USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 744 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 Single : A 4 LYS NZ :NH3+ 168:sc=-0.00923 (180deg=-0.164) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 143:sc= 1.25 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc=-0.00498 (180deg=-0.0899) USER MOD Single : A 17 SER OG : rot -72:sc= 0.705 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -129:sc= 1.28 (180deg=0.659) USER MOD Single : A 29 SER OG : rot 180:sc= 0.00318 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0.366 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.2) USER MOD Single : A 40 THR OG1 : rot 73:sc= 0.506 USER MOD Single : A 41 CYS SG : rot 179:sc= -0.493 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.04) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -172:sc= 0.0206 USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= 1.3 (180deg=1.15) USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.12) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00319) USER MOD Single : A 74 CYS SG : rot -0:sc= -2.71! USER MOD Single : A 77 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.631) USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= 2.08 (180deg=1.66) USER MOD Single : A 85 HIS : no HD1:sc= -0.567 K(o=-0.57,f=-1.3) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 33 N VAL A 3 -5.144 9.066 -3.416 1.00 0.00 N ATOM 34 CA VAL A 3 -4.041 8.129 -3.269 1.00 0.00 C ATOM 35 C VAL A 3 -3.048 8.455 -4.385 1.00 0.00 C ATOM 36 O VAL A 3 -3.439 9.013 -5.415 1.00 0.00 O ATOM 37 CB VAL A 3 -4.605 6.694 -3.391 1.00 0.00 C ATOM 38 CG1 VAL A 3 -3.523 5.601 -3.382 1.00 0.00 C ATOM 39 CG2 VAL A 3 -5.593 6.420 -2.250 1.00 0.00 C ATOM 0 HA VAL A 3 -3.539 8.204 -2.304 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.101 6.649 -4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.994 4.622 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.844 5.755 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.963 5.651 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.985 5.407 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.082 6.524 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.415 7.134 -2.301 1.00 0.00 H new ATOM 49 N LYS A 4 -1.786 8.062 -4.208 1.00 0.00 N ATOM 50 CA LYS A 4 -0.765 8.129 -5.241 1.00 0.00 C ATOM 51 C LYS A 4 -0.161 6.748 -5.390 1.00 0.00 C ATOM 52 O LYS A 4 0.072 6.089 -4.374 1.00 0.00 O ATOM 53 CB LYS A 4 0.305 9.139 -4.818 1.00 0.00 C ATOM 54 CG LYS A 4 0.821 9.910 -6.031 1.00 0.00 C ATOM 55 CD LYS A 4 1.767 11.008 -5.544 1.00 0.00 C ATOM 56 CE LYS A 4 2.237 11.904 -6.686 1.00 0.00 C ATOM 57 NZ LYS A 4 1.126 12.674 -7.269 1.00 0.00 N ATOM 0 H LYS A 4 -1.444 7.682 -3.325 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.189 8.449 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.110 9.834 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.131 8.620 -4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.341 9.238 -6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.011 10.345 -6.585 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.262 11.614 -4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.632 10.554 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.001 12.589 -6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.701 11.293 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.506 13.412 -7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.513 12.038 -7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.573 13.117 -6.507 1.00 0.00 H new ATOM 71 N ILE A 5 0.115 6.334 -6.621 1.00 0.00 N ATOM 72 CA ILE A 5 0.776 5.083 -6.940 1.00 0.00 C ATOM 73 C ILE A 5 1.783 5.406 -8.044 1.00 0.00 C ATOM 74 O ILE A 5 1.516 6.254 -8.897 1.00 0.00 O ATOM 75 CB ILE A 5 -0.261 4.015 -7.385 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.448 3.922 -6.396 1.00 0.00 C ATOM 77 CG2 ILE A 5 0.432 2.652 -7.548 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.437 2.787 -6.662 1.00 0.00 C ATOM 0 H ILE A 5 -0.125 6.880 -7.448 1.00 0.00 H new ATOM 0 HA ILE A 5 1.286 4.659 -6.075 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.673 4.319 -8.347 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.050 3.806 -5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.991 4.867 -6.417 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.300 1.907 -7.860 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.215 2.730 -8.302 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.873 2.352 -6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.229 2.811 -5.913 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.872 2.908 -7.654 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.916 1.831 -6.609 1.00 0.00 H new ATOM 90 N GLU A 6 2.919 4.714 -8.052 1.00 0.00 N ATOM 91 CA GLU A 6 3.785 4.590 -9.212 1.00 0.00 C ATOM 92 C GLU A 6 4.602 3.301 -9.115 1.00 0.00 C ATOM 93 O GLU A 6 4.420 2.521 -8.181 1.00 0.00 O ATOM 94 CB GLU A 6 4.672 5.823 -9.386 1.00 0.00 C ATOM 95 CG GLU A 6 5.618 6.125 -8.225 1.00 0.00 C ATOM 96 CD GLU A 6 6.610 7.249 -8.548 1.00 0.00 C ATOM 97 OE1 GLU A 6 6.582 7.809 -9.672 1.00 0.00 O ATOM 98 OE2 GLU A 6 7.414 7.616 -7.657 1.00 0.00 O ATOM 0 H GLU A 6 3.267 4.215 -7.233 1.00 0.00 H new ATOM 0 HA GLU A 6 3.165 4.532 -10.107 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.266 5.696 -10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.031 6.690 -9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.033 6.403 -7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.170 5.221 -7.967 1.00 0.00 H new ATOM 105 N LYS A 7 5.528 3.078 -10.054 1.00 0.00 N ATOM 106 CA LYS A 7 6.522 2.013 -9.975 1.00 0.00 C ATOM 107 C LYS A 7 7.898 2.697 -9.972 1.00 0.00 C ATOM 108 O LYS A 7 8.497 2.846 -11.038 1.00 0.00 O ATOM 109 CB LYS A 7 6.368 0.992 -11.119 1.00 0.00 C ATOM 110 CG LYS A 7 5.003 0.301 -11.271 1.00 0.00 C ATOM 111 CD LYS A 7 3.929 1.201 -11.903 1.00 0.00 C ATOM 112 CE LYS A 7 3.185 0.491 -13.038 1.00 0.00 C ATOM 113 NZ LYS A 7 2.188 1.391 -13.653 1.00 0.00 N ATOM 0 H LYS A 7 5.605 3.642 -10.900 1.00 0.00 H new ATOM 0 HA LYS A 7 6.391 1.426 -9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.595 1.500 -12.056 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.124 0.218 -10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.123 -0.593 -11.883 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.660 -0.028 -10.290 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.216 1.508 -11.138 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.395 2.109 -12.286 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.897 0.158 -13.794 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.689 -0.400 -12.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.695 0.891 -14.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.498 1.688 -12.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.668 2.229 -14.039 1.00 0.00 H new ATOM 127 N PRO A 8 8.370 3.214 -8.826 1.00 0.00 N ATOM 128 CA PRO A 8 9.637 3.936 -8.744 1.00 0.00 C ATOM 129 C PRO A 8 10.818 2.999 -8.992 1.00 0.00 C ATOM 130 O PRO A 8 10.652 1.776 -9.021 1.00 0.00 O ATOM 131 CB PRO A 8 9.708 4.520 -7.329 1.00 0.00 C ATOM 132 CG PRO A 8 8.586 3.850 -6.541 1.00 0.00 C ATOM 133 CD PRO A 8 7.839 2.942 -7.507 1.00 0.00 C ATOM 0 HA PRO A 8 9.689 4.717 -9.502 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.678 4.321 -6.873 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.580 5.602 -7.347 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.991 3.276 -5.708 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.914 4.597 -6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.980 1.894 -7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.767 3.138 -7.473 1.00 0.00 H new ATOM 141 N THR A 9 12.030 3.547 -9.108 1.00 0.00 N ATOM 142 CA THR A 9 13.219 2.708 -9.041 1.00 0.00 C ATOM 143 C THR A 9 13.265 1.989 -7.676 1.00 0.00 C ATOM 144 O THR A 9 12.965 2.603 -6.641 1.00 0.00 O ATOM 145 CB THR A 9 14.500 3.503 -9.345 1.00 0.00 C ATOM 146 OG1 THR A 9 15.619 2.668 -9.144 1.00 0.00 O ATOM 147 CG2 THR A 9 14.689 4.725 -8.456 1.00 0.00 C ATOM 0 H THR A 9 12.208 4.542 -9.245 1.00 0.00 H new ATOM 0 HA THR A 9 13.163 1.947 -9.819 1.00 0.00 H new ATOM 0 HB THR A 9 14.406 3.845 -10.376 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.302 2.869 -9.817 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.613 5.234 -8.729 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.847 5.405 -8.588 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.742 4.412 -7.413 1.00 0.00 H new ATOM 155 N PRO A 10 13.748 0.733 -7.624 1.00 0.00 N ATOM 156 CA PRO A 10 14.060 0.076 -6.366 1.00 0.00 C ATOM 157 C PRO A 10 15.256 0.737 -5.675 1.00 0.00 C ATOM 158 O PRO A 10 15.397 0.581 -4.469 1.00 0.00 O ATOM 159 CB PRO A 10 14.354 -1.385 -6.725 1.00 0.00 C ATOM 160 CG PRO A 10 14.888 -1.285 -8.153 1.00 0.00 C ATOM 161 CD PRO A 10 14.061 -0.146 -8.744 1.00 0.00 C ATOM 0 HA PRO A 10 13.234 0.152 -5.659 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.087 -1.827 -6.050 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.457 -2.002 -6.671 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.955 -1.062 -8.171 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.747 -2.215 -8.704 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.620 0.385 -9.515 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.152 -0.524 -9.212 1.00 0.00 H new ATOM 169 N GLU A 11 16.104 1.487 -6.388 1.00 0.00 N ATOM 170 CA GLU A 11 17.307 2.110 -5.833 1.00 0.00 C ATOM 171 C GLU A 11 16.926 3.069 -4.714 1.00 0.00 C ATOM 172 O GLU A 11 17.457 2.992 -3.616 1.00 0.00 O ATOM 173 CB GLU A 11 18.050 2.898 -6.917 1.00 0.00 C ATOM 174 CG GLU A 11 18.589 2.014 -8.046 1.00 0.00 C ATOM 175 CD GLU A 11 18.782 2.849 -9.311 1.00 0.00 C ATOM 176 OE1 GLU A 11 19.610 3.786 -9.294 1.00 0.00 O ATOM 177 OE2 GLU A 11 18.076 2.591 -10.316 1.00 0.00 O ATOM 0 H GLU A 11 15.970 1.680 -7.381 1.00 0.00 H new ATOM 0 HA GLU A 11 17.952 1.321 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.377 3.645 -7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 11 18.879 3.438 -6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.536 1.565 -7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.896 1.196 -8.242 1.00 0.00 H new ATOM 184 N LYS A 12 15.970 3.962 -4.981 1.00 0.00 N ATOM 185 CA LYS A 12 15.507 4.953 -4.014 1.00 0.00 C ATOM 186 C LYS A 12 15.046 4.253 -2.738 1.00 0.00 C ATOM 187 O LYS A 12 15.368 4.675 -1.632 1.00 0.00 O ATOM 188 CB LYS A 12 14.373 5.778 -4.657 1.00 0.00 C ATOM 189 CG LYS A 12 13.867 6.946 -3.794 1.00 0.00 C ATOM 190 CD LYS A 12 14.952 8.016 -3.616 1.00 0.00 C ATOM 191 CE LYS A 12 14.420 9.257 -2.900 1.00 0.00 C ATOM 192 NZ LYS A 12 15.348 10.390 -3.073 1.00 0.00 N ATOM 0 H LYS A 12 15.494 4.016 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 12 16.316 5.630 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.723 6.173 -5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.536 5.114 -4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.987 7.391 -4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.557 6.573 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.783 7.598 -3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.344 8.301 -4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.439 9.519 -3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.290 9.044 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.972 