USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=12 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= -0.0595 X(o=-0.059,f=0) USER MOD Single : A 643 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 644 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 645 THR OG1 : rot 180:sc= 0 USER MOD Single : A 649 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 650 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 180:sc= 0.0073 USER MOD Single : A 660 GLN : amide:sc= -0.225 K(o=-0.23,f=-2.2!) USER MOD Single : A 661 SER OG : rot 180:sc= 0 USER MOD Single : A 664 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.9!) USER MOD Single : A 669 TYR OH : rot 180:sc= 0 USER MOD Single : A 676 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 677 THR OG1 : rot 73:sc= 0.357 USER MOD Single : A 679 SER OG : rot -26:sc= 0.803 USER MOD Single : A 681 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 686 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 687 TYR OH : rot 180:sc= 0 USER MOD Single : A 688 THR OG1 : rot -5:sc= 1.34 USER MOD Single : A 691 LYS NZ :NH3+ 127:sc= -0.133 (180deg=-0.703) USER MOD Single : A 694 GLN : amide:sc= -0.552 K(o=-0.55,f=-2.3) USER MOD Single : A 695 ASN : amide:sc= -0.0348 K(o=-0.035,f=-1.4!) USER MOD Single : A 696 GLN : amide:sc= -0.537 K(o=-0.54,f=-3.1!) USER MOD Single : A 698 TYR OH : rot 180:sc= 0 USER MOD Single : A 699 TYR OH : rot 180:sc= -1.75 USER MOD Single : A 701 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 702 HIS : no HD1:sc= -3.02 K(o=-3,f=-1.6) USER MOD Single : A 703 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-0.55) 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 641 120.469 -20.635 29.209 1.00 0.00 N ATOM 2 CA ASN A 641 120.057 -19.353 29.838 1.00 0.00 C ATOM 3 C ASN A 641 120.272 -18.180 28.888 1.00 0.00 C ATOM 4 O ASN A 641 120.658 -17.089 29.309 1.00 0.00 O ATOM 5 CB ASN A 641 120.872 -19.154 31.118 1.00 0.00 C ATOM 6 CG ASN A 641 120.169 -19.709 32.341 1.00 0.00 C ATOM 7 OD1 ASN A 641 120.666 -20.627 32.993 1.00 0.00 O ATOM 8 ND2 ASN A 641 119.006 -19.153 32.659 1.00 0.00 N ATOM 0 HA ASN A 641 118.993 -19.394 30.073 1.00 0.00 H new ATOM 0 HB2 ASN A 641 121.842 -19.640 31.008 1.00 0.00 H new ATOM 0 HB3 ASN A 641 121.063 -18.091 31.263 1.00 0.00 H new ATOM 0 HD21 ASN A 641 118.487 -19.485 33.472 1.00 0.00 H new ATOM 0 HD22 ASN A 641 118.631 -18.394 32.090 1.00 0.00 H new ATOM 15 N ARG A 642 120.020 -18.412 27.603 1.00 0.00 N ATOM 16 CA ARG A 642 120.185 -17.375 26.592 1.00 0.00 C ATOM 17 C ARG A 642 121.639 -16.918 26.512 1.00 0.00 C ATOM 18 O ARG A 642 122.370 -16.966 27.501 1.00 0.00 O ATOM 19 CB ARG A 642 119.278 -16.182 26.900 1.00 0.00 C ATOM 20 CG ARG A 642 118.599 -15.602 25.670 1.00 0.00 C ATOM 21 CD ARG A 642 117.527 -16.536 25.131 1.00 0.00 C ATOM 22 NE ARG A 642 116.332 -15.811 24.704 1.00 0.00 N ATOM 23 CZ ARG A 642 115.400 -15.361 25.542 1.00 0.00 C ATOM 24 NH1 ARG A 642 115.520 -15.560 26.849 1.00 0.00 N1+ ATOM 25 NH2 ARG A 642 114.345 -14.712 25.071 1.00 0.00 N ATOM 0 H ARG A 642 119.701 -19.309 27.238 1.00 0.00 H new ATOM 0 HA ARG A 642 119.903 -17.796 25.627 1.00 0.00 H new ATOM 0 HB2 ARG A 642 118.515 -16.491 27.615 1.00 0.00 H new ATOM 0 HB3 ARG A 642 119.868 -15.402 27.381 1.00 0.00 H new ATOM 0 HG2 ARG A 642 118.152 -14.640 25.920 1.00 0.00 H new ATOM 0 HG3 ARG A 642 119.344 -15.416 24.896 1.00 0.00 H new ATOM 0 HD2 ARG A 642 117.928 -17.101 24.289 1.00 0.00 H new ATOM 0 HD3 ARG A 642 117.256 -17.259 25.900 1.00 0.00 H new ATOM 0 HE ARG A 642 116.205 -15.640 23.707 1.00 0.00 H new ATOM 0 HH11 ARG A 642 116.329 -16.060 27.217 1.00 0.00 H new ATOM 0 HH12 ARG A 642 114.803 -15.213 27.486 1.00 0.00 H new ATOM 0 HH21 ARG A 642 114.247 -14.558 24.067 1.00 0.00 H new ATOM 0 HH22 ARG A 642 113.631 -14.367 25.712 1.00 0.00 H new ATOM 39 N GLN A 643 122.050 -16.475 25.329 1.00 0.00 N ATOM 40 CA GLN A 643 123.416 -16.010 25.119 1.00 0.00 C ATOM 41 C GLN A 643 123.601 -14.600 25.673 1.00 0.00 C ATOM 42 O GLN A 643 122.642 -13.962 26.106 1.00 0.00 O ATOM 43 CB GLN A 643 123.764 -16.039 23.628 1.00 0.00 C ATOM 44 CG GLN A 643 124.661 -17.203 23.236 1.00 0.00 C ATOM 45 CD GLN A 643 123.970 -18.186 22.311 1.00 0.00 C ATOM 46 OE1 GLN A 643 122.838 -18.601 22.559 1.00 0.00 O ATOM 47 NE2 GLN A 643 124.653 -18.566 21.236 1.00 0.00 N ATOM 0 H GLN A 643 121.457 -16.428 24.501 1.00 0.00 H new ATOM 0 HA GLN A 643 124.089 -16.681 25.653 1.00 0.00 H new ATOM 0 HB2 GLN A 643 122.842 -16.090 23.049 1.00 0.00 H new ATOM 0 HB3 GLN A 643 124.257 -15.105 23.360 1.00 0.00 H new ATOM 0 HG2 GLN A 643 125.556 -16.818 22.748 1.00 0.00 H new ATOM 0 HG3 GLN A 643 124.987 -17.724 24.136 1.00 0.00 H new ATOM 0 HE21 GLN A 643 125.589 -18.196 21.070 1.00 0.00 H new ATOM 0 HE22 GLN A 643 124.241 -19.227 20.577 1.00 0.00 H new ATOM 56 N LYS A 644 124.840 -14.121 25.653 1.00 0.00 N ATOM 57 CA LYS A 644 125.152 -12.788 26.153 1.00 0.00 C ATOM 58 C LYS A 644 126.236 -12.129 25.307 1.00 0.00 C ATOM 59 O LYS A 644 127.050 -11.357 25.813 1.00 0.00 O ATOM 60 CB LYS A 644 125.601 -12.860 27.613 1.00 0.00 C ATOM 61 CG LYS A 644 125.157 -11.669 28.446 1.00 0.00 C ATOM 62 CD LYS A 644 125.757 -11.710 29.842 1.00 0.00 C ATOM 63 CE LYS A 644 124.829 -11.074 30.865 1.00 0.00 C ATOM 64 NZ LYS A 644 125.544 -10.733 32.126 1.00 0.00 N1+ ATOM 0 H LYS A 644 125.644 -14.636 25.296 1.00 0.00 H new ATOM 0 HA LYS A 644 124.248 -12.182 26.088 1.00 0.00 H new ATOM 0 HB2 LYS A 644 125.208 -13.773 28.061 1.00 0.00 H new ATOM 0 HB3 LYS A 644 126.688 -12.931 27.647 1.00 0.00 H new ATOM 0 HG2 LYS A 644 125.453 -10.745 27.949 1.00 0.00 H new ATOM 0 HG3 LYS A 644 124.069 -11.658 28.517 1.00 0.00 H new ATOM 0 HD2 LYS A 644 125.957 -12.744 30.123 1.00 0.00 H new ATOM 0 HD3 LYS A 644 126.714 -11.189 29.843 1.00 0.00 H new ATOM 0 HE2 LYS A 644 124.387 -10.172 30.443 1.00 0.00 H new ATOM 0 HE3 LYS A 644 124.009 -11.757 31.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 644 124.877 -10.302 32.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 644 125.944 -11.598 32.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 644 126.311 -10.061 31.920 1.00 0.00 H new ATOM 78 N THR A 645 126.241 -12.438 24.014 1.00 0.00 N ATOM 79 CA THR A 645 127.226 -11.877 23.097 1.00 0.00 C ATOM 80 C THR A 645 126.613 -11.605 21.728 1.00 0.00 C ATOM 81 O THR A 645 125.666 -12.278 21.316 1.00 0.00 O ATOM 82 CB THR A 645 128.435 -12.816 22.928 1.00 0.00 C ATOM 83 OG1 THR A 645 127.991 -14.176 22.846 1.00 0.00 O ATOM 84 CG2 THR A 645 129.406 -12.664 24.088 1.00 0.00 C ATOM 0 H THR A 645 125.574 -13.074 23.578 1.00 0.00 H new ATOM 0 HA THR A 645 127.563 -10.937 23.533 1.00 0.00 H new ATOM 0 HB THR A 645 128.951 -12.545 22.006 1.00 0.00 H new ATOM 0 HG1 THR A 645 128.765 -14.767 22.737 1.00 0.00 H new ATOM 0 HG21 THR A 645 130.251 -13.337 23.946 1.00 0.00 H new ATOM 0 HG22 THR A 645 129.765 -11.636 24.130 1.00 0.00 H new ATOM 0 HG23 THR A 645 128.899 -12.910 25.021 1.00 0.00 H new ATOM 92 N ARG A 646 127.157 -10.615 21.030 1.00 0.00 N ATOM 93 CA ARG A 646 126.666 -10.252 19.706 1.00 0.00 C ATOM 94 C ARG A 646 127.506 -10.914 18.613 1.00 0.00 C ATOM 95 O ARG A 646 128.601 -10.450 18.300 1.00 0.00 O ATOM 96 CB ARG A 646 126.685 -8.733 19.533 1.00 0.00 C ATOM 97 CG ARG A 646 125.313 -8.090 19.640 1.00 0.00 C ATOM 98 CD ARG A 646 125.015 -7.641 21.062 1.00 0.00 C ATOM 99 NE ARG A 646 124.120 -8.565 21.752 1.00 0.00 N ATOM 100 CZ ARG A 646 122.806 -8.616 21.549 1.00 0.00 C ATOM 101 NH1 ARG A 646 122.230 -7.799 20.676 1.00 0.00 N1+ ATOM 102 NH2 ARG A 646 122.066 -9.489 22.217 1.00 0.00 N ATOM 0 H ARG A 646 127.939 -10.049 21.359 1.00 0.00 H new ATOM 0 HA ARG A 646 125.640 -10.608 19.614 1.00 0.00 H new ATOM 0 HB2 ARG A 646 127.340 -8.298 20.288 1.00 0.00 H new ATOM 0 HB3 ARG A 646 127.115 -8.492 18.561 1.00 0.00 H new ATOM 0 HG2 ARG A 646 125.259 -7.233 18.968 1.00 0.00 H new ATOM 0 HG3 ARG A 646 124.552 -8.799 19.315 1.00 0.00 H new ATOM 0 HD2 ARG A 646 125.948 -7.557 21.619 1.00 0.00 H new ATOM 0 HD3 ARG A 646 124.566 -6.648 21.042 1.00 0.00 H new ATOM 0 HE ARG A 646 124.526 -9.210 22.430 1.00 0.00 H new ATOM 0 HH11 ARG A 646 122.795 -7.127 20.156 1.00 0.00 H new ATOM 0 HH12 ARG A 646 121.222 -7.843 20.525 1.00 0.00 H new ATOM 0 HH21 ARG A 646 122.504 -10.122 22.887 