0.446 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.490 -3.332 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.575 -2.921 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.923 -4.080 -0.949 1.00 0.00 H new ATOM 909 N ASN A 75 8.393 0.290 -3.284 1.00 0.00 N ATOM 910 CA ASN A 75 9.342 1.350 -3.602 1.00 0.00 C ATOM 911 C ASN A 75 10.504 0.809 -4.428 1.00 0.00 C ATOM 912 O ASN A 75 11.646 1.236 -4.263 1.00 0.00 O ATOM 913 CB ASN A 75 9.869 2.003 -2.322 1.00 0.00 C ATOM 914 CG ASN A 75 8.762 2.628 -1.495 1.00 0.00 C ATOM 915 OD1 ASN A 75 8.369 2.094 -0.457 1.00 0.00 O ATOM 916 ND2 ASN A 75 8.253 3.767 -1.951 1.00 0.00 N ATOM 0 H ASN A 75 7.468 0.416 -3.694 1.00 0.00 H new ATOM 0 HA ASN A 75 8.819 2.103 -4.191 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.389 1.255 -1.723 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.601 2.768 -2.582 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.507 4.234 -1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.609 4.174 -2.816 1.00 0.00 H new ATOM 923 N HIS A 76 10.196 -0.142 -5.316 1.00 0.00 N ATOM 924 CA HIS A 76 11.198 -0.765 -6.187 1.00 0.00 C ATOM 925 C HIS A 76 11.882 -1.947 -5.499 1.00 0.00 C ATOM 926 O HIS A 76 12.527 -2.763 -6.156 1.00 0.00 O ATOM 927 CB HIS A 76 12.248 0.252 -6.649 1.00 0.00 C ATOM 928 CG HIS A 76 11.661 1.555 -7.099 1.00 0.00 C ATOM 929 ND1 HIS A 76 10.961 1.698 -8.280 1.00 0.00 N ATOM 930 CD2 HIS A 76 11.671 2.779 -6.520 1.00 0.00 C ATOM 931 CE1 HIS A 76 10.569 2.953 -8.407 1.00 0.00 C ATOM 932 NE2 HIS A 76 10.986 3.629 -7.353 1.00 0.00 N ATOM 0 H HIS A 76 9.250 -0.500 -5.451 1.00 0.00 H new ATOM 0 HA HIS A 76 10.668 -1.137 -7.064 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.945 0.439 -5.832 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.825 -0.179 -7.467 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.132 3.038 -5.578 1.00 0.00 H new ATOM 0 HE1 HIS A 76 10.003 3.357 -9.233 1.00 0.00 H new ATOM 0 HE2 HIS A 76 10.825 4.622 -7.184 1.00 0.00 H new ATOM 941 N VAL A 77 11.742 -2.038 -4.178 1.00 0.00 N ATOM 942 CA VAL A 77 12.350 -3.127 -3.422 1.00 0.00 C ATOM 943 C VAL A 77 11.469 -4.369 -3.449 1.00 0.00 C ATOM 944 O VAL A 77 10.247 -4.278 -3.331 1.00 0.00 O ATOM 945 CB VAL A 77 12.606 -2.723 -1.957 1.00 0.00 C ATOM 946 CG1 VAL A 77 13.328 -3.834 -1.209 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.397 -1.426 -1.891 1.00 0.00 C ATOM 0 H VAL A 77 11.215 -1.373 -3.612 1.00 0.00 H new ATOM 0 HA VAL A 77 13.304 -3.350 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 77 11.643 -2.561 -1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 77 13.498 -3.527 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 77 12.719 -4.738 -1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.285 -4.034 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 77 13.568 -1.157 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 77 14.355 -1.558 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.836 -0.632 -2.383 1.00 0.00 H new ATOM 957 N ARG A 78 12.096 -5.530 -3.598 1.00 0.00 N ATOM 958 CA ARG A 78 11.364 -6.790 -3.635 1.00 0.00 C ATOM 959 C ARG A 78 10.789 -7.118 -2.261 1.00 0.00 C ATOM 960 O ARG A 78 11.521 -7.210 -1.275 1.00 0.00 O ATOM 961 CB ARG A 78 12.279 -7.923 -4.107 1.00 0.00 C ATOM 962 CG ARG A 78 12.072 -8.300 -5.565 1.00 0.00 C ATOM 963 CD ARG A 78 12.221 -9.799 -5.781 1.00 0.00 C ATOM 964 NE ARG A 78 11.451 -10.267 -6.929 1.00 0.00 N ATOM 965 CZ ARG A 78 11.834 -10.106 -8.194 1.00 0.00 C ATOM 966 NH1 ARG A 78 12.976 -9.490 -8.475 1.00 0.00 N ATOM 967 NH2 ARG A 78 11.074 -10.563 -9.179 1.00 0.00 N ATOM 0 H ARG A 78 13.107 -5.625 -3.695 1.00 0.00 H new ATOM 0 HA ARG A 78 10.539 -6.686 -4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.317 -7.626 -3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.108 -8.801 -3.485 