USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 580 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 641 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 643 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 644 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 645 THR OG1 : rot 49:sc= 0.0243 USER MOD Single : A 649 THR OG1 : rot 180:sc= 0 USER MOD Single : A 650 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 180:sc= 0 USER MOD Single : A 660 GLN : amide:sc= -0.0571 K(o=-0.057,f=-1.6!) USER MOD Single : A 661 SER OG : rot -170:sc= -0.24 USER MOD Single : A 664 GLN : amide:sc= -0.0426 K(o=-0.043,f=-1.2) USER MOD Single : A 669 TYR OH : rot 180:sc= 0 USER MOD Single : A 676 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 677 THR OG1 : rot 74:sc= 0.218 USER MOD Single : A 679 SER OG : rot -75:sc= 1.06 USER MOD Single : A 681 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 686 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 687 TYR OH : rot 180:sc= -0.523 USER MOD Single : A 688 THR OG1 : rot -7:sc= 1.6 USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 694 GLN : amide:sc= -0.015 K(o=-0.015,f=-1) USER MOD Single : A 695 ASN : amide:sc= -0.125 K(o=-0.12,f=-1.2!) USER MOD Single : A 696 GLN : amide:sc= -2.67 K(o=-2.7,f=-4.1!) USER MOD Single : A 698 TYR OH : rot 180:sc= 0 USER MOD Single : A 699 TYR OH : rot 180:sc= 0 USER MOD Single : A 701 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 702 HIS : no HD1:sc=-0.00244 X(o=-0.0024,f=-0.014) USER MOD Single : A 703 HIS : no HD1:sc=-0.00242 X(o=-0.0024,f=-0.077) USER MOD Single : A 705 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 707 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 641 121.536 -28.310 18.795 1.00 0.00 N ATOM 2 CA ASN A 641 121.211 -27.982 17.382 1.00 0.00 C ATOM 3 C ASN A 641 121.347 -26.487 17.115 1.00 0.00 C ATOM 4 O ASN A 641 121.823 -26.075 16.057 1.00 0.00 O ATOM 5 CB ASN A 641 119.780 -28.441 17.092 1.00 0.00 C ATOM 6 CG ASN A 641 119.476 -28.489 15.608 1.00 0.00 C ATOM 7 OD1 ASN A 641 120.057 -29.284 14.869 1.00 0.00 O ATOM 8 ND2 ASN A 641 118.562 -27.633 15.163 1.00 0.00 N ATOM 0 HA ASN A 641 121.913 -28.497 16.726 1.00 0.00 H new ATOM 0 HB2 ASN A 641 119.624 -29.430 17.524 1.00 0.00 H new ATOM 0 HB3 ASN A 641 119.079 -27.765 17.582 1.00 0.00 H new ATOM 0 HD21 ASN A 641 118.317 -27.617 14.173 1.00 0.00 H new ATOM 0 HD22 ASN A 641 118.105 -26.992 15.812 1.00 0.00 H new ATOM 15 N ARG A 642 120.927 -25.677 18.083 1.00 0.00 N ATOM 16 CA ARG A 642 121.004 -24.227 17.954 1.00 0.00 C ATOM 17 C ARG A 642 122.282 -23.691 18.587 1.00 0.00 C ATOM 18 O ARG A 642 122.270 -23.205 19.718 1.00 0.00 O ATOM 19 CB ARG A 642 119.783 -23.572 18.603 1.00 0.00 C ATOM 20 CG ARG A 642 118.462 -24.189 18.175 1.00 0.00 C ATOM 21 CD ARG A 642 117.282 -23.333 18.603 1.00 0.00 C ATOM 22 NE ARG A 642 116.760 -22.528 17.502 1.00 0.00 N ATOM 23 CZ ARG A 642 115.980 -21.462 17.669 1.00 0.00 C ATOM 24 NH1 ARG A 642 115.630 -21.071 18.889 1.00 0.00 N1+ ATOM 25 NH2 ARG A 642 115.547 -20.786 16.613 1.00 0.00 N ATOM 0 H ARG A 642 120.530 -26.001 18.965 1.00 0.00 H new ATOM 0 HA ARG A 642 121.018 -23.981 16.892 1.00 0.00 H new ATOM 0 HB2 ARG A 642 119.875 -23.646 19.687 1.00 0.00 H new ATOM 0 HB3 ARG A 642 119.776 -22.511 18.355 1.00 0.00 H new ATOM 0 HG2 ARG A 642 118.450 -24.311 17.092 1.00 0.00 H new ATOM 0 HG3 ARG A 642 118.367 -25.184 18.609 1.00 0.00 H new ATOM 0 HD2 ARG A 642 116.490 -23.975 18.990 1.00 0.00 H new ATOM 0 HD3 ARG A 642 117.587 -22.677 19.418 1.00 0.00 H new ATOM 0 HE ARG A 642 117.007 -22.798 16.550 1.00 0.00 H new ATOM 0 HH11 ARG A 642 115.959 -21.588 19.704 1.00 0.00 H new ATOM 0 HH12 ARG A 642 115.032 -20.254 19.011 1.00 0.00 H new ATOM 0 HH21 ARG A 642 115.812 -21.083 15.674 1.00 0.00 H new ATOM 0 HH22 ARG A 642 114.949 -19.969 16.740 1.00 0.00 H new ATOM 39 N GLN A 643 123.386 -23.782 17.852 1.00 0.00 N ATOM 40 CA GLN A 643 124.674 -23.305 18.342 1.00 0.00 C ATOM 41 C GLN A 643 125.703 -23.267 17.218 1.00 0.00 C ATOM 42 O GLN A 643 126.053 -24.300 16.648 1.00 0.00 O ATOM 43 CB GLN A 643 125.174 -24.202 19.477 1.00 0.00 C ATOM 44 CG GLN A 643 124.709 -23.755 20.854 1.00 0.00 C ATOM 45 CD GLN A 643 125.803 -23.856 21.899 1.00 0.00 C ATOM 46 OE1 GLN A 643 125.855 -24.814 22.669 1.00 0.00 O ATOM 47 NE2 GLN A 643 126.686 -22.865 21.929 1.00 0.00 N ATOM 0 H GLN A 643 123.414 -24.182 16.914 1.00 0.00 H new ATOM 0 HA GLN A 643 124.539 -22.292 18.721 1.00 0.00 H new ATOM 0 HB2 GLN A 643 124.833 -25.222 19.300 1.00 0.00 H new ATOM 0 HB3 GLN A 643 126.264 -24.223 19.459 1.00 0.00 H new ATOM 0 HG2 GLN A 643 124.359 -22.724 20.798 1.00 0.00 H new ATOM 0 HG3 GLN A 643 123.859 -24.364 21.162 1.00 0.00 H new ATOM 0 HE21 GLN A 643 126.605 -22.090 21.271 1.00 0.00 H new ATOM 0 HE22 GLN A 643 127.445 -22.879 22.610 1.00 0.00 H new ATOM 56 N LYS A 644 126.184 -22.068 16.904 1.00 0.00 N ATOM 57 CA LYS A 644 127.173 -21.894 15.846 1.00 0.00 C ATOM 58 C LYS A 644 126.628 -22.378 14.507 1.00 0.00 C ATOM 59 O LYS A 644 126.579 -23.579 14.243 1.00 0.00 O ATOM 60 CB LYS A 644 128.457 -22.651 16.192 1.00 0.00 C ATOM 61 CG LYS A 644 129.636 -22.287 15.304 1.00 0.00 C ATOM 62 CD LYS A 644 130.961 -22.534 16.007 1.00 0.00 C ATOM 63 CE LYS A 644 131.456 -21.283 16.715 1.00 0.00 C ATOM 64 NZ LYS A 644 132.575 -21.581 17.652 1.00 0.00 N1+ ATOM 0 H LYS A 644 125.905 -21.203 17.367 1.00 0.00 H new ATOM 0 HA LYS A 644 127.397 -20.831 15.763 1.00 0.00 H new ATOM 0 HB2 LYS A 644 128.719 -22.449 17.231 1.00 0.00 H new ATOM 0 HB3 LYS A 644 128.270 -23.722 16.113 1.00 0.00 H new ATOM 0 HG2 LYS A 644 129.596 -22.873 14.386 1.00 0.00 H new ATOM 0 HG3 LYS A 644 129.566 -21.238 15.016 1.00 0.00 H new ATOM 0 HD2 LYS A 644 130.846 -23.341 16.730 1.00 0.00 H new ATOM 0 HD3 LYS A 644 131.705 -22.861 15.280 1.00 0.00 H new ATOM 0 HE2 LYS A 644 131.786 -20.554 15.975 1.00 0.00 H new ATOM 0 HE3 LYS A 644 130.633 -20.828 17.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 644 132.884 -20.702 18.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 644 132.253 -22.257 18.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 644 133.371 -21.992 17.123 1.00 0.00 H new ATOM 78 N THR A 645 126.220 -21.434 13.665 1.00 0.00 N ATOM 79 CA THR A 645 125.678 -21.765 12.353 1.00 0.00 C ATOM 80 C THR A 645 126.285 -20.881 11.269 1.00 0.00 C ATOM 81 O THR A 645 125.975 -19.692 11.176 1.00 0.00 O ATOM 82 CB THR A 645 124.146 -21.612 12.324 1.00 0.00 C ATOM 83 OG1 THR A 645 123.754 -20.444 13.056 1.00 0.00 O ATOM 84 CG2 THR A 645 123.469 -22.838 12.917 1.00 0.00 C ATOM 0 H THR A 645 126.255 -20.435 13.868 1.00 0.00 H new ATOM 0 HA THR A 645 125.936 -22.806 12.157 1.00 0.00 H new ATOM 0 HB THR A 645 123.834 -21.510 11.285 1.00 0.00 H new ATOM 0 HG1 THR A 645 124.301 -19.682 12.773 1.00 0.00 H new ATOM 0 HG21 THR A 645 122.387 -22.707 12.886 1.00 0.00 H new ATOM 0 HG22 THR A 645 123.744 -23.721 12.340 1.00 0.00 H new ATOM 0 HG23 THR A 645 123.789 -22.966 13.951 1.00 0.00 H new ATOM 92 N ARG A 646 127.152 -21.468 10.450 1.00 0.00 N ATOM 93 CA ARG A 646 127.802 -20.733 9.371 1.00 0.00 C ATOM 94 C ARG A 646 128.622 -19.568 9.922 1.00 0.00 C ATOM 95 O ARG A 646 128.111 -18.461 10.085 1.00 0.00 O ATOM 96 CB ARG A 646 126.759 -20.214 8.380 1.00 0.00 C ATOM 97 CG ARG A 646 127.207 -20.287 6.930 1.00 0.00 C ATOM 98 CD ARG A 646 126.975 -21.671 6.345 1.00 0.00 C ATOM 99 NE ARG A 646 127.923 -21.979 5.276 1.00 0.00 N ATOM 100 CZ ARG A 646 127.737 -22.943 4.377 1.00 0.00 C ATOM 101 NH1 ARG A 646 126.644 -23.695 4.415 1.00 0.00 N1+ ATOM 102 NH2 ARG A 646 128.649 -23.158 3.439 1.00 0.00 N ATOM 0 H ARG A 646 127.420 -22.450 10.513 1.00 0.00 H new ATOM 0 HA ARG A 646 128.476 -21.416 8.854 1.00 0.00 H new ATOM 0 HB2 ARG A 646 125.841 -20.790 8.497 1.00 0.00 H new ATOM 0 HB3 ARG A 646 126.520 -19.179 8.626 1.00 0.00 H new ATOM 0 HG2 ARG A 646 126.664 -19.547 6.342 1.00 0.00 H new ATOM 0 HG3 ARG A 646 128.265 -20.034 6.862 1.00 0.00 H new ATOM 0 HD2 ARG A 646 127.063 -22.418 7.134 1.00 0.00 H new ATOM 0 HD3 ARG A 646 125.958 -21.735 5.958 1.00 0.00 H new ATOM 0 HE ARG A 646 128.776 -21.423 5.215 1.00 0.00 H new ATOM 0 HH11 ARG A 646 125.940 -23.536 5.136 1.00 0.00 H new ATOM 0 HH12 ARG A 646 126.508 -24.432 3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 646 129.492 -22.585 3.407 1.00 0.00 H new ATOM 0 HH22 ARG A 646 128.507 -23.896 2.750 1.00 0.00 H new ATOM 116 N PRO A 647 129.913 -19.805 10.218 1.00 0.00 N ATOM 117 CA PRO A 647 130.803 -18.769 10.752 1.00 0.00 C ATOM 118 C PRO A 647 130.772 -17.490 9.921 1.00 0.00 C ATOM 119 O PRO A 647 130.106 -17.427 8.888 1.00 0.00 O ATOM 120 CB PRO A 647 132.186 -19.418 10.682 1.00 0.00 C ATOM 121 CG PRO A 647 131.919 -20.881 10.752 