11.225 -2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.276 10.142 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.451 10.603 -4.086 1.00 0.00 H new ATOM 206 N LEU A 13 14.303 3.163 -2.889 1.00 0.00 N ATOM 207 CA LEU A 13 13.774 2.363 -1.796 1.00 0.00 C ATOM 208 C LEU A 13 14.900 1.605 -1.085 1.00 0.00 C ATOM 209 O LEU A 13 14.865 1.428 0.133 1.00 0.00 O ATOM 210 CB LEU A 13 12.698 1.427 -2.367 1.00 0.00 C ATOM 211 CG LEU A 13 11.502 2.205 -2.966 1.00 0.00 C ATOM 212 CD1 LEU A 13 10.643 1.242 -3.772 1.00 0.00 C ATOM 213 CD2 LEU A 13 10.645 2.886 -1.891 1.00 0.00 C ATOM 0 H LEU A 13 14.045 2.802 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 13 13.316 2.999 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.140 0.795 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.340 0.765 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 13 11.902 2.994 -3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.797 1.780 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.239 0.807 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.277 0.448 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.820 3.417 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.248 2.132 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.258 3.593 -1.331 1.00 0.00 H new ATOM 225 N LYS A 14 15.941 1.177 -1.800 1.00 0.00 N ATOM 226 CA LYS A 14 17.161 0.666 -1.202 1.00 0.00 C ATOM 227 C LYS A 14 17.838 1.734 -0.348 1.00 0.00 C ATOM 228 O LYS A 14 18.402 1.367 0.678 1.00 0.00 O ATOM 229 CB LYS A 14 18.081 0.097 -2.297 1.00 0.00 C ATOM 230 CG LYS A 14 17.994 -1.433 -2.384 1.00 0.00 C ATOM 231 CD LYS A 14 16.606 -2.013 -2.699 1.00 0.00 C ATOM 232 CE LYS A 14 16.605 -3.546 -2.636 1.00 0.00 C ATOM 233 NZ LYS A 14 16.835 -4.091 -1.276 1.00 0.00 N ATOM 0 H LYS A 14 15.955 1.178 -2.820 1.00 0.00 H new ATOM 0 HA LYS A 14 16.920 -0.153 -0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 14 17.810 0.531 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.111 0.391 -2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 14 18.690 -1.774 -3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.334 -1.851 -1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.877 -1.619 -1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.293 -1.689 -3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.649 -3.915 -3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.376 -3.928 -3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.654 -5.115 -1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.820 -3.914 -0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.192 -3.627 -0.603 1.00 0.00 H new ATOM 247 N GLU A 15 17.755 3.023 -0.669 1.00 0.00 N ATOM 248 CA GLU A 15 18.352 4.041 0.200 1.00 0.00 C ATOM 249 C GLU A 15 17.501 4.209 1.457 1.00 0.00 C ATOM 250 O GLU A 15 17.988 4.076 2.577 1.00 0.00 O ATOM 251 CB GLU A 15 18.484 5.400 -0.500 1.00 0.00 C ATOM 252 CG GLU A 15 19.143 5.311 -1.881 1.00 0.00 C ATOM 253 CD GLU A 15 19.704 6.641 -2.363 1.00 0.00 C ATOM 254 OE1 GLU A 15 18.895 7.562 -2.633 1.00 0.00 O ATOM 255 OE2 GLU A 15 20.935 6.758 -2.553 1.00 0.00 O ATOM 0 H GLU A 15 17.292 3.384 -1.503 1.00 0.00 H new ATOM 0 HA GLU A 15 19.354 3.698 0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.494 5.844 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.068 6.070 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.947 4.576 -1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.411 4.949 -2.603 1.00 0.00 H new ATOM 262 N LEU A 16 16.215 4.504 1.219 1.00 0.00 N ATOM 263 CA LEU A 16 15.315 5.251 2.100 1.00 0.00 C ATOM 264 C LEU A 16 15.427 4.822 3.550 1.00 0.00 C ATOM 265 O LEU A 16 15.850 5.599 4.408 1.00 0.00 O ATOM 266 CB LEU A 16 13.887 5.155 1.523 1.00 0.00 C ATOM 267 CG LEU A 16 13.270 6.534 1.251 1.00 0.00 C ATOM 268 CD1 LEU A 16 14.018 7.314 0.182 1.00 0.00 C ATOM 269 CD2 LEU A 16 11.854 6.367 0.710 1.00 0.00 C ATOM 0 H LEU A 16 15.753 4.210 0.359 1.00 0.00 H new ATOM 0 HA LEU A 16 15.606 6.301 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.911 4.582 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.253 4.608 2.220 1.00 0.00 H new ATOM 0 HG LEU A 16 13.307 7.067 2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.536 8.280 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 16 15.050 7.468 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.005 6.754 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.420 7.348 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.884 5.796 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.245 5.837 1.442 1.00 0.00 H new ATOM 281 N SER A 17 15.017 3.583 3.782 1.00 0.00 N ATOM 282 CA SER A 17 15.452 2.645 4.789 1.00 0.00 C ATOM 283 C SER A 17 14.555 1.390 4.756 1.00 0.00 C ATOM 284 O SER A 17 14.324 0.777 5.792 1.00 0.00 O ATOM 285 CB SER A 17 15.645 3.282 6.166 1.00 0.00 C ATOM 286 OG SER A 17 14.608 4.144 6.593 1.00 0.00 O ATOM 0 H SER A 17 14.289 3.172 3.198 1.00 0.00 H new ATOM 0 HA SER A 17 16.460 2.308 4.548 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.757 2.486 6.902 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.579 3.843 6.159 1.00 0.00 H new ATOM 0 HG SER A 17 14.642 4.977 6.077 1.00 0.00 H new ATOM 292 N VAL A 18 13.960 1.038 3.605 1.00 0.00 N ATOM 293 CA VAL A 18 12.794 0.153 3.527 1.00 0.00 C ATOM 294 C VAL A 18 13.056 -1.238 4.112 1.00 0.00 C ATOM 295 O VAL A 18 12.155 -1.843 4.685 1.00 0.00 O ATOM 296 CB VAL A 18 12.234 0.098 2.088 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.871 -0.591 2.041 1.00 0.00 C ATOM 298 CG2 VAL A 18 12.046 1.505 1.508 1.00 0.00 C ATOM 0 H VAL A 18 14.281 1.365 2.694 1.00 0.00 H new ATOM 0 HA VAL A 18 12.022 0.588 4.161 1.00 0.00 H new ATOM 0 HB VAL A 18 12.963 -0.464 1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.509 -0.611 1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.966 -1.611 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.164 -0.043 2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.651 1.431 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.347 2.065 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.006 2.021 1.486 1.00 0.00 H new ATOM 308 N GLU A 19 14.284 -1.745 4.046 1.00 0.00 N ATOM 309 CA GLU A 19 14.671 -2.985 4.717 1.00 0.00 C ATOM 310 C GLU A 19 14.487 -2.918 6.249 1.00 0.00 C ATOM 311 O GLU A 19 14.303 -3.959 6.884 1.00 0.00 O ATOM 312 CB GLU A 19 16.125 -3.316 4.355 1.00 0.00 C ATOM 313 CG GLU A 19 17.087 -2.158 4.665 1.00 0.00 C ATOM 314 CD GLU A 19 18.547 -2.559 4.478 1.00 0.00 C ATOM 315 OE1 GLU A 19 19.051 -3.413 5.245 1.00 0.00 O ATOM 316 OE2 GLU A 19 19.208 -2.039 3.549 1.00 0.00 O ATOM 0 H GLU A 19 15.043 -1.306 3.524 1.00 0.00 H new ATOM 0 HA GLU A 19 14.009 -3.778 4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.440 -4.203 4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.185 -3.560 3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.858 -1.313 4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.932 -1.823 5.691 1.00 0.00 H new ATOM 323 N LYS A 20 14.517 -1.729 6.860 1.00 0.00 N ATOM 324 CA LYS A 20 14.306 -1.503 8.291 1.00 0.00 C ATOM 325 C LYS A 20 12.836 -1.292 8.621 1.00 0.00 C ATOM 326 O LYS A 20 12.416 -1.679 9.713 1.00 0.00 O ATOM 327 CB LYS A 20 15.096 -0.279 8.791 1.00 0.00 C ATOM 328 CG LYS A 20 16.564 -0.259 8.337 1.00 0.00 C ATOM 329 CD LYS A 20 17.416 0.653 9.226 1.00 0.00 C ATOM 330 CE LYS A 20 18.666 1.108 8.479 1.00 0.00 C ATOM 331 NZ LYS A 20 19.577 1.904 9.315 1.00 0.00 N ATOM 0 H LYS A 20 14.696 -0.864 6.350 1.00 0.00 H new ATOM 0 HA LYS A 20 14.663 -2.402 8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.604 0.628 8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.062 -0.257 9.880 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.967 -1.272 8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.621 0.082 7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 20 16.832 1.521 9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.701 0.123 10.135 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.197 0.233 8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.370 1.697 7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.407 2.184 8.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.084 2.755 9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.885 1.336 10.130 1.00 0.00 H new ATOM 345 N TRP A 21 12.076 -0.710 7.688 1.00 0.00 N ATOM 346 CA TRP A 21 10.675 -0.357 7.881 1.00 0.00 C ATOM 347 C TRP A 21 9.870 -1.591 8.308 1.00 0.00 C ATOM 348 O TRP A 21 10.275 -2.720 8.010 1.00 0.00 O ATOM 349 CB TRP A 21 10.100 0.229 6.584 1.00 0.00 C ATOM 350 CG TRP A 21 10.665 1.526 6.082 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.699 2.218 6.610 1.00 0.00 C ATOM 352 CD2 TRP A 21 10.237 2.292 4.914 1.00 0.00 C ATOM 353 NE1 TRP A 21 11.958 3.321 5.830 1.00 0.00 N ATOM 354 CE2 TRP A 21 11.096 3.419 4.761 1.00 0.00 C ATOM 355 CE3 TRP A 21 9.210 2.132 3.960 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.974 4.316 3.690 1.00 0.00 C ATOM 357 CZ3 TRP A 21 9.048 3.038 2.897 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.936 4.124 2.755 1.00 0.00 C ATOM 0 H TRP A 21 12.428 -0.469 6.762 1.00 0.00 H new ATOM 0 HA TRP A 21 10.605 0.393 8.669 1.00 0.00 H new ATOM 0 HB2 TRP A 21 10.225 -0.516 5.798 1.00 0.00 H new ATOM 0 HB3 TRP A 21 9.028 0.365 6.726 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.238 1.947 7.506 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.704 3.990 6.022 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.533 1.295 4.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.664 5.140 3.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 8.244 2.902 2.189 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.821 4.810 1.929 1.00 0.00 H new ATOM 369 N PRO A 22 8.720 -1.426 8.972 1.00 0.00 N ATOM 370 CA PRO A 22 7.927 -2.562 9.409 1.00 0.00 C ATOM 371 C PRO A 22 7.299 -3.307 8.222 1.00 0.00 C ATOM 372 O PRO A 22 6.794 -2.708 7.266 1.00 0.00 O ATOM 373 CB PRO A 22 6.893 -1.968 10.363 1.00 0.00 C ATOM 374 CG PRO A 22 6.739 -0.522 9.893 1.00 0.00 C ATOM 375 CD PRO A 22 8.160 -0.178 9.468 1.00 0.00 C ATOM 0 HA PRO A 22 8.527 -3.323 9.908 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.947 -2.507 10.311 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.231 -2.017 11.398 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.033 -0.434 9.067 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.381 0.131 10.689 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.165 0.591 8.695 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.740 0.208 10.306 1.00 0.00 H new ATOM 383 N ILE A 23 7.319 -4.640 8.292 1.00 0.00 N ATOM 384 CA ILE A 23 6.500 -5.504 7.449 1.00 0.00 C ATOM 385 C ILE A 23 5.050 -5.379 7.910 1.00 0.00 C ATOM 386 O ILE A 23 4.773 -5.192 9.098 1.00 0.00 O ATOM 387 CB ILE A 23 7.029 -6.964 7.502 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.305 -7.037 6.641 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.010 -8.024 7.031 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.045 -8.370 6.684 1.00 0.00 C ATOM 0 H ILE A 23 7.912 -5.153 8.944 1.00 0.00 H new ATOM 0 HA ILE A 23 6.555 -5.200 6.404 1.00 0.00 H new ATOM 0 HB ILE A 23 7.230 -7.203 8.546 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.038 -6.822 5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.987 -6.251 6.965 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.458 -9.015 7.099 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.123 -7.982 7.663 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.728 -7.824 5.997 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.927 -8.317 6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.351 -8.584 7.708 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.387 -9.163 6.329 1.00 0.00 H new ATOM 402 N TRP A 24 4.125 -5.572 6.976 1.00 0.00 N ATOM 403 CA TRP A 24 2.744 -5.922 7.243 1.00 0.00 C ATOM 404 C TRP A 24 2.376 -7.002 6.222 1.00 0.00 C ATOM 405 O TRP A 24 2.735 -6.892 5.041 1.00 0.00 O ATOM 406 CB TRP A 24 1.920 -4.630 7.192 1.00 0.00 C ATOM 407 CG TRP A 24 0.425 -4.655 7.257 1.00 0.00 C ATOM 408 CD1 TRP A 24 -0.303 -4.180 8.293 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.551 -5.049 6.244 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.643 -4.200 7.975 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.850 -4.678 6.700 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.477 -5.663 4.975 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.999 -4.856 5.917 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.622 -5.857 4.187 1.00 0.00 C ATOM 415 CH2 TRP A 24 -2.880 -5.455 4.652 1.00 0.00 C ATOM 0 H TRP A 24 4.328 -5.485 5.980 1.00 0.00 H new ATOM 0 HA TRP A 24 2.549 -6.344 8.229 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.263 -4.003 8.015 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.189 -4.119 6.268 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.106 -3.836 9.231 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.388 -3.899 8.604 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.482 -5.991 4.