1.00 0.00 H new ATOM 0 HH22 ARG A 646 121.059 -9.528 22.062 1.00 0.00 H new ATOM 116 N PRO A 647 127.004 -12.010 18.014 1.00 0.00 N ATOM 117 CA PRO A 647 127.723 -12.726 16.954 1.00 0.00 C ATOM 118 C PRO A 647 127.831 -11.905 15.673 1.00 0.00 C ATOM 119 O PRO A 647 127.009 -11.026 15.416 1.00 0.00 O ATOM 120 CB PRO A 647 126.868 -13.974 16.718 1.00 0.00 C ATOM 121 CG PRO A 647 125.504 -13.595 17.179 1.00 0.00 C ATOM 122 CD PRO A 647 125.704 -12.637 18.320 1.00 0.00 C ATOM 0 HA PRO A 647 128.751 -12.948 17.240 1.00 0.00 H new ATOM 0 HB2 PRO A 647 126.865 -14.258 15.666 1.00 0.00 H new ATOM 0 HB3 PRO A 647 127.251 -14.827 17.277 1.00 0.00 H new ATOM 0 HG2 PRO A 647 124.935 -13.130 16.374 1.00 0.00 H new ATOM 0 HG3 PRO A 647 124.943 -14.472 17.500 1.00 0.00 H new ATOM 0 HD2 PRO A 647 124.904 -11.899 18.370 1.00 0.00 H new ATOM 0 HD3 PRO A 647 125.723 -13.153 19.280 1.00 0.00 H new ATOM 130 N ARG A 648 128.852 -12.197 14.874 1.00 0.00 N ATOM 131 CA ARG A 648 129.070 -11.487 13.619 1.00 0.00 C ATOM 132 C ARG A 648 127.871 -11.644 12.688 1.00 0.00 C ATOM 133 O ARG A 648 127.218 -12.688 12.672 1.00 0.00 O ATOM 134 CB ARG A 648 130.337 -11.999 12.931 1.00 0.00 C ATOM 135 CG ARG A 648 131.584 -11.209 13.289 1.00 0.00 C ATOM 136 CD ARG A 648 132.073 -11.543 14.689 1.00 0.00 C ATOM 137 NE ARG A 648 132.778 -10.423 15.306 1.00 0.00 N ATOM 138 CZ ARG A 648 132.168 -9.375 15.858 1.00 0.00 C ATOM 139 NH1 ARG A 648 130.842 -9.301 15.870 1.00 0.00 N1+ ATOM 140 NH2 ARG A 648 132.884 -8.401 16.399 1.00 0.00 N ATOM 0 H ARG A 648 129.542 -12.921 15.074 1.00 0.00 H new ATOM 0 HA ARG A 648 129.193 -10.428 13.847 1.00 0.00 H new ATOM 0 HB2 ARG A 648 130.489 -13.044 13.200 1.00 0.00 H new ATOM 0 HB3 ARG A 648 130.193 -11.965 11.851 1.00 0.00 H new ATOM 0 HG2 ARG A 648 132.372 -11.424 12.567 1.00 0.00 H new ATOM 0 HG3 ARG A 648 131.372 -10.142 13.222 1.00 0.00 H new ATOM 0 HD2 ARG A 648 131.224 -11.824 15.312 1.00 0.00 H new ATOM 0 HD3 ARG A 648 132.735 -12.408 14.645 1.00 0.00 H new ATOM 0 HE ARG A 648 133.798 -10.444 15.315 1.00 0.00 H new ATOM 0 HH11 ARG A 648 130.286 -10.049 15.455 1.00 0.00 H new ATOM 0 HH12 ARG A 648 130.380 -8.497 16.294 1.00 0.00 H new ATOM 0 HH21 ARG A 648 133.903 -8.453 16.393 1.00 0.00 H new ATOM 0 HH22 ARG A 648 132.417 -7.599 16.822 1.00 0.00 H new ATOM 154 N THR A 649 127.589 -10.602 11.914 1.00 0.00 N ATOM 155 CA THR A 649 126.472 -10.624 10.978 1.00 0.00 C ATOM 156 C THR A 649 126.955 -10.473 9.540 1.00 0.00 C ATOM 157 O THR A 649 128.032 -9.932 9.291 1.00 0.00 O ATOM 158 CB THR A 649 125.459 -9.506 11.286 1.00 0.00 C ATOM 159 OG1 THR A 649 124.506 -9.399 10.220 1.00 0.00 O ATOM 160 CG2 THR A 649 126.166 -8.172 11.474 1.00 0.00 C ATOM 0 H THR A 649 128.119 -9.731 11.917 1.00 0.00 H new ATOM 0 HA THR A 649 125.983 -11.591 11.094 1.00 0.00 H new ATOM 0 HB THR A 649 124.942 -9.760 12.211 1.00 0.00 H new ATOM 0 HG1 THR A 649 123.865 -8.687 10.425 1.00 0.00 H new ATOM 0 HG21 THR A 649 125.430 -7.398 11.691 1.00 0.00 H new ATOM 0 HG22 THR A 649 126.869 -8.247 12.304 1.00 0.00 H new ATOM 0 HG23 THR A 649 126.706 -7.915 10.563 1.00 0.00 H new ATOM 168 N LYS A 650 126.152 -10.956 8.597 1.00 0.00 N ATOM 169 CA LYS A 650 126.502 -10.875 7.183 1.00 0.00 C ATOM 170 C LYS A 650 125.300 -10.439 6.350 1.00 0.00 C ATOM 171 O LYS A 650 124.181 -10.350 6.856 1.00 0.00 O ATOM 172 CB LYS A 650 127.017 -12.226 6.686 1.00 0.00 C ATOM 173 CG LYS A 650 125.995 -13.345 6.794 1.00 0.00 C ATOM 174 CD LYS A 650 126.655 -14.675 7.132 1.00 0.00 C ATOM 175 CE LYS A 650 126.627 -15.628 5.947 1.00 0.00 C ATOM 176 NZ LYS A 650 127.855 -15.508 5.110 1.00 0.00 N1+ ATOM 0 H LYS A 650 125.257 -11.407 8.786 1.00 0.00 H new ATOM 0 HA LYS A 650 127.290 -10.130 7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 650 127.326 -12.127 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 650 127.904 -12.499 7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 650 125.262 -13.096 7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 650 125.453 -13.436 5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 650 127.687 -14.503 7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 650 126.143 -15.131 7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 650 126.531 -16.652 6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 650 125.749 -15.422 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 127.798 -16.173 4.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 127.933 -14.537 4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 128.691 -15.730 5.687 1.00 0.00 H new ATOM 190 N ILE A 651 125.539 -10.169 5.072 1.00 0.00 N ATOM 191 CA ILE A 651 124.477 -9.744 4.169 1.00 0.00 C ATOM 192 C ILE A 651 123.878 -10.933 3.428 1.00 0.00 C ATOM 193 O ILE A 651 124.248 -11.217 2.288 1.00 0.00 O ATOM 194 CB ILE A 651 124.990 -8.717 3.140 1.00 0.00 C ATOM 195 CG1 ILE A 651 125.756 -7.595 3.844 1.00 0.00 C ATOM 196 CG2 ILE A 651 123.832 -8.150 2.335 1.00 0.00 C ATOM 197 CD1 ILE A 651 126.702 -6.845 2.931 1.00 0.00 C ATOM 0 H ILE A 651 126.459 -10.237 4.638 1.00 0.00 H new ATOM 0 HA ILE A 651 123.708 -9.277 4.784 1.00 0.00 H new ATOM 0 HB ILE A 651 125.671 -9.222 2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 651 125.042 -6.891 4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 651 126.323 -8.018 4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 651 124.211 -7.427 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 651 123.325 -8.958 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 651 123.128 -7.658 3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 651 127.211 -6.064 3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 651 127.439 -7.537 2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 651 126.138 -6.393 2.115 1.00 0.00 H new ATOM 209 N SER A 652 122.952 -11.628 4.080 1.00 0.00 N ATOM 210 CA SER A 652 122.301 -12.787 3.482 1.00 0.00 C ATOM 211 C SER A 652 121.582 -12.404 2.193 1.00 0.00 C ATOM 212 O SER A 652 121.569 -11.238 1.800 1.00 0.00 O ATOM 213 CB SER A 652 121.309 -13.407 4.468 1.00 0.00 C ATOM 214 OG SER A 652 121.869 -13.493 5.768 1.00 0.00 O ATOM 0 H SER A 652 122.635 -11.408 5.024 1.00 0.00 H new ATOM 0 HA SER A 652 123.071 -13.520 3.242 1.00 0.00 H new ATOM 0 HB2 SER A 652 120.399 -12.807 4.499 1.00 0.00 H new ATOM 0 HB3 SER A 652 121.024 -14.401 4.125 1.00 0.00 H new ATOM 0 HG SER A 652 121.215 -13.891 6.380 1.00 0.00 H new ATOM 220 N VAL A 653 120.982 -13.395 1.539 1.00 0.00 N ATOM 221 CA VAL A 653 120.261 -13.162 0.295 1.00 0.00 C ATOM 222 C VAL A 653 119.101 -12.194 0.504 1.00 0.00 C ATOM 223 O VAL A 653 118.736 -11.443 -0.401 1.00 0.00 O ATOM 224 CB VAL A 653 119.716 -14.478 -0.294 1.00 0.00 C ATOM 225 CG1 VAL A 653 119.099 -14.239 -1.664 1.00 0.00 C ATOM 226 CG2 VAL A 653 120.817 -15.526 -0.373 1.00 0.00 C ATOM 0 H VAL A 653 120.982 -14.366 1.851 1.00 0.00 H new ATOM 0 HA VAL A 653 120.973 -12.726 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 653 118.936 -14.853 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 653 118.721 -15.181 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 653 118.279 -13.527 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 653 119.855 -13.838 -2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 653 120.413 -16.448 -0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 653 121.622 -15.161 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 653 121.206 -15.721 0.626 1.00 0.00 H new ATOM 236 N GLU A 654 118.527 -12.215 1.703 1.00 0.00 N ATOM 237 CA GLU A 654 117.410 -11.338 2.031 1.00 0.00 C ATOM 238 C GLU A 654 117.842 -9.875 2.012 1.00 0.00 C ATOM 239 O GLU A 654 117.125 -9.012 1.506 1.00 0.00 O ATOM 240 CB GLU A 654 116.840 -11.695 3.404 1.00 0.00 C ATOM 241 CG GLU A 654 116.382 -13.141 3.516 1.00 0.00 C ATOM 242 CD GLU A 654 115.486 -13.378 4.717 1.00 0.00 C ATOM 243 OE1 GLU A 654 115.728 -12.753 5.769 1.00 0.00 O1- ATOM 244 OE2 GLU A 654 114.544 -14.189 4.603 1.00 0.00 O ATOM 0 H GLU A 654 118.818 -12.830 2.463 1.00 0.00 H new ATOM 0 HA GLU A 654 116.637 -11.479 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 654 117.598 -11.503 4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 654 115.998 -11.038 3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 654 115.848 -13.420 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 