1.00 0.00 C ATOM 122 CD PRO A 647 130.605 -21.097 10.054 1.00 0.00 C ATOM 0 HA PRO A 647 130.511 -18.461 11.756 1.00 0.00 H new ATOM 0 HB2 PRO A 647 132.702 -19.153 9.759 1.00 0.00 H new ATOM 0 HB3 PRO A 647 132.819 -19.091 11.506 1.00 0.00 H new ATOM 0 HG2 PRO A 647 132.715 -21.446 10.268 1.00 0.00 H new ATOM 0 HG3 PRO A 647 131.871 -21.220 11.787 1.00 0.00 H new ATOM 0 HD2 PRO A 647 130.745 -21.347 9.002 1.00 0.00 H new ATOM 0 HD3 PRO A 647 130.041 -21.914 10.503 1.00 0.00 H new ATOM 130 N ARG A 648 131.494 -16.474 10.380 1.00 0.00 N ATOM 131 CA ARG A 648 131.549 -15.198 9.679 1.00 0.00 C ATOM 132 C ARG A 648 130.163 -14.572 9.580 1.00 0.00 C ATOM 133 O ARG A 648 129.156 -15.222 9.860 1.00 0.00 O ATOM 134 CB ARG A 648 132.143 -15.386 8.281 1.00 0.00 C ATOM 135 CG ARG A 648 133.205 -14.357 7.927 1.00 0.00 C ATOM 136 CD ARG A 648 133.164 -13.999 6.450 1.00 0.00 C ATOM 137 NE ARG A 648 134.430 -13.435 5.988 1.00 0.00 N ATOM 138 CZ ARG A 648 134.857 -12.215 6.303 1.00 0.00 C ATOM 139 NH1 ARG A 648 134.121 -11.427 7.077 1.00 0.00 N1+ ATOM 140 NH2 ARG A 648 136.022 -11.781 5.843 1.00 0.00 N ATOM 0 H ARG A 648 132.049 -16.510 11.235 1.00 0.00 H new ATOM 0 HA ARG A 648 132.189 -14.525 10.249 1.00 0.00 H new ATOM 0 HB2 ARG A 648 132.578 -16.383 8.211 1.00 0.00 H new ATOM 0 HB3 ARG A 648 131.341 -15.336 7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 648 133.055 -13.458 8.525 1.00 0.00 H new ATOM 0 HG3 ARG A 648 134.190 -14.748 8.180 1.00 0.00 H new ATOM 0 HD2 ARG A 648 132.930 -14.890 5.867 1.00 0.00 H new ATOM 0 HD3 ARG A 648 132.362 -13.283 6.273 1.00 0.00 H new ATOM 0 HE ARG A 648 135.021 -14.011 5.389 1.00 0.00 H new ATOM 0 HH11 ARG A 648 133.224 -11.756 7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 648 134.453 -10.492 7.316 1.00 0.00 H new ATOM 0 HH21 ARG A 648 136.591 -12.382 5.247 1.00 0.00 H new ATOM 0 HH22 ARG A 648 136.349 -10.846 6.085 1.00 0.00 H new ATOM 154 N THR A 649 130.115 -13.305 9.178 1.00 0.00 N ATOM 155 CA THR A 649 128.851 -12.592 9.042 1.00 0.00 C ATOM 156 C THR A 649 128.661 -12.074 7.622 1.00 0.00 C ATOM 157 O THR A 649 129.388 -11.188 7.170 1.00 0.00 O ATOM 158 CB THR A 649 128.764 -11.408 10.024 1.00 0.00 C ATOM 159 OG1 THR A 649 127.509 -10.734 9.870 1.00 0.00 O ATOM 160 CG2 THR A 649 129.903 -10.426 9.792 1.00 0.00 C ATOM 0 H THR A 649 130.938 -12.752 8.941 1.00 0.00 H new ATOM 0 HA THR A 649 128.061 -13.306 9.274 1.00 0.00 H new ATOM 0 HB THR A 649 128.844 -11.800 11.038 1.00 0.00 H new ATOM 0 HG1 THR A 649 127.461 -9.984 10.499 1.00 0.00 H new ATOM 0 HG21 THR A 649 129.820 -9.599 10.497 1.00 0.00 H new ATOM 0 HG22 THR A 649 130.856 -10.933 9.939 1.00 0.00 H new ATOM 0 HG23 THR A 649 129.850 -10.041 8.774 1.00 0.00 H new ATOM 168 N LYS A 650 127.680 -12.631 6.920 1.00 0.00 N ATOM 169 CA LYS A 650 127.393 -12.225 5.549 1.00 0.00 C ATOM 170 C LYS A 650 125.951 -11.748 5.414 1.00 0.00 C ATOM 171 O LYS A 650 125.087 -12.119 6.210 1.00 0.00 O ATOM 172 CB LYS A 650 127.649 -13.386 4.586 1.00 0.00 C ATOM 173 CG LYS A 650 128.080 -12.943 3.198 1.00 0.00 C ATOM 174 CD LYS A 650 126.906 -12.918 2.231 1.00 0.00 C ATOM 175 CE LYS A 650 127.136 -11.929 1.098 1.00 0.00 C ATOM 176 NZ LYS A 650 126.737 -12.494 -0.221 1.00 0.00 N1+ ATOM 0 H LYS A 650 127.070 -13.366 7.278 1.00 0.00 H new ATOM 0 HA LYS A 650 128.057 -11.398 5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 650 128.419 -14.033 5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 650 126.741 -13.984 4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 650 128.528 -11.951 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 650 128.848 -13.618 2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 650 126.752 -13.915 1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 650 125.996 -12.651 2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 650 126.568 -11.019 1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 650 128.189 -11.648 1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 126.909 -11.790 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 127.297 -13.349 -0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 125.726 -12.739 -0.202 1.00 0.00 H new ATOM 190 N ILE A 651 125.698 -10.922 4.405 1.00 0.00 N ATOM 191 CA ILE A 651 124.361 -10.393 4.167 1.00 0.00 C ATOM 192 C ILE A 651 123.430 -11.478 3.632 1.00 0.00 C ATOM 193 O ILE A 651 123.691 -12.076 2.590 1.00 0.00 O ATOM 194 CB ILE A 651 124.390 -9.220 3.169 1.00 0.00 C ATOM 195 CG1 ILE A 651 125.450 -8.197 3.582 1.00 0.00 C ATOM 196 CG2 ILE A 651 123.019 -8.566 3.080 1.00 0.00 C ATOM 197 CD1 ILE A 651 125.548 -7.014 2.643 1.00 0.00 C ATOM 0 H ILE A 651 126.402 -10.604 3.739 1.00 0.00 H new ATOM 0 HA ILE A 651 123.986 -10.035 5.126 1.00 0.00 H new ATOM 0 HB ILE A 651 124.650 -9.606 2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 651 125.223 -7.836 4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 651 126.420 -8.692 3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 651 123.056 -7.739 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 651 122.287 -9.300 2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 651 122.731 -8.190 4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 651 126.319 -6.330 2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 651 125.805 -7.363 1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 651 124.590 -6.495 2.611 1.00 0.00 H new ATOM 209 N SER A 652 122.342 -11.724 4.355 1.00 0.00 N ATOM 210 CA SER A 652 121.372 -12.737 3.955 1.00 0.00 C ATOM 211 C SER A 652 120.532 -12.250 2.779 1.00 0.00 C ATOM 212 O SER A 652 120.565 -11.072 2.426 1.00 0.00 O ATOM 213 CB SER A 652 120.464 -13.097 5.131 1.00 0.00 C ATOM 214 OG SER A 652 120.967 -14.217 5.841 1.00 0.00 O ATOM 0 H SER A 652 122.110 -11.236 5.220 1.00 0.00 H new ATOM 0 HA SER A 652 121.920 -13.626 3.644 1.00 0.00 H new ATOM 0 HB2 SER A 652 120.380 -12.244 5.804 1.00 0.00 H new ATOM 0 HB3 SER A 652 119.460 -13.315 4.766 1.00 0.00 H new ATOM 0 HG SER A 652 120.369 -14.426 6.589 1.00 0.00 H new ATOM 220 N VAL A 653 119.780 -13.166 2.176 1.00 0.00 N ATOM 221 CA VAL A 653 118.929 -12.830 1.039 1.00 0.00 C ATOM 222 C VAL A 653 117.944 -11.722 1.398 1.00 0.00 C ATOM 223 O VAL A 653 117.559 -10.920 0.547 1.00 0.00 O ATOM 224 CB VAL A 653 118.144 -14.058 0.541 1.00 0.00 C ATOM 225 CG1 VAL A 653 117.389 -13.728 -0.738 1.00 0.00 C ATOM 226 CG2 VAL A 653 119.080 -15.241 0.324 1.00 0.00 C ATOM 0 H VAL A 653 119.743 -14.146 2.456 1.00 0.00 H new ATOM 0 HA VAL A 653 119.588 -12.483 0.243 1.00 0.00 H new ATOM 0 HB VAL A 653 117.417 -14.334 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 653 116.841 -14.608 -1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 653 116.689 -12.915 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 653 118.096 -13.424 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 653 118.507 -16.099 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 653 119.833 -14.978 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 653 119.571 -15.494 1.264 1.00 0.00 H new ATOM 236 N GLU A 654 117.542 -11.682 2.663 1.00 0.00 N ATOM 237 CA GLU A 654 116.603 -10.670 3.135 1.00 0.00 C ATOM 238 C GLU A 654 117.174 -9.270 2.940 1.00 0.00 C ATOM 239 O GLU A 654 116.507 -8.387 2.398 1.00 0.00 O ATOM 240 CB GLU A 654 116.273 -10.902 4.613 1.00 0.00 C ATOM 241 CG GLU A 654 114.828 -11.308 4.856 1.00 0.00 C ATOM 242 CD GLU A 654 114.487 -12.650 4.240 1.00 0.00 C ATOM 243 OE1 GLU A 654 115.421 -13.433 3.969 1.00 0.00 O ATOM 244 OE2 GLU A 654 113.286 -12.918 4.026 1.00 0.00 O1- ATOM 0 H GLU A 654 117.851 -12.338 3.380 1.00 0.00 H new ATOM 0 HA GLU A 654 115.687 -10.754 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 654 116.931 -11.677 5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 654 116.485 -9.990 5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 654 114.641 -11.347 5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 654 114.166 -10.545 4.445 1.00 0.00 H new ATOM 251 N ALA A 655 118.412 -9.073 3.383 1.00 0.00 N ATOM 252 CA ALA A 655 119.072 -7.779 3.256 1.00 0.00 C ATOM 253 C ALA A 655 119.513 -7.529 1.819 1.00 0.00 C ATOM 254 O ALA A 655 119.388 -6.418 1.305 1.00 0.00 O ATOM 255 CB ALA A 655 120.264 -7.702 4.198 1.00 0.00 C ATOM 0 H ALA A 655 118.978 -9.793 3.833 1.00 0.00 H new ATOM 0 HA ALA A 655 118.357 -7.003 3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 655 120.748 -6.731 4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 655 119.924 -7.829 5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 655 120.975 -8.490 3.950 1.00 0.00 H new ATOM 261 N LEU A 656 120.030 -8.571 1.175 1.00 0.00 N ATOM 262 CA LEU A 656 120.489 -8.465 -0.206 1.00 0.00 C ATOM 263 C LEU A 656 119.333 -8.109 -1.135 1.00 0.00 C ATOM 264 O LEU A 