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.964 -4.536 6.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.532 -6.320 3.215 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.757 -5.605 4.040 1.00 0.00 H new ATOM 426 N GLU A 25 1.713 -8.063 6.681 1.00 0.00 N ATOM 427 CA GLU A 25 1.249 -9.200 5.894 1.00 0.00 C ATOM 428 C GLU A 25 -0.124 -9.637 6.393 1.00 0.00 C ATOM 429 O GLU A 25 -0.294 -9.968 7.568 1.00 0.00 O ATOM 430 CB GLU A 25 2.221 -10.387 5.925 1.00 0.00 C ATOM 431 CG GLU A 25 2.954 -10.635 7.259 1.00 0.00 C ATOM 432 CD GLU A 25 3.610 -12.019 7.389 1.00 0.00 C ATOM 433 OE1 GLU A 25 3.263 -12.970 6.647 1.00 0.00 O ATOM 434 OE2 GLU A 25 4.590 -12.127 8.162 1.00 0.00 O ATOM 0 H GLU A 25 1.473 -8.155 7.668 1.00 0.00 H new ATOM 0 HA GLU A 25 1.189 -8.872 4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.667 -11.289 5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.969 -10.237 5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.722 -9.872 7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.244 -10.507 8.076 1.00 0.00 H new ATOM 441 N LYS A 26 -1.113 -9.606 5.501 1.00 0.00 N ATOM 442 CA LYS A 26 -2.499 -9.962 5.811 1.00 0.00 C ATOM 443 C LYS A 26 -2.852 -11.269 5.145 1.00 0.00 C ATOM 444 O LYS A 26 -2.330 -11.594 4.073 1.00 0.00 O ATOM 445 CB LYS A 26 -3.480 -8.870 5.337 1.00 0.00 C ATOM 446 CG LYS A 26 -4.107 -8.076 6.490 1.00 0.00 C ATOM 447 CD LYS A 26 -5.235 -8.840 7.180 1.00 0.00 C ATOM 448 CE LYS A 26 -5.780 -8.051 8.386 1.00 0.00 C ATOM 449 NZ LYS A 26 -6.202 -8.930 9.498 1.00 0.00 N ATOM 0 H LYS A 26 -0.973 -9.329 4.529 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.585 -10.058 6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.955 -8.182 4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.273 -9.334 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.336 -7.834 7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.493 -7.131 6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.040 -9.027 6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.871 -9.812 7.512 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.013 -7.364 8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.627 -7.445 8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.166 -8.676 9.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.186 -9.921 9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.551 -8.812 10.300 1.00 0.00 H new ATOM 463 N GLU A 27 -3.792 -11.962 5.772 1.00 0.00 N ATOM 464 CA GLU A 27 -4.479 -13.083 5.181 1.00 0.00 C ATOM 465 C GLU A 27 -5.336 -12.643 4.004 1.00 0.00 C ATOM 466 O GLU A 27 -5.705 -11.477 3.865 1.00 0.00 O ATOM 467 CB GLU A 27 -5.306 -13.834 6.230 1.00 0.00 C ATOM 468 CG GLU A 27 -6.474 -13.116 6.909 1.00 0.00 C ATOM 469 CD GLU A 27 -6.046 -12.097 7.955 1.00 0.00 C ATOM 470 OE1 GLU A 27 -4.862 -12.067 8.377 1.00 0.00 O ATOM 471 OE2 GLU A 27 -6.888 -11.227 8.263 1.00 0.00 O ATOM 0 H GLU A 27 -4.098 -11.751 6.722 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.729 -13.774 4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.703 -14.731 5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.623 -14.164 7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.070 -12.613 6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.119 -13.857 7.381 1.00 0.00 H new ATOM 478 N VAL A 28 -5.719 -13.632 3.210 1.00 0.00 N ATOM 479 CA VAL A 28 -6.410 -13.536 1.926 1.00 0.00 C ATOM 480 C VAL A 28 -7.904 -13.138 2.043 1.00 0.00 C ATOM 481 O VAL A 28 -8.700 -13.360 1.128 1.00 0.00 O ATOM 482 CB VAL A 28 -6.152 -14.892 1.230 1.00 0.00 C ATOM 483 CG1 VAL A 28 -6.913 -16.065 1.873 1.00 0.00 C ATOM 484 CG2 VAL A 28 -6.416 -14.829 -0.268 1.00 0.00 C ATOM 0 H VAL A 28 -5.541 -14.603 3.465 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.023 -12.715 1.323 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.090 -15.091 1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.686 -16.985 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.608 -16.169 2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.985 -15.873 1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.221 -15.805 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.455 -14.551 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.761 -14.086 -0.722 1.00 0.00 H new ATOM 494 N SER A 29 -8.316 -12.598 3.187 1.00 0.00 N ATOM 495 CA SER A 29 -9.667 -12.126 3.445 1.00 0.00 C ATOM 496 C SER A 29 -9.823 -10.697 2.902 1.00 0.00 C ATOM 497 O SER A 29 -8.947 -10.191 2.200 1.00 0.00 O ATOM 498 CB SER A 29 -9.912 -12.287 4.945 1.00 0.00 C ATOM 499 OG SER A 29 -11.273 -12.133 5.320 1.00 0.00 O ATOM 0 H SER A 29 -7.694 -12.474 3.986 1.00 0.00 H new ATOM 0 HA SER A 29 -10.434 -12.701 2.927 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.568 -13.273 5.257 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.311 -11.554 5.483 1.00 0.00 H new ATOM 0 HG SER A 29 -11.360 -12.249 6.289 1.00 0.00 H new ATOM 505 N GLU A 30 -10.937 -10.029 3.201 1.00 0.00 N ATOM 506 CA GLU A 30 -11.172 -8.642 2.822 1.00 0.00 C ATOM 507 C GLU A 30 -11.787 -7.867 3.975 1.00 0.00 C ATOM 508 O GLU A 30 -12.417 -8.448 4.863 1.00 0.00 O ATOM 509 CB GLU A 30 -12.021 -8.568 1.551 1.00 0.00 C ATOM 510 CG GLU A 30 -13.501 -8.969 1.644 1.00 0.00 C ATOM 511 CD GLU A 30 -14.466 -7.772 1.654 1.00 0.00 C ATOM 512 OE1 GLU A 30 -14.397 -6.918 0.736 1.00 0.00 O ATOM 513 OE2 GLU A 30 -15.351 -7.731 2.536 1.00 0.00 O ATOM 0 H GLU A 30 -11.710 -10.445 3.720 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.216 -8.170 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.976 -7.544 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.551 -9.201 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.747 -9.616 0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.653 -9.555 2.550 1.00 0.00 H new ATOM 520 N PHE A 31 -11.554 -6.560 3.956 1.00 0.00 N ATOM 521 CA PHE A 31 -11.892 -5.615 5.019 1.00 0.00 C ATOM 522 C PHE A 31 -11.867 -4.194 4.435 1.00 0.00 C ATOM 523 O PHE A 31 -11.901 -4.026 3.211 1.00 0.00 O ATOM 524 CB PHE A 31 -10.930 -5.804 6.212 1.00 0.00 C ATOM 525 CG PHE A 31 -9.448 -5.721 5.879 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.739 -6.879 5.514 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.764 -4.497 5.964 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.367 -6.818 5.222 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.399 -4.422 5.655 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.709 -5.581 5.274 1.00 0.00 C ATOM 0 H PHE A 31 -11.103 -6.106 3.162 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.895 -5.795 5.405 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.158 -5.048 6.963 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.129 -6.775 6.666 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.255 -7.826 5.458 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.294 -3.607 6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.824 -7.714 4.960 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.881 -3.476 5.710 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.661 -5.521 5.018 1.00 0.00 H new ATOM 540 N ASP A 32 -11.834 -3.161 5.277 1.00 0.00 N ATOM 541 CA ASP A 32 -11.572 -1.771 4.921 1.00 0.00 C ATOM 542 C ASP A 32 -10.591 -1.158 5.920 1.00 0.00 C ATOM 543 O ASP A 32 -10.468 -1.652 7.043 1.00 0.00 O ATOM 544 CB ASP A 32 -12.867 -0.956 4.865 1.00 0.00 C ATOM 545 CG ASP A 32 -13.552 -0.740 6.215 1.00 0.00 C ATOM 546 OD1 ASP A 32 -13.867 -1.744 6.897 1.00 0.00 O ATOM 547 OD2 ASP A 32 -13.895 0.430 6.494 1.00 0.00 O ATOM 0 H ASP A 32 -11.998 -3.280 6.277 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.129 -1.748 3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.648 0.017 4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.566 -1.458 4.196 1.00 0.00 H new ATOM 552 N TRP A 33 -9.855 -0.123 5.496 1.00 0.00 N ATOM 553 CA TRP A 33 -8.790 0.480 6.297 1.00 0.00 C ATOM 554 C TRP A 33 -8.810 2.009 6.211 1.00 0.00 C ATOM 555 O TRP A 33 -8.769 2.568 5.107 1.00 0.00 O ATOM 556 CB TRP A 33 -7.441 -0.079 5.823 1.00 0.00 C ATOM 557 CG TRP A 33 -6.280 0.271 6.700 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.452 1.322 6.525 1.00 0.00 C ATOM 559 CD2 TRP A 33 -5.851 -0.369 7.938 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.511 1.353 7.533 1.00 0.00 N ATOM 561 CE2 TRP A 33 -4.700 0.320 8.425 1.00 0.00 C ATOM 562 CE3 TRP A 33 -6.338 -1.442 8.712 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -4.034 -0.066 9.594 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -5.694 -1.817 9.906 1.00 0.00 C ATOM 565 CH2 TRP A 33 -4.541 -1.139 10.339 1.00 0.00 C ATOM 0 H TRP A 33 -9.984 0.318 4.586 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.948 0.225 7.345 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.515 -1.164 5.757 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.243 0.289 4.816 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.517 2.034 5.715 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.771 2.051 7.608 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.214 -1.982 8.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.144 0.454 9.