654 117.255 -13.790 3.585 1.00 0.00 H new ATOM 251 N ALA A 655 119.019 -9.604 2.565 1.00 0.00 N ATOM 252 CA ALA A 655 119.547 -8.246 2.611 1.00 0.00 C ATOM 253 C ALA A 655 120.075 -7.817 1.247 1.00 0.00 C ATOM 254 O ALA A 655 120.031 -6.637 0.896 1.00 0.00 O ATOM 255 CB ALA A 655 120.644 -8.142 3.661 1.00 0.00 C ATOM 0 H ALA A 655 119.625 -10.307 2.988 1.00 0.00 H new ATOM 0 HA ALA A 655 118.733 -7.574 2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 655 121.029 -7.123 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 655 120.237 -8.399 4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 655 121.452 -8.830 3.412 1.00 0.00 H new ATOM 261 N LEU A 656 120.574 -8.781 0.480 1.00 0.00 N ATOM 262 CA LEU A 656 121.111 -8.504 -0.846 1.00 0.00 C ATOM 263 C LEU A 656 120.000 -8.088 -1.806 1.00 0.00 C ATOM 264 O LEU A 656 120.225 -7.305 -2.730 1.00 0.00 O ATOM 265 CB LEU A 656 121.839 -9.733 -1.391 1.00 0.00 C ATOM 266 CG LEU A 656 122.451 -9.558 -2.783 1.00 0.00 C ATOM 267 CD1 LEU A 656 123.473 -8.433 -2.779 1.00 0.00 C ATOM 268 CD2 LEU A 656 123.090 -10.859 -3.248 1.00 0.00 C ATOM 0 H LEU A 656 120.617 -9.762 0.755 1.00 0.00 H new ATOM 0 HA LEU A 656 121.819 -7.680 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 656 122.631 -10.006 -0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 656 121.139 -10.568 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 656 121.655 -9.295 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 656 123.897 -8.323 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 656 122.988 -7.502 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 656 124.268 -8.666 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 656 123.521 -10.719 -4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 656 123.875 -11.149 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 656 122.333 -11.642 -3.289 1.00 0.00 H new ATOM 280 N GLY A 657 118.802 -8.618 -1.582 1.00 0.00 N ATOM 281 CA GLY A 657 117.675 -8.288 -2.436 1.00 0.00 C ATOM 282 C GLY A 657 117.111 -6.912 -2.148 1.00 0.00 C ATOM 283 O GLY A 657 116.749 -6.178 -3.068 1.00 0.00 O ATOM 0 H GLY A 657 118.591 -9.269 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 657 117.987 -8.338 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 657 116.891 -9.034 -2.302 1.00 0.00 H new ATOM 287 N ILE A 658 117.035 -6.560 -0.869 1.00 0.00 N ATOM 288 CA ILE A 658 116.513 -5.261 -0.465 1.00 0.00 C ATOM 289 C ILE A 658 117.471 -4.140 -0.850 1.00 0.00 C ATOM 290 O ILE A 658 117.053 -3.096 -1.352 1.00 0.00 O ATOM 291 CB ILE A 658 116.256 -5.205 1.055 1.00 0.00 C ATOM 292 CG1 ILE A 658 115.403 -6.396 1.495 1.00 0.00 C ATOM 293 CG2 ILE A 658 115.580 -3.896 1.433 1.00 0.00 C ATOM 294 CD1 ILE A 658 115.415 -6.629 2.990 1.00 0.00 C ATOM 0 H ILE A 658 117.328 -7.156 -0.095 1.00 0.00 H new ATOM 0 HA ILE A 658 115.568 -5.123 -0.990 1.00 0.00 H new ATOM 0 HB ILE A 658 117.215 -5.257 1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 658 114.375 -6.237 1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 658 115.761 -7.294 0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 658 115.406 -3.874 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 658 116.221 -3.061 1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 658 114.627 -3.814 0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 658 114.789 -7.489 3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 658 116.436 -6.820 3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 658 115.028 -5.746 3.499 1.00 0.00 H new ATOM 306 N LEU A 659 118.760 -4.361 -0.611 1.00 0.00 N ATOM 307 CA LEU A 659 119.779 -3.369 -0.933 1.00 0.00 C ATOM 308 C LEU A 659 119.783 -3.061 -2.428 1.00 0.00 C ATOM 309 O LEU A 659 119.960 -1.913 -2.834 1.00 0.00 O ATOM 310 CB LEU A 659 121.159 -3.865 -0.498 1.00 0.00 C ATOM 311 CG LEU A 659 121.366 -3.962 1.013 1.00 0.00 C ATOM 312 CD1 LEU A 659 122.608 -4.778 1.331 1.00 0.00 C ATOM 313 CD2 LEU A 659 121.465 -2.573 1.626 1.00 0.00 C ATOM 0 H LEU A 659 119.123 -5.219 -0.195 1.00 0.00 H new ATOM 0 HA LEU A 659 119.544 -2.453 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 659 121.329 -4.848 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 659 121.915 -3.197 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 659 120.504 -4.469 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 659 122.739 -4.836 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 659 122.497 -5.783 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 659 123.481 -4.301 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 659 121.612 -2.660 2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 659 122.308 -2.040 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 659 120.545 -2.022 1.429 1.00 0.00 H new ATOM 325 N GLN A 660 119.587 -4.095 -3.240 1.00 0.00 N ATOM 326 CA GLN A 660 119.567 -3.933 -4.690 1.00 0.00 C ATOM 327 C GLN A 660 118.463 -2.972 -5.115 1.00 0.00 C ATOM 328 O GLN A 660 118.670 -2.108 -5.966 1.00 0.00 O ATOM 329 CB GLN A 660 119.372 -5.289 -5.373 1.00 0.00 C ATOM 330 CG GLN A 660 120.674 -6.016 -5.667 1.00 0.00 C ATOM 331 CD GLN A 660 120.696 -6.633 -7.052 1.00 0.00 C ATOM 332 OE1 GLN A 660 119.668 -6.708 -7.727 1.00 0.00 O ATOM 333 NE2 GLN A 660 121.869 -7.082 -7.482 1.00 0.00 N ATOM 0 H GLN A 660 119.440 -5.052 -2.920 1.00 0.00 H new ATOM 0 HA GLN A 660 120.525 -3.514 -4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 660 118.749 -5.919 -4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 660 118.829 -5.141 -6.307 1.00 0.00 H new ATOM 0 HG2 GLN A 660 121.506 -5.318 -5.571 1.00 0.00 H new ATOM 0 HG3 GLN A 660 120.826 -6.797 -4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 660 122.695 -6.999 -6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 660 121.944 -7.510 -8.405 1.00 0.00 H new ATOM 342 N SER A 661 117.285 -3.131 -4.516 1.00 0.00 N ATOM 343 CA SER A 661 116.146 -2.278 -4.832 1.00 0.00 C ATOM 344 C SER A 661 116.466 -0.814 -4.545 1.00 0.00 C ATOM 345 O SER A 661 115.970 0.084 -5.225 1.00 0.00 O ATOM 346 CB SER A 661 114.920 -2.712 -4.028 1.00 0.00 C ATOM 347 OG SER A 661 114.235 -3.772 -4.672 1.00 0.00 O ATOM 0 H SER A 661 117.096 -3.843 -3.810 1.00 0.00 H new ATOM 0 HA SER A 661 115.930 -2.381 -5.895 1.00 0.00 H new ATOM 0 HB2 SER A 661 115.228 -3.027 -3.031 1.00 0.00 H new ATOM 0 HB3 SER A 661 114.247 -1.864 -3.900 1.00 0.00 H new ATOM 0 HG SER A 661 113.456 -4.032 -4.136 1.00 0.00 H new ATOM 353 N PHE A 662 117.297 -0.582 -3.534 1.00 0.00 N ATOM 354 CA PHE A 662 117.683 0.773 -3.157 1.00 0.00 C ATOM 355 C PHE A 662 118.569 1.404 -4.226 1.00 0.00 C ATOM 356 O PHE A 662 118.550 2.619 -4.424 1.00 0.00 O ATOM 357 CB PHE A 662 118.413 0.762 -1.813 1.00 0.00 C ATOM 358 CG PHE A 662 118.525 2.121 -1.180 1.00 0.00 C ATOM 359 CD1 PHE A 662 119.463 3.035 -1.631 1.00 0.00 C ATOM 360 CD2 PHE A 662 117.690 2.481 -0.134 1.00 0.00 C ATOM 361 CE1 PHE A 662 119.568 4.284 -1.051 1.00 0.00 C ATOM 362 CE2 PHE A 662 117.790 3.731 0.450 1.00 0.00 C ATOM 363 CZ PHE A 662 118.729 4.633 -0.009 1.00 0.00 C ATOM 0 H PHE A 662 117.716 -1.315 -2.961 1.00 0.00 H new ATOM 0 HA PHE A 662 116.776 1.370 -3.065 1.00 0.00 H new ATOM 0 HB2 PHE A 662 117.889 0.094 -1.130 1.00 0.00 H new ATOM 0 HB3 PHE A 662 119.413 0.353 -1.955 1.00 0.00 H new ATOM 0 HD1 PHE A 662 120.120 2.768 -2.446 1.00 0.00 H new ATOM 0 HD2 PHE A 662 116.954 1.779 0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 662 120.305 4.987 -1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 662 117.134 4.001 1.264 1.00 0.00 H new ATOM 0 HZ PHE A 662 118.808 5.610 0.445 1.00 0.00 H new ATOM 373 N ILE A 663 119.346 0.571 -4.911 1.00 0.00 N ATOM 374 CA ILE A 663 120.240 1.049 -5.960 1.00 0.00 C ATOM 375 C ILE A 663 119.455 1.475 -7.197 1.00 0.00 C ATOM 376 O ILE A 663 119.665 2.563 -7.733 1.00 0.00 O ATOM 377 CB ILE A 663 121.265 -0.029 -6.361 1.00 0.00 C ATOM 378 CG1 ILE A 663 121.960 -0.590 -5.118 1.00 0.00 C ATOM 379 CG2 ILE A 663 122.286 0.544 -7.332 1.00 0.00 C ATOM 380 CD1 ILE A 663 122.854 -1.777 -5.410 1.00 0.00 C ATOM 0 H ILE A 663 119.375 -0.437 -4.759 1.00 0.00 H new ATOM 0 HA ILE A 663 120.772 1.910 -5.555 1.00 0.00 H new ATOM 0 HB ILE A 663 120.738 -0.843 -6.859 1.00 0.00 H new ATOM 0 HG12 ILE A 663 122.555 0.198 -4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 