656 119.488 -7.302 -2.052 1.00 0.00 O ATOM 265 CB LEU A 656 121.133 -9.778 -0.654 1.00 0.00 C ATOM 266 CG LEU A 656 122.104 -9.655 -1.828 1.00 0.00 C ATOM 267 CD1 LEU A 656 123.365 -8.918 -1.403 1.00 0.00 C ATOM 268 CD2 LEU A 656 122.450 -11.029 -2.380 1.00 0.00 C ATOM 0 H LEU A 656 120.142 -9.497 1.587 1.00 0.00 H new ATOM 0 HA LEU A 656 121.232 -7.669 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 656 121.664 -10.212 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 656 120.343 -10.478 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 656 121.619 -9.080 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 656 124.044 -8.840 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 656 123.103 -7.919 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 656 123.853 -9.466 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 656 123.142 -10.922 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 656 122.915 -11.629 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 656 121.541 -11.523 -2.723 1.00 0.00 H new ATOM 280 N GLY A 657 118.177 -8.717 -0.893 1.00 0.00 N ATOM 281 CA GLY A 657 117.012 -8.450 -1.717 1.00 0.00 C ATOM 282 C GLY A 657 116.610 -6.988 -1.694 1.00 0.00 C ATOM 283 O GLY A 657 116.495 -6.352 -2.742 1.00 0.00 O ATOM 0 H GLY A 657 118.025 -9.390 -0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 657 117.220 -8.751 -2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 657 116.177 -9.059 -1.370 1.00 0.00 H new ATOM 287 N ILE A 658 116.394 -6.455 -0.495 1.00 0.00 N ATOM 288 CA ILE A 658 116.002 -5.060 -0.341 1.00 0.00 C ATOM 289 C ILE A 658 117.113 -4.124 -0.804 1.00 0.00 C ATOM 290 O ILE A 658 116.851 -3.023 -1.286 1.00 0.00 O ATOM 291 CB ILE A 658 115.646 -4.733 1.123 1.00 0.00 C ATOM 292 CG1 ILE A 658 114.632 -5.742 1.665 1.00 0.00 C ATOM 293 CG2 ILE A 658 115.101 -3.317 1.235 1.00 0.00 C ATOM 294 CD1 ILE A 658 114.846 -6.092 3.121 1.00 0.00 C ATOM 0 H ILE A 658 116.484 -6.968 0.382 1.00 0.00 H new ATOM 0 HA ILE A 658 115.120 -4.909 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 658 116.554 -4.801 1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 658 113.627 -5.338 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 658 114.685 -6.653 1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 658 114.855 -3.103 2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 658 115.853 -2.609 0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 658 114.204 -3.223 0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 658 114.091 -6.812 3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 658 115.838 -6.526 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 658 114.764 -5.190 3.728 1.00 0.00 H new ATOM 306 N LEU A 659 118.356 -4.569 -0.655 1.00 0.00 N ATOM 307 CA LEU A 659 119.509 -3.773 -1.058 1.00 0.00 C ATOM 308 C LEU A 659 119.468 -3.477 -2.555 1.00 0.00 C ATOM 309 O LEU A 659 119.606 -2.329 -2.975 1.00 0.00 O ATOM 310 CB LEU A 659 120.808 -4.500 -0.700 1.00 0.00 C ATOM 311 CG LEU A 659 121.642 -3.832 0.393 1.00 0.00 C ATOM 312 CD1 LEU A 659 121.951 -2.390 0.023 1.00 0.00 C ATOM 313 CD2 LEU A 659 120.917 -3.897 1.729 1.00 0.00 C ATOM 0 H LEU A 659 118.591 -5.478 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 659 119.474 -2.826 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 659 120.564 -5.513 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 659 121.418 -4.587 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 659 122.585 -4.371 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 659 122.545 -1.931 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 659 122.510 -2.366 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 659 121.019 -1.838 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 659 121.524 -3.417 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 659 119.960 -3.382 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 659 120.747 -4.939 2.000 1.00 0.00 H new ATOM 325 N GLN A 660 119.279 -4.521 -3.354 1.00 0.00 N ATOM 326 CA GLN A 660 119.222 -4.374 -4.805 1.00 0.00 C ATOM 327 C GLN A 660 118.095 -3.431 -5.212 1.00 0.00 C ATOM 328 O GLN A 660 118.220 -2.681 -6.181 1.00 0.00 O ATOM 329 CB GLN A 660 119.029 -5.738 -5.472 1.00 0.00 C ATOM 330 CG GLN A 660 120.282 -6.597 -5.471 1.00 0.00 C ATOM 331 CD GLN A 660 120.216 -7.725 -6.481 1.00 0.00 C ATOM 332 OE1 GLN A 660 119.265 -7.827 -7.256 1.00 0.00 O ATOM 333 NE2 GLN A 660 121.229 -8.584 -6.477 1.00 0.00 N ATOM 0 H GLN A 660 119.163 -5.479 -3.022 1.00 0.00 H new ATOM 0 HA GLN A 660 120.168 -3.947 -5.139 1.00 0.00 H new ATOM 0 HB2 GLN A 660 118.230 -6.274 -4.959 1.00 0.00 H new ATOM 0 HB3 GLN A 660 118.702 -5.587 -6.501 1.00 0.00 H new ATOM 0 HG2 GLN A 660 121.148 -5.971 -5.687 1.00 0.00 H new ATOM 0 HG3 GLN A 660 120.431 -7.014 -4.475 1.00 0.00 H new ATOM 0 HE21 GLN A 660 121.998 -8.463 -5.818 1.00 0.00 H new ATOM 0 HE22 GLN A 660 121.238 -9.365 -7.133 1.00 0.00 H new ATOM 342 N SER A 661 116.995 -3.472 -4.468 1.00 0.00 N ATOM 343 CA SER A 661 115.846 -2.619 -4.754 1.00 0.00 C ATOM 344 C SER A 661 116.245 -1.147 -4.719 1.00 0.00 C ATOM 345 O SER A 661 115.939 -0.388 -5.640 1.00 0.00 O ATOM 346 CB SER A 661 114.727 -2.879 -3.743 1.00 0.00 C ATOM 347 OG SER A 661 114.802 -4.196 -3.226 1.00 0.00 O ATOM 0 H SER A 661 116.874 -4.086 -3.663 1.00 0.00 H new ATOM 0 HA SER A 661 115.485 -2.858 -5.754 1.00 0.00 H new ATOM 0 HB2 SER A 661 114.796 -2.160 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 661 113.759 -2.727 -4.220 1.00 0.00 H new ATOM 0 HG SER A 661 113.993 -4.390 -2.708 1.00 0.00 H new ATOM 353 N PHE A 662 116.932 -0.749 -3.653 1.00 0.00 N ATOM 354 CA PHE A 662 117.376 0.630 -3.501 1.00 0.00 C ATOM 355 C PHE A 662 118.439 0.972 -4.539 1.00 0.00 C ATOM 356 O PHE A 662 118.312 1.950 -5.273 1.00 0.00 O ATOM 357 CB PHE A 662 117.927 0.861 -2.092 1.00 0.00 C ATOM 358 CG PHE A 662 117.995 2.310 -1.704 1.00 0.00 C ATOM 359 CD1 PHE A 662 116.841 3.074 -1.624 1.00 0.00 C ATOM 360 CD2 PHE A 662 119.212 2.909 -1.420 1.00 0.00 C ATOM 361 CE1 PHE A 662 116.901 4.408 -1.266 1.00 0.00 C ATOM 362 CE2 PHE A 662 119.277 4.243 -1.063 1.00 0.00 C ATOM 363 CZ PHE A 662 118.120 4.993 -0.987 1.00 0.00 C ATOM 0 H PHE A 662 117.193 -1.363 -2.882 1.00 0.00 H new ATOM 0 HA PHE A 662 116.517 1.283 -3.656 1.00 0.00 H new ATOM 0 HB2 PHE A 662 117.301 0.330 -1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 662 118.925 0.428 -2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 662 115.885 2.622 -1.844 1.00 0.00 H new ATOM 0 HD2 PHE A 662 120.120 2.327 -1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 662 115.995 4.992 -1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 662 120.232 4.698 -0.844 1.00 0.00 H new ATOM 0 HZ PHE A 662 118.169 6.036 -0.710 1.00 0.00 H new ATOM 373 N ILE A 663 119.489 0.156 -4.594 1.00 0.00 N ATOM 374 CA ILE A 663 120.577 0.368 -5.542 1.00 0.00 C ATOM 375 C ILE A 663 120.048 0.552 -6.962 1.00 0.00 C ATOM 376 O ILE A 663 120.685 1.199 -7.793 1.00 0.00 O ATOM 377 CB ILE A 663 121.579 -0.805 -5.521 1.00 0.00 C ATOM 378 CG1 ILE A 663 122.127 -1.012 -4.107 1.00 0.00 C ATOM 379 CG2 ILE A 663 122.717 -0.555 -6.501 1.00 0.00 C ATOM 380 CD1 ILE A 663 122.501 -2.447 -3.809 1.00 0.00 C ATOM 0 H ILE A 663 119.608 -0.659 -3.992 1.00 0.00 H new ATOM 0 HA ILE A 663 121.091 1.278 -5.233 1.00 0.00 H new ATOM 0 HB ILE A 663 121.056 -1.711 -5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 663 123.005 -0.380 -3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 663 121.380 -0.682 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 663 123.413 -1.393 -6.472 1.00 0.00 H new ATOM 0 HG22 ILE A 663 122.314 -0.453 -7.509 1.00 0.00 H new ATOM 0 HG23 ILE A 663 123.240 0.361 -6.225 1.00 0.00 H new ATOM 0 HD11 ILE A 663 122.882 -2.520 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 663 121.621 -3.082 -3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 663 123.270 -2.775 -4.508 1.00 0.00 H new ATOM 392 N GLN A 664 118.880 -0.022 -7.234 1.00 0.00 N ATOM 393 CA GLN A 664 118.268 0.079 -8.553 1.00 0.00 C ATOM 394 C GLN A 664 117.426 1.347 -8.673 1.00 0.00 C ATOM 395 O GLN A 664 117.153 1.816 -9.779 1.00 0.00 O ATOM 396 CB GLN A 664 117.399 -1.150 -8.828 1.00 0.00 C ATOM 397 CG GLN A 664 118.196 -2.431 -8.999 1.00 0.00 C ATOM 398 CD GLN A 664 118.525 -2.725 -10.450 1.00 0.00 C ATOM 399 OE1 GLN A 664 118.376 -1.866 -11.319 1.00 0.00 O ATOM 400 NE2 GLN A 664 118.972 -3.947 -10.721 1.00 0.00 N ATOM 0 H GLN A 664 118.339 -0.562 -6.558 1.00 0.00 H new ATOM 0 HA GLN A 664 119.068 0.127 -9.292 1.00 0.00 H new ATOM 0 HB2 GLN A 664 116.694 -1.277 -8.007 1.00 0.00 H new ATOM 0 HB3 GLN A 664 116.811 -0.975 -9.729 1.00 0.00 H new ATOM 0 HG2 GLN A 664 119.122 -2.357 -8.428 1.00 0.00 H new ATOM 0 HG3 