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -6.089 -2.632 10.494 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.045 -1.446 11.248 1.00 0.00 H new ATOM 576 N TYR A 34 -8.824 2.698 7.355 1.00 0.00 N ATOM 577 CA TYR A 34 -8.614 4.142 7.453 1.00 0.00 C ATOM 578 C TYR A 34 -7.100 4.416 7.405 1.00 0.00 C ATOM 579 O TYR A 34 -6.348 3.796 8.155 1.00 0.00 O ATOM 580 CB TYR A 34 -9.279 4.686 8.743 1.00 0.00 C ATOM 581 CG TYR A 34 -9.604 6.175 8.703 1.00 0.00 C ATOM 582 CD1 TYR A 34 -8.576 7.097 8.478 1.00 0.00 C ATOM 583 CD2 TYR A 34 -10.921 6.658 8.849 1.00 0.00 C ATOM 584 CE1 TYR A 34 -8.856 8.444 8.216 1.00 0.00 C ATOM 585 CE2 TYR A 34 -11.206 8.031 8.667 1.00 0.00 C ATOM 586 CZ TYR A 34 -10.176 8.919 8.276 1.00 0.00 C ATOM 587 OH TYR A 34 -10.409 10.225 7.972 1.00 0.00 O ATOM 0 H TYR A 34 -8.986 2.255 8.260 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.081 4.664 6.618 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.199 4.130 8.925 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.617 4.493 9.588 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.549 6.764 8.507 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.718 5.974 9.102 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.052 9.121 7.966 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.208 8.401 8.826 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.367 10.414 8.054 1.00 0.00 H new ATOM 597 N TYR A 35 -6.637 5.342 6.560 1.00 0.00 N ATOM 598 CA TYR A 35 -5.288 5.914 6.592 1.00 0.00 C ATOM 599 C TYR A 35 -5.417 7.354 7.078 1.00 0.00 C ATOM 600 O TYR A 35 -5.946 8.194 6.352 1.00 0.00 O ATOM 601 CB TYR A 35 -4.633 5.889 5.200 1.00 0.00 C ATOM 602 CG TYR A 35 -4.271 4.503 4.710 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.198 3.816 5.302 1.00 0.00 C ATOM 604 CD2 TYR A 35 -4.990 3.905 3.661 1.00 0.00 C ATOM 605 CE1 TYR A 35 -2.866 2.518 4.881 1.00 0.00 C ATOM 606 CE2 TYR A 35 -4.670 2.604 3.236 1.00 0.00 C ATOM 607 CZ TYR A 35 -3.613 1.900 3.855 1.00 0.00 C ATOM 608 OH TYR A 35 -3.352 0.616 3.497 1.00 0.00 O ATOM 0 H TYR A 35 -7.211 5.727 5.810 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.655 5.326 7.257 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.312 6.350 4.483 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.731 6.501 5.224 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.625 4.289 6.086 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.791 4.447 3.180 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.041 1.994 5.341 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.232 2.143 2.437 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.959 0.348 2.776 1.00 0.00 H new ATOM 618 N ASP A 36 -4.997 7.656 8.308 1.00 0.00 N ATOM 619 CA ASP A 36 -5.085 8.995 8.893 1.00 0.00 C ATOM 620 C ASP A 36 -3.724 9.622 9.147 1.00 0.00 C ATOM 621 O ASP A 36 -3.644 10.584 9.903 1.00 0.00 O ATOM 622 CB ASP A 36 -5.984 9.062 10.129 1.00 0.00 C ATOM 623 CG ASP A 36 -5.398 8.506 11.419 1.00 0.00 C ATOM 624 OD1 ASP A 36 -5.204 7.275 11.491 1.00 0.00 O ATOM 625 OD2 ASP A 36 -5.354 9.276 12.411 1.00 0.00 O ATOM 0 H ASP A 36 -4.580 6.967 8.935 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.573 9.602 8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.257 10.104 10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.906 8.523 9.911 1.00 0.00 H new ATOM 630 N THR A 37 -2.695 9.141 8.456 1.00 0.00 N ATOM 631 CA THR A 37 -1.362 9.732 8.316 1.00 0.00 C ATOM 632 C THR A 37 -0.759 9.234 6.997 1.00 0.00 C ATOM 633 O THR A 37 -1.316 8.353 6.341 1.00 0.00 O ATOM 634 CB THR A 37 -0.477 9.438 9.553 1.00 0.00 C ATOM 635 OG1 THR A 37 -0.970 8.348 10.311 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.412 10.710 10.408 1.00 0.00 C ATOM 0 H THR A 37 -2.774 8.264 7.941 1.00 0.00 H new ATOM 0 HA THR A 37 -1.427 10.819 8.276 1.00 0.00 H new ATOM 0 HB THR A 37 0.521 9.154 9.218 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.384 8.193 11.081 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.207 10.527 11.286 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.021 11.521 9.822 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.418 10.988 10.724 1.00 0.00 H new ATOM 644 N ASN A 38 0.332 9.866 6.564 1.00 0.00 N ATOM 645 CA ASN A 38 1.025 9.571 5.313 1.00 0.00 C ATOM 646 C ASN A 38 1.621 8.187 5.448 1.00 0.00 C ATOM 647 O ASN A 38 2.359 7.957 6.404 1.00 0.00 O ATOM 648 CB ASN A 38 2.167 10.569 5.081 1.00 0.00 C ATOM 649 CG ASN A 38 1.769 11.992 5.392 1.00 0.00 C ATOM 650 OD1 ASN A 38 1.094 12.637 4.587 1.00 0.00 O ATOM 651 ND2 ASN A 38 2.107 12.455 6.583 1.00 0.00 N ATOM 0 H ASN A 38 0.770 10.621 7.092 1.00 0.00 H new ATOM 0 HA ASN A 38 0.328 9.636 4.478 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.019 10.291 5.701 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.494 10.506 4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.807 13.386 6.872 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.667 11.881 7.213 1.00 0.00 H new ATOM 658 N GLU A 39 1.346 7.293 4.504 1.00 0.00 N ATOM 659 CA GLU A 39 1.827 5.926 4.586 1.00 0.00 C ATOM 660 C GLU A 39 2.342 5.499 3.220 1.00 0.00 C ATOM 661 O GLU A 39 1.565 5.185 2.310 1.00 0.00 O ATOM 662 CB GLU A 39 0.733 5.024 5.163 1.00 0.00 C ATOM 663 CG GLU A 39 1.309 3.654 5.548 1.00 0.00 C ATOM 664 CD GLU A 39 0.350 2.826 6.405 1.00 0.00 C ATOM 665 OE1 GLU A 39 -0.548 3.375 7.071 1.00 0.00 O ATOM 666 OE2 GLU A 39 0.506 1.588 6.466 1.00 0.00 O ATOM 0 H GLU A 39 0.791 7.495 3.673 1.00 0.00 H new ATOM 0 HA GLU A 39 2.669 5.841 5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.289 5.497 6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.064 4.896 4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.550 3.099 4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.243 3.798 6.092 1.00 0.00 H new ATOM 673 N THR A 40 3.664 5.550 3.055 1.00 0.00 N ATOM 674 CA THR A 40 4.331 4.920 1.925 1.00 0.00 C ATOM 675 C THR A 40 4.249 3.407 2.143 1.00 0.00 C ATOM 676 O THR A 40 4.378 2.938 3.277 1.00 0.00 O ATOM 677 CB THR A 40 5.793 5.400 1.838 1.00 0.00 C ATOM 678 OG1 THR A 40 5.826 6.801 1.702 1.00 0.00 O ATOM 679 CG2 THR A 40 6.534 4.786 0.650 1.00 0.00 C ATOM 0 H THR A 40 4.296 6.027 3.699 1.00 0.00 H new ATOM 0 HA THR A 40 3.853 5.187 0.982 1.00 0.00 H new ATOM 0 HB THR A 40 6.288 5.083 2.756 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.581 7.218 2.554 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.560 5.154 0.631 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.540 3.700 0.747 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.031 5.065 -0.276 1.00 0.00 H new ATOM 687 N CYS A 41 4.043 2.622 1.085 1.00 0.00 N ATOM 688 CA CYS A 41 4.112 1.171 1.184 1.00 0.00 C ATOM 689 C CYS A 41 4.561 0.556 -0.142 1.00 0.00 C ATOM 690 O CYS A 41 4.070 0.942 -1.203 1.00 0.00 O ATOM 691 CB CYS A 41 2.779 0.599 1.701 1.00 0.00 C ATOM 692 SG CYS A 41 1.344 1.529 1.084 1.00 0.00 S ATOM 0 H CYS A 41 3.827 2.971 0.151 1.00 0.00 H new ATOM 0 HA CYS A 41 4.870 0.898 1.918 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.691 -0.444 1.397 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.778 0.614 2.791 1.00 0.00 H new ATOM 0 HG CYS A 41 0.250 0.984 1.528 1.00 0.00 H new ATOM 698 N TYR A 42 5.511 -0.379 -0.066 1.00 0.00 N ATOM 699 CA TYR A 42 6.222 -0.991 -1.186 1.00 0.00 C ATOM 700 C TYR A 42 5.810 -2.458 -1.307 1.00 0.00 C ATOM 701 O TYR A 42 6.187 -3.272 -0.461 1.00 0.00 O ATOM 702 CB TYR A 42 7.734 -0.840 -0.945 1.00 0.00 C ATOM 703 CG TYR A 42 8.626 -1.506 -1.970 1.00 0.00 C ATOM 704 CD1 TYR A 42 8.453 -1.279 -3.354 1.00 0.00 C ATOM 705 CD2 TYR A 42 9.694 -2.305 -1.520 1.00 0.00 C ATOM 706 CE1 TYR A 42 9.352 -1.857 -4.276 1.00 0.00 C ATOM 707 CE2 TYR A 42 10.623 -2.828 -2.430 1.00 0.00 C ATOM 708 CZ TYR A 42 10.452 -2.617 -3.814 1.00 0.00 C ATOM 709 OH TYR A 42 11.373 -3.127 -4.677 1.00 0.00 O ATOM 0 H TYR A 42 5.821 -0.749 0.832 1.00 0.00 H new ATOM 0 HA TYR A 42 5.970 -0.498 -2.125 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.975 0.223 -0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.970 -1.249 0.037 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.636 -0.666 -3.705 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.798 -2.517 -0.466 1.00 0.00 H new ATOM 0 HE1 TYR A 42 9.200 -1.719 -5.336 1.00 0.00 H new ATOM 0 HE2 TYR A 42 11.471 -3.393 -2.071 1.00 0.00 H new ATOM 0 HH TYR A 42 12.055 -3.619 -4.174 1.00 0.00 H new ATOM 719 N ILE A 43 4.975 -2.786 -2.300 1.00 0.00 N ATOM 720 CA ILE A 43 4.414 -4.123 -2.477 1.00 0.00 C ATOM 721 C ILE A 43 5.495 -5.030 -3.074 1.00 0.00 C ATOM 722 O ILE A 43 5.926 -4.831 -4.217 1.00 0.00 O ATOM 723 CB ILE A 43 3.145 -4.083 -3.362 1.00 0.00 C ATOM 724 CG1 ILE A 43 2.122 -2.985 -2.982 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.449 -5.461 -3.360 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.640 -3.001 -1.528 1.00 0.00 C ATOM 0 H ILE A 43 4.669 -2.120 -3.009 1.00 0.00 H new ATOM 0 HA ILE A 43 4.104 -4.524 -1.512 1.00 0.00 H new ATOM 0 HB ILE A 43 3.501 -3.828 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.568 -2.012 -3.187 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.254 -3.081 -3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.558 -5.419 -3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.133 -6.214 -3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.165 -5.723 -2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.928 -2.191 -1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.157 -3.955 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.492 -2.869 -0.861 1.00 0.00 H new ATOM 738 N LEU A 44 5.928 -6.043 -2.317 1.00 0.00 N ATOM 739 CA LEU A 44 6.980 -6.953 -2.770 1.00 0.00 C ATOM 740 C LEU A 44 6.426 -8.277 -3.284 1.00 0.00 C ATOM 741 O LEU A 44 7.066 -8.896 -4.130 1.00 0.00 O ATOM 742 CB LEU A 44 7.999 -7.216 -1.651 1.00 0.00 C ATOM 743 CG LEU A 44 8.876 -5.988 -1.317 1.00 0.00 C ATOM 744 CD1 LEU A 44 8.700 -5.563 0.143 1.00 0.00 C ATOM 745 CD2 LEU A 44 10.362 -6.279 -1.552 1.00 0.00 C ATOM 0 H LEU A 44 5.565 -6.252 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 44 7.478 -6.457 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.468 -7.529 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.644 -8.044 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 44 8.550 -5.186 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.329 -4.697 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.657 -5.304 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.989 -6.385 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.949 -5.394 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.675 -7.109 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.520 -6.542 -2.598 1.00 0.00 H new ATOM 757 N GLU A 45 5.264 -8.727 -2.816 1.00 0.00 N ATOM 758 CA GLU A 45 4.670 -9.995 -3.229 1.00 0.00 C ATOM 759 C GLU A 45 3.167 -9.957 -2.938 1.00 0.00 C ATOM 760 O GLU A 45 2.740 -9.231 -2.034 1.00 0.00 O ATOM 761 CB GLU A 45 5.388 -11.156 -2.521 1.00 0.00 C ATOM 762 CG GLU A 45 5.133 -11.192 -1.008 1.00 0.00 C ATOM 763 CD GLU A 45 6.323 -11.714 -0.198 1.00 0.00 C ATOM 764 OE1 GLU A 45 7.402 -11.077 -0.221 1.00 0.00 O ATOM 765 OE2 GLU A 45 6.160 -12.689 0.567 1.00 0.00 O ATOM 0 H GLU A 45 4.704 -8.217 -2.133 1.00 0.00 H new ATOM 0 HA GLU A 45 4.794 -10.154 -4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.062 -12.099 -2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.460 -11.075 -2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.884 -10.187 -0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.265 -11.821 -0.809 1.00 0.00 H new ATOM 772 N GLY A 46 2.371 -10.718 -3.695 1.00 0.00 N ATOM 773 CA GLY A 46 0.914 -10.747 -3.599 1.00 0.00 C ATOM 774 C GLY A 46 0.233 -9.700 -4.489 1.00 0.00 C ATOM 775 O GLY A 46 0.873 -9.059 -5.326 1.00 0.00 O ATOM 0 H GLY A 46 2.735 -11.347 -4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.557 -11.739 -3.876 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.620 -10.581 -2.563 1.00 0.00 H new ATOM 779 N LYS A 47 -1.086 -9.541 -4.315 1.00 0.00 N ATOM 780 CA LYS A 47 -1.954 -8.650 -5.086 1.00 0.00 C ATOM 781 C LYS A 47 -2.978 -8.046 -4.136 1.00 0.00 C ATOM 782 O LYS A 47 -3.453 -8.725 -3.224 1.00 0.00 O ATOM 783 CB LYS A 47 -2.695 -9.445 -6.183 1.00 0.00 C ATOM 784 CG LYS A 47 -2.660 -8.793 -7.575 1.00 0.00 C ATOM 785 CD LYS A 47 -3.398 -7.461 -7.754 1.00 0.00 C ATOM 786 CE LYS A 47 -4.927 -7.504 -7.664 1.00 0.00 C ATOM 787 NZ LYS A 47 -5.563 -8.230 -8.786 1.00 0.00 N ATOM 0 H LYS A 47 -1.598 -10.056 -3.598 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.355 -7.872 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.257 -10.441 -6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.735 -9.574 -5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.616 -8.638 -7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.073 -9.505 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.032 -6.765 -6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.126 -7.049 -8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.215 -7.977 -6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.311 -6.484 -7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.597 -8.164 -8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.262 -7.808 -9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.277 -9.230 -8.759 1.00 0.00 H new ATOM 801 N VAL A 48 -3.370 -6.804 -4.396 1.00 0.00 N ATOM 802 CA VAL A 48 -4.387 -6.087 -3.640 1.00 0.00 C ATOM 803 C VAL A 48 -5.208 -5.264 -4.638 1.00 0.00 C ATOM 804 O VAL A 48 -4.680 -4.775 -5.642 1.00 0.00 O ATOM 805 CB VAL A 48 -3.739 -5.196 -2.553 1.00 0.00 C ATOM 806 CG1 VAL A 48 -4.750 -4.566 -1.585 1.00 0.00 C ATOM 807 CG2 VAL A 48 -2.687 -5.930 -1.706 1.00 0.00 C ATOM 0 H VAL A 48 -2.977 -6.254 -5.160 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.040 -6.784 -3.114 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.259 -4.411 -3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.221 -3.956 -0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.447 -3.940 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.301 -5.354 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.275 -5.245 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.153 -6.775 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.887 -6.290 -2.352 1.00 0.00 H new ATOM 817 N GLU A 49 -6.494 -5.098 -4.344 1.00 0.00 N ATOM 818 CA GLU A 49 -7.431 -4.179 -4.954 1.00 0.00 C ATOM 819 C GLU A 49 -8.015 -3.325 -3.837 1.00 0.00 C ATOM 820 O GLU A 49 -8.577 -3.857 -2.871 1.00 0.00 O ATOM 821 CB GLU A 49 -8.522 -4.957 -5.702 1.00 0.00 C ATOM 822 CG GLU A 49 -7.996 -5.417 -7.066 1.00 0.00 C ATOM 823 CD GLU A 49 -8.767 -6.579 -7.684 1.00 0.00 C ATOM 824 OE1 GLU A 49 -9.971 -6.769 -7.396 1.00 0.00 O ATOM 825 OE2 GLU A 49 -8.135 -7.291 -8.499 1.00 0.00 O ATOM 0 H GLU A 49 -6.938 -5.652 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.940 -3.540 -5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.833 -5.820 -5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.402 -4.328 -5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.023 -4.573 -7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.951 -5.707 -6.959 1.00 0.00 H new ATOM 832 N VAL A 50 -7.863 -2.010 -3.960 1.00 0.00 N ATOM 833 CA VAL A 50 -8.338 -1.017 -3.009 1.00 0.00 C ATOM 834 C VAL A 50 -9.477 -0.273 -3.705 1.00 0.00 C ATOM 835 O VAL A 50 -9.251 0.336 -4.749 1.00 0.00 O ATOM 836 CB VAL A 50 -7.165 -0.105 -2.579 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.572 0.922 -1.509 1.00 0.00 C ATOM 838 CG2 VAL A 50 -5.997 -0.949 -2.020 1.00 0.00 C ATOM 0 H VAL A 50 -7.385 -1.592 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.715 -1.455 -2.085 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.857 0.433 -3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.710 1.534 -1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.364 1.560 -1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.931 0.400 -0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.181 -0.290 -1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.339 -1.516 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.645 -1.638 -2.788 1.00 0.00 H new ATOM 848 N THR A 51 -10.696 -0.355 -3.170 1.00 0.00 N ATOM 849 CA THR A 51 -11.872 0.293 -3.742 1.00 0.00 C ATOM 850 C THR A 51 -12.286 1.412 -2.799 1.00 0.00 C ATOM 851 O THR A 51 -12.541 1.175 -1.611 1.00 0.00 O ATOM 852 CB THR A 51 -12.994 -0.724 -3.998 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.579 -1.616 -5.008 1.00 0.00 O ATOM 854 CG2 THR A 51 -14.295 -0.063 -4.466 1.00 0.00 C ATOM 0 H THR A 51 -10.894 -0.880 -2.318 1.00 0.00 H new ATOM 0 HA THR A 51 -11.644 0.721 -4.718 1.00 0.00 H new ATOM 0 HB THR A 51 -13.188 -1.233 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.288 -2.271 -5.178 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.053 -0.829 -4.632 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.644 0.634 -3.704 1.00 0.00 H new ATOM 0 HG23 THR A 51 -14.115 0.477 -5.396 1.00 0.00 H new ATOM 862 N THR A 52 -12.302 2.643 -3.302 1.00 0.00 N ATOM 863 CA THR A 52 -12.669 3.771 -2.479 1.00 0.00 C ATOM 864 C THR A 52 -14.173 3.779 -2.214 1.00 0.00 C ATOM 865 O THR A 52 -14.954 3.130 -2.913 1.00 0.00 O ATOM 866 CB THR A 52 -12.119 5.086 -3.049 1.00 0.00 C ATOM 867 OG1 THR A 52 -12.812 5.443 -4.222 1.00 0.00 O ATOM 868 CG2 THR A 52 -10.619 5.024 -3.377 1.00 0.00 C ATOM 0 H THR A 52 -12.066 2.875 -4.267 1.00 0.00 H new ATOM 0 HA THR A 52 -12.196 3.669 -1.503 1.00 0.00 H new ATOM 0 HB THR A 52 -12.265 5.831 -2.267 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.371 6.211 -4.642 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.294 5.985 -3.776 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.057 4.798 -2.470 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.440 4.245 -4.118 1.00 0.00 H new ATOM 876 N GLU A 53 -14.599 4.526 -1.199 1.00 0.00 N ATOM 877 CA GLU A 53 -16.013 4.760 -0.938 1.00 0.00 C ATOM 878 C GLU A 53 -16.616 5.582 -2.095 1.00 0.00 C ATOM 879 O GLU A 53 -17.750 5.332 -2.494 1.00 0.00 O ATOM 880 CB GLU A 53 -16.125 5.384 0.462 1.00 0.00 C ATOM 881 CG GLU A 53 -17.558 5.681 0.912 1.00 0.00 C ATOM 882 CD GLU A 53 -17.815 7.182 1.012 1.00 0.00 C ATOM 883 OE1 GLU A 53 -17.422 7.806 2.028 1.00 0.00 O ATOM 884 OE2 GLU A 53 -18.401 7.730 0.052 1.00 0.00 O ATOM 0 H GLU A 53 -13.974 4.985 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.608 3.847 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.663 4.711 1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.553 6.311 0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -18.261 5.237 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.740 5.215 1.880 1.00 0.00 H new ATOM 891 N ASP A 54 -15.812 6.441 -2.729 1.00 0.00 N ATOM 892 CA ASP A 54 -16.084 7.157 -3.986 1.00 0.00 C ATOM 893 C ASP A 54 -16.258 6.206 -5.185 1.00 0.00 C ATOM 894 O ASP A 54 -16.803 6.601 -6.213 1.00 0.00 O ATOM 895 CB ASP A 54 -14.954 8.173 -4.246 1.00 0.00 C ATOM 896 CG ASP A 54 -15.103 8.952 -5.559 1.00 0.00 C ATOM 897 OD1 ASP A 54 -14.658 8.467 -6.618 1.00 0.00 O ATOM 898 OD2 ASP A 54 -15.624 10.089 -5.533 1.00 0.00 O ATOM 0 H ASP A 54 -14.892 6.672 -2.355 1.00 0.00 H new ATOM 0 HA ASP A 54 -17.033 7.682 -3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.919 8.881 -3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.000 7.645 -4.255 1.00 0.00 H new ATOM 903 N GLY A 55 -15.845 4.942 -5.057 1.00 0.00 N ATOM 904 CA GLY A 55 -16.080 3.877 -6.027 1.00 0.00 C ATOM 905 C GLY A 55 -14.855 3.530 -6.868 1.00 0.00 C ATOM 906 O GLY A 55 -14.858 2.487 -7.522 1.00 0.00 O ATOM 0 H GLY A 55 -15.318 4.624 -4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.411 2.983 -5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.892 4.175 -6.690 1.00 0.00 H new ATOM 910 N LYS A 56 -13.802 4.350 -6.838 1.00 0.00 N ATOM 911 CA LYS A 56 -12.578 4.169 -7.618 1.00 0.00 C ATOM 912 C LYS A 56 -11.948 2.842 -7.224 1.00 0.00 C ATOM 913 O LYS A 56 -11.509 2.702 -6.080 1.00 0.00 O ATOM 914 CB LYS A 56 -11.589 5.329 -7.371 1.00 0.00 C ATOM 915 CG LYS A 56 -12.161 6.702 -7.756 1.00 0.00 C ATOM 916 CD LYS A 56 -11.949 7.044 -9.237 1.00 0.00 C ATOM 917 CE LYS A 56 -13.144 7.774 -9.864 1.00 0.00 C ATOM 918 NZ LYS A 56 -13.599 8.955 -9.103 1.00 0.00 N ATOM 0 H LYS A 56 -13.778 5.184 -6.251 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.821 4.166 -8.681 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.309 5.341 -6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.678 5.149 -7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.228 6.721 -7.533 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.693 7.470 -7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.059 7.665 -9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.760 6.125 -9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.875 8.087 -10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.974 7.074 -9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.197 9.550 -9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.147 8.645 -8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.774 9.503 -8.786 1.00 0.00 H new ATOM 932 N LYS A 57 -11.924 1.864 -8.132 1.00 0.00 N ATOM 933 CA LYS A 57 -11.059 0.704 -7.952 1.00 0.00 C ATOM 934 C LYS A 57 -9.622 1.181 -8.138 1.00 0.00 C ATOM 935 O LYS A 57 -9.358 2.104 -8.908 1.00 0.00 O ATOM 936 CB LYS A 57 -11.392 -0.412 -8.965 1.00 0.00 C ATOM 937 CG LYS A 57 -12.373 -1.475 -8.449 1.00 0.00 C ATOM 938 CD LYS A 57 -13.751 -0.947 -8.045 1.00 0.00 C ATOM 939 CE LYS A 57 -14.546 -0.439 -9.251 1.00 0.00 C ATOM 940 NZ LYS A 57 -15.786 0.227 -8.817 1.00 0.00 N ATOM 0 H LYS A 57 -12.484 1.854 -8.984 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.206 0.280 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.810 0.044 -9.863 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.465 -0.905 -9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.504 -2.232 -9.222 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.925 -1.973 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.312 -1.739 -7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.632 -0.139 -7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.936 0.257 -9.827 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.787 -1.273 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.241 0.681 -9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.433 -0.477 -8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.561 0.948 -8.102 1.00 0.00 H new ATOM 954 N TYR A 58 -8.686 0.481 -7.517 1.00 0.00 N ATOM 955 CA TYR A 58 -7.273 0.466 -7.845 1.00 0.00 C ATOM 956 C TYR A 58 -6.831 -0.995 -7.817 1.00 0.00 C ATOM 957 O TYR A 58 -7.482 -1.834 -7.190 1.00 0.00 O ATOM 958 CB TYR A 58 -6.468 1.291 -6.829 1.00 0.00 C ATOM 959 CG TYR A 58 -6.696 2.790 -6.879 1.00 0.00 C ATOM 960 CD1 TYR A 58 -7.816 3.372 -6.254 1.00 0.00 C ATOM 961 CD2 TYR A 58 -5.743 3.617 -7.498 1.00 0.00 C ATOM 962 CE1 TYR A 58 -7.998 4.768 -6.287 1.00 0.00 C ATOM 963 CE2 TYR A 58 -5.900 5.008 -7.515 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.037 5.592 -6.920 1.00 0.00 C ATOM 965 OH TYR A 58 -7.195 6.941 -6.945 1.00 0.00 O ATOM 0 H TYR A 58 -8.906 -0.125 -6.727 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.099 0.910 -8.825 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.710 0.937 -5.827 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.407 1.097 -6.988 