663 121.204 -0.885 -4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 663 123.003 -0.230 -7.605 1.00 0.00 H new ATOM 0 HG22 ILE A 663 121.777 0.899 -8.228 1.00 0.00 H new ATOM 0 HG23 ILE A 663 122.811 1.374 -6.860 1.00 0.00 H new ATOM 0 HD11 ILE A 663 123.314 -2.123 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 663 122.260 -2.582 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 663 123.632 -1.482 -6.114 1.00 0.00 H new ATOM 392 N GLN A 664 118.551 0.610 -7.645 1.00 0.00 N ATOM 393 CA GLN A 664 117.736 0.897 -8.818 1.00 0.00 C ATOM 394 C GLN A 664 116.749 2.026 -8.534 1.00 0.00 C ATOM 395 O GLN A 664 116.379 2.780 -9.434 1.00 0.00 O ATOM 396 CB GLN A 664 116.978 -0.357 -9.259 1.00 0.00 C ATOM 397 CG GLN A 664 117.887 -1.499 -9.684 1.00 0.00 C ATOM 398 CD GLN A 664 117.204 -2.850 -9.606 1.00 0.00 C ATOM 399 OE1 GLN A 664 116.214 -3.018 -8.893 1.00 0.00 O ATOM 400 NE2 GLN A 664 117.730 -3.822 -10.341 1.00 0.00 N ATOM 0 H GLN A 664 118.365 -0.295 -7.213 1.00 0.00 H new ATOM 0 HA GLN A 664 118.402 1.213 -9.621 1.00 0.00 H new ATOM 0 HB2 GLN A 664 116.343 -0.695 -8.440 1.00 0.00 H new ATOM 0 HB3 GLN A 664 116.319 -0.100 -10.088 1.00 0.00 H new ATOM 0 HG2 GLN A 664 118.227 -1.327 -10.705 1.00 0.00 H new ATOM 0 HG3 GLN A 664 118.774 -1.507 -9.050 1.00 0.00 H new ATOM 0 HE21 GLN A 664 118.551 -3.638 -10.917 1.00 0.00 H new ATOM 0 HE22 GLN A 664 117.313 -4.753 -10.329 1.00 0.00 H new ATOM 409 N ASP A 665 116.327 2.136 -7.279 1.00 0.00 N ATOM 410 CA ASP A 665 115.384 3.174 -6.878 1.00 0.00 C ATOM 411 C ASP A 665 116.095 4.507 -6.668 1.00 0.00 C ATOM 412 O ASP A 665 115.878 5.461 -7.414 1.00 0.00 O ATOM 413 CB ASP A 665 114.658 2.762 -5.596 1.00 0.00 C ATOM 414 CG ASP A 665 113.549 3.730 -5.224 1.00 0.00 C ATOM 415 OD1 ASP A 665 112.618 3.906 -6.037 1.00 0.00 O1- ATOM 416 OD2 ASP A 665 113.612 4.309 -4.120 1.00 0.00 O ATOM 0 H ASP A 665 116.623 1.520 -6.522 1.00 0.00 H new ATOM 0 HA ASP A 665 114.655 3.296 -7.679 1.00 0.00 H new ATOM 0 HB2 ASP A 665 114.238 1.764 -5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 665 115.376 2.704 -4.778 1.00 0.00 H new ATOM 421 N VAL A 666 116.945 4.565 -5.649 1.00 0.00 N ATOM 422 CA VAL A 666 117.688 5.781 -5.341 1.00 0.00 C ATOM 423 C VAL A 666 118.904 5.928 -6.249 1.00 0.00 C ATOM 424 O VAL A 666 118.959 6.828 -7.089 1.00 0.00 O ATOM 425 CB VAL A 666 118.152 5.800 -3.873 1.00 0.00 C ATOM 426 CG1 VAL A 666 118.748 7.154 -3.518 1.00 0.00 C ATOM 427 CG2 VAL A 666 116.998 5.458 -2.943 1.00 0.00 C ATOM 0 H VAL A 666 117.137 3.784 -5.022 1.00 0.00 H new ATOM 0 HA VAL A 666 117.009 6.617 -5.510 1.00 0.00 H new ATOM 0 HB VAL A 666 118.927 5.043 -3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 666 119.070 7.148 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 666 119.604 7.355 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 666 117.997 7.931 -3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 666 117.345 5.476 -1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 666 116.199 6.189 -3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 666 116.621 4.463 -3.181 1.00 0.00 H new ATOM 437 N GLY A 667 119.879 5.039 -6.077 1.00 0.00 N ATOM 438 CA GLY A 667 121.080 5.091 -6.889 1.00 0.00 C ATOM 439 C GLY A 667 122.285 4.503 -6.182 1.00 0.00 C ATOM 440 O GLY A 667 122.143 3.666 -5.291 1.00 0.00 O ATOM 0 H GLY A 667 119.858 4.285 -5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 667 120.909 4.550 -7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 667 121.289 6.127 -7.156 1.00 0.00 H new ATOM 444 N LEU A 668 123.475 4.941 -6.581 1.00 0.00 N ATOM 445 CA LEU A 668 124.710 4.454 -5.980 1.00 0.00 C ATOM 446 C LEU A 668 125.375 5.543 -5.143 1.00 0.00 C ATOM 447 O LEU A 668 126.601 5.611 -5.056 1.00 0.00 O ATOM 448 CB LEU A 668 125.674 3.968 -7.065 1.00 0.00 C ATOM 449 CG LEU A 668 125.522 2.493 -7.452 1.00 0.00 C ATOM 450 CD1 LEU A 668 124.759 2.360 -8.761 1.00 0.00 C ATOM 451 CD2 LEU A 668 126.886 1.827 -7.558 1.00 0.00 C ATOM 0 H LEU A 668 123.609 5.633 -7.318 1.00 0.00 H new ATOM 0 HA LEU A 668 124.461 3.619 -5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 668 125.532 4.579 -7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 668 126.696 4.135 -6.724 1.00 0.00 H new ATOM 0 HG LEU A 668 124.953 1.989 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 668 124.661 1.306 -9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 668 123.768 2.800 -8.651 1.00 0.00 H new ATOM 0 HD13 LEU A 668 125.300 2.879 -9.552 1.00 0.00 H new ATOM 0 HD21 LEU A 668 126.759 0.780 -7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 668 127.480 2.333 -8.319 1.00 0.00 H new ATOM 0 HD23 LEU A 668 127.397 1.890 -6.597 1.00 0.00 H new ATOM 463 N TYR A 669 124.561 6.394 -4.530 1.00 0.00 N ATOM 464 CA TYR A 669 125.072 7.479 -3.701 1.00 0.00 C ATOM 465 C TYR A 669 124.030 7.919 -2.674 1.00 0.00 C ATOM 466 O TYR A 669 123.437 8.990 -2.799 1.00 0.00 O ATOM 467 CB TYR A 669 125.480 8.667 -4.574 1.00 0.00 C ATOM 468 CG TYR A 669 126.528 8.326 -5.610 1.00 0.00 C ATOM 469 CD1 TYR A 669 127.880 8.349 -5.291 1.00 0.00 C ATOM 470 CD2 TYR A 669 126.164 7.980 -6.906 1.00 0.00 C ATOM 471 CE1 TYR A 669 128.841 8.039 -6.235 1.00 0.00 C ATOM 472 CE2 TYR A 669 127.120 7.669 -7.855 1.00 0.00 C ATOM 473 CZ TYR A 669 128.456 7.699 -7.514 1.00 0.00 C ATOM 474 OH TYR A 669 129.410 7.389 -8.456 1.00 0.00 O ATOM 0 H TYR A 669 123.544 6.354 -4.591 1.00 0.00 H new ATOM 0 HA TYR A 669 125.948 7.112 -3.166 1.00 0.00 H new ATOM 0 HB2 TYR A 669 124.596 9.057 -5.078 1.00 0.00 H new ATOM 0 HB3 TYR A 669 125.859 9.464 -3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 669 128.185 8.613 -4.289 1.00 0.00 H new ATOM 0 HD2 TYR A 669 125.119 7.954 -7.176 1.00 0.00 H new ATOM 0 HE1 TYR A 669 129.888 8.063 -5.972 1.00 0.00 H new ATOM 0 HE2 TYR A 669 126.822 7.404 -8.859 1.00 0.00 H new ATOM 0 HH TYR A 669 128.972 7.171 -9.305 1.00 0.00 H new ATOM 484 N PRO A 670 123.795 7.093 -1.640 1.00 0.00 N ATOM 485 CA PRO A 670 122.820 7.401 -0.589 1.00 0.00 C ATOM 486 C PRO A 670 123.307 8.502 0.346 1.00 0.00 C ATOM 487 O PRO A 670 124.501 8.798 0.404 1.00 0.00 O ATOM 488 CB PRO A 670 122.687 6.078 0.167 1.00 0.00 C ATOM 489 CG PRO A 670 123.993 5.395 -0.040 1.00 0.00 C ATOM 490 CD PRO A 670 124.459 5.794 -1.415 1.00 0.00 C ATOM 0 HA PRO A 670 121.880 7.771 -0.998 1.00 0.00 H new ATOM 0 HB2 PRO A 670 122.490 6.245 1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 670 121.861 5.481 -0.221 1.00 0.00 H new ATOM 0 HG2 PRO A 670 124.715 5.696 0.719 1.00 0.00 H new ATOM 0 HG3 PRO A 670 123.883 4.313 0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 670 125.544 5.885 -1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 670 124.169 5.059 -2.166 1.00 0.00 H new ATOM 498 N ASP A 671 122.376 9.104 1.079 1.00 0.00 N ATOM 499 CA ASP A 671 122.712 10.172 2.014 1.00 0.00 C ATOM 500 C ASP A 671 123.005 9.610 3.401 1.00 0.00 C ATOM 501 O ASP A 671 122.744 8.436 3.673 1.00 0.00 O ATOM 502 CB ASP A 671 121.570 11.188 2.093 1.00 0.00 C ATOM 503 CG ASP A 671 122.070 12.618 2.160 1.00 0.00 C ATOM 504 OD1 ASP A 671 122.792 13.038 1.231 1.00 0.00 O ATOM 505 OD2 ASP A 671 121.740 13.316 3.140 1.00 0.00 O1- ATOM 0 H ASP A 671 121.384 8.871 1.044 1.00 0.00 H new ATOM 0 HA ASP A 671 123.609 10.672 1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 671 120.924 11.073 1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 671 120.961 10.978 2.972 1.00 0.00 H new ATOM 510 N GLU A 672 123.546 10.451 4.274 1.00 0.00 N ATOM 511 CA GLU A 672 123.875 10.036 5.634 1.00 0.00 C ATOM 512 C GLU A 672 122.635 9.532 6.366 1.00 0.00 C ATOM 513 O GLU A 672 122.693 8.544 7.098 1.00 0.00 O ATOM 514 CB GLU A 672 124.500 11.199 6.407 1.00 0.00 C ATOM 515 CG GLU A 672 125.996 11.346 6.182 1.00 0.00 C ATOM 516 CD GLU A 672 126.478 12.770 6.376 1.00 0.00 C ATOM 517 OE1 GLU A 672 126.406 13.271 7.518 1.00 0.00 O1- ATOM 518 OE2 GLU A 672 126.927 13.385 5.386 1.00 0.00 O ATOM 0 H GLU A 672 123.767 11.425 4.065 1.00 0.00 H new ATOM 0 HA GLU A 672 124.595 9.220 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 672 124.005 12.125 6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 672 124.313 11.058 7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 672 126.529 10.689 