GLN A 664 117.630 -3.265 -8.583 1.00 0.00 H new ATOM 0 HE21 GLN A 664 119.081 -4.629 -9.970 1.00 0.00 H new ATOM 0 HE22 GLN A 664 119.206 -4.203 -11.680 1.00 0.00 H new ATOM 409 N ASP A 665 117.012 1.896 -7.535 1.00 0.00 N ATOM 410 CA ASP A 665 116.196 3.105 -7.524 1.00 0.00 C ATOM 411 C ASP A 665 117.037 4.337 -7.200 1.00 0.00 C ATOM 412 O ASP A 665 117.380 5.117 -8.090 1.00 0.00 O ATOM 413 CB ASP A 665 115.061 2.969 -6.508 1.00 0.00 C ATOM 414 CG ASP A 665 113.928 2.101 -7.019 1.00 0.00 C ATOM 415 OD1 ASP A 665 114.174 0.912 -7.310 1.00 0.00 O ATOM 416 OD2 ASP A 665 112.792 2.612 -7.130 1.00 0.00 O1- ATOM 0 H ASP A 665 117.228 1.524 -6.610 1.00 0.00 H new ATOM 0 HA ASP A 665 115.774 3.232 -8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 665 115.453 2.543 -5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 665 114.675 3.959 -6.264 1.00 0.00 H new ATOM 421 N VAL A 666 117.360 4.512 -5.923 1.00 0.00 N ATOM 422 CA VAL A 666 118.152 5.656 -5.482 1.00 0.00 C ATOM 423 C VAL A 666 119.506 5.224 -4.927 1.00 0.00 C ATOM 424 O VAL A 666 120.471 5.987 -4.958 1.00 0.00 O ATOM 425 CB VAL A 666 117.408 6.464 -4.403 1.00 0.00 C ATOM 426 CG1 VAL A 666 118.120 7.780 -4.136 1.00 0.00 C ATOM 427 CG2 VAL A 666 115.963 6.702 -4.812 1.00 0.00 C ATOM 0 H VAL A 666 117.086 3.876 -5.174 1.00 0.00 H new ATOM 0 HA VAL A 666 118.312 6.281 -6.361 1.00 0.00 H new ATOM 0 HB VAL A 666 117.406 5.885 -3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 666 117.580 8.337 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 666 119.135 7.581 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 666 118.157 8.367 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 666 115.455 7.275 -4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 666 115.937 7.258 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 666 115.460 5.744 -4.944 1.00 0.00 H new ATOM 437 N GLY A 667 119.567 4.001 -4.410 1.00 0.00 N ATOM 438 CA GLY A 667 120.805 3.490 -3.845 1.00 0.00 C ATOM 439 C GLY A 667 122.007 3.707 -4.744 1.00 0.00 C ATOM 440 O GLY A 667 122.117 3.100 -5.809 1.00 0.00 O ATOM 0 H GLY A 667 118.780 3.353 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 667 120.985 3.974 -2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 667 120.694 2.424 -3.649 1.00 0.00 H new ATOM 444 N LEU A 668 122.916 4.574 -4.308 1.00 0.00 N ATOM 445 CA LEU A 668 124.120 4.870 -5.068 1.00 0.00 C ATOM 446 C LEU A 668 124.944 5.937 -4.356 1.00 0.00 C ATOM 447 O LEU A 668 126.173 5.858 -4.304 1.00 0.00 O ATOM 448 CB LEU A 668 123.760 5.326 -6.486 1.00 0.00 C ATOM 449 CG LEU A 668 124.166 4.358 -7.599 1.00 0.00 C ATOM 450 CD1 LEU A 668 123.809 4.934 -8.962 1.00 0.00 C ATOM 451 CD2 LEU A 668 125.653 4.047 -7.522 1.00 0.00 C ATOM 0 H LEU A 668 122.838 5.084 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 668 124.718 3.962 -5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 668 122.683 5.485 -6.538 1.00 0.00 H new ATOM 0 HB3 LEU A 668 124.233 6.290 -6.673 1.00 0.00 H new ATOM 0 HG LEU A 668 123.615 3.427 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 668 124.105 4.233 -9.742 1.00 0.00 H new ATOM 0 HD12 LEU A 668 122.734 5.104 -9.015 1.00 0.00 H new ATOM 0 HD13 LEU A 668 124.333 5.879 -9.106 1.00 0.00 H new ATOM 0 HD21 LEU A 668 125.922 3.357 -8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 668 126.224 4.969 -7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 668 125.880 3.592 -6.558 1.00 0.00 H new ATOM 463 N TYR A 669 124.259 6.933 -3.802 1.00 0.00 N ATOM 464 CA TYR A 669 124.920 8.018 -3.084 1.00 0.00 C ATOM 465 C TYR A 669 124.066 8.486 -1.906 1.00 0.00 C ATOM 466 O TYR A 669 123.687 9.655 -1.828 1.00 0.00 O ATOM 467 CB TYR A 669 125.196 9.192 -4.027 1.00 0.00 C ATOM 468 CG TYR A 669 126.465 9.035 -4.834 1.00 0.00 C ATOM 469 CD1 TYR A 669 126.556 8.083 -5.840 1.00 0.00 C ATOM 470 CD2 TYR A 669 127.572 9.837 -4.589 1.00 0.00 C ATOM 471 CE1 TYR A 669 127.712 7.935 -6.581 1.00 0.00 C ATOM 472 CE2 TYR A 669 128.732 9.696 -5.325 1.00 0.00 C ATOM 473 CZ TYR A 669 128.798 8.742 -6.320 1.00 0.00 C ATOM 474 OH TYR A 669 129.952 8.597 -7.054 1.00 0.00 O ATOM 0 H TYR A 669 123.243 7.011 -3.837 1.00 0.00 H new ATOM 0 HA TYR A 669 125.868 7.642 -2.699 1.00 0.00 H new ATOM 0 HB2 TYR A 669 124.353 9.305 -4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 669 125.258 10.110 -3.442 1.00 0.00 H new ATOM 0 HD1 TYR A 669 125.708 7.447 -6.047 1.00 0.00 H new ATOM 0 HD2 TYR A 669 127.525 10.583 -3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 669 127.765 7.190 -7.361 1.00 0.00 H new ATOM 0 HE2 TYR A 669 129.583 10.329 -5.123 1.00 0.00 H new ATOM 0 HH TYR A 669 130.620 9.243 -6.744 1.00 0.00 H new ATOM 484 N PRO A 670 123.752 7.575 -0.970 1.00 0.00 N ATOM 485 CA PRO A 670 122.938 7.900 0.207 1.00 0.00 C ATOM 486 C PRO A 670 123.657 8.842 1.166 1.00 0.00 C ATOM 487 O PRO A 670 124.885 8.826 1.264 1.00 0.00 O ATOM 488 CB PRO A 670 122.703 6.539 0.869 1.00 0.00 C ATOM 489 CG PRO A 670 123.834 5.689 0.404 1.00 0.00 C ATOM 490 CD PRO A 670 124.162 6.159 -0.985 1.00 0.00 C ATOM 0 HA PRO A 670 122.019 8.418 -0.066 1.00 0.00 H new ATOM 0 HB2 PRO A 670 122.693 6.624 1.956 1.00 0.00 H new ATOM 0 HB3 PRO A 670 121.743 6.116 0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 670 124.696 5.791 1.064 1.00 0.00 H new ATOM 0 HG3 PRO A 670 123.556 4.635 0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 670 125.224 6.050 -1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 670 123.619 5.591 -1.740 1.00 0.00 H new ATOM 498 N ASP A 671 122.885 9.660 1.875 1.00 0.00 N ATOM 499 CA ASP A 671 123.448 10.608 2.829 1.00 0.00 C ATOM 500 C ASP A 671 123.496 10.006 4.229 1.00 0.00 C ATOM 501 O ASP A 671 123.157 8.839 4.425 1.00 0.00 O ATOM 502 CB ASP A 671 122.625 11.898 2.842 1.00 0.00 C ATOM 503 CG ASP A 671 121.156 11.643 3.118 1.00 0.00 C ATOM 504 OD1 ASP A 671 120.410 11.370 2.154 1.00 0.00 O1- ATOM 505 OD2 ASP A 671 120.751 11.716 4.297 1.00 0.00 O ATOM 0 H ASP A 671 121.868 9.685 1.806 1.00 0.00 H new ATOM 0 HA ASP A 671 124.467 10.839 2.518 1.00 0.00 H new ATOM 0 HB2 ASP A 671 123.023 12.572 3.601 1.00 0.00 H new ATOM 0 HB3 ASP A 671 122.729 12.402 1.881 1.00 0.00 H new ATOM 510 N GLU A 672 123.922 10.809 5.200 1.00 0.00 N ATOM 511 CA GLU A 672 124.015 10.353 6.583 1.00 0.00 C ATOM 512 C GLU A 672 122.666 9.851 7.086 1.00 0.00 C ATOM 513 O GLU A 672 122.600 8.948 7.921 1.00 0.00 O ATOM 514 CB GLU A 672 124.517 11.486 7.482 1.00 0.00 C ATOM 515 CG GLU A 672 126.032 11.546 7.596 1.00 0.00 C ATOM 516 CD GLU A 672 126.621 12.763 6.910 1.00 0.00 C ATOM 517 OE1 GLU A 672 126.410 12.918 5.689 1.00 0.00 O1- ATOM 518 OE2 GLU A 672 127.294 13.563 7.596 1.00 0.00 O ATOM 0 H GLU A 672 124.208 11.777 5.055 1.00 0.00 H new ATOM 0 HA GLU A 672 124.724 9.526 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 672 124.152 12.436 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 672 124.090 11.365 8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 672 126.313 11.556 8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 672 126.461 10.644 7.160 1.00 0.00 H new ATOM 525 N GLU A 673 121.591 10.440 6.573 1.00 0.00 N ATOM 526 CA GLU A 673 120.243 10.052 6.972 1.00 0.00 C ATOM 527 C GLU A 673 119.799 8.794 6.233 1.00 0.00 C ATOM 528 O GLU A 673 119.053 7.976 6.773 1.00 0.00 O ATOM 529 CB GLU A 673 119.260 11.191 6.702 1.00 0.00 C ATOM 530 CG GLU A 673 118.164 11.312 7.751 1.00 0.00 C ATOM 531 CD GLU A 673 116.793 11.525 7.141 1.00 0.00 C ATOM 532 OE1 GLU A 673 116.368 10.679 6.325 1.00 0.00 O ATOM 533 OE2 GLU A 673 116.143 12.536 7.480 1.00 0.00 O1- ATOM 0 H GLU A 673 121.627 11.188 5.880 1.00 0.00 H new ATOM 0 HA GLU A 673 120.254 9.839 8.041 1.00 0.00 H new ATOM 0 HB2 GLU A 673 119.810 12.131 6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 673 118.801 11.040 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 673 118.149 10.409 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 673 118.394 12.143 8.417 1.00 0.00 H new ATOM 540 N ALA A 674 120.261 8.645 4.996 1.00 0.00 N ATOM 541 CA ALA A 674 119.910 7.487 4.184 1.00 0.00 C ATOM 542 C ALA A 674 120.574 6.222 4.718 1.00 0.00 C ATOM 543 O ALA A 674 119.959 5.156 4.757 1.00 0.00 O ATOM 544 CB ALA A 674 120.304 7.721 2.734 1.00 0.00 C ATOM 0 H ALA A 674 120.879 9.312 4.534 1.00 0.00 H new ATOM 0 HA ALA A 674 118.830 7.349 4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 674 120.036 6.848 2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 674 119.779 8.596 2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 674 121.380 7.887 2.671 1.00 0.00 H new ATOM 550 N ILE A 675 121.831 6.347 5.129 1.00 0.00 N ATOM 551 CA ILE A 675 122.576 5.212 5.662 1.00 0.00 C ATOM 552 C ILE A 675 122.073 4.828 7.050 1.00 0.00 C ATOM 