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.080 -7.982 -5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.794 -7.769 -6.185 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.274 -10.041 -5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.894 -10.328 -4.886 1.00 0.00 H new ATOM 0 HE ARG A 78 10.568 -10.745 -6.752 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.565 -9.138 -7.720 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.265 -9.369 -9.446 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.196 -11.038 -8.968 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.367 -10.440 -10.148 1.00 0.00 H new ATOM 981 N THR A 79 9.473 -7.294 -2.203 1.00 0.00 N ATOM 982 CA THR A 79 8.801 -7.611 -0.950 1.00 0.00 C ATOM 983 C THR A 79 7.653 -8.590 -1.179 1.00 0.00 C ATOM 984 O THR A 79 6.677 -8.603 -0.429 1.00 0.00 O ATOM 985 CB THR A 79 8.275 -6.337 -0.290 1.00 0.00 C ATOM 986 OG1 THR A 79 7.174 -5.812 -1.013 1.00 0.00 O ATOM 987 CG2 THR A 79 9.317 -5.243 -0.184 1.00 0.00 C ATOM 0 H THR A 79 8.852 -7.222 -3.009 1.00 0.00 H new ATOM 0 HA THR A 79 9.528 -8.080 -0.288 1.00 0.00 H new ATOM 0 HB THR A 79 7.980 -6.636 0.716 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.371 -5.842 -0.453 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.878 -4.367 0.294 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.158 -5.598 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.666 -4.975 -1.181 1.00 0.00 H new ATOM 995 N ARG A 80 7.779 -9.413 -2.215 1.00 0.00 N ATOM 996 CA ARG A 80 6.754 -10.398 -2.535 1.00 0.00 C ATOM 997 C ARG A 80 6.768 -11.531 -1.515 1.00 0.00 C ATOM 998 O ARG A 80 5.743 -11.858 -0.919 1.00 0.00 O ATOM 999 CB ARG A 80 6.976 -10.958 -3.942 1.00 0.00 C ATOM 1000 CG ARG A 80 5.694 -11.105 -4.743 1.00 0.00 C ATOM 1001 CD ARG A 80 5.425 -12.556 -5.112 1.00 0.00 C ATOM 1002 NE ARG A 80 4.165 -12.713 -5.835 1.00 0.00 N ATOM 1003 CZ ARG A 80 3.811 -13.826 -6.472 1.00 0.00 C ATOM 1004 NH1 ARG A 80 4.614 -14.882 -6.476 1.00 0.00 N ATOM 1005 NH2 ARG A 80 2.647 -13.885 -7.104 1.00 0.00 N ATOM 0 H ARG A 80 8.580 -9.417 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 80 5.781 -9.907 -2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.660 -10.303 -4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.461 -11.931 -3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.857 -10.715 -4.164 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.761 -10.505 -5.651 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.244 -12.932 -5.725 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.401 -13.162 -4.206 1.00 0.00 H new ATOM 0 HE ARG A 80 3.519 -11.923 -5.852 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.509 -14.844 -5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.336 -15.732 -6.966 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.024 -13.077 -7.102 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.375 -14.738 -7.593 1.00 0.00 H new ATOM 1019 N ASP A 81 7.943 -12.121 -1.317 1.00 0.00 N ATOM 1020 CA ASP A 81 8.102 -13.215 -0.365 1.00 0.00 C ATOM 1021 C ASP A 81 8.577 -12.698 0.991 1.00 0.00 C ATOM 1022 O ASP A 81 9.209 -13.427 1.755 1.00 0.00 O ATOM 1023 CB ASP A 81 9.095 -14.245 -0.906 1.00 0.00 C ATOM 1024 CG ASP A 81 8.468 -15.165 -1.935 1.00 0.00 C ATOM 1025 OD1 ASP A 81 7.278 -15.508 -1.780 1.00 0.00 O ATOM 1026 OD2 ASP A 81 9.170 -15.544 -2.898 1.00 0.00 O ATOM 0 H ASP A 81 8.800 -11.859 -1.804 1.00 0.00 H new ATOM 0 HA ASP A 81 7.130 -13.689 -0.230 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.944 -13.728 -1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.484 -14.840 -0.080 1.00 0.00 H new ATOM 1031 N PHE A 82 8.269 -11.437 1.286 1.00 0.00 N ATOM 1032 CA PHE A 82 8.667 -10.830 2.550 1.00 0.00 C ATOM 1033 C PHE A 82 7.710 -11.230 3.667 1.00 0.00 C ATOM 1034 O PHE A 82 