6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 672 126.242 11.018 5.172 1.00 0.00 H new ATOM 525 N GLU A 673 121.516 10.218 6.165 1.00 0.00 N ATOM 526 CA GLU A 673 120.261 9.841 6.806 1.00 0.00 C ATOM 527 C GLU A 673 119.710 8.550 6.208 1.00 0.00 C ATOM 528 O GLU A 673 119.039 7.776 6.891 1.00 0.00 O ATOM 529 CB GLU A 673 119.233 10.964 6.660 1.00 0.00 C ATOM 530 CG GLU A 673 118.376 11.170 7.900 1.00 0.00 C ATOM 531 CD GLU A 673 116.905 11.332 7.572 1.00 0.00 C ATOM 532 OE1 GLU A 673 116.206 10.303 7.459 1.00 0.00 O1- ATOM 533 OE2 GLU A 673 116.451 12.487 7.429 1.00 0.00 O ATOM 0 H GLU A 673 121.452 11.039 5.563 1.00 0.00 H new ATOM 0 HA GLU A 673 120.459 9.674 7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 673 119.753 11.894 6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 673 118.584 10.743 5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 673 118.503 10.320 8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 673 118.724 12.053 8.435 1.00 0.00 H new ATOM 540 N ALA A 674 119.997 8.322 4.931 1.00 0.00 N ATOM 541 CA ALA A 674 119.529 7.126 4.243 1.00 0.00 C ATOM 542 C ALA A 674 120.181 5.871 4.815 1.00 0.00 C ATOM 543 O ALA A 674 119.517 4.857 5.030 1.00 0.00 O ATOM 544 CB ALA A 674 119.807 7.233 2.751 1.00 0.00 C ATOM 0 H ALA A 674 120.552 8.951 4.351 1.00 0.00 H new ATOM 0 HA ALA A 674 118.453 7.047 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 674 119.452 6.333 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 674 119.289 8.102 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 674 120.879 7.341 2.588 1.00 0.00 H new ATOM 550 N ILE A 675 121.486 5.947 5.059 1.00 0.00 N ATOM 551 CA ILE A 675 122.228 4.816 5.605 1.00 0.00 C ATOM 552 C ILE A 675 121.794 4.516 7.037 1.00 0.00 C ATOM 553 O ILE A 675 121.835 3.368 7.480 1.00 0.00 O ATOM 554 CB ILE A 675 123.745 5.074 5.583 1.00 0.00 C ATOM 555 CG1 ILE A 675 124.192 5.509 4.185 1.00 0.00 C ATOM 556 CG2 ILE A 675 124.504 3.830 6.020 1.00 0.00 C ATOM 557 CD1 ILE A 675 125.665 5.838 4.095 1.00 0.00 C ATOM 0 H ILE A 675 122.051 6.779 4.887 1.00 0.00 H new ATOM 0 HA ILE A 675 122.006 3.957 4.972 1.00 0.00 H new ATOM 0 HB ILE A 675 123.968 5.878 6.284 1.00 0.00 H new ATOM 0 HG12 ILE A 675 123.962 4.714 3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 675 123.614 6.383 3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 675 125.575 4.031 5.998 1.00 0.00 H new ATOM 0 HG22 ILE A 675 124.206 3.559 7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 675 124.275 3.007 5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 675 125.909 6.138 3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 675 125.898 6.654 4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 675 126.251 4.960 4.365 1.00 0.00 H new ATOM 569 N GLN A 676 121.378 5.553 7.756 1.00 0.00 N ATOM 570 CA GLN A 676 120.935 5.399 9.136 1.00 0.00 C ATOM 571 C GLN A 676 119.634 4.607 9.204 1.00 0.00 C ATOM 572 O GLN A 676 119.464 3.746 10.068 1.00 0.00 O ATOM 573 CB GLN A 676 120.747 6.769 9.790 1.00 0.00 C ATOM 574 CG GLN A 676 121.993 7.285 10.490 1.00 0.00 C ATOM 575 CD GLN A 676 121.857 8.728 10.936 1.00 0.00 C ATOM 576 OE1 GLN A 676 120.775 9.170 11.323 1.00 0.00 O ATOM 577 NE2 GLN A 676 122.956 9.471 10.881 1.00 0.00 N ATOM 0 H GLN A 676 121.338 6.510 7.405 1.00 0.00 H new ATOM 0 HA GLN A 676 121.703 4.848 9.679 1.00 0.00 H new ATOM 0 HB2 GLN A 676 120.445 7.488 9.028 1.00 0.00 H new ATOM 0 HB3 GLN A 676 119.933 6.709 10.513 1.00 0.00 H new ATOM 0 HG2 GLN A 676 122.203 6.659 11.357 1.00 0.00 H new ATOM 0 HG3 GLN A 676 122.846 7.195 9.818 1.00 0.00 H new ATOM 0 HE21 GLN A 676 123.832 9.063 10.554 1.00 0.00 H new ATOM 0 HE22 GLN A 676 122.925 10.450 11.166 1.00 0.00 H new ATOM 586 N THR A 677 118.720 4.904 8.288 1.00 0.00 N ATOM 587 CA THR A 677 117.432 4.222 8.242 1.00 0.00 C ATOM 588 C THR A 677 117.590 2.782 7.767 1.00 0.00 C ATOM 589 O THR A 677 116.855 1.893 8.196 1.00 0.00 O ATOM 590 CB THR A 677 116.443 4.951 7.314 1.00 0.00 C ATOM 591 OG1 THR A 677 116.441 6.354 7.604 1.00 0.00 O ATOM 592 CG2 THR A 677 115.036 4.393 7.476 1.00 0.00 C ATOM 0 H THR A 677 118.847 5.613 7.566 1.00 0.00 H new ATOM 0 HA THR A 677 117.036 4.226 9.257 1.00 0.00 H new ATOM 0 HB THR A 677 116.763 4.794 6.284 1.00 0.00 H new ATOM 0 HG1 THR A 677 117.273 6.756 7.279 1.00 0.00 H new ATOM 0 HG21 THR A 677 114.355 4.924 6.810 1.00 0.00 H new ATOM 0 HG22 THR A 677 115.034 3.332 7.226 1.00 0.00 H new ATOM 0 HG23 THR A 677 114.710 4.523 8.508 1.00 0.00 H new ATOM 600 N LEU A 678 118.551 2.558 6.878 1.00 0.00 N ATOM 601 CA LEU A 678 118.804 1.225 6.344 1.00 0.00 C ATOM 602 C LEU A 678 119.373 0.306 7.420 1.00 0.00 C ATOM 603 O LEU A 678 119.021 -0.871 7.494 1.00 0.00 O ATOM 604 CB LEU A 678 119.768 1.302 5.158 1.00 0.00 C ATOM 605 CG LEU A 678 119.097 1.414 3.786 1.00 0.00 C ATOM 606 CD1 LEU A 678 119.278 2.812 3.212 1.00 0.00 C ATOM 607 CD2 LEU A 678 119.657 0.369 2.830 1.00 0.00 C ATOM 0 H LEU A 678 119.168 3.283 6.512 1.00 0.00 H new ATOM 0 HA LEU A 678 117.855 0.811 6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 678 120.423 2.162 5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 678 120.401 0.415 5.165 1.00 0.00 H new ATOM 0 HG LEU A 678 118.030 1.230 3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 678 118.794 2.871 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 678 118.829 3.543 3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 678 120.341 3.026 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 678 119.168 0.464 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 678 120.730 0.521 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 678 119.474 -0.627 3.232 1.00 0.00 H new ATOM 619 N SER A 679 120.254 0.853 8.253 1.00 0.00 N ATOM 620 CA SER A 679 120.872 0.081 9.325 1.00 0.00 C ATOM 621 C SER A 679 119.848 -0.284 10.395 1.00 0.00 C ATOM 622 O SER A 679 119.856 -1.397 10.921 1.00 0.00 O ATOM 623 CB SER A 679 122.021 0.874 9.954 1.00 0.00 C ATOM 624 OG SER A 679 121.556 2.087 10.517 1.00 0.00 O ATOM 0 H SER A 679 120.555 1.826 8.206 1.00 0.00 H new ATOM 0 HA SER A 679 121.265 -0.840 8.895 1.00 0.00 H new ATOM 0 HB2 SER A 679 122.502 0.273 10.725 1.00 0.00 H new ATOM 0 HB3 SER A 679 122.777 1.087 9.198 1.00 0.00 H new ATOM 0 HG SER A 679 120.740 2.371 10.054 1.00 0.00 H new ATOM 630 N ALA A 680 118.967 0.659 10.711 1.00 0.00 N ATOM 631 CA ALA A 680 117.935 0.435 11.718 1.00 0.00 C ATOM 632 C ALA A 680 116.863 -0.519 11.204 1.00 0.00 C ATOM 633 O ALA A 680 116.304 -1.308 11.965 1.00 0.00 O ATOM 634 CB ALA A 680 117.312 1.757 12.137 1.00 0.00 C ATOM 0 H ALA A 680 118.946 1.585 10.285 1.00 0.00 H new ATOM 0 HA ALA A 680 118.405 -0.025 12.588 1.00 0.00 H new ATOM 0 HB1 ALA A 680 116.544 1.575 12.889 1.00 0.00 H new ATOM 0 HB2 ALA A 680 118.082 2.406 12.555 1.00 0.00 H new ATOM 0 HB3 ALA A 680 116.863 2.239 11.269 1.00 0.00 H new ATOM 640 N GLN A 681 116.580 -0.440 9.908 1.00 0.00 N ATOM 641 CA GLN A 681 115.573 -1.297 9.292 1.00 0.00 C ATOM 642 C GLN A 681 116.121 -2.702 9.063 1.00 0.00 C ATOM 643 O GLN A 681 115.608 -3.676 9.615 1.00 0.00 O ATOM 644 CB GLN A 681 115.106 -0.696 7.964 1.00 0.00 C ATOM 645 CG GLN A 681 113.694 -1.103 7.576 1.00 0.00 C ATOM 646 CD GLN A 681 113.667 -2.128 6.460 1.00 0.00 C ATOM 647 OE1 GLN A 681 113.503 -3.323 6.703 1.00 0.00 O ATOM 648 NE2 GLN A 681 113.828 -1.664 5.225 1.00 0.00 N ATOM 0 H GLN A 681 117.033 0.208 9.264 1.00 0.00 H new ATOM 0 HA GLN A 681 114.723 -1.364 9.972 1.00 0.00 H new ATOM 0 HB2 GLN A 681 115.157 0.391 8.029 1.00 0.00 H new ATOM 0 HB3 GLN A 681 115.793 -1.001 7.175 1.00 0.00 H new ATOM 0 HG2 GLN A 681 113.184 -1.509 8.450 1.00 0.00 H new ATOM 0 HG3 GLN A 681 113.138 -0.219 7.265 1.00 0.00 H new ATOM 0 HE21 GLN A 681 113.961 -0.665 5.069 1.00 0.00 H new ATOM 0 HE22 GLN A 681 113.818 -2.307 4.433 1.00 0.00 H new ATOM 657 N LEU A 682 117.164 -2.800 8.247 1.00 0.00 N ATOM 658 CA LEU A 682 117.784 -4.085 7.946 1.00 0.00 C ATOM 659 C LEU A 682 118.522 -4.645 9.161 1.00 0.00 C ATOM 660 O LEU A 682 118.875 -5.823 9.193 1.00 0.00 O ATOM 661 CB LEU A 682 118.750 -3.946 6.767 1.00 0.00 C ATOM 662 CG LEU A 682 118.094 -3.980 5.385 1.00 0.00 C ATOM 663 CD1 LEU A 682 118.700 -2.919 4.478 1.00 0.00 C ATOM 664 CD2 LEU A 682 118.235 -5.360 4.762 1.00 0.00 C ATOM 0 H LEU A 682 117.599 -2.004 7.781 1.00 