553 O ILE A 675 122.127 3.662 7.440 1.00 0.00 O ATOM 554 CB ILE A 675 124.085 5.516 5.741 1.00 0.00 C ATOM 555 CG1 ILE A 675 124.593 6.044 4.396 1.00 0.00 C ATOM 556 CG2 ILE A 675 124.858 4.272 6.152 1.00 0.00 C ATOM 557 CD1 ILE A 675 125.940 6.726 4.486 1.00 0.00 C ATOM 0 H ILE A 675 122.355 7.222 5.103 1.00 0.00 H new ATOM 0 HA ILE A 675 122.417 4.379 4.977 1.00 0.00 H new ATOM 0 HB ILE A 675 124.245 6.285 6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 675 124.661 5.215 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 675 123.865 6.747 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 675 125.922 4.505 6.203 1.00 0.00 H new ATOM 0 HG22 ILE A 675 124.513 3.936 7.130 1.00 0.00 H new ATOM 0 HG23 ILE A 675 124.694 3.483 5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 675 126.238 7.075 3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 675 125.873 7.576 5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 675 126.681 6.020 4.860 1.00 0.00 H new ATOM 569 N GLN A 676 121.584 5.817 7.791 1.00 0.00 N ATOM 570 CA GLN A 676 121.071 5.584 9.136 1.00 0.00 C ATOM 571 C GLN A 676 119.810 4.726 9.099 1.00 0.00 C ATOM 572 O GLN A 676 119.659 3.793 9.887 1.00 0.00 O ATOM 573 CB GLN A 676 120.775 6.914 9.831 1.00 0.00 C ATOM 574 CG GLN A 676 121.988 7.530 10.509 1.00 0.00 C ATOM 575 CD GLN A 676 121.881 7.520 12.021 1.00 0.00 C ATOM 576 OE1 GLN A 676 122.026 6.476 12.658 1.00 0.00 O ATOM 577 NE2 GLN A 676 121.627 8.684 12.604 1.00 0.00 N ATOM 0 H GLN A 676 121.532 6.788 7.483 1.00 0.00 H new ATOM 0 HA GLN A 676 121.836 5.050 9.699 1.00 0.00 H new ATOM 0 HB2 GLN A 676 120.383 7.618 9.097 1.00 0.00 H new ATOM 0 HB3 GLN A 676 119.993 6.760 10.575 1.00 0.00 H new ATOM 0 HG2 GLN A 676 122.883 6.985 10.209 1.00 0.00 H new ATOM 0 HG3 GLN A 676 122.109 8.557 10.164 1.00 0.00 H new ATOM 0 HE21 GLN A 676 121.514 9.524 12.037 1.00 0.00 H new ATOM 0 HE22 GLN A 676 121.545 8.739 13.619 1.00 0.00 H new ATOM 586 N THR A 677 118.908 5.048 8.178 1.00 0.00 N ATOM 587 CA THR A 677 117.661 4.307 8.038 1.00 0.00 C ATOM 588 C THR A 677 117.900 2.942 7.400 1.00 0.00 C ATOM 589 O THR A 677 117.312 1.942 7.811 1.00 0.00 O ATOM 590 CB THR A 677 116.636 5.084 7.190 1.00 0.00 C ATOM 591 OG1 THR A 677 116.501 6.420 7.687 1.00 0.00 O ATOM 592 CG2 THR A 677 115.282 4.392 7.211 1.00 0.00 C ATOM 0 H THR A 677 119.018 5.817 7.517 1.00 0.00 H new ATOM 0 HA THR A 677 117.261 4.171 9.043 1.00 0.00 H new ATOM 0 HB THR A 677 116.996 5.114 6.162 1.00 0.00 H new ATOM 0 HG1 THR A 677 117.291 6.943 7.438 1.00 0.00 H new ATOM 0 HG21 THR A 677 114.574 4.959 6.606 1.00 0.00 H new ATOM 0 HG22 THR A 677 115.382 3.385 6.806 1.00 0.00 H new ATOM 0 HG23 THR A 677 114.918 4.336 8.237 1.00 0.00 H new ATOM 600 N LEU A 678 118.765 2.909 6.392 1.00 0.00 N ATOM 601 CA LEU A 678 119.082 1.667 5.696 1.00 0.00 C ATOM 602 C LEU A 678 119.642 0.627 6.663 1.00 0.00 C ATOM 603 O LEU A 678 119.237 -0.535 6.644 1.00 0.00 O ATOM 604 CB LEU A 678 120.087 1.930 4.572 1.00 0.00 C ATOM 605 CG LEU A 678 119.477 2.058 3.173 1.00 0.00 C ATOM 606 CD1 LEU A 678 118.984 0.706 2.681 1.00 0.00 C ATOM 607 CD2 LEU A 678 118.344 3.074 3.173 1.00 0.00 C ATOM 0 H LEU A 678 119.259 3.728 6.039 1.00 0.00 H new ATOM 0 HA LEU A 678 118.160 1.276 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 678 120.632 2.846 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 678 120.817 1.120 4.561 1.00 0.00 H new ATOM 0 HG LEU A 678 120.251 2.410 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 678 118.554 0.816 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 678 119.819 0.007 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 678 118.225 0.325 3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 678 117.924 3.150 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 678 117.568 2.754 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 678 118.728 4.047 3.481 1.00 0.00 H new ATOM 619 N SER A 679 120.575 1.053 7.510 1.00 0.00 N ATOM 620 CA SER A 679 121.189 0.159 8.482 1.00 0.00 C ATOM 621 C SER A 679 120.147 -0.399 9.446 1.00 0.00 C ATOM 622 O SER A 679 120.051 -1.612 9.638 1.00 0.00 O ATOM 623 CB SER A 679 122.279 0.894 9.265 1.00 0.00 C ATOM 624 OG SER A 679 123.504 0.901 8.552 1.00 0.00 O ATOM 0 H SER A 679 120.921 2.012 7.541 1.00 0.00 H new ATOM 0 HA SER A 679 121.637 -0.673 7.938 1.00 0.00 H new ATOM 0 HB2 SER A 679 121.963 1.919 9.460 1.00 0.00 H new ATOM 0 HB3 SER A 679 122.421 0.414 10.233 1.00 0.00 H new ATOM 0 HG SER A 679 123.918 0.014 8.604 1.00 0.00 H new ATOM 630 N ALA A 680 119.369 0.492 10.051 1.00 0.00 N ATOM 631 CA ALA A 680 118.335 0.088 10.996 1.00 0.00 C ATOM 632 C ALA A 680 117.293 -0.805 10.329 1.00 0.00 C ATOM 633 O ALA A 680 116.699 -1.669 10.973 1.00 0.00 O ATOM 634 CB ALA A 680 117.667 1.314 11.602 1.00 0.00 C ATOM 0 H ALA A 680 119.435 1.499 9.904 1.00 0.00 H new ATOM 0 HA ALA A 680 118.812 -0.487 11.790 1.00 0.00 H new ATOM 0 HB1 ALA A 680 116.897 0.998 12.306 1.00 0.00 H new ATOM 0 HB2 ALA A 680 118.412 1.914 12.125 1.00 0.00 H new ATOM 0 HB3 ALA A 680 117.213 1.910 10.810 1.00 0.00 H new ATOM 640 N GLN A 681 117.078 -0.590 9.035 1.00 0.00 N ATOM 641 CA GLN A 681 116.108 -1.377 8.282 1.00 0.00 C ATOM 642 C GLN A 681 116.603 -2.806 8.078 1.00 0.00 C ATOM 643 O GLN A 681 115.912 -3.766 8.415 1.00 0.00 O ATOM 644 CB GLN A 681 115.830 -0.723 6.927 1.00 0.00 C ATOM 645 CG GLN A 681 114.432 -0.996 6.396 1.00 0.00 C ATOM 646 CD GLN A 681 114.442 -1.599 5.004 1.00 0.00 C ATOM 647 OE1 GLN A 681 114.326 -2.814 4.840 1.00 0.00 O ATOM 648 NE2 GLN A 681 114.581 -0.750 3.993 1.00 0.00 N ATOM 0 H GLN A 681 117.562 0.121 8.487 1.00 0.00 H new ATOM 0 HA GLN A 681 115.183 -1.412 8.858 1.00 0.00 H new ATOM 0 HB2 GLN A 681 115.972 0.354 7.017 1.00 0.00 H new ATOM 0 HB3 GLN A 681 116.561 -1.082 6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 681 113.915 -1.672 7.077 1.00 0.00 H new ATOM 0 HG3 GLN A 681 113.866 -0.065 6.380 1.00 0.00 H new ATOM 0 HE21 GLN A 681 114.674 0.249 4.175 1.00 0.00 H new ATOM 0 HE22 GLN A 681 114.595 -1.097 3.034 1.00 0.00 H new ATOM 657 N LEU A 682 117.803 -2.937 7.522 1.00 0.00 N ATOM 658 CA LEU A 682 118.390 -4.249 7.271 1.00 0.00 C ATOM 659 C LEU A 682 119.149 -4.764 8.495 1.00 0.00 C ATOM 660 O LEU A 682 119.786 -5.816 8.439 1.00 0.00 O ATOM 661 CB LEU A 682 119.331 -4.185 6.067 1.00 0.00 C ATOM 662 CG LEU A 682 118.794 -3.404 4.865 1.00 0.00 C ATOM 663 CD1 LEU A 682 119.884 -2.534 4.261 1.00 0.00 C ATOM 664 CD2 LEU A 682 118.231 -4.356 3.820 1.00 0.00 C ATOM 0 H LEU A 682 118.388 -2.152 7.237 1.00 0.00 H new ATOM 0 HA LEU A 682 117.576 -4.942 7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 682 120.271 -3.733 6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 682 119.558 -5.202 5.748 1.00 0.00 H new ATOM 0 HG LEU A 682 117.989 -2.754 5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 682 119.482 -1.987 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 682 120.242 -1.827 5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 682 120.711 -3.163 3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 682 117.854 -3.784 2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 682 119.017 -5.031 3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 682 117.418 -4.936 4.257 1.00 0.00 H new ATOM 676 N ASP A 683 119.077 -4.023 9.599 1.00 0.00 N ATOM 677 CA ASP A 683 119.760 -4.415 10.828 1.00 0.00 C ATOM 678 C ASP A 683 121.255 -4.602 10.588 1.00 0.00 C ATOM 679 O ASP A 683 121.907 -5.403 11.258 1.00 0.00 O ATOM 680 CB ASP A 683 119.156 -5.708 11.381 1.00 0.00 C ATOM 681 CG ASP A 683 117.642 -5.658 11.444 1.00 0.00 C ATOM 682 OD1 ASP A 683 117.009 -5.480 10.382 1.00 0.00 O1- ATOM 683 OD2 ASP A 683 117.089 -5.795 12.556 1.00 0.00 O ATOM 0 H ASP A 683 118.554 -3.150 9.667 1.00 0.00 H new ATOM 0 HA ASP A 683 119.626 -3.616 11.557 1.00 0.00 H new ATOM 0 HB2 ASP A 683 119.463 -6.546 10.755 1.00 0.00 H new ATOM 0 HB3 ASP A 683 119.553 -5.893 12.379 1.00 0.00 H new ATOM 688 N LEU A 684 121.794 -3.856 9.628 1.00 0.00 N ATOM 689 CA LEU A 684 123.212 -3.939 9.302 1.00 0.00 C ATOM 690 C LEU A 684 123.952 -2.681 9.753 1.00 0.00 C ATOM 691 O LEU A 684 123.406 -1.578 9.698 1.00 0.00 O ATOM 692 CB LEU A 684 123.399 -4.139 7.795 1.00 0.00 C ATOM 693 CG LEU A 684 123.302 -5.590 7.318 1.00 0.00 C ATOM 694 CD1 LEU A 684 123.255 -5.648 5.799 1.00 0.00 C ATOM 695 CD2 LEU A 684 124.471 -6.403 7.851 1.00 0.00 C ATOM 0 H LEU A 684 121.270 -3.188 9.063 1.00 0.00 H new ATOM 0 HA LEU A 684 123.630 -4.795 9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 684 122.648 -3.549 7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 684 124.373 -3.743 7.509 1.00 0.00 H new ATOM 0 HG LEU A 684 122.379 -6.022 7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 