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.537 2.746 -5.748 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.877 3.173 -7.967 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.871 5.210 -5.829 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.152 5.632 -7.982 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.441 7.350 -7.419 1.00 0.00 H new ATOM 975 N VAL A 59 -5.704 -1.284 -8.454 1.00 0.00 N ATOM 976 CA VAL A 59 -4.968 -2.545 -8.415 1.00 0.00 C ATOM 977 C VAL A 59 -3.569 -2.156 -7.937 1.00 0.00 C ATOM 978 O VAL A 59 -3.135 -1.029 -8.194 1.00 0.00 O ATOM 979 CB VAL A 59 -4.958 -3.139 -9.842 1.00 0.00 C ATOM 980 CG1 VAL A 59 -4.111 -4.410 -9.947 1.00 0.00 C ATOM 981 CG2 VAL A 59 -6.375 -3.467 -10.343 1.00 0.00 C ATOM 0 H VAL A 59 -5.247 -0.597 -9.054 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.398 -3.301 -7.758 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.517 -2.362 -10.466 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.140 -4.783 -10.971 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.081 -4.184 -9.672 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.508 -5.169 -9.273 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.318 -3.882 -11.349 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.837 -4.195 -9.676 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.975 -2.557 -10.359 1.00 0.00 H new ATOM 991 N ILE A 60 -2.859 -3.040 -7.241 1.00 0.00 N ATOM 992 CA ILE A 60 -1.422 -2.922 -7.021 1.00 0.00 C ATOM 993 C ILE A 60 -0.818 -4.317 -7.093 1.00 0.00 C ATOM 994 O ILE A 60 -1.307 -5.232 -6.424 1.00 0.00 O ATOM 995 CB ILE A 60 -1.068 -2.193 -5.707 1.00 0.00 C ATOM 996 CG1 ILE A 60 -1.864 -2.694 -4.484 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.187 -0.681 -5.911 1.00 0.00 C ATOM 998 CD1 ILE A 60 -1.706 -1.842 -3.218 1.00 0.00 C ATOM 0 H ILE A 60 -3.271 -3.867 -6.809 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.993 -2.294 -7.802 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.033 -2.433 -5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.921 -2.734 -4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.553 -3.714 -4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.937 -0.168 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.501 -0.365 -6.697 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.208 -0.432 -6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.302 -2.272 -2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.657 -1.821 -2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.046 -0.826 -3.418 1.00 0.00 H new ATOM 1010 N GLU A 61 0.193 -4.474 -7.944 1.00 0.00 N ATOM 1011 CA GLU A 61 0.980 -5.689 -8.062 1.00 0.00 C ATOM 1012 C GLU A 61 2.235 -5.562 -7.199 1.00 0.00 C ATOM 1013 O GLU A 61 2.530 -4.499 -6.646 1.00 0.00 O ATOM 1014 CB GLU A 61 1.307 -5.981 -9.544 1.00 0.00 C ATOM 1015 CG GLU A 61 2.465 -5.168 -10.169 1.00 0.00 C ATOM 1016 CD GLU A 61 2.704 -5.465 -11.660 1.00 0.00 C ATOM 1017 OE1 GLU A 61 2.235 -6.518 -12.156 1.00 0.00 O ATOM 1018 OE2 GLU A 61 3.398 -4.664 -12.335 1.00 0.00 O ATOM 0 H GLU A 61 0.491 -3.739 -8.585 1.00 0.00 H new ATOM 0 HA GLU A 61 0.407 -6.541 -7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.544 -7.041 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.408 -5.802 -10.133 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.255 -4.105 -10.050 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.381 -5.376 -9.616 1.00 0.00 H new ATOM 1025 N LYS A 62 3.009 -6.644 -7.137 1.00 0.00 N ATOM 1026 CA LYS A 62 4.375 -6.711 -6.624 1.00 0.00 C ATOM 1027 C LYS A 62 5.336 -5.841 -7.440 1.00 0.00 C ATOM 1028 O LYS A 62 6.254 -6.314 -8.108 1.00 0.00 O ATOM 1029 CB LYS A 62 4.797 -8.183 -6.548 1.00 0.00 C ATOM 1030 CG LYS A 62 4.805 -8.904 -7.907 1.00 0.00 C ATOM 1031 CD LYS A 62 4.573 -10.405 -7.697 1.00 0.00 C ATOM 1032 CE LYS A 62 4.691 -11.226 -8.988 1.00 0.00 C ATOM 1033 NZ LYS A 62 3.429 -11.280 -9.756 1.00 0.00 N ATOM 0 H LYS A 62 2.679 -7.552 -7.464 1.00 0.00 H new ATOM 0 HA LYS A 62 4.414 -6.293 -5.618 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.794 -8.242 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.122 -8.709 -5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.029 -8.493 -8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.758 -8.740 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.295 -10.779 -6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.582 -10.556 -7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.473 -10.797 -9.615 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.002 -12.241 -8.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.570 -11.847 -10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.686 -11.715 -9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.142 -10.316 -10.020 1.00 0.00 H new ATOM 1047 N GLY A 63 5.176 -4.539 -7.350 1.00 0.00 N ATOM 1048 CA GLY A 63 6.003 -3.554 -8.031 1.00 0.00 C ATOM 1049 C GLY A 63 5.403 -2.156 -8.032 1.00 0.00 C ATOM 1050 O GLY A 63 6.114 -1.222 -8.393 1.00 0.00 O ATOM 0 H GLY A 63 4.442 -4.117 -6.782 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.982 -3.520 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.162 -3.874 -9.061 1.00 0.00 H new ATOM 1054 N ASP A 64 4.148 -1.972 -7.613 1.00 0.00 N ATOM 1055 CA ASP A 64 3.609 -0.647 -7.338 1.00 0.00 C ATOM 1056 C ASP A 64 4.111 -0.252 -5.943 1.00 0.00 C ATOM 1057 O ASP A 64 4.108 -1.066 -5.014 1.00 0.00 O ATOM 1058 CB ASP A 64 2.071 -0.678 -7.354 1.00 0.00 C ATOM 1059 CG ASP A 64 1.414 -0.880 -8.728 1.00 0.00 C ATOM 1060 OD1 ASP A 64 1.074 0.109 -9.414 1.00 0.00 O ATOM 1061 OD2 ASP A 64 1.080 -2.038 -9.069 1.00 0.00 O ATOM 0 H ASP A 64 3.486 -2.732 -7.457 1.00 0.00 H new ATOM 0 HA ASP A 64 3.931 0.069 -8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.737 -1.478 -6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.704 0.258 -6.933 1.00 0.00 H new ATOM 1066 N LEU A 65 4.566 0.991 -5.779 1.00 0.00 N ATOM 1067 CA LEU A 65 4.724 1.651 -4.488 1.00 0.00 C ATOM 1068 C LEU A 65 3.564 2.637 -4.396 1.00 0.00 C ATOM 1069 O LEU A 65 3.225 3.295 -5.382 1.00 0.00 O ATOM 1070 CB LEU A 65 6.084 2.359 -4.412 1.00 0.00 C ATOM 1071 CG LEU A 65 6.297 3.265 -3.173 1.00 0.00 C ATOM 1072 CD1 LEU A 65 7.101 2.524 -2.109 1.00 0.00 C ATOM 1073 CD2 LEU A 65 7.022 4.560 -3.538 1.00 0.00 C ATOM 0 H LEU A 65 4.842 1.581 -6.564 1.00 0.00 H new ATOM 0 HA LEU A 65 4.706 0.948 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.869 1.603 -4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.209 2.965 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 65 5.311 3.520 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.244 3.172 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.562 1.626 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.072 2.244 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.153 5.168 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.998 4.324 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.433 5.113 -4.270 1.00 0.00 H new ATOM 1085 N VAL A 66 2.964 2.736 -3.217 1.00 0.00 N ATOM 1086 CA VAL A 66 1.807 3.570 -2.946 1.00 0.00 C ATOM 1087 C VAL A 66 2.210 4.597 -1.893 1.00 0.00 C ATOM 1088 O VAL A 66 3.158 4.397 -1.126 1.00 0.00 O ATOM 1089 CB VAL A 66 0.642 2.657 -2.496 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.675 3.415 -2.277 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.382 1.524 -3.500 1.00 0.00 C ATOM 0 H VAL A 66 3.282 2.219 -2.397 1.00 0.00 H new ATOM 0 HA VAL A 66 1.466 4.114 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 66 0.968 2.245 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.450 2.715 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.535 4.172 -1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.977 3.897 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.444 0.907 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.127 1.949 -4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.278 0.911 -3.597 1.00 0.00 H new ATOM 1101 N THR A 67 1.486 5.708 -1.841 1.00 0.00 N ATOM 1102 CA THR A 67 1.559 6.676 -0.769 1.00 0.00 C ATOM 1103 C THR A 67 0.126 7.098 -0.459 1.00 0.00 C ATOM 1104 O THR A 67 -0.477 7.870 -1.213 1.00 0.00 O ATOM 1105 CB THR A 67 2.470 7.844 -1.167 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.694 7.371 -1.717 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.772 8.714 0.067 1.00 0.00 C ATOM 0 H THR A 67 0.815 5.962 -2.566 1.00 0.00 H new ATOM 0 HA THR A 67 2.007 6.259 0.133 1.00 0.00 H new ATOM 0 HB THR A 67 1.952 8.436 -1.922 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.258 8.133 -1.965 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.419 9.542 -0.221 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.839 9.107 0.472 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.271 8.110 0.825 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.442 6.552 0.616 1.00 0.00 N ATOM 1116 CA PHE A 68 -1.749 6.971 1.101 1.00 0.00 C ATOM 1117 C PHE A 68 -1.641 8.355 1.757 1.00 0.00 C ATOM 1118 O PHE A 68 -0.561 8.745 2.228 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.307 5.910 2.056 1.00 0.00 C ATOM 1120 CG PHE A 68 -2.705 4.641 1.326 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -3.896 4.616 0.574 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -1.880 3.502 1.361 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -4.253 3.468 -0.155 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -2.245 2.350 0.642 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.425 2.333 -0.121 1.00 0.00 C ATOM 0 H PHE A 68 -0.010 5.812 1.169 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.449 7.062 0.270 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.559 5.674 2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.173 6.314 2.580 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.539 5.484 0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.968 3.512 1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.161 3.458 -0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.615 1.473 0.676 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.695 1.449 -0.680 1.00 0.00 H new ATOM 1135 N PRO A 69 -2.734 9.138 1.772 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.730 10.454 2.374 1.00 0.00 C ATOM 1137 C PRO A 69 -2.975 10.360 3.874 1.00 0.00 C ATOM 1138 O PRO A 69 -3.408 9.346 4.414 1.00 0.00 O ATOM 1139 CB PRO A 69 -3.880 11.194 1.703 1.00 0.00 C ATOM 1140 CG PRO A 69 -4.910 10.083 1.632 1.00 0.00 C ATOM 1141 CD PRO A 69 -4.065 8.860 1.243 1.00 0.00 C ATOM 0 HA PRO A 69 -1.774 10.959 2.240 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.226 12.045 2.290 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.611 11.575 0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.415 9.938 2.587 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.682 10.294 0.892 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.476 7.945 1.669 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.040 8.725 0.162 1.00 0.00 H new ATOM 1149 N LYS A 70 -2.843 11.516 4.504 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.330 11.746 5.849 1.00 0.00 C ATOM 1151 C LYS A 70 -4.822 12.024 5.705 1.00 0.00 C ATOM 1152 O LYS A 70 -5.192 13.164 5.433 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.515 12.891 6.491 1.00 0.00 C ATOM 1154 CG LYS A 70 -2.925 13.161 7.945 1.00 0.00 C ATOM 1155 CD LYS A 70 -1.902 14.021 8.688 1.00 0.00 C ATOM 