0.00 H new ATOM 0 HA LEU A 682 116.990 -4.783 7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 682 119.294 -3.007 6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 682 119.486 -4.748 6.823 1.00 0.00 H new ATOM 0 HG LEU A 682 117.032 -3.763 5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 682 118.220 -2.959 3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 682 118.546 -1.933 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 682 119.768 -3.103 4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 682 117.763 -5.366 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 682 119.292 -5.606 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 682 117.752 -6.099 5.401 1.00 0.00 H new ATOM 676 N ASP A 683 118.756 -3.794 10.158 1.00 0.00 N ATOM 677 CA ASP A 683 119.454 -4.209 11.370 1.00 0.00 C ATOM 678 C ASP A 683 120.901 -4.580 11.064 1.00 0.00 C ATOM 679 O ASP A 683 121.475 -5.462 11.701 1.00 0.00 O ATOM 680 CB ASP A 683 118.737 -5.395 12.021 1.00 0.00 C ATOM 681 CG ASP A 683 117.256 -5.140 12.215 1.00 0.00 C ATOM 682 OD1 ASP A 683 116.907 -4.148 12.891 1.00 0.00 O ATOM 683 OD2 ASP A 683 116.443 -5.932 11.692 1.00 0.00 O1- ATOM 0 H ASP A 683 118.472 -2.814 10.149 1.00 0.00 H new ATOM 0 HA ASP A 683 119.451 -3.369 12.064 1.00 0.00 H new ATOM 0 HB2 ASP A 683 118.872 -6.282 11.402 1.00 0.00 H new ATOM 0 HB3 ASP A 683 119.196 -5.608 12.987 1.00 0.00 H new ATOM 688 N LEU A 684 121.486 -3.898 10.084 1.00 0.00 N ATOM 689 CA LEU A 684 122.867 -4.153 9.693 1.00 0.00 C ATOM 690 C LEU A 684 123.750 -2.944 9.999 1.00 0.00 C ATOM 691 O LEU A 684 123.285 -1.805 9.978 1.00 0.00 O ATOM 692 CB LEU A 684 122.943 -4.491 8.201 1.00 0.00 C ATOM 693 CG LEU A 684 122.915 -5.984 7.877 1.00 0.00 C ATOM 694 CD1 LEU A 684 122.732 -6.202 6.382 1.00 0.00 C ATOM 695 CD2 LEU A 684 124.191 -6.657 8.362 1.00 0.00 C ATOM 0 H LEU A 684 121.024 -3.164 9.546 1.00 0.00 H new ATOM 0 HA LEU A 684 123.232 -5.003 10.270 1.00 0.00 H new ATOM 0 HB2 LEU A 684 122.110 -4.008 7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 684 123.858 -4.063 7.793 1.00 0.00 H new ATOM 0 HG LEU A 684 122.069 -6.434 8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 684 122.714 -7.271 6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 684 121.792 -5.753 6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 684 123.558 -5.739 5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 684 124.155 -7.720 8.123 1.00 0.00 H new ATOM 0 HD22 LEU A 684 125.051 -6.204 7.870 1.00 0.00 H new ATOM 0 HD23 LEU A 684 124.282 -6.530 9.441 1.00 0.00 H new ATOM 707 N PRO A 685 125.043 -3.179 10.287 1.00 0.00 N ATOM 708 CA PRO A 685 125.989 -2.104 10.597 1.00 0.00 C ATOM 709 C PRO A 685 125.981 -1.003 9.542 1.00 0.00 C ATOM 710 O PRO A 685 125.276 -1.099 8.537 1.00 0.00 O ATOM 711 CB PRO A 685 127.344 -2.816 10.616 1.00 0.00 C ATOM 712 CG PRO A 685 127.021 -4.232 10.951 1.00 0.00 C ATOM 713 CD PRO A 685 125.679 -4.509 10.333 1.00 0.00 C ATOM 0 HA PRO A 685 125.743 -1.603 11.533 1.00 0.00 H new ATOM 0 HB2 PRO A 685 127.844 -2.741 9.651 1.00 0.00 H new ATOM 0 HB3 PRO A 685 128.012 -2.376 11.356 1.00 0.00 H new ATOM 0 HG2 PRO A 685 127.779 -4.909 10.557 1.00 0.00 H new ATOM 0 HG3 PRO A 685 126.991 -4.380 12.030 1.00 0.00 H new ATOM 0 HD2 PRO A 685 125.777 -4.942 9.338 1.00 0.00 H new ATOM 0 HD3 PRO A 685 125.099 -5.212 10.931 1.00 0.00 H new ATOM 721 N LYS A 686 126.767 0.042 9.778 1.00 0.00 N ATOM 722 CA LYS A 686 126.849 1.161 8.845 1.00 0.00 C ATOM 723 C LYS A 686 128.022 0.987 7.888 1.00 0.00 C ATOM 724 O LYS A 686 127.884 1.181 6.679 1.00 0.00 O ATOM 725 CB LYS A 686 126.989 2.478 9.613 1.00 0.00 C ATOM 726 CG LYS A 686 125.677 3.229 9.776 1.00 0.00 C ATOM 727 CD LYS A 686 125.490 3.724 11.201 1.00 0.00 C ATOM 728 CE LYS A 686 124.795 2.685 12.066 1.00 0.00 C ATOM 729 NZ LYS A 686 124.494 3.205 13.428 1.00 0.00 N1+ ATOM 0 H LYS A 686 127.355 0.138 10.606 1.00 0.00 H new ATOM 0 HA LYS A 686 125.930 1.185 8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 686 127.405 2.272 10.599 1.00 0.00 H new ATOM 0 HB3 LYS A 686 127.702 3.118 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 686 125.654 4.076 9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 686 124.847 2.576 9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 686 126.461 3.968 11.633 1.00 0.00 H new ATOM 0 HD3 LYS A 686 124.904 4.643 11.194 1.00 0.00 H new ATOM 0 HE2 LYS A 686 123.868 2.373 11.584 1.00 0.00 H new ATOM 0 HE3 LYS A 686 125.426 1.800 12.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 686 124.020 2.465 13.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 686 125.380 3.479 13.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 686 123.871 4.034 13.353 1.00 0.00 H new ATOM 743 N TYR A 687 129.178 0.621 8.434 1.00 0.00 N ATOM 744 CA TYR A 687 130.377 0.423 7.627 1.00 0.00 C ATOM 745 C TYR A 687 130.147 -0.650 6.566 1.00 0.00 C ATOM 746 O TYR A 687 130.724 -0.597 5.480 1.00 0.00 O ATOM 747 CB TYR A 687 131.558 0.032 8.518 1.00 0.00 C ATOM 748 CG TYR A 687 131.379 -1.298 9.215 1.00 0.00 C ATOM 749 CD1 TYR A 687 131.632 -2.491 8.550 1.00 0.00 C ATOM 750 CD2 TYR A 687 130.954 -1.361 10.536 1.00 0.00 C ATOM 751 CE1 TYR A 687 131.469 -3.710 9.183 1.00 0.00 C ATOM 752 CE2 TYR A 687 130.789 -2.573 11.176 1.00 0.00 C ATOM 753 CZ TYR A 687 131.047 -3.744 10.496 1.00 0.00 C ATOM 754 OH TYR A 687 130.884 -4.955 11.129 1.00 0.00 O ATOM 0 H TYR A 687 129.310 0.456 9.432 1.00 0.00 H new ATOM 0 HA TYR A 687 130.606 1.362 7.124 1.00 0.00 H new ATOM 0 HB2 TYR A 687 132.463 -0.005 7.911 1.00 0.00 H new ATOM 0 HB3 TYR A 687 131.708 0.808 9.268 1.00 0.00 H new ATOM 0 HD1 TYR A 687 131.961 -2.466 7.522 1.00 0.00 H new ATOM 0 HD2 TYR A 687 130.749 -0.446 11.072 1.00 0.00 H new ATOM 0 HE1 TYR A 687 131.671 -4.629 8.653 1.00 0.00 H new ATOM 0 HE2 TYR A 687 130.460 -2.604 12.204 1.00 0.00 H new ATOM 0 HH TYR A 687 130.583 -4.805 12.050 1.00 0.00 H new ATOM 764 N THR A 688 129.302 -1.623 6.888 1.00 0.00 N ATOM 765 CA THR A 688 128.996 -2.709 5.963 1.00 0.00 C ATOM 766 C THR A 688 128.225 -2.195 4.752 1.00 0.00 C ATOM 767 O THR A 688 128.390 -2.699 3.640 1.00 0.00 O ATOM 768 CB THR A 688 128.178 -3.818 6.649 1.00 0.00 C ATOM 769 OG1 THR A 688 128.841 -4.252 7.843 1.00 0.00 O ATOM 770 CG2 THR A 688 127.982 -5.004 5.715 1.00 0.00 C ATOM 0 H THR A 688 128.816 -1.682 7.783 1.00 0.00 H new ATOM 0 HA THR A 688 129.949 -3.125 5.634 1.00 0.00 H new ATOM 0 HB THR A 688 127.200 -3.410 6.904 1.00 0.00 H new ATOM 0 HG1 THR A 688 129.710 -3.806 7.915 1.00 0.00 H new ATOM 0 HG21 THR A 688 127.401 -5.774 6.222 1.00 0.00 H new ATOM 0 HG22 THR A 688 127.451 -4.679 4.821 1.00 0.00 H new ATOM 0 HG23 THR A 688 128.954 -5.409 5.432 1.00 0.00 H new ATOM 778 N ILE A 689 127.385 -1.191 4.974 1.00 0.00 N ATOM 779 CA ILE A 689 126.589 -0.607 3.901 1.00 0.00 C ATOM 780 C ILE A 689 127.460 0.213 2.955 1.00 0.00 C ATOM 781 O ILE A 689 127.136 0.370 1.778 1.00 0.00 O ATOM 782 CB ILE A 689 125.467 0.289 4.457 1.00 0.00 C ATOM 783 CG1 ILE A 689 124.679 -0.453 5.538 1.00 0.00 C ATOM 784 CG2 ILE A 689 124.542 0.738 3.335 1.00 0.00 C ATOM 785 CD1 ILE A 689 123.585 0.381 6.168 1.00 0.00 C ATOM 0 H ILE A 689 127.237 -0.764 5.888 1.00 0.00 H new ATOM 0 HA ILE A 689 126.142 -1.435 3.352 1.00 0.00 H new ATOM 0 HB ILE A 689 125.919 1.174 4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 689 124.237 -1.349 5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 689 125.367 -0.783 6.316 1.00 0.00 H new ATOM 0 HG21 ILE A 689 123.754 1.371 3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 689 125.113 1.301 2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 689 124.096 -0.136 2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 689 123.068 -0.209 6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 689 124.023 1.264 6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 689 122.875 0.689 5.401 1.00 0.00 H new ATOM 797 N ILE A 690 128.566 0.734 3.476 1.00 0.00 N ATOM 798 CA ILE A 690 129.482 1.538 2.674 1.00 0.00 C ATOM 799 C ILE A 690 130.241 0.670 1.677 1.00 0.00 C ATOM 800 O ILE A 690 130.297 0.979 0.487 1.00 0.00 O ATOM 801 CB ILE A 690 130.503 2.293 3.553 1.00 0.00 C ATOM 802 CG1 ILE A 690 129.844 2.808 4.838 1.00 0.00 C ATOM 803 CG2 ILE A 690 131.122 3.443 2.774 1.00 0.00 C ATOM 804 CD1 ILE A 