684 123.186 -6.687 5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 684 122.385 -5.098 5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 684 124.161 -5.200 5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 684 124.387 -7.432 7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 684 125.406 -5.974 7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 684 124.459 -6.387 8.941 1.00 0.00 H new ATOM 707 N PRO A 685 125.209 -2.827 10.207 1.00 0.00 N ATOM 708 CA PRO A 685 126.019 -1.694 10.667 1.00 0.00 C ATOM 709 C PRO A 685 126.094 -0.578 9.631 1.00 0.00 C ATOM 710 O PRO A 685 125.458 -0.650 8.579 1.00 0.00 O ATOM 711 CB PRO A 685 127.404 -2.310 10.889 1.00 0.00 C ATOM 712 CG PRO A 685 127.143 -3.754 11.136 1.00 0.00 C ATOM 713 CD PRO A 685 125.940 -4.106 10.306 1.00 0.00 C ATOM 0 HA PRO A 685 125.598 -1.229 11.558 1.00 0.00 H new ATOM 0 HB2 PRO A 685 128.045 -2.167 10.019 1.00 0.00 H new ATOM 0 HB3 PRO A 685 127.911 -1.849 11.737 1.00 0.00 H new ATOM 0 HG2 PRO A 685 128.003 -4.360 10.852 1.00 0.00 H new ATOM 0 HG3 PRO A 685 126.956 -3.941 12.193 1.00 0.00 H new ATOM 0 HD2 PRO A 685 126.225 -4.483 9.324 1.00 0.00 H new ATOM 0 HD3 PRO A 685 125.336 -4.879 10.781 1.00 0.00 H new ATOM 721 N LYS A 686 126.876 0.453 9.934 1.00 0.00 N ATOM 722 CA LYS A 686 127.034 1.584 9.027 1.00 0.00 C ATOM 723 C LYS A 686 128.163 1.330 8.033 1.00 0.00 C ATOM 724 O LYS A 686 128.092 1.751 6.878 1.00 0.00 O ATOM 725 CB LYS A 686 127.311 2.865 9.819 1.00 0.00 C ATOM 726 CG LYS A 686 126.074 3.718 10.048 1.00 0.00 C ATOM 727 CD LYS A 686 126.440 5.114 10.526 1.00 0.00 C ATOM 728 CE LYS A 686 126.232 5.264 12.024 1.00 0.00 C ATOM 729 NZ LYS A 686 126.011 6.683 12.416 1.00 0.00 N1+ ATOM 0 H LYS A 686 127.410 0.529 10.800 1.00 0.00 H new ATOM 0 HA LYS A 686 126.105 1.705 8.470 1.00 0.00 H new ATOM 0 HB2 LYS A 686 127.743 2.599 10.784 1.00 0.00 H new ATOM 0 HB3 LYS A 686 128.057 3.456 9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 686 125.502 3.787 9.123 1.00 0.00 H new ATOM 0 HG3 LYS A 686 125.431 3.237 10.785 1.00 0.00 H new ATOM 0 HD2 LYS A 686 127.481 5.322 10.280 1.00 0.00 H new ATOM 0 HD3 LYS A 686 125.834 5.851 9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 686 125.376 4.665 12.333 1.00 0.00 H new ATOM 0 HE3 LYS A 686 127.102 4.873 12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 686 125.873 6.741 13.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 686 126.839 7.251 12.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 686 125.166 7.049 11.933 1.00 0.00 H new ATOM 743 N TYR A 687 129.204 0.640 8.489 1.00 0.00 N ATOM 744 CA TYR A 687 130.347 0.331 7.639 1.00 0.00 C ATOM 745 C TYR A 687 129.940 -0.589 6.492 1.00 0.00 C ATOM 746 O TYR A 687 130.511 -0.530 5.403 1.00 0.00 O ATOM 747 CB TYR A 687 131.460 -0.322 8.462 1.00 0.00 C ATOM 748 CG TYR A 687 131.078 -1.666 9.041 1.00 0.00 C ATOM 749 CD1 TYR A 687 131.013 -2.797 8.238 1.00 0.00 C ATOM 750 CD2 TYR A 687 130.784 -1.803 10.393 1.00 0.00 C ATOM 751 CE1 TYR A 687 130.664 -4.026 8.764 1.00 0.00 C ATOM 752 CE2 TYR A 687 130.436 -3.029 10.925 1.00 0.00 C ATOM 753 CZ TYR A 687 130.378 -4.137 10.108 1.00 0.00 C ATOM 754 OH TYR A 687 130.031 -5.360 10.635 1.00 0.00 O ATOM 0 H TYR A 687 129.279 0.285 9.442 1.00 0.00 H new ATOM 0 HA TYR A 687 130.717 1.265 7.217 1.00 0.00 H new ATOM 0 HB2 TYR A 687 132.341 -0.445 7.832 1.00 0.00 H new ATOM 0 HB3 TYR A 687 131.740 0.348 9.275 1.00 0.00 H new ATOM 0 HD1 TYR A 687 131.239 -2.715 7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 687 130.828 -0.937 11.037 1.00 0.00 H new ATOM 0 HE1 TYR A 687 130.615 -4.896 8.125 1.00 0.00 H new ATOM 0 HE2 TYR A 687 130.210 -3.119 11.977 1.00 0.00 H new ATOM 0 HH TYR A 687 129.862 -5.266 11.596 1.00 0.00 H new ATOM 764 N THR A 688 128.948 -1.438 6.743 1.00 0.00 N ATOM 765 CA THR A 688 128.463 -2.369 5.733 1.00 0.00 C ATOM 766 C THR A 688 127.734 -1.636 4.614 1.00 0.00 C ATOM 767 O THR A 688 127.798 -2.034 3.450 1.00 0.00 O ATOM 768 CB THR A 688 127.518 -3.419 6.344 1.00 0.00 C ATOM 769 OG1 THR A 688 128.130 -4.023 7.490 1.00 0.00 O ATOM 770 CG2 THR A 688 127.171 -4.493 5.324 1.00 0.00 C ATOM 0 H THR A 688 128.464 -1.499 7.639 1.00 0.00 H new ATOM 0 HA THR A 688 129.338 -2.874 5.323 1.00 0.00 H new ATOM 0 HB THR A 688 126.600 -2.916 6.646 1.00 0.00 H new ATOM 0 HG1 THR A 688 129.059 -3.721 7.562 1.00 0.00 H new ATOM 0 HG21 THR A 688 126.502 -5.224 5.778 1.00 0.00 H new ATOM 0 HG22 THR A 688 126.679 -4.035 4.466 1.00 0.00 H new ATOM 0 HG23 THR A 688 128.083 -4.991 4.995 1.00 0.00 H new ATOM 778 N ILE A 689 127.038 -0.562 4.972 1.00 0.00 N ATOM 779 CA ILE A 689 126.295 0.228 3.997 1.00 0.00 C ATOM 780 C ILE A 689 127.236 1.029 3.104 1.00 0.00 C ATOM 781 O ILE A 689 126.921 1.313 1.949 1.00 0.00 O ATOM 782 CB ILE A 689 125.313 1.194 4.687 1.00 0.00 C ATOM 783 CG1 ILE A 689 124.471 0.447 5.723 1.00 0.00 C ATOM 784 CG2 ILE A 689 124.419 1.870 3.658 1.00 0.00 C ATOM 785 CD1 ILE A 689 123.605 -0.640 5.126 1.00 0.00 C ATOM 0 H ILE A 689 126.973 -0.219 5.930 1.00 0.00 H new ATOM 0 HA ILE A 689 125.731 -0.476 3.385 1.00 0.00 H new ATOM 0 HB ILE A 689 125.888 1.965 5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 689 125.133 0.005 6.468 1.00 0.00 H new ATOM 0 HG13 ILE A 689 123.835 1.161 6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 689 123.732 2.549 4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 689 125.034 2.433 2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 689 123.850 1.114 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 689 123.036 -1.128 5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 689 122.918 -0.201 4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 689 124.236 -1.375 4.627 1.00 0.00 H new ATOM 797 N ILE A 690 128.395 1.391 3.646 1.00 0.00 N ATOM 798 CA ILE A 690 129.384 2.159 2.898 1.00 0.00 C ATOM 799 C ILE A 690 130.232 1.252 2.016 1.00 0.00 C ATOM 800 O ILE A 690 130.652 1.643 0.927 1.00 0.00 O ATOM 801 CB ILE A 690 130.310 2.952 3.840 1.00 0.00 C ATOM 802 CG1 ILE A 690 129.486 3.734 4.864 1.00 0.00 C ATOM 803 CG2 ILE A 690 131.201 3.890 3.041 1.00 0.00 C ATOM 804 CD1 ILE A 690 130.279 4.153 6.083 1.00 0.00 C ATOM 0 H ILE A 690 128.672 1.164 4.601 1.00 0.00 H new ATOM 0 HA ILE A 690 128.832 2.858 2.270 1.00 0.00 H new ATOM 0 HB ILE A 690 130.946 2.248 4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 690 129.074 4.622 4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 690 128.641 3.123 5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 690 131.849 4.443 3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 690 131.811 3.310 2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 690 130.582 4.590 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 690 129.632 4.703 6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 690 130.669 3.268 6.585 1.00 0.00 H new ATOM 0 HD13 ILE A 690 131.108 4.791 5.776 1.00 0.00 H new ATOM 816 N LYS A 691 130.482 0.037 2.492 1.00 0.00 N ATOM 817 CA LYS A 691 131.282 -0.929 1.747 1.00 0.00 C ATOM 818 C LYS A 691 130.438 -1.643 0.696 1.00 0.00 C ATOM 819 O LYS A 691 130.920 -1.956 -0.393 1.00 0.00 O ATOM 820 CB LYS A 691 131.903 -1.951 2.700 1.00 0.00 C ATOM 821 CG LYS A 691 133.024 -1.384 3.555 1.00 0.00 C ATOM 822 CD LYS A 691 133.342 -2.292 4.731 1.00 0.00 C ATOM 823 CE LYS A 691 133.905 -3.625 4.268 1.00 0.00 C ATOM 824 NZ LYS A 691 133.559 -4.732 5.202 1.00 0.00 N1+ ATOM 0 H LYS A 691 130.142 -0.303 3.392 1.00 0.00 H new ATOM 0 HA LYS A 691 132.078 -0.386 1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 691 131.125 -2.347 3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 691 132.289 -2.789 2.119 1.00 0.00 H new ATOM 0 HG2 LYS A 691 133.917 -1.252 2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 691 132.740 -0.398 3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 691 134.060 -1.801 5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 691 132.438 -2.461 5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 691 133.520 -3.855 3.275 1.00 0.00 H new ATOM 0 HE3 LYS A 691 134.989 -3.550 4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 133.962 -5.623 4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 133.948 -4.525 6.