6.666 -11.832 3.417 1.00 0.00 O ATOM 1035 CB PHE A 82 8.697 -9.305 2.419 1.00 0.00 C ATOM 1036 CG PHE A 82 10.042 -8.750 2.036 1.00 0.00 C ATOM 1037 CD1 PHE A 82 10.889 -9.458 1.197 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.455 -7.516 2.511 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.122 -8.944 0.840 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.686 -6.998 2.160 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.521 -7.712 1.322 1.00 0.00 C ATOM 0 H PHE A 82 7.746 -10.818 0.667 1.00 0.00 H new ATOM 0 HA PHE A 82 9.665 -11.189 2.799 1.00 0.00 H new ATOM 0 HB2 PHE A 82 7.964 -9.000 1.672 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.390 -8.863 3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.582 -10.422 0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.806 -6.952 3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.772 -9.505 0.185 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.996 -6.036 2.540 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.483 -7.308 1.044 1.00 0.00 H new ATOM 1051 N ASP A 83 8.070 -10.883 4.896 1.00 0.00 N ATOM 1052 CA ASP A 83 7.241 -11.199 6.051 1.00 0.00 C ATOM 1053 C ASP A 83 6.582 -9.938 6.595 1.00 0.00 C ATOM 1054 O ASP A 83 7.039 -8.826 6.328 1.00 0.00 O ATOM 1055 CB ASP A 83 8.081 -11.862 7.143 1.00 0.00 C ATOM 1056 CG ASP A 83 8.290 -13.343 6.894 1.00 0.00 C ATOM 1057 OD1 ASP A 83 8.586 -13.714 5.739 1.00 0.00 O ATOM 1058 OD2 ASP A 83 8.158 -14.131 7.854 1.00 0.00 O ATOM 0 H ASP A 83 8.931 -10.383 5.118 1.00 0.00 H new ATOM 0 HA ASP A 83 6.462 -11.893 5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.050 -11.366 7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.592 -11.724 8.107 1.00 0.00 H new ATOM 1063 N CYS A 84 5.508 -10.112 7.357 1.00 0.00 N ATOM 1064 CA CYS A 84 4.791 -8.982 7.933 1.00 0.00 C ATOM 1065 C CYS A 84 5.754 -8.056 8.669 1.00 0.00 C ATOM 1066 O CYS A 84 5.660 -6.834 8.563 1.00 0.00 O ATOM 1067 CB CYS A 84 3.702 -9.473 8.890 1.00 0.00 C ATOM 1068 SG CYS A 84 4.312 -10.537 10.218 1.00 0.00 S ATOM 0 H CYS A 84 5.115 -11.024 7.590 1.00 0.00 H new ATOM 0 HA CYS A 84 4.322 -8.425 7.122 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.204 -8.609 9.331 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.950 -10.018 8.319 1.00 0.00 H new ATOM 0 HG CYS A 84 3.319 -10.899 10.975 1.00 0.00 H new ATOM 1074 N CYS A 85 6.683 -8.649 9.411 1.00 0.00 N ATOM 1075 CA CYS A 85 7.664 -7.881 10.158 1.00 0.00 C ATOM 1076 C CYS A 85 8.557 -7.068 9.223 1.00 0.00 C ATOM 1077 O CYS A 85 9.164 -6.080 9.635 1.00 0.00 O ATOM 1078 CB CYS A 85 8.518 -8.810 11.021 1.00 0.00 C ATOM 1079 SG CYS A 85 8.929 -8.133 12.648 1.00 0.00 S ATOM 0 H CYS A 85 6.775 -9.660 9.509 1.00 0.00 H new ATOM 0 HA CYS A 85 7.126 -7.187 10.804 1.00 0.00 H new ATOM 0 HB2 CYS A 85 7.989 -9.753 11.155 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.442 -9.036 10.489 1.00 0.00 H new ATOM 0 HG CYS A 85 9.651 -8.991 13.305 1.00 0.00 H new ATOM 1085 N LEU A 86 8.636 -7.489 7.963 1.00 0.00 N ATOM 1086 CA LEU A 86 9.458 -6.797 6.975 1.00 0.00 C ATOM 1087 C LEU A 86 8.621 -5.805 6.172 1.00 0.00 C ATOM 1088 O LEU A 86 9.117 -4.762 5.738 1.00 0.00 O ATOM 1089 CB LEU A 86 10.115 -7.807 6.030 1.00 0.00 C ATOM 1090 CG LEU A 86 11.467 -8.345 6.501 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.281 -9.318 7.655 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.203 -9.015 5.350 1.00 0.00 C ATOM 0 H LEU A 86 8.141 -8.305 7.603 1.00 0.00 H new ATOM 0 HA LEU A 86 10.235 -6.247 7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.435 -8.647 5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.247 -7.338 5.055 1.00 0.00 H new ATOM 0 HG LEU A 86 12.068 -7.507 6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.253 -9.691 7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.794 -8.808 8.486 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.662 -10.154 7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.163 -9.392 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.605 -9.843 4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.368 -8.290 4.553 1.00 0.00 H new ATOM 1104 N VAL A 87 7.349 -6.133 5.984 1.00 0.00 N ATOM 1105 CA VAL A 87 6.445 -5.276 5.236 1.00 0.00 C ATOM 1106 C VAL A 87 5.950 -4.113 6.093 1.00 0.00 C ATOM 1107 O VAL A 87 5.764 -3.003 5.594 1.00 0.00 O ATOM 1108 CB VAL A 87 5.238 -6.069 4.698 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.335 -5.177 3.858 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.713 -7.266 3.890 1.00 0.00 C ATOM 0 H VAL A 87 6.922 -6.988 6.341 1.00 0.00 H new ATOM 0 HA VAL A 87 7.008 -4.878 4.392 1.00 0.00 H new ATOM 0 HB VAL A 87 4.657 -6.431 5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.490 -5.759 3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.969 -4.352 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.899 -4.781 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.851 -7.818 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.316 -6.922 3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.313 -7.918 4.524 1.00 0.00 H new ATOM 1120 N VAL A 88 5.740 -4.365 7.382 1.00 0.00 N ATOM 1121 CA VAL A 88 5.267 -3.322 8.284 1.00 0.00 C ATOM 1122 C VAL A 88 6.231 -2.135 8.296 1.00 0.00 C ATOM 1123 O VAL A 88 5.815 -0.990 8.113 1.00 0.00 O ATOM 1124 CB VAL A 88 5.062 -3.845 9.724 1.00 0.00 C ATOM 1125 CG1 VAL A 88 4.595 -2.725 10.647 1.00 0.00 C ATOM 1126 CG2 VAL A 88 4.069 -4.998 9.735 1.00 0.00 C ATOM 0 H VAL A 88 5.888 -5.274 7.821 1.00 0.00 H new ATOM 0 HA VAL A 88 4.298 -2.995 7.906 1.00 0.00 H new ATOM 0 HB VAL A 88 6.020 -4.211 10.094 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.458 -3.117 11.655 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.343 -1.933 10.665 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.650 -2.323 10.282 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.936 -5.354 10.757 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.111 -4.657 9.342 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.447 -5.810 9.114 1.00 0.00 H new ATOM 1136 N PRO A 89 7.540 -2.386 8.497 1.00 0.00 N ATOM 1137 CA PRO A 89 8.550 -1.327 8.511 1.00 0.00 C ATOM 1138 C PRO A 89 8.759 -0.732 7.124 1.00 0.00 C ATOM 1139 O PRO A 89 8.828 0.487 6.965 1.00 0.00 O ATOM 1140 CB PRO A 89 9.830 -2.036 8.988 1.00 0.00 C ATOM 1141 CG PRO A 89 9.384 -3.371 9.483 1.00 0.00 C ATOM 1142 CD PRO A 89 8.145 -3.705 8.709 1.00 0.00 C ATOM 0 HA PRO A 89 8.258 -0.494 9.151 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.548 -2.139 8.175 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.322 -1.469 9.778 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.157 -4.123 9.326 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.180 -3.342 10.553 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.376 -4.202 7.767 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.485 -4.370 9.266 1.00 0.00 H new ATOM 1150 N LEU A 90 8.849 -1.601 6.116 1.00 0.00 N ATOM 1151 CA LEU A 90 9.040 -1.154 4.742 1.00 0.00 C ATOM 1152 C LEU A 90 7.953 -0.162 4.342 1.00 0.00 C ATOM 1153 O LEU A 90 8.194 0.762 3.566 1.00 0.00 O ATOM 1154 CB LEU A 90 9.033 -2.349 3.787 1.00 0.00 C ATOM 1155 CG LEU A 90 10.361 -3.100 3.684 1.00 0.00 C ATOM 1156 CD1 LEU A 90 10.136 -4.510 3.156 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.333 -2.340 2.792 1.00 0.00 C ATOM 0 H LEU A 90 8.793 -2.613 6.228 1.00 0.00 H new ATOM 0 HA LEU A 90 10.007 -0.655 4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.261 -3.048 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.752 -2.000 2.793 1.00 0.00 H new ATOM 0 HG LEU A 90 10.796 -3.174 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.092 -5.030 3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.475 -5.051 3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.680 -4.460 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.273 -2.888 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.906 -2.236 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.516 -1.351 3.213 1.00 0.00 H new ATOM 1169 N ILE A 91 6.756 -0.362 4.884 1.00 0.00 N ATOM 1170 CA ILE A 91 5.627 0.513 4.596 1.00 0.00 C ATOM 1171 C ILE A 91 5.770 1.839 5.341 1.00 0.00 C ATOM 1172 O ILE A 91 5.569 2.909 4.769 1.00 0.00 O ATOM 1173 CB ILE A 91 4.287 -0.161 4.977 1.00 0.00 C ATOM 1174 CG1 ILE A 91 3.993 -1.327 4.028 1.00 0.00 C ATOM 1175 CG2 ILE A 91 3.139 0.843 4.959 1.00 0.00 C ATOM 1176 CD1 ILE A 91 2.902 -2.250 4.526 1.00 0.00 C ATOM 0 H ILE A 91 6.543 -1.125 5.527 1.00 0.00 H new ATOM 0 HA ILE A 91 5.624 0.706 3.523 1.00 0.00 H new ATOM 0 HB ILE A 91 4.378 -0.546 5.993 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.705 -0.929 3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.906 -1.903 3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.211 0.340 5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.342 1.641 5.674 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.042 1.267 3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.747 -3.052 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.196 -2.676 5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.977 -1.687 4.647 1.00 0.00 H new ATOM 1188 N ALA A 92 6.117 1.755 6.621 1.00 0.00 N ATOM 1189 CA ALA A 92 6.286 2.939 7.446 1.00 0.00 C ATOM 1190 C ALA A 92 7.596 3.666 7.140 1.00 0.00 C ATOM 1191 O ALA A 92 7.871 4.726 7.702 1.00 0.00 O ATOM 1192 CB ALA A 92 6.224 2.564 8.919 1.00 0.00 C ATOM 0 H ALA A 92 6.286 0.875 7.108 1.00 0.00 H new ATOM 0 HA ALA A 92 5.470 3.623 7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.352 3.459 9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.257 2.111 9.139 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.018 1.853 9.147 1.00 0.00 H new ATOM 1198 N GLU A 93 8.407 3.093 6.252 1.00 0.00 N ATOM 1199 CA GLU A 93 9.685 3.696 5.887 1.00 0.00 C ATOM 1200 C GLU A 93 9.603 4.425 4.547 1.00 0.00 C ATOM 1201 O GLU A 93 10.509 5.175 4.184 1.00 0.00 O ATOM 1202 CB GLU A 93 10.778 2.625 5.828 1.00 0.00 C ATOM 1203 CG GLU A 93 11.457 2.375 7.165 1.00 0.00 C ATOM 1204 CD GLU A 93 12.513 1.290 7.088 1.00 0.00 C ATOM 1205 OE1 GLU A 93 12.157 0.104 7.249 1.00 0.00 O ATOM 1206 OE2 GLU A 93 13.694 1.627 6.866 1.00 0.00 O ATOM 0 H GLU A 93 8.202 2.215 5.774 1.00 0.00 H new ATOM 0 HA GLU A 93 9.934 4.429 6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.342 1.692 5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.530 2.925 5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.916 3.300 7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.706 2.094 7.903 1.00 0.00 H new ATOM 1213 N SER A 94 8.518 4.201 3.819 1.00 0.00 N ATOM 1214 CA SER A 94 8.324 4.840 2.521 1.00 0.00 C ATOM 1215 C SER A 94 8.193 6.354 2.657 1.00 0.00 C ATOM 1216 O SER A 94 8.309 7.088 1.675 1.00 0.00 O ATOM 1217 CB SER A 94 7.090 4.266 1.825 1.00 0.00 C ATOM 1218 OG SER A 94 7.142 2.850 1.781 1.00 0.00 O ATOM 0 H SER A 94 7.758 3.583 4.103 1.00 0.00 H new ATOM 0 HA SER A 94 9.206 4.632 1.914 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.190 4.584 2.352 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.023 4.662 0.812 1.00 0.00 H new ATOM 0 HG SER A 94 7.661 2.566 1.000 1.00 0.00 H new ATOM 1224 N GLY A 95 7.949 6.817 3.877 1.00 0.00 N ATOM 1225 CA GLY A 95 7.806 8.240 4.118 1.00 0.00 C ATOM 1226 C GLY A 95 6.373 8.713 3.976 1.00 0.00 C ATOM 1227 O GLY A 95 5.439 7.998 4.341 1.00 0.00 O ATOM 0 H GLY A 95 7.847 6.231 4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.164 8.473 5.121 