690 128.575 3.595 4.600 1.00 0.00 C ATOM 0 H ILE A 690 128.850 0.614 4.448 1.00 0.00 H new ATOM 0 HA ILE A 690 128.871 2.265 2.139 1.00 0.00 H new ATOM 0 HB ILE A 690 131.293 1.596 3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 690 129.619 1.960 5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 690 130.555 3.437 5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 690 131.840 3.966 3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 690 131.631 3.053 1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 690 130.339 4.135 2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 690 128.167 3.926 5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 690 128.796 4.464 3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 690 127.845 2.964 4.093 1.00 0.00 H new ATOM 816 N LYS A 691 130.824 -0.416 2.174 1.00 0.00 N ATOM 817 CA LYS A 691 131.584 -1.331 1.330 1.00 0.00 C ATOM 818 C LYS A 691 130.723 -1.872 0.192 1.00 0.00 C ATOM 819 O LYS A 691 131.171 -1.956 -0.951 1.00 0.00 O ATOM 820 CB LYS A 691 132.134 -2.490 2.168 1.00 0.00 C ATOM 821 CG LYS A 691 133.616 -2.359 2.486 1.00 0.00 C ATOM 822 CD LYS A 691 133.877 -2.434 3.982 1.00 0.00 C ATOM 823 CE LYS A 691 135.186 -1.756 4.353 1.00 0.00 C ATOM 824 NZ LYS A 691 135.165 -0.301 4.044 1.00 0.00 N1+ ATOM 0 H LYS A 691 130.785 -0.684 3.157 1.00 0.00 H new ATOM 0 HA LYS A 691 132.416 -0.777 0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 691 131.574 -2.551 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 691 131.966 -3.425 1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 691 134.169 -3.151 1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 691 133.989 -1.411 2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 691 133.056 -1.961 4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 691 133.905 -3.477 4.296 1.00 0.00 H new ATOM 0 HE2 LYS A 691 135.380 -1.898 5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 691 136.006 -2.230 3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 135.431 0.238 4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 135.840 -0.099 3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 134.209 -0.024 3.744 1.00 0.00 H new ATOM 838 N PHE A 692 129.486 -2.237 0.513 1.00 0.00 N ATOM 839 CA PHE A 692 128.564 -2.769 -0.485 1.00 0.00 C ATOM 840 C PHE A 692 128.277 -1.733 -1.567 1.00 0.00 C ATOM 841 O PHE A 692 128.432 -2.006 -2.757 1.00 0.00 O ATOM 842 CB PHE A 692 127.258 -3.208 0.178 1.00 0.00 C ATOM 843 CG PHE A 692 126.320 -3.920 -0.757 1.00 0.00 C ATOM 844 CD1 PHE A 692 126.629 -5.180 -1.240 1.00 0.00 C ATOM 845 CD2 PHE A 692 125.133 -3.325 -1.153 1.00 0.00 C ATOM 846 CE1 PHE A 692 125.770 -5.837 -2.101 1.00 0.00 C ATOM 847 CE2 PHE A 692 124.270 -3.975 -2.013 1.00 0.00 C ATOM 848 CZ PHE A 692 124.588 -5.233 -2.489 1.00 0.00 C ATOM 0 H PHE A 692 129.099 -2.174 1.455 1.00 0.00 H new ATOM 0 HA PHE A 692 129.034 -3.635 -0.952 1.00 0.00 H new ATOM 0 HB2 PHE A 692 127.489 -3.864 1.018 1.00 0.00 H new ATOM 0 HB3 PHE A 692 126.755 -2.332 0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 692 127.552 -5.655 -0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 692 124.880 -2.342 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 692 126.022 -6.820 -2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 692 123.347 -3.501 -2.313 1.00 0.00 H new ATOM 0 HZ PHE A 692 123.915 -5.743 -3.162 1.00 0.00 H new ATOM 858 N PHE A 693 127.856 -0.545 -1.145 1.00 0.00 N ATOM 859 CA PHE A 693 127.544 0.531 -2.080 1.00 0.00 C ATOM 860 C PHE A 693 128.763 0.888 -2.927 1.00 0.00 C ATOM 861 O PHE A 693 128.666 1.015 -4.148 1.00 0.00 O ATOM 862 CB PHE A 693 127.055 1.767 -1.322 1.00 0.00 C ATOM 863 CG PHE A 693 125.558 1.861 -1.237 1.00 0.00 C ATOM 864 CD1 PHE A 693 124.796 2.051 -2.380 1.00 0.00 C ATOM 865 CD2 PHE A 693 124.912 1.761 -0.015 1.00 0.00 C ATOM 866 CE1 PHE A 693 123.420 2.137 -2.306 1.00 0.00 C ATOM 867 CE2 PHE A 693 123.535 1.847 0.066 1.00 0.00 C ATOM 868 CZ PHE A 693 122.788 2.035 -1.082 1.00 0.00 C ATOM 0 H PHE A 693 127.723 -0.303 -0.163 1.00 0.00 H new ATOM 0 HA PHE A 693 126.753 0.183 -2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 693 127.469 1.753 -0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 693 127.441 2.661 -1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 693 125.285 2.133 -3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 693 125.491 1.614 0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 693 122.838 2.284 -3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 693 123.043 1.767 1.024 1.00 0.00 H new ATOM 0 HZ PHE A 693 121.712 2.102 -1.022 1.00 0.00 H new ATOM 878 N GLN A 694 129.908 1.046 -2.273 1.00 0.00 N ATOM 879 CA GLN A 694 131.145 1.387 -2.970 1.00 0.00 C ATOM 880 C GLN A 694 131.539 0.283 -3.945 1.00 0.00 C ATOM 881 O GLN A 694 131.996 0.554 -5.055 1.00 0.00 O ATOM 882 CB GLN A 694 132.273 1.628 -1.964 1.00 0.00 C ATOM 883 CG GLN A 694 132.697 3.085 -1.865 1.00 0.00 C ATOM 884 CD GLN A 694 133.096 3.481 -0.457 1.00 0.00 C ATOM 885 OE1 GLN A 694 133.388 2.628 0.382 1.00 0.00 O ATOM 886 NE2 GLN A 694 133.114 4.781 -0.191 1.00 0.00 N ATOM 0 H GLN A 694 130.007 0.944 -1.263 1.00 0.00 H new ATOM 0 HA GLN A 694 130.975 2.303 -3.537 1.00 0.00 H new ATOM 0 HB2 GLN A 694 131.952 1.284 -0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 694 133.136 1.025 -2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 694 133.534 3.263 -2.540 1.00 0.00 H new ATOM 0 HG3 GLN A 694 131.878 3.722 -2.199 1.00 0.00 H new ATOM 0 HE21 GLN A 694 132.865 5.453 -0.916 1.00 0.00 H new ATOM 0 HE22 GLN A 694 133.377 5.108 0.739 1.00 0.00 H new ATOM 895 N ASN A 695 131.359 -0.965 -3.522 1.00 0.00 N ATOM 896 CA ASN A 695 131.695 -2.112 -4.359 1.00 0.00 C ATOM 897 C ASN A 695 130.651 -2.313 -5.453 1.00 0.00 C ATOM 898 O ASN A 695 130.953 -2.845 -6.521 1.00 0.00 O ATOM 899 CB ASN A 695 131.807 -3.376 -3.505 1.00 0.00 C ATOM 900 CG ASN A 695 133.180 -3.533 -2.880 1.00 0.00 C ATOM 901 OD1 ASN A 695 134.037 -2.659 -3.012 1.00 0.00 O ATOM 902 ND2 ASN A 695 133.395 -4.650 -2.195 1.00 0.00 N ATOM 0 H ASN A 695 130.983 -1.207 -2.605 1.00 0.00 H new ATOM 0 HA ASN A 695 132.657 -1.915 -4.833 1.00 0.00 H new ATOM 0 HB2 ASN A 695 131.054 -3.347 -2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 695 131.590 -4.248 -4.122 1.00 0.00 H new ATOM 0 HD21 ASN A 695 134.300 -4.811 -1.752 1.00 0.00 H new ATOM 0 HD22 ASN A 695 132.655 -5.347 -2.112 1.00 0.00 H new ATOM 909 N GLN A 696 129.421 -1.888 -5.179 1.00 0.00 N ATOM 910 CA GLN A 696 128.332 -2.023 -6.140 1.00 0.00 C ATOM 911 C GLN A 696 128.681 -1.344 -7.462 1.00 0.00 C ATOM 912 O GLN A 696 128.235 -1.773 -8.528 1.00 0.00 O ATOM 913 CB GLN A 696 127.044 -1.423 -5.571 1.00 0.00 C ATOM 914 CG GLN A 696 126.181 -2.429 -4.828 1.00 0.00 C ATOM 915 CD GLN A 696 125.782 -3.607 -5.694 1.00 0.00 C ATOM 916 OE1 GLN A 696 125.001 -3.464 -6.636 1.00 0.00 O ATOM 917 NE2 GLN A 696 126.317 -4.780 -5.379 1.00 0.00 N ATOM 0 H GLN A 696 129.154 -1.447 -4.299 1.00 0.00 H new ATOM 0 HA GLN A 696 128.179 -3.086 -6.328 1.00 0.00 H new ATOM 0 HB2 GLN A 696 127.301 -0.608 -4.895 1.00 0.00 H new ATOM 0 HB3 GLN A 696 126.463 -0.991 -6.386 1.00 0.00 H new ATOM 0 HG2 GLN A 696 126.723 -2.792 -3.955 1.00 0.00 H new ATOM 0 HG3 GLN A 696 125.283 -1.931 -4.462 1.00 0.00 H new ATOM 0 HE21 GLN A 696 126.960 -4.852 -4.590 1.00 0.00 H new ATOM 0 HE22 GLN A 696 126.086 -5.609 -5.926 1.00 0.00 H new ATOM 926 N ARG A 697 129.479 -0.286 -7.387 1.00 0.00 N ATOM 927 CA ARG A 697 129.887 0.451 -8.578 1.00 0.00 C ATOM 928 C ARG A 697 130.653 -0.454 -9.538 1.00 0.00 C ATOM 929 O ARG A 697 130.468 -0.384 -10.754 1.00 0.00 O ATOM 930 CB ARG A 697 130.753 1.650 -8.191 1.00 0.00 C ATOM 931 CG ARG A 697 130.094 2.580 -7.186 1.00 0.00 C ATOM 932 CD ARG A 697 131.084 3.591 -6.632 1.00 0.00 C ATOM 933 NE ARG A 697 132.321 2.958 -6.182 1.00 0.00 N ATOM 934 CZ ARG A 697 133.470 3.607 -6.015 1.00 0.00 C ATOM 935 NH1 ARG A 697 133.545 4.909 -6.257 1.00 0.00 N1+ ATOM 936 NH2 ARG A 697 134.548 2.952 -5.605 1.00 0.00 N ATOM 0 H ARG A 697 129.857 0.082 -6.514 1.00 0.00 H new ATOM 0 HA ARG A 697 128.988 0.809 -9.080 1.00 0.00 H new ATOM 0 HB2 ARG A 697 131.694 1.289 -7.776 1.00 0.00 H new ATOM 0 HB3 ARG A 697 130.998 2.216 -9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 