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 132.525 -4.822 5.266 1.00 0.00 H new ATOM 838 N PHE A 692 129.177 -1.897 1.030 1.00 0.00 N ATOM 839 CA PHE A 692 128.267 -2.577 0.114 1.00 0.00 C ATOM 840 C PHE A 692 127.914 -1.679 -1.067 1.00 0.00 C ATOM 841 O PHE A 692 128.067 -2.070 -2.224 1.00 0.00 O ATOM 842 CB PHE A 692 126.993 -2.998 0.848 1.00 0.00 C ATOM 843 CG PHE A 692 126.165 -3.994 0.089 1.00 0.00 C ATOM 844 CD1 PHE A 692 126.505 -5.338 0.089 1.00 0.00 C ATOM 845 CD2 PHE A 692 125.048 -3.589 -0.623 1.00 0.00 C ATOM 846 CE1 PHE A 692 125.744 -6.259 -0.609 1.00 0.00 C ATOM 847 CE2 PHE A 692 124.284 -4.504 -1.323 1.00 0.00 C ATOM 848 CZ PHE A 692 124.633 -5.841 -1.315 1.00 0.00 C ATOM 0 H PHE A 692 128.762 -1.643 1.926 1.00 0.00 H new ATOM 0 HA PHE A 692 128.770 -3.466 -0.266 1.00 0.00 H new ATOM 0 HB2 PHE A 692 127.264 -3.424 1.814 1.00 0.00 H new ATOM 0 HB3 PHE A 692 126.389 -2.113 1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 692 127.373 -5.670 0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 692 124.770 -2.545 -0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 692 126.018 -7.304 -0.602 1.00 0.00 H new ATOM 0 HE2 PHE A 692 123.416 -4.175 -1.875 1.00 0.00 H new ATOM 0 HZ PHE A 692 124.038 -6.558 -1.860 1.00 0.00 H new ATOM 858 N PHE A 693 127.437 -0.475 -0.768 1.00 0.00 N ATOM 859 CA PHE A 693 127.060 0.478 -1.805 1.00 0.00 C ATOM 860 C PHE A 693 128.246 0.797 -2.710 1.00 0.00 C ATOM 861 O PHE A 693 128.100 0.893 -3.928 1.00 0.00 O ATOM 862 CB PHE A 693 126.524 1.764 -1.173 1.00 0.00 C ATOM 863 CG PHE A 693 125.075 1.683 -0.786 1.00 0.00 C ATOM 864 CD1 PHE A 693 124.657 0.808 0.204 1.00 0.00 C ATOM 865 CD2 PHE A 693 124.133 2.482 -1.411 1.00 0.00 C ATOM 866 CE1 PHE A 693 123.324 0.732 0.562 1.00 0.00 C ATOM 867 CE2 PHE A 693 122.799 2.410 -1.057 1.00 0.00 C ATOM 868 CZ PHE A 693 122.394 1.534 -0.069 1.00 0.00 C ATOM 0 H PHE A 693 127.302 -0.136 0.185 1.00 0.00 H new ATOM 0 HA PHE A 693 126.276 0.025 -2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 693 127.116 1.998 -0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 693 126.659 2.588 -1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 693 125.380 0.179 0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 693 124.444 3.169 -2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 693 123.010 0.046 1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 693 122.074 3.038 -1.553 1.00 0.00 H new ATOM 0 HZ PHE A 693 121.352 1.476 0.209 1.00 0.00 H new ATOM 878 N GLN A 694 129.418 0.960 -2.107 1.00 0.00 N ATOM 879 CA GLN A 694 130.628 1.268 -2.860 1.00 0.00 C ATOM 880 C GLN A 694 131.001 0.115 -3.785 1.00 0.00 C ATOM 881 O GLN A 694 131.455 0.329 -4.909 1.00 0.00 O ATOM 882 CB GLN A 694 131.786 1.566 -1.905 1.00 0.00 C ATOM 883 CG GLN A 694 131.915 3.036 -1.546 1.00 0.00 C ATOM 884 CD GLN A 694 133.319 3.410 -1.112 1.00 0.00 C ATOM 885 OE1 GLN A 694 134.157 2.542 -0.870 1.00 0.00 O ATOM 886 NE2 GLN A 694 133.582 4.707 -1.012 1.00 0.00 N ATOM 0 H GLN A 694 129.556 0.884 -1.099 1.00 0.00 H new ATOM 0 HA GLN A 694 130.432 2.150 -3.469 1.00 0.00 H new ATOM 0 HB2 GLN A 694 131.650 0.988 -0.991 1.00 0.00 H new ATOM 0 HB3 GLN A 694 132.717 1.229 -2.360 1.00 0.00 H new ATOM 0 HG2 GLN A 694 131.631 3.642 -2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 694 131.216 3.273 -0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 694 132.856 5.392 -1.223 1.00 0.00 H new ATOM 0 HE22 GLN A 694 134.510 5.019 -0.725 1.00 0.00 H new ATOM 895 N ASN A 695 130.807 -1.110 -3.305 1.00 0.00 N ATOM 896 CA ASN A 695 131.123 -2.298 -4.089 1.00 0.00 C ATOM 897 C ASN A 695 130.303 -2.336 -5.376 1.00 0.00 C ATOM 898 O ASN A 695 130.744 -2.884 -6.387 1.00 0.00 O ATOM 899 CB ASN A 695 130.862 -3.561 -3.267 1.00 0.00 C ATOM 900 CG ASN A 695 132.096 -4.031 -2.522 1.00 0.00 C ATOM 901 OD1 ASN A 695 133.217 -3.912 -3.017 1.00 0.00 O ATOM 902 ND2 ASN A 695 131.896 -4.568 -1.324 1.00 0.00 N ATOM 0 H ASN A 695 130.432 -1.305 -2.377 1.00 0.00 H new ATOM 0 HA ASN A 695 132.179 -2.257 -4.354 1.00 0.00 H new ATOM 0 HB2 ASN A 695 130.062 -3.367 -2.553 1.00 0.00 H new ATOM 0 HB3 ASN A 695 130.515 -4.356 -3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 695 132.689 -4.901 -0.776 1.00 0.00 H new ATOM 0 HD22 ASN A 695 130.950 -4.647 -0.952 1.00 0.00 H new ATOM 909 N GLN A 696 129.110 -1.752 -5.332 1.00 0.00 N ATOM 910 CA GLN A 696 128.230 -1.721 -6.495 1.00 0.00 C ATOM 911 C GLN A 696 128.920 -1.061 -7.686 1.00 0.00 C ATOM 912 O GLN A 696 128.672 -1.420 -8.836 1.00 0.00 O ATOM 913 CB GLN A 696 126.936 -0.973 -6.162 1.00 0.00 C ATOM 914 CG GLN A 696 126.094 -1.658 -5.100 1.00 0.00 C ATOM 915 CD GLN A 696 125.477 -2.953 -5.591 1.00 0.00 C ATOM 916 OE1 GLN A 696 124.930 -3.015 -6.693 1.00 0.00 O ATOM 917 NE2 GLN A 696 125.563 -3.996 -4.775 1.00 0.00 N ATOM 0 H GLN A 696 128.730 -1.294 -4.504 1.00 0.00 H new ATOM 0 HA GLN A 696 127.990 -2.750 -6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 696 127.184 0.033 -5.824 1.00 0.00 H new ATOM 0 HB3 GLN A 696 126.344 -0.867 -7.071 1.00 0.00 H new ATOM 0 HG2 GLN A 696 126.713 -1.863 -4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 696 125.302 -0.982 -4.777 1.00 0.00 H new ATOM 0 HE21 GLN A 696 126.025 -3.899 -3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 696 125.167 -4.894 -5.052 1.00 0.00 H new ATOM 926 N ARG A 697 129.788 -0.095 -7.399 1.00 0.00 N ATOM 927 CA ARG A 697 130.515 0.613 -8.446 1.00 0.00 C ATOM 928 C ARG A 697 131.615 -0.263 -9.035 1.00 0.00 C ATOM 929 O ARG A 697 131.958 -0.141 -10.210 1.00 0.00 O ATOM 930 CB ARG A 697 131.117 1.906 -7.892 1.00 0.00 C ATOM 931 CG ARG A 697 130.075 2.911 -7.423 1.00 0.00 C ATOM 932 CD ARG A 697 130.165 4.216 -8.198 1.00 0.00 C ATOM 933 NE ARG A 697 131.213 5.091 -7.676 1.00 0.00 N ATOM 934 CZ ARG A 697 131.746 6.100 -8.361 1.00 0.00 C ATOM 935 NH1 ARG A 697 131.334 6.364 -9.596 1.00 0.00 N1+ ATOM 936 NH2 ARG A 697 132.693 6.848 -7.812 1.00 0.00 N ATOM 0 H ARG A 697 130.004 0.214 -6.451 1.00 0.00 H new ATOM 0 HA ARG A 697 129.810 0.859 -9.240 1.00 0.00 H new ATOM 0 HB2 ARG A 697 131.776 1.662 -7.058 1.00 0.00 H new ATOM 0 HB3 ARG A 697 131.735 2.368 -8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 697 129.079 2.485 -7.542 1.00 0.00 H new ATOM 0 HG3 ARG A 697 130.212 3.109 -6.360 1.00 0.00 H new ATOM 0 HD2 ARG A 697 130.362 4.001 -9.248 1.00 0.00 H new ATOM 0 HD3 ARG A 697 129.206 4.732 -8.152 1.00 0.00 H new ATOM 0 HE ARG A 697 131.556 4.918 -6.731 1.00 0.00 H new ATOM 0 HH11 ARG A 697 130.606 5.792 -10.024 1.00 0.00 H new ATOM 0 HH12 ARG A 697 131.746 7.139 -10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 697 133.014 6.650 -6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 697 133.101 7.621 -8.338 1.00 0.00 H new ATOM 950 N TYR A 698 132.166 -1.147 -8.210 1.00 0.00 N ATOM 951 CA TYR A 698 133.230 -2.045 -8.648 1.00 0.00 C ATOM 952 C TYR A 698 132.673 -3.191 -9.488 1.00 0.00 C ATOM 953 O TYR A 698 133.405 -3.830 -10.243 1.00 0.00 O ATOM 954 CB TYR A 698 133.981 -2.605 -7.438 1.00 0.00 C ATOM 955 CG TYR A 698 134.865 -1.588 -6.750 1.00 0.00 C ATOM 956 CD1 TYR A 698 134.316 -0.506 -6.075 1.00 0.00 C ATOM 957 CD2 TYR A 698 136.248 -1.713 -6.776 1.00 0.00 C ATOM 958 CE1 TYR A 698 135.120 0.423 -5.444 1.00 0.00 C ATOM 959 CE2 TYR A 698 137.060 -0.786 -6.147 1.00 0.00 C ATOM 960 CZ TYR A 698 136.490 0.279 -5.483 1.00 0.00 C ATOM 961 OH TYR A 698 137.294 1.203 -4.857 1.00 0.00 O ATOM 0 H TYR A 698 131.894 -1.261 -7.234 1.00 0.00 H new ATOM 0 HA TYR A 698 133.920 -1.471 -9.266 1.00 0.00 H new ATOM 0 HB2 TYR A 698 133.258 -2.991 -6.719 1.00 0.00 H new ATOM 0 HB3 TYR A 698 134.593 -3.448 -7.759 1.00 0.00 H new ATOM 0 HD1 TYR A 698 133.243 -0.389 -6.043 1.00 0.00 H new ATOM 0 HD2 TYR A 698 136.697 -2.547 -7.295 1.00 0.00 H new ATOM 0 HE1 TYR A 698 134.677 1.259 -4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 698 138.134 -0.896 -6.176 1.00 0.00 H new ATOM 0 HH TYR A 698 138.234 0.954 -4.979 1.00 0.00 H new ATOM 971 N TYR A 699 131.374 -3.451 -9.353 1.00 0.00 N ATOM 972 CA TYR A 699 130.730 -4.523 -10.102 1.00 0.00 C ATOM 973 C TYR A 699 130.724 -4.218 -11.597 1.00 0.00 C ATOM 974 O TYR A 699 131.006 -5.091 -12.420 1.00 0.00 O ATOM 975 CB TYR A 699 129.298 -4.731 -9.606 1.00 0.00 C ATOM 976 CG TYR A 699 128.624 -5.950 -10.193 1.00 0.00 C ATOM 977 CD1 TYR A 699 128.252 -5.985 -11.532 1.00 0.00 C ATOM 978 CD2 TYR A 699 128.362 -7.067 -9.410 1.00 0.00 C ATOM 979 CE1 TYR A 699 127.636 -7.097 -12.072 1.00 0.00 C ATOM 980 CE2 TYR A 699 127.747 -8.184 -9.943 1.00 0.00 C ATOM 981 CZ TYR A 699 127.385 -8.194 -11.274 1.00 0.00 C ATOM 982 OH TYR A 699 126.774 -9.303 -11.808 1.00 0.00 O ATOM 0 H TYR A 699 130.750 -2.934 -8.733 1.00 0.00 H new ATOM 0 HA TYR A 699 131.300 -5.438 -9.940 1.00 0.00 H new ATOM 0 HB2 TYR A 699 129.308 -4.820 -8.520 1.00 0.00 H new ATOM 0 HB3 TYR A 699 128.707 -3.848 -9.848 1.00 0.00 H new ATOM 0 HD1 TYR A 699 128.448 -5.129 -12.160 1.00 0.00 H new ATOM 0 HD2 TYR A 699 128.644 -7.063 -8.367 1.00 0.00 H new ATOM 0 HE1 TYR A 699 127.352 -7.108 -13.114 1.00 0.00 H new ATOM 0 HE2 TYR A 699 127.551 -9.045 -9.321 1.00 0.00 H new ATOM 0 HH TYR A 699 126.672 -9.986 -11.113 1.00 0.00 H new ATOM 992 N LEU A 700 130.397 -2.977 -11.943 1.00 0.00 N ATOM 993 CA LEU A 700 130.353 -2.560 -13.340 1.00 0.00 C ATOM 994 C LEU A 700 131.632 -1.825 -13.733 1.00 0.00 C ATOM 995 O LEU A 700 131.583 -0.760 -14.350 1.00 0.00 O ATOM 996 CB LEU A 700 129.136 -1.665 -13.589 1.00 0.00 C ATOM 997 CG LEU A 700 127.783 -2.322 -13.312 1.00 0.00 C ATOM 998 CD1 LEU A 700 127.331 -2.036 -11.889 1.00 0.00 C ATOM 999 CD2 LEU A 700 126.742 -1.839 -14.312 1.00 0.00 C ATOM 0 H LEU A 700 130.159 -2.243 -11.276 1.00 0.00 H new ATOM 0 HA LEU A 700 130.269 -3.455 -13.957 1.00 0.00 H new ATOM 0 HB2 LEU A 700 129.225 -0.775 -12.966 1.00 0.00 H new ATOM 0 HB3 LEU A 700 129.155 -1.331 -14.627 1.00 0.00 H new ATOM 0 HG LEU A 700 127.894 -3.400 -13.425 1.00 0.00 H new ATOM 0 HD11 LEU A 700 126.367 -2.512 -11.711 1.00 0.00 H new ATOM 0 HD12 LEU A 700 128.066 -2.431 -11.187 1.00 0.00 H new ATOM 0 HD13 LEU A 700 127.236 -0.959 -11.747 1.00 0.00 H new ATOM 0 HD21 LEU A 700 125.785 -2.316 -14.100 1.00 0.00 H new ATOM 0 HD22 LEU A 700 126.634 -0.757 -14.231 1.00 0.00 H new ATOM 0 HD23 LEU A 700 127.061 -2.097 -15.322 1.00 0.00 H new ATOM 1011 N LYS A 701 132.775 -2.399 -13.372 1.00 0.00 N ATOM 1012 CA LYS A 701 134.066 -1.801 -13.687 1.00 0.00 C ATOM 1013 C LYS A 701 135.209 -2.692 -13.211 1.00 0.00 C ATOM 1014 O LYS A 701 136.091 -3.057 -13.989 1.00 0.00 O ATOM 1015 CB LYS A 701 134.181 -0.415 -13.047 1.00 0.00 C ATOM 1016 CG LYS A 701 133.860 0.724 -14.001 1.00 0.00 C ATOM 1017 CD LYS A 701 134.828 1.884 -13.834 1.00 0.00 C ATOM 1018 CE LYS A 701 136.176 1.580 -14.468 1.00 0.00 C ATOM 1019 NZ LYS A 701 136.902 2.822 -14.855 1.00 0.00 N1+ ATOM 0 H LYS A 701 132.833 -3.279 -12.860 1.00 0.00 H new ATOM 0 HA LYS A 701 134.136 -1.699 -14.770 1.00 0.00 H new ATOM 0 HB2 LYS A 701 133.508 -0.362 -12.191 1.00 0.00 H new ATOM 0 HB3 LYS A 701 135.193 -0.283 -12.665 1.00 0.00 H new ATOM 0 HG2 LYS A 701 133.900 0.361 -15.028 1.00 0.00 H new ATOM 0 HG3 LYS A 701 132.842 1.071 -13.825 1.00 0.00 H new ATOM 0 HD2 LYS A 701 134.405 2.780 -14.288 1.00 0.00 H new ATOM 0 HD3 LYS A 701 134.963 2.097 -12.774 1.00 0.00 H new ATOM 0 HE2 LYS A 701 136.785 1.007 -13.769 1.00 0.00 H new ATOM 0 HE3 LYS A 701 136.030 0.956 -15.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 701 137.816 2.571 -15.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 701 136.333 3.357 -15.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 701 137.065 3.407 -14.010 1.00 0.00 H new ATOM 1033 N HIS A 702 135.186 -3.039 -11.928 1.00 0.00 N ATOM 1034 CA HIS A 702 136.219 -3.889 -11.347 1.00 0.00 C ATOM 1035 C HIS A 702 135.784 -5.351 -11.349 1.00 0.00 C ATOM 1036 O HIS A 702 134.722 -5.692 -11.868 1.00 0.00 O ATOM 1037 CB HIS A 702 136.532 -3.439 -9.919 1.00 0.00 C ATOM 1038 CG HIS A 702 137.627 -2.420 -9.839 1.00 0.00 C ATOM 1039 ND1 HIS A 702 138.814 -2.640 -9.174 1.00 0.00 N ATOM 1040 CD2 HIS A 702 137.710 -1.167 -10.348 1.00 0.00 C ATOM 1041 CE1 HIS A 702 139.580 -1.567 -9.275 1.00 0.00 C ATOM 1042 NE2 HIS A 702 138.932 -0.660 -9.983 1.00 0.00 N ATOM 0 H HIS A 702 134.463 -2.745 -11.271 1.00 0.00 H new ATOM 0 HA HIS A 702 137.118 -3.796 -11.956 1.00 0.00 H new ATOM 0 HB2 HIS A 702 135.629 -3.026 -9.471 1.00 0.00 H new ATOM 0 HB3 HIS A 702 136.813 -4.309 -9.326 1.00 0.00 H new ATOM 0 HD2 HIS A 702 136.955 -0.661 -10.932 1.00 0.00 H new ATOM 0 HE1 HIS A 702 140.567 -1.452 -8.851 1.00 0.00 H new ATOM 0 HE2 HIS A 702 139.283 0.268 -10.220 1.00 0.00 H new ATOM 1051 N HIS A 703 136.611 -6.210 -10.762 1.00 0.00 N ATOM 1052 CA HIS A 703 136.311 -7.637 -10.695 1.00 0.00 C ATOM 1053 C HIS A 703 136.207 -8.238 -12.094 1.00 0.00 C ATOM 1054 O HIS A 703 136.085 -7.515 -13.082 1.00 0.00 O ATOM 1055 CB HIS A 703 135.008 -7.872 -9.929 1.00 0.00 C ATOM 1056 CG HIS A 703 135.071 -7.448 -8.495 1.00 0.00 C ATOM 1057 ND1 HIS A 703 136.167 -7.682 -7.688 1.00 0.00 N ATOM 1058 CD2 HIS A 703 134.168 -6.805 -7.720 1.00 0.00 C ATOM 1059 CE1 HIS A 703 135.933 -7.200 -6.480 1.00 0.00 C ATOM 1060 NE2 HIS A 703 134.728 -6.662 -6.473 1.00 0.00 N ATOM 0 H HIS A 703 137.494 -5.944 -10.326 1.00 0.00 H new ATOM 0 HA HIS A 703 137.128 -8.129 -10.167 1.00 0.00 H new ATOM 0 HB2 HIS A 703 134.202 -7.330 -10.424 1.00 0.00 H new ATOM 0 HB3 HIS A 703 134.755 -8.931 -9.975 1.00 0.00 H new ATOM 0 HD2 HIS A 703 133.189 -6.467 -8.025 1.00 0.00 H new ATOM 0 HE1 HIS A 703 136.612 -7.240 -5.641 1.00 0.00 H new ATOM 0 HE2 HIS A 703 134.284 -6.213 -5.672 1.00 0.00 H new ATOM 1069 N GLY A 704 136.256 -9.564 -12.168 1.00 0.00 N ATOM 1070 CA GLY A 704 136.164 -10.239 -13.447 1.00 0.00 C ATOM 1071 C GLY A 704 134.816 -10.899 -13.661 1.00 0.00 C ATOM 1072 O GLY A 704 133.978 -10.920 -12.760 1.00 0.00 O ATOM 0 H GLY A 704 136.358 -10.183 -11.364 1.00 0.00 H new ATOM 0 HA2 GLY A 704 136.344 -9.521 -14.247 1.00 0.00 H new ATOM 0 HA3 GLY A 704 136.948 -10.993 -13.513 1.00 0.00 H new ATOM 1076 N LYS A 705 134.606 -11.439 -14.857 1.00 0.00 N ATOM 1077 CA LYS A 705 133.349 -12.103 -15.187 1.00 0.00 C ATOM 1078 C LYS A 705 132.177 -11.136 -15.060 1.00 0.00 C ATOM 1079 O LYS A 705 131.779 -10.769 -13.955 1.00 0.00 O ATOM 1080 CB LYS A 705 133.132 -13.310 -14.275 1.00 0.00 C ATOM 1081 CG LYS A 705 134.004 -14.505 -14.627 1.00 0.00 C ATOM 1082 CD LYS A 705 133.526 -15.189 -15.897 1.00 0.00 C ATOM 1083 CE LYS A 705 133.617 -16.702 -15.784 1.00 0.00 C ATOM 1084 NZ LYS A 705 133.056 -17.383 -16.983 1.00 0.00 N1+ ATOM 0 H LYS A 705 135.290 -11.430 -15.614 1.00 0.00 H new ATOM 0 HA LYS A 705 133.405 -12.445 -16.221 1.00 0.00 H new ATOM 0 HB2 LYS A 705 133.332 -13.016 -13.244 1.00 0.00 H new ATOM 0 HB3 LYS A 705 132.085 -13.608 -14.324 1.00 0.00 H new ATOM 0 HG2 LYS A 705 135.036 -14.178 -14.755 1.00 0.00 H new ATOM 0 HG3 LYS A 705 133.995 -15.218 -13.803 1.00 0.00 H new ATOM 0 HD2 LYS A 705 132.495 -14.900 -16.101 1.00 0.00 H new ATOM 0 HD3 LYS A 705 134.125 -14.850 -16.742 1.00 0.00 H new ATOM 0 HE2 LYS A 705 134.659 -16.994 -15.655 1.00 0.00 H new ATOM 0 HE3 LYS A 705 133.081 -17.033 -14.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 705 133.137 -18.413 -16.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 705 132.055 -17.124 -17.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 705 133.584 -17.088 -17.829 1.00 0.00 H new ATOM 1098 N LEU A 706 131.626 -10.730 -16.199 1.00 0.00 N ATOM 1099 CA LEU A 706 130.498 -9.805 -16.216 1.00 0.00 C ATOM 1100 C LEU A 706 129.253 -10.478 -16.785 1.00 0.00 C ATOM 1101 O LEU A 706 128.358 -10.880 -16.042 1.00 0.00 O ATOM 1102 CB LEU A 706 130.843 -8.561 -17.038 1.00 0.00 C ATOM 1103 CG LEU A 706 131.523 -7.435 -16.254 1.00 0.00 C ATOM 1104 CD1 LEU A 706 132.653 -6.822 -17.067 1.00 0.00 C ATOM 1105 CD2 LEU A 706 130.508 -6.372 -15.861 1.00 0.00 C ATOM 0 H LEU A 706 131.942 -11.027 -17.122 1.00 0.00 H new ATOM 0 HA LEU A 706 130.289 -9.505 -15.189 1.00 0.00 H new ATOM 0 HB2 LEU A 706 131.495 -8.856 -17.860 1.00 0.00 H new ATOM 0 HB3 LEU A 706 129.927 -8.172 -17.482 1.00 0.00 H new ATOM 0 HG LEU A 706 131.948 -7.858 -15.344 1.00 0.00 H new ATOM 0 HD11 LEU A 706 133.123 -6.024 -16.492 1.00 0.00 H new ATOM 0 HD12 LEU A 706 133.393 -7.588 -17.297 1.00 0.00 H new ATOM 0 HD13 LEU A 706 132.253 -6.414 -17.995 1.00 0.00 H new ATOM 0 HD21 LEU A 706 131.008 -5.579 -15.305 1.00 0.00 H new ATOM 0 HD22 LEU A 706 130.053 -5.954 -16.759 1.00 0.00 H new ATOM 0 HD23 LEU A 706 129.734 -6.820 -15.238 1.00 0.00 H new ATOM 1117 N LYS A 707 129.205 -10.596 -18.106 1.00 0.00 N ATOM 1118 CA LYS A 707 128.071 -11.218 -18.777 1.00 0.00 C ATOM 1119 C LYS A 707 128.542 -12.167 -19.875 1.00 0.00 C ATOM 1120 O LYS A 707 129.225 -11.696 -20.810 1.00 0.00 O ATOM 1121 CB LYS A 707 127.153 -10.149 -19.372 1.00 0.00 C ATOM 1122 CG LYS A 707 127.885 -9.121 -20.220 1.00 0.00 C ATOM 1123 CD LYS A 707 127.229 -7.753 -20.126 1.00 0.00 C ATOM 1124 CE LYS A 707 127.951 -6.857 -19.132 1.00 0.00 C ATOM 1125 NZ LYS A 707 127.267 -6.831 -17.810 1.00 0.00 N1+ ATOM 1126 OXT LYS A 707 128.227 -13.372 -19.790 1.00 0.00 O ATOM 0 H LYS A 707 129.939 -10.269 -18.734 1.00 0.00 H new ATOM 0 HA LYS A 707 127.515 -11.793 -18.037 1.00 0.00 H new ATOM 0 HB2 LYS A 707 126.391 -10.635 -19.982 1.00 0.00 H new ATOM 0 HB3 LYS A 707 126.634 -9.636 -18.562 1.00 0.00 H new ATOM 0 HG2 LYS A 707 128.923 -9.051 -19.894 1.00 0.00 H new ATOM 0 HG3 LYS A 707 127.899 -9.449 -21.260 1.00 0.00 H new ATOM 0 HD2 LYS A 707 127.227 -7.281 -21.108 1.00 0.00 H new ATOM 0 HD3 LYS A 707 126.188 -7.867 -19.825 1.00 0.00 H new ATOM 0 HE2 LYS A 707 128.975 -7.208 -19.004 1.00 0.00 H new ATOM 0 HE3 LYS A 707 128.008 -5.844 -19.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 707 127.790 -6.209 -17.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 707 126.298 -6.472 -17.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 707 127.235 -7.793 -17.417 1.00 0.00 H new TER 1140 LYS A 707