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.437 8.789 3.419 1.00 0.00 H new ATOM 1231 N ASN A 96 6.199 9.919 3.446 1.00 0.00 N ATOM 1232 CA ASN A 96 4.868 10.487 3.257 1.00 0.00 C ATOM 1233 C ASN A 96 4.136 9.818 2.093 1.00 0.00 C ATOM 1234 O ASN A 96 2.951 10.070 1.871 1.00 0.00 O ATOM 1235 CB ASN A 96 4.965 11.994 3.012 1.00 0.00 C ATOM 1236 CG ASN A 96 4.855 12.796 4.293 1.00 0.00 C ATOM 1237 OD1 ASN A 96 3.825 13.413 4.565 1.00 0.00 O ATOM 1238 ND2 ASN A 96 5.919 12.793 5.087 1.00 0.00 N ATOM 0 H ASN A 96 6.962 10.522 3.140 1.00 0.00 H new ATOM 0 HA ASN A 96 4.297 10.305 4.167 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.914 12.220 2.526 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.175 12.299 2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.904 13.316 5.962 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.752 12.267 4.822 1.00 0.00 H new ATOM 1245 N LYS A 97 4.842 8.967 1.352 1.00 0.00 N ATOM 1246 CA LYS A 97 4.252 8.269 0.217 1.00 0.00 C ATOM 1247 C LYS A 97 4.691 6.810 0.198 1.00 0.00 C ATOM 1248 O LYS A 97 5.772 6.474 0.683 1.00 0.00 O ATOM 1249 CB LYS A 97 4.654 8.949 -1.094 1.00 0.00 C ATOM 1250 CG LYS A 97 3.848 10.199 -1.405 1.00 0.00 C ATOM 1251 CD LYS A 97 4.690 11.239 -2.128 1.00 0.00 C ATOM 1252 CE LYS A 97 4.859 10.892 -3.598 1.00 0.00 C ATOM 1253 NZ LYS A 97 5.674 11.910 -4.319 1.00 0.00 N ATOM 0 H LYS A 97 5.824 8.745 1.519 1.00 0.00 H new ATOM 0 HA LYS A 97 3.168 8.308 0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.711 9.211 -1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.537 8.239 -1.912 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.987 9.935 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.460 10.623 -0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.220 12.218 -2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.669 11.310 -1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.335 9.916 -3.688 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.878 10.813 -4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.766 11.637 -5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.207 12.837 -4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.619 11.968 -3.888 1.00 0.00 H new ATOM 1267 N LEU A 98 3.852 5.944 -0.359 1.00 0.00 N ATOM 1268 CA LEU A 98 4.169 4.522 -0.431 1.00 0.00 C ATOM 1269 C LEU A 98 3.796 3.938 -1.787 1.00 0.00 C ATOM 1270 O LEU A 98 2.645 3.567 -2.018 1.00 0.00 O ATOM 1271 CB LEU A 98 3.442 3.755 0.676 1.00 0.00 C ATOM 1272 CG LEU A 98 4.246 2.625 1.329 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.317 1.667 2.053 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.072 1.878 0.290 1.00 0.00 C ATOM 0 H LEU A 98 2.952 6.199 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 98 5.246 4.418 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.146 4.462 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.526 3.334 0.262 1.00 0.00 H new ATOM 0 HG LEU A 98 4.929 3.067 2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.902 0.870 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.769 2.206 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.612 1.236 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.634 1.081 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.409 1.448 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.765 2.569 -0.190 1.00 0.00 H new ATOM 1286 N ASP A 99 4.780 3.834 -2.673 1.00 0.00 N ATOM 1287 CA ASP A 99 4.554 3.268 -3.996 1.00 0.00 C ATOM 1288 C ASP A 99 4.902 1.786 -3.988 1.00 0.00 C ATOM 1289 O ASP A 99 6.044 1.412 -3.722 1.00 0.00 O ATOM 1290 CB ASP A 99 5.395 3.999 -5.045 1.00 0.00 C ATOM 1291 CG ASP A 99 5.005 5.456 -5.185 1.00 0.00 C ATOM 1292 OD1 ASP A 99 4.964 6.162 -4.155 1.00 0.00 O ATOM 1293 OD2 ASP A 99 4.742 5.894 -6.324 1.00 0.00 O ATOM 0 H ASP A 99 5.739 4.134 -2.499 1.00 0.00 H new