1156 CE LYS A 70 -2.364 14.367 10.113 1.00 0.00 C ATOM 1157 NZ LYS A 70 -3.511 15.302 10.161 1.00 0.00 N ATOM 0 H LYS A 70 -2.389 12.329 4.088 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.202 10.898 6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.455 12.641 6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.648 13.800 5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.894 13.660 7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.046 12.212 8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.950 13.492 8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.729 14.941 8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.636 13.447 10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.528 14.804 10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.744 15.515 11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.262 16.183 9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.334 14.866 9.698 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.670 10.996 5.768 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.120 11.140 5.771 1.00 0.00 C ATOM 1173 C GLY A 71 -7.790 10.471 4.574 1.00 0.00 C ATOM 1174 O GLY A 71 -8.216 11.155 3.636 1.00 0.00 O ATOM 0 H GLY A 71 -5.360 10.026 5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.520 10.712 6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.374 12.200 5.777 1.00 0.00 H new ATOM 1178 N LEU A 72 -7.947 9.148 4.605 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.759 8.380 3.667 1.00 0.00 C ATOM 1180 C LEU A 72 -9.353 7.173 4.398 1.00 0.00 C ATOM 1181 O LEU A 72 -8.775 6.728 5.383 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.865 7.943 2.497 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.620 7.311 1.319 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -9.578 8.303 0.643 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -7.603 6.825 0.289 1.00 0.00 C ATOM 0 H LEU A 72 -7.496 8.563 5.309 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.581 8.979 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.313 8.810 2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.129 7.228 2.866 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.216 6.485 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.089 7.810 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.314 8.650 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.012 9.154 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.126 6.373 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.009 7.669 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.946 6.085 0.747 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.485 6.638 3.932 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.170 5.482 4.511 1.00 0.00 C ATOM 1199 C ARG A 73 -11.765 4.673 3.362 1.00 0.00 C ATOM 1200 O ARG A 73 -12.731 5.117 2.742 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.191 5.949 5.567 1.00 0.00 C ATOM 1202 CG ARG A 73 -13.299 6.889 5.053 1.00 0.00 C ATOM 1203 CD ARG A 73 -13.969 7.714 6.164 1.00 0.00 C ATOM 1204 NE ARG A 73 -14.300 9.062 5.671 1.00 0.00 N ATOM 1205 CZ ARG A 73 -15.199 9.340 4.726 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -16.174 8.484 4.446 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -15.052 10.457 4.023 1.00 0.00 N ATOM 0 H ARG A 73 -10.965 7.012 3.113 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.489 4.825 5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.661 5.069 6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.652 6.456 6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.874 7.568 4.314 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.059 6.297 4.543 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.874 7.211 6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.303 7.787 7.024 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.800 9.848 6.087 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.241 7.603 4.956 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.856 8.707 3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.266 11.079 4.212 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.725 10.693 3.294 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.126 3.573 2.961 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.475 2.823 1.753 1.00 0.00 C ATOM 1223 C CYS A 74 -11.257 1.325 1.963 1.00 0.00 C ATOM 1224 O CYS A 74 -10.526 0.916 2.868 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.642 3.309 0.562 1.00 0.00 C ATOM 1226 SG CYS A 74 -11.008 5.050 0.185 1.00 0.00 S ATOM 0 H CYS A 74 -10.340 3.172 3.473 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.530 2.995 1.541 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -9.581 3.196 0.784 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.853 2.691 -0.311 1.00 0.00 H new ATOM 0 HG CYS A 74 -11.906 5.494 1.014 1.00 0.00 H new ATOM 1232 N ARG A 75 -11.868 0.502 1.108 1.00 0.00 N ATOM 1233 CA ARG A 75 -11.857 -0.946 1.261 1.00 0.00 C ATOM 1234 C ARG A 75 -10.510 -1.533 0.870 1.00 0.00 C ATOM 1235 O ARG A 75 -9.830 -0.985 0.008 1.00 0.00 O ATOM 1236 CB ARG A 75 -12.992 -1.587 0.451 1.00 0.00 C ATOM 1237 CG ARG A 75 -14.192 -1.930 1.345 1.00 0.00 C ATOM 1238 CD ARG A 75 -14.937 -0.668 1.799 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.716 -0.060 0.705 1.00 0.00 N ATOM 1240 CZ ARG A 75 -16.986 -0.381 0.401 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -17.610 -1.393 1.001 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -17.639 0.305 -0.523 1.00 0.00 N ATOM 0 H ARG A 75 -12.384 0.826 0.290 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.021 -1.172 2.315 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.308 -0.905 -0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.628 -2.492 -0.036 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.876 -2.582 0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.849 -2.485 2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.605 -0.919 2.623 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.219 0.059 2.180 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.259 0.655 0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.124 -1.944 1.709 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.574 -1.617 0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.179 1.077 -1.005 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.602 0.061 -0.753 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.171 -2.672 1.466 1.00 0.00 N ATOM 1257 CA TRP A 76 -9.007 -3.486 1.181 1.00 0.00 C ATOM 1258 C TRP A 76 -9.487 -4.913 0.940 1.00 0.00 C ATOM 1259 O TRP A 76 -9.718 -5.668 1.887 1.00 0.00 O ATOM 1260 CB TRP A 76 -7.973 -3.405 2.316 1.00 0.00 C ATOM 1261 CG TRP A 76 -6.845 -2.470 2.035 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -6.970 -1.145 1.822 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.434 -2.779 1.819 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.746 -0.613 1.487 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.768 -1.579 1.434 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -4.655 -3.956 1.860 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.411 -1.547 1.090 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.287 -3.936 1.520 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.669 -2.736 1.120 1.00 0.00 C ATOM 0 H TRP A 76 -10.744 -3.072 2.209 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.496 -3.118 0.291 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -8.475 -3.090 3.231 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.570 -4.401 2.500 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -7.891 -0.586 1.902 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.584 0.377 1.301 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.115 -4.887 2.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -2.941 -0.617 0.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -2.709 -4.847 1.567 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.627 -2.731 0.837 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.659 -5.295 -0.325 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.721 -6.709 -0.675 1.00 0.00 C ATOM 1282 C LYS A 77 -8.272 -7.185 -0.614 1.00 0.00 C ATOM 1283 O LYS A 77 -7.402 -6.427 -1.053 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.372 -6.831 -2.067 1.00 0.00 C ATOM 1285 CG LYS A 77 -10.695 -8.265 -2.523 1.00 0.00 C ATOM 1286 CD LYS A 77 -12.110 -8.747 -2.146 1.00 0.00 C ATOM 1287 CE LYS A 77 -12.235 -10.265 -2.371 1.00 0.00 C ATOM 1288 NZ LYS A 77 -13.305 -10.899 -1.568 1.00 0.00 N ATOM 0 H LYS A 77 -9.756 -4.654 -1.112 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.328 -7.325 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.295 -6.251 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.707 -6.376 -2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.580 -8.324 -3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.964 -8.946 -2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.317 -8.509 -1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.853 -8.221 -2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.426 -10.452 -3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.283 -10.739 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.564 -11.812 -1.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.965 -11.054 -0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.138 -10.277 -1.548 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.985 -8.421 -0.214 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.642 -8.990 -0.384 1.00 0.00 C ATOM 1304 C VAL A 78 -6.809 -10.263 -1.214 1.00 0.00 C ATOM 1305 O VAL A 78 -7.151 -11.330 -0.696 1.00 0.00 O ATOM 1306 CB VAL A 78 -5.929 -9.251 0.967 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.416 -9.196 0.761 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -6.257 -8.234 2.077 1.00 0.00 C ATOM 0 H VAL A 78 -8.657 -9.048 0.228 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.991 -8.282 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.288 -10.228 1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.913 -9.379 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.119 -9.957 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.135 -8.212 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.713 -8.497 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.962 -7.235 1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.328 -8.249 2.279 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.649 -10.141 -2.533 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.829 -11.266 -3.432 1.00 0.00 C ATOM 1320 C LEU A 79 -5.753 -12.312 -3.212 1.00 0.00 C ATOM 1321 O LEU A 79 -6.062 -13.498 -3.334 1.00 0.00 O ATOM 1322 CB LEU A 79 -6.872 -10.843 -4.906 1.00 0.00 C ATOM 1323 CG LEU A 79 -8.137 -10.071 -5.327 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -8.195 -10.011 -6.846 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.436 -10.681 -4.807 1.00 0.00 C ATOM 0 H LEU A 79 -6.394 -9.269 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.800 -11.701 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.000 -10.223 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.786 -11.735 -5.527 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.059 -9.078 -4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.087 -9.466 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.309 -9.501 -7.224 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.230 -11.023 -7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.281 -10.081 -5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.538 -11.698 -5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.418 -10.700 -3.717 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.540 -11.897 -2.833 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.473 -12.831 -2.510 1.00 0.00 C ATOM 1339 C GLU A 80 -2.785 -12.392 -1.224 1.00 0.00 C ATOM 1340 O GLU A 80 -2.616 -11.188 -1.051 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.420 -12.864 -3.637 1.00 0.00 C ATOM 1342 CG GLU A 80 -2.948 -13.050 -5.063 1.00 0.00 C ATOM 1343 CD GLU A 80 -1.850 -13.043 -6.135 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -0.630 -12.942 -5.850 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -2.229 -13.190 -7.315 1.00 0.00 O ATOM 0 H GLU A 80 -4.279 -10.915 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.910 -13.823 -2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.854 -11.933 -3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.719 -13.671 -3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.492 -13.993 -5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.662 -12.257 -5.282 1.00 0.00 H new ATOM 1352 N PRO A 81 -2.328 -13.324 -0.365 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.699 -13.014 0.914 1.00 0.00 C ATOM 1354 C PRO A 81 -0.427 -12.189 0.683 1.00 0.00 C ATOM 1355 O PRO A 81 0.636 -12.719 0.364 1.00 0.00 O ATOM 1356 CB PRO A 81 -1.455 -14.367 1.597 1.00 0.00 C ATOM 1357 CG PRO A 81 -1.365 -15.344 0.428 1.00 0.00 C ATOM 1358 CD PRO A 81 -2.376 -14.767 -0.556 1.00 0.00 C ATOM 0 HA PRO A 81 -2.319 -12.395 1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.538 -14.360 2.186 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.268 -14.627 2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.361 -15.381 0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.622 -16.360 0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.122 -15.035 -1.581 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.376 -15.155 -0.363 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.564 -10.870 0.776 1.00 0.00 N ATOM 1367 CA VAL A 82 0.427 -9.894 0.351 1.00 0.00 C ATOM 1368 C VAL A 82 1.495 -9.725 1.434 1.00 0.00 C ATOM 1369 O VAL A 82 1.226 -9.969 2.618 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.344 -8.594 0.005 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -0.942 -7.922 1.250 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.464 -7.548 -0.773 1.00 0.00 C ATOM 0 H VAL A 82 -1.402 -10.438 1.165 1.00 0.00 H new ATOM 0 HA VAL A 82 0.976 -10.211 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.138 -8.946 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.472 -7.016 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.637 -8.607 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.142 -7.665 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.161 -6.676 -0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.332 -7.249 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.796 -7.975 -1.720 1.00 0.00 H new ATOM 1382 N ARG A 83 2.666 -9.209 1.052 1.00 0.00 N ATOM 1383 CA ARG A 83 3.671 -8.669 1.968 1.00 0.00 C ATOM 1384 C ARG A 83 4.050 -7.296 1.442 1.00 0.00 C ATOM 1385 O ARG A 83 4.258 -7.136 0.234 1.00 0.00 O ATOM 1386 CB ARG A 83 4.902 -9.588 2.007 1.00 0.00 C ATOM 1387 CG ARG A 83 5.623 -9.633 3.356 1.00 0.00 C ATOM 1388 CD ARG A 83 6.778 -10.650 3.276 1.00 0.00 C ATOM 1389 NE ARG A 83 7.224 -11.095 4.600 1.00 0.00 N ATOM 1390 CZ ARG A 83 6.513 -11.864 5.429 1.00 0.00 C ATOM 1391 NH1 ARG A 83 5.396 -12.456 5.005 1.00 0.00 N ATOM 1392 NH2 ARG A 83 6.891 -12.001 6.692 1.00 0.00 N ATOM 0 H ARG A 83 2.947 -9.154 0.073 1.00 0.00 H new ATOM 0 HA ARG A 83 3.281 -8.602 2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.592 -10.599 1.742 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.608 -9.260 1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.008 -8.645 3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.927 -9.916 4.145 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.458 -11.514 2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.617 -10.201 2.745 1.00 0.00 H new ATOM 0 HE ARG A 83 8.148 -10.794 4.912 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.081 -12.323 4.044 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.856 -13.042 5.642 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.724 -11.519 7.030 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.349 -12.588 7.326 1.00 0.00 H new ATOM 1406 N LYS A 84 4.124 -6.296 2.313 1.00 0.00 N ATOM 1407 CA LYS A 84 4.693 -5.008 1.946 1.00 0.00 C ATOM 1408 C LYS A 84 5.473 -4.475 3.130 1.00 0.00 C ATOM 1409 O LYS A 84 5.126 -4.742 4.284 1.00 0.00 O ATOM 1410 CB LYS A 84 3.597 -4.066 1.389 1.00 0.00 C ATOM 1411 CG LYS A 84 2.813 -3.121 2.312 1.00 0.00 C ATOM 1412 CD LYS A 84 2.128 -3.782 3.504 1.00 0.00 C ATOM 1413 CE LYS A 84 0.982 -2.917 4.038 1.00 0.00 C ATOM 1414 NZ LYS A 84 -0.291 -3.169 3.335 1.00 0.00 N ATOM 0 H LYS A 84 3.797 -6.354 3.277 1.00 0.00 H new ATOM 0 HA LYS A 84 5.404 -5.099 1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.068 -3.446 0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.865 -4.695 0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.496 -2.358 2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.056 -2.608 1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.743 -4.758 3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.857 -3.953 4.296 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.850 -3.111 5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.247 -1.865 3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.999 -2.469 3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.142 -3.091 2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.630 -4.125 3.564 1.00 0.00 H new ATOM 1428 N HIS A 85 6.487 -3.675 2.841 1.00 0.00 N ATOM 1429 CA HIS A 85 7.068 -2.774 3.811 1.00 0.00 C ATOM 1430 C HIS A 85 6.198 -1.527 3.789 1.00 0.00 C ATOM 1431 O HIS A 85 5.971 -0.986 2.703 1.00 0.00 O ATOM 1432 CB HIS A 85 8.530 -2.514 3.431 1.00 0.00 C ATOM 1433 CG HIS A 85 9.427 -3.617 3.930 1.00 0.00 C ATOM 1434 ND1 HIS A 85 10.195 -4.505 3.207 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.612 -3.904 5.248 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.804 -5.318 4.090 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.478 -4.992 5.341 1.00 0.00 N ATOM 0 H HIS A 85 6.928 -3.636 1.922 1.00 0.00 H new ATOM 0 HA HIS A 85 7.090 -3.172 4.825 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.618 -2.432 2.348 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.853 -1.561 3.850 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.164 -3.379 6.079 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.468 -6.126 3.821 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.798 -5.448 6.195 1.00 0.00 H new ATOM 1445 N TYR A 86 5.667 -1.102 4.940 1.00 0.00 N ATOM 1446 CA TYR A 86 4.931 0.158 5.066 1.00 0.00 C ATOM 1447 C TYR A 86 5.747 1.113 5.931 1.00 0.00 C ATOM 1448 O TYR A 86 6.577 0.670 6.722 1.00 0.00 O ATOM 1449 CB TYR A 86 3.519 -0.054 5.647 1.00 0.00 C ATOM 1450 CG TYR A 86 3.447 -0.315 7.147 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.694 -1.605 7.662 1.00 0.00 C ATOM 1452 CD2 TYR A 86 3.116 0.735 8.033 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.608 -1.847 9.049 1.00 0.00 C ATOM 1454 CE2 TYR A 86 3.067 0.503 9.421 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.315 -0.789 9.942 1.00 0.00 C ATOM 1456 OH TYR A 86 3.283 -1.000 11.291 1.00 0.00 O ATOM 0 H TYR A 86 5.736 -1.625 5.813 1.00 0.00 H new ATOM 0 HA TYR A 86 4.790 0.588 4.074 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.919 0.828 5.422 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.057 -0.895 5.129 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.950 -2.411 6.991 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.900 1.719 7.644 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.767 -2.845 9.431 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.838 1.317 10.093 1.00 0.00 H new ATOM 0 HH TYR A 86 3.067 -0.161 11.748 1.00 0.00 H new ATOM 1466 N ASN A 87 5.514 2.416 5.800 1.00 0.00 N ATOM 1467 CA ASN A 87 6.100 3.401 6.686 1.00 0.00 C ATOM 1468 C ASN A 87 5.195 4.614 6.796 1.00 0.00 C ATOM 1469 O ASN A 87 4.995 5.335 5.816 1.00 0.00 O ATOM 1470 CB ASN A 87 7.491 3.817 6.210 1.00 0.00 C ATOM 1471 CG ASN A 87 8.065 4.813 7.196 1.00 0.00 C ATOM 1472 OD1 ASN A 87 8.162 4.506 8.376 1.00 0.00 O ATOM 1473 ND2 ASN A 87 8.427 6.019 6.787 1.00 0.00 N ATOM 0 H ASN A 87 4.914 2.812 5.076 1.00 0.00 H new ATOM 0 HA ASN A 87 6.205 2.947 7.671 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.140 2.945 6.133 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.433 4.260 5.216 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.789 6.697 7.457 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.344 6.270 5.802 1.00 0.00 H new ATOM 1480 N LEU A 88 4.668 4.820 8.000 1.00 0.00 N ATOM 1481 CA LEU A 88 3.998 6.043 8.426 1.00 0.00 C ATOM 1482 C LEU A 88 5.042 7.160 8.452 1.00 0.00 C ATOM 1483 O LEU A 88 6.175 6.879 8.849 1.00 0.00 O ATOM 1484 CB LEU A 88 3.434 5.855 9.846 1.00 0.00 C ATOM 1485 CG LEU A 88 2.448 4.683 10.006 1.00 0.00 C ATOM 1486 CD1 LEU A 88 2.168 4.454 11.492 1.00 0.00 C ATOM 1487 CD2 LEU A 88 1.133 4.938 9.282 1.00 0.00 C ATOM 0 H LEU A 88 4.698 4.111 8.733 1.00 0.00 H new ATOM 0 HA LEU A 88 3.182 6.285 7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.266 5.706 10.534 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.933 6.775 10.146 1.00 0.00 H new ATOM 0 HG LEU A 88 2.908 3.801 9.562 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.470 3.625 11.607 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.100 4.218 12.006 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.734 5.356 11.924 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.469 4.085 9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.663 5.834 9.686 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.325 5.077 8.218 1.00 0.00 H new ATOM 1499 N PHE A 89 4.721 8.406 8.094 1.00 0.00 N ATOM 1500 CA PHE A 89 5.664 9.517 8.224 1.00 0.00 C ATOM 1501 C PHE A 89 4.967 10.819 8.564 1.00 0.00 C ATOM 1502 O PHE A 89 5.666 11.678 9.154 1.00 0.00 O ATOM 1503 CB PHE A 89 6.576 9.636 6.994 1.00 0.00 C ATOM 1504 CG PHE A 89 5.922 9.914 5.655 1.00 0.00 C ATOM 1505 CD1 PHE A 89 5.324 8.862 4.937 1.00 0.00 C ATOM 1506 CD2 PHE A 89 6.005 11.194 5.072 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.839 9.079 3.636 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.516 11.414 3.772 1.00 0.00 C ATOM 1509 CZ PHE A 89 4.946 10.352 3.046 1.00 0.00 C ATOM 0 H PHE A 89 3.813 8.670 7.711 1.00 0.00 H new ATOM 0 HA PHE A 89 6.313 9.292 9.070 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.296 10.431 7.187 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.141 8.708 6.905 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.237 7.884 5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.446 12.010 5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.383 8.267 3.088 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.578 12.398 3.331 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.592 10.513 2.039 1.00 0.00 H new