ATOM 0 HA ASP A 99 3.502 3.389 -4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.448 3.932 -4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.282 3.501 -6.008 1.00 0.00 H new ATOM 1298 N LEU A 100 3.914 0.943 -4.260 1.00 0.00 N ATOM 1299 CA LEU A 100 4.137 -0.500 -4.256 1.00 0.00 C ATOM 1300 C LEU A 100 3.305 -1.211 -5.316 1.00 0.00 C ATOM 1301 O LEU A 100 2.271 -0.711 -5.753 1.00 0.00 O ATOM 1302 CB LEU A 100 3.805 -1.074 -2.878 1.00 0.00 C ATOM 1303 CG LEU A 100 2.528 -0.525 -2.238 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.323 -1.356 -2.655 1.00 0.00 C ATOM 1305 CD2 LEU A 100 2.661 -0.499 -0.722 1.00 0.00 C ATOM 0 H LEU A 100 2.960 1.227 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 100 5.189 -0.668 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.713 -2.157 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.642 -0.878 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 100 2.378 0.496 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.424 -0.951 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.217 -1.325 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.464 -2.388 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.744 -0.106 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.835 -1.510 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.500 0.138 -0.441 1.00 0.00 H new ATOM 1317 N VAL A 101 3.761 -2.399 -5.704 1.00 0.00 N ATOM 1318 CA VAL A 101 3.064 -3.210 -6.693 1.00 0.00 C ATOM 1319 C VAL A 101 2.466 -4.444 -6.025 1.00 0.00 C ATOM 1320 O VAL A 101 3.191 -5.345 -5.607 1.00 0.00 O ATOM 1321 CB VAL A 101 4.007 -3.658 -7.827 1.00 0.00 C ATOM 1322 CG1 VAL A 101 3.217 -4.291 -8.963 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.833 -2.485 -8.331 1.00 0.00 C ATOM 0 H VAL A 101 4.617 -2.822 -5.344 1.00 0.00 H new ATOM 0 HA VAL A 101 2.274 -2.596 -7.124 1.00 0.00 H new ATOM 0 HB VAL A 101 4.690 -4.409 -7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.901 -4.600 -9.753 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.676 -5.161 -8.590 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.507 -3.566 -9.361 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.492 -2.821 -9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.169 -1.709 -8.711 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.431 -2.083 -7.513 1.00 0.00 H new ATOM 1333 N ILE A 102 1.144 -4.469 -5.911 1.00 0.00 N ATOM 1334 CA ILE A 102 0.459 -5.585 -5.272 1.00 0.00 C ATOM 1335 C ILE A 102 -0.239 -6.476 -6.294 1.00 0.00 C ATOM 1336 O ILE A 102 -0.362 -6.122 -7.467 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.584 -5.084 -4.255 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.671 -4.280 -4.971 1.00 0.00 C ATOM 1339 CG2 ILE A 102 0.079 -4.242 -3.171 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.795 -5.136 -5.510 1.00 0.00 C ATOM 0 H ILE A 102 0.527 -3.732 -6.251 1.00 0.00 H new ATOM 0 HA ILE A 102 1.223 -6.167 -4.757 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.045 -5.948 -3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.083 -3.545 -4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.220 -3.726 -5.794 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.676 -3.899 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.821 -4.844 -2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.567 -3.381 -3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.530 -4.502 -6.005 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.395 -5.854 -6.226 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.272 -5.670 -4.688 1.00 0.00 H new ATOM 1352 N SER A 103 -0.699 -7.634 -5.832 1.00 0.00 N ATOM 1353 CA SER A 103 -1.396 -8.586 -6.688 1.00 0.00 C ATOM 1354 C SER A 103 -2.683 -9.061 -6.021 1.00 0.00 C ATOM 1355 O SER A 103 -2.645 -9.717 -4.981 1.00 0.00 O ATOM 1356 CB SER A 103 -0.493 -9.784 -6.990 1.00 0.00 C ATOM 1357 OG SER A 103 -0.125 -9.815 -8.360 1.00 0.00 O ATOM 0 H SER A 103 -0.600 -7.937 -4.863 1.00 0.00 H new ATOM 0 HA SER A 103 -1.650 -8.087 -7.623 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.403 -9.733 -6.371 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.009 -10.708 -6.728 1.00 0.00 H new ATOM 0 HG SER A 103 0.453 -10.589 -8.526 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.823 -8.718 -6.617 1.00 0.00 N ATOM 1364 CA ARG A 104 -5.115 -9.111 -6.060 1.00 0.00 C ATOM 1365 C ARG A 104 -6.102 -9.509 -7.154 1.00 0.00 C ATOM 1366 O ARG A 104 -6.274 -8.795 -8.140 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.703 -7.969 -5.231 1.00 0.00 C ATOM 1368 CG ARG A 104 -5.733 -6.638 -5.965 1.00 0.00 C ATOM 1369 CD ARG A 104 -7.111 -6.342 -6.536 1.00 0.00 C ATOM 1370 NE ARG A 104 -7.569 -4.999 -6.191 1.00 0.00 N ATOM 1371 CZ ARG A 104 -8.679 -4.446 -6.676 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -9.447 -5.116 -7.527 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -9.024 -3.220 -6.308 1.00 0.00 N ATOM 0 H ARG A 104 -3.879 -8.174 -7.478 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.946 -9.978 -5.422 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.718 -8.233 -4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -5.120 -7.857 -4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.443 -5.839 -5.282 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.000 -6.650 -6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.085 -6.449 -7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.824 -7.076 -6.161 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.005 -4.452 -5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.188 -6.060 -7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.296 -4.686 -7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.439 -2.700 -5.653 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.874 -2.796 -6.679 1.00 0.00 H new ATOM 1387 N ASN A 105 -6.755 -10.652 -6.961 1.00 0.00 N ATOM 1388 CA ASN A 105 -7.737 -11.145 -7.917 1.00 0.00 C ATOM 1389 C ASN A 105 -8.946 -10.210 -7.977 1.00 0.00 C ATOM 1390 O ASN A 105 -9.621 -9.998 -6.971 1.00 0.00 O ATOM 1391 CB ASN A 105 -8.189 -12.553 -7.524 1.00 0.00 C ATOM 1392 CG ASN A 105 -7.472 -13.631 -8.310 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -6.935 -14.580 -7.739 1.00 0.00 O ATOM 1394 ND2 ASN A 105 -7.456 -13.487 -9.629 1.00 0.00 N ATOM 0 H ASN A 105 -6.620 -11.254 -6.149 1.00 0.00 H new ATOM 0 HA ASN A 105 -7.273 -11.178 -8.903 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.011 -12.705 -6.459 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.263 -12.644 -7.684 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -6.985 -14.179 -10.212 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -7.914 -12.684 -10.060 1.00 0.00 H new ATOM 1401 N PRO A 106 -9.238 -9.632 -9.158 1.00 0.00 N ATOM 1402 CA PRO A 106 -10.373 -8.719 -9.325 1.00 0.00 C ATOM 1403 C PRO A 106 -11.714 -9.441 -9.254 1.00 0.00 C ATOM 1404 O PRO A 106 -12.276 -9.536 -8.142 1.00 0.00 O ATOM 1405 CB PRO A 106 -10.153 -8.130 -10.720 1.00 0.00 C ATOM 1406 CG PRO A 106 -9.367 -9.166 -11.447 1.00 0.00 C ATOM 1407 CD PRO A 106 -8.491 -9.821 -10.417 1.00 0.00 C ATOM 1408 OXT PRO A 106 -12.191 -9.906 -10.310 1.00 0.00 O ATOM 0 HA PRO A 106 -10.413 -7.970 -8.534 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.101 -7.929 -11.219 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -9.612 -7.185 -10.670 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.025 -9.895 -11.919 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.768 -8.717 -12.239 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.335 -10.877 -10.636 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.506 -9.356 -10.373 1.00 0.00 H new TER 1416 PRO A 106