697 129.265 3.104 -7.662 1.00 0.00 H new ATOM 0 HG3 ARG A 697 129.674 1.995 -6.368 1.00 0.00 H new ATOM 0 HD2 ARG A 697 131.314 4.331 -7.399 1.00 0.00 H new ATOM 0 HD3 ARG A 697 130.627 4.126 -5.800 1.00 0.00 H new ATOM 0 HE ARG A 697 132.303 1.958 -5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 697 132.719 5.417 -6.573 1.00 0.00 H new ATOM 0 HH12 ARG A 697 134.429 5.402 -6.127 1.00 0.00 H new ATOM 0 HH21 ARG A 697 134.496 1.951 -5.418 1.00 0.00 H new ATOM 0 HH22 ARG A 697 135.429 3.450 -5.477 1.00 0.00 H new ATOM 950 N TYR A 698 131.513 -1.301 -8.985 1.00 0.00 N ATOM 951 CA TYR A 698 132.309 -2.219 -9.791 1.00 0.00 C ATOM 952 C TYR A 698 131.501 -3.458 -10.162 1.00 0.00 C ATOM 953 O TYR A 698 131.686 -4.032 -11.237 1.00 0.00 O ATOM 954 CB TYR A 698 133.573 -2.631 -9.033 1.00 0.00 C ATOM 955 CG TYR A 698 134.742 -1.697 -9.251 1.00 0.00 C ATOM 956 CD1 TYR A 698 134.564 -0.319 -9.247 1.00 0.00 C ATOM 957 CD2 TYR A 698 136.022 -2.194 -9.460 1.00 0.00 C ATOM 958 CE1 TYR A 698 135.631 0.538 -9.445 1.00 0.00 C ATOM 959 CE2 TYR A 698 137.093 -1.343 -9.657 1.00 0.00 C ATOM 960 CZ TYR A 698 136.893 0.021 -9.648 1.00 0.00 C ATOM 961 OH TYR A 698 137.957 0.871 -9.844 1.00 0.00 O ATOM 0 H TYR A 698 131.677 -1.371 -7.981 1.00 0.00 H new ATOM 0 HA TYR A 698 132.594 -1.704 -10.708 1.00 0.00 H new ATOM 0 HB2 TYR A 698 133.349 -2.676 -7.967 1.00 0.00 H new ATOM 0 HB3 TYR A 698 133.860 -3.636 -9.341 1.00 0.00 H new ATOM 0 HD1 TYR A 698 133.577 0.089 -9.087 1.00 0.00 H new ATOM 0 HD2 TYR A 698 136.183 -3.262 -9.469 1.00 0.00 H new ATOM 0 HE1 TYR A 698 135.477 1.607 -9.441 1.00 0.00 H new ATOM 0 HE2 TYR A 698 138.083 -1.745 -9.817 1.00 0.00 H new ATOM 0 HH TYR A 698 138.775 0.347 -9.971 1.00 0.00 H new ATOM 971 N TYR A 699 130.605 -3.867 -9.269 1.00 0.00 N ATOM 972 CA TYR A 699 129.770 -5.040 -9.504 1.00 0.00 C ATOM 973 C TYR A 699 129.050 -4.944 -10.845 1.00 0.00 C ATOM 974 O TYR A 699 128.810 -5.955 -11.505 1.00 0.00 O ATOM 975 CB TYR A 699 128.751 -5.202 -8.378 1.00 0.00 C ATOM 976 CG TYR A 699 127.936 -6.470 -8.483 1.00 0.00 C ATOM 977 CD1 TYR A 699 128.557 -7.710 -8.576 1.00 0.00 C ATOM 978 CD2 TYR A 699 126.548 -6.430 -8.490 1.00 0.00 C ATOM 979 CE1 TYR A 699 127.818 -8.873 -8.674 1.00 0.00 C ATOM 980 CE2 TYR A 699 125.802 -7.587 -8.587 1.00 0.00 C ATOM 981 CZ TYR A 699 126.440 -8.806 -8.679 1.00 0.00 C ATOM 982 OH TYR A 699 125.698 -9.962 -8.775 1.00 0.00 O ATOM 0 H TYR A 699 130.439 -3.403 -8.376 1.00 0.00 H new ATOM 0 HA TYR A 699 130.421 -5.914 -9.526 1.00 0.00 H new ATOM 0 HB2 TYR A 699 129.273 -5.193 -7.421 1.00 0.00 H new ATOM 0 HB3 TYR A 699 128.078 -4.345 -8.382 1.00 0.00 H new ATOM 0 HD1 TYR A 699 129.636 -7.765 -8.572 1.00 0.00 H new ATOM 0 HD2 TYR A 699 126.044 -5.478 -8.418 1.00 0.00 H new ATOM 0 HE1 TYR A 699 128.316 -9.829 -8.746 1.00 0.00 H new ATOM 0 HE2 TYR A 699 124.723 -7.538 -8.591 1.00 0.00 H new ATOM 0 HH TYR A 699 124.744 -9.740 -8.764 1.00 0.00 H new ATOM 992 N LEU A 700 128.712 -3.722 -11.244 1.00 0.00 N ATOM 993 CA LEU A 700 128.026 -3.499 -12.510 1.00 0.00 C ATOM 994 C LEU A 700 129.019 -3.157 -13.617 1.00 0.00 C ATOM 995 O LEU A 700 128.652 -2.554 -14.627 1.00 0.00 O ATOM 996 CB LEU A 700 126.998 -2.375 -12.363 1.00 0.00 C ATOM 997 CG LEU A 700 125.932 -2.606 -11.291 1.00 0.00 C ATOM 998 CD1 LEU A 700 125.384 -1.279 -10.787 1.00 0.00 C ATOM 999 CD2 LEU A 700 124.810 -3.477 -11.835 1.00 0.00 C ATOM 0 H LEU A 700 128.902 -2.874 -10.710 1.00 0.00 H new ATOM 0 HA LEU A 700 127.512 -4.420 -12.784 1.00 0.00 H new ATOM 0 HB2 LEU A 700 127.526 -1.449 -12.135 1.00 0.00 H new ATOM 0 HB3 LEU A 700 126.501 -2.231 -13.322 1.00 0.00 H new ATOM 0 HG LEU A 700 126.394 -3.126 -10.452 1.00 0.00 H new ATOM 0 HD11 LEU A 700 124.627 -1.464 -10.025 1.00 0.00 H new ATOM 0 HD12 LEU A 700 126.195 -0.690 -10.358 1.00 0.00 H new ATOM 0 HD13 LEU A 700 124.937 -0.731 -11.617 1.00 0.00 H new ATOM 0 HD21 LEU A 700 124.060 -3.631 -11.059 1.00 0.00 H new ATOM 0 HD22 LEU A 700 124.350 -2.984 -12.692 1.00 0.00 H new ATOM 0 HD23 LEU A 700 125.215 -4.440 -12.145 1.00 0.00 H new ATOM 1011 N LYS A 701 130.279 -3.544 -13.423 1.00 0.00 N ATOM 1012 CA LYS A 701 131.319 -3.275 -14.406 1.00 0.00 C ATOM 1013 C LYS A 701 132.617 -3.997 -14.043 1.00 0.00 C ATOM 1014 O LYS A 701 133.710 -3.503 -14.316 1.00 0.00 O ATOM 1015 CB LYS A 701 131.568 -1.767 -14.513 1.00 0.00 C ATOM 1016 CG LYS A 701 131.032 -1.153 -15.795 1.00 0.00 C ATOM 1017 CD LYS A 701 130.752 0.334 -15.628 1.00 0.00 C ATOM 1018 CE LYS A 701 131.376 1.150 -16.750 1.00 0.00 C ATOM 1019 NZ LYS A 701 130.657 2.436 -16.968 1.00 0.00 N1+ ATOM 0 H LYS A 701 130.601 -4.044 -12.594 1.00 0.00 H new ATOM 0 HA LYS A 701 130.979 -3.650 -15.371 1.00 0.00 H new ATOM 0 HB2 LYS A 701 131.106 -1.269 -13.660 1.00 0.00 H new ATOM 0 HB3 LYS A 701 132.640 -1.578 -14.450 1.00 0.00 H new ATOM 0 HG2 LYS A 701 131.753 -1.300 -16.599 1.00 0.00 H new ATOM 0 HG3 LYS A 701 130.116 -1.666 -16.090 1.00 0.00 H new ATOM 0 HD2 LYS A 701 129.675 0.502 -15.610 1.00 0.00 H new ATOM 0 HD3 LYS A 701 131.144 0.673 -14.669 1.00 0.00 H new ATOM 0 HE2 LYS A 701 132.420 1.354 -16.513 1.00 0.00 H new ATOM 0 HE3 LYS A 701 131.366 0.568 -17.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 701 131.113 2.962 -17.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 701 129.667 2.242 -17.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 701 130.688 3.003 -16.097 1.00 0.00 H new ATOM 1033 N HIS A 702 132.489 -5.171 -13.429 1.00 0.00 N ATOM 1034 CA HIS A 702 133.654 -5.955 -13.035 1.00 0.00 C ATOM 1035 C HIS A 702 133.238 -7.321 -12.489 1.00 0.00 C ATOM 1036 O HIS A 702 133.283 -8.323 -13.202 1.00 0.00 O ATOM 1037 CB HIS A 702 134.479 -5.199 -11.990 1.00 0.00 C ATOM 1038 CG HIS A 702 135.621 -4.429 -12.576 1.00 0.00 C ATOM 1039 ND1 HIS A 702 136.574 -4.999 -13.393 1.00 0.00 N ATOM 1040 CD2 HIS A 702 135.962 -3.123 -12.458 1.00 0.00 C ATOM 1041 CE1 HIS A 702 137.452 -4.078 -13.752 1.00 0.00 C ATOM 1042 NE2 HIS A 702 137.102 -2.933 -13.198 1.00 0.00 N ATOM 0 H HIS A 702 131.593 -5.598 -13.195 1.00 0.00 H new ATOM 0 HA HIS A 702 134.267 -6.114 -13.922 1.00 0.00 H new ATOM 0 HB2 HIS A 702 133.827 -4.512 -11.451 1.00 0.00 H new ATOM 0 HB3 HIS A 702 134.867 -5.910 -11.260 1.00 0.00 H new ATOM 0 HD2 HIS A 702 135.435 -2.372 -11.888 1.00 0.00 H new ATOM 0 HE1 HIS A 702 138.309 -4.236 -14.390 1.00 0.00 H new ATOM 0 HE2 HIS A 702 137.599 -2.048 -13.303 1.00 0.00 H new ATOM 1051 N HIS A 703 132.839 -7.355 -11.219 1.00 0.00 N ATOM 1052 CA HIS A 703 132.421 -8.600 -10.582 1.00 0.00 C ATOM 1053 C HIS A 703 131.974 -8.358 -9.144 1.00 0.00 C ATOM 1054 O HIS A 703 131.942 -7.221 -8.677 1.00 0.00 O ATOM 1055 CB HIS A 703 133.564 -9.616 -10.606 1.00 0.00 C ATOM 1056 CG HIS A 703 134.797 -9.144 -9.897 1.00 0.00 C ATOM 1057 ND1 HIS A 703 136.072 -9.424 -10.340 1.00 0.00 N ATOM 1058 CD2 HIS A 703 134.946 -8.407 -8.770 1.00 0.00 C ATOM 1059 CE1 HIS A 703 136.952 -8.880 -9.517 1.00 0.00 C ATOM 1060 NE2 HIS A 703 136.295 -8.257 -8.557 1.00 0.00 N ATOM 0 H HIS A 703 132.797 -6.536 -10.613 1.00 0.00 H new ATOM 0 HA HIS A 703 131.575 -8.997 -11.143 1.00 0.00 H new ATOM 0 HB2 HIS A 703 133.224 -10.545 -10.148 1.00 0.00 H new ATOM 0 HB3 HIS A 703 133.815 -9.845 -11.642 1.00 0.00 H new ATOM 0 HD2 HIS A 703 134.152 -8.011 -8.154 1.00 0.00 H new ATOM 0 HE1 HIS A 703 138.026 -8.936 -9.614 1.00 0.00 H new ATOM 0 HE2 HIS A 703 136.720 -7.747 -7.783 1.00 0.00 H new ATOM 1069 N GLY A 704 131.639 -9.438 -8.445 1.00 0.00 N ATOM 1070 CA GLY A 704 131.205 -9.324 -7.064 1.00 0.00 C ATOM 1071 C GLY A 704 130.824 -10.662 -6.465 1.00 0.00 C ATOM 1072 O GLY A 704 130.672 -11.651 -7.182 1.00 0.00 O ATOM 0 H GLY A 704 131.660 -10.390 -8.810 1.00 0.00 H new ATOM 0 HA2 GLY A 704 132.003 -8.878 -6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 704 130.351 -8.648 -7.009 1.00 0.00 H new ATOM 1076 N LYS A 705 130.670 -10.696 -5.144 1.00 0.00 N ATOM 1077 CA LYS A 705 130.304 -11.923 -4.449 1.00 0.00 C ATOM 1078 C LYS A 705 128.817 -12.216 -4.607 1.00 0.00 C ATOM 1079 O LYS A 705 127.981 -11.628 -3.919 1.00 0.00 O ATOM 1080 CB LYS A 705 130.663 -11.817 -2.965 1.00 0.00 C ATOM 1081 CG LYS A 705 132.161 -11.780 -2.705 1.00 0.00 C ATOM 1082 CD LYS A 705 132.479 -11.160 -1.354 1.00 0.00 C ATOM 1083 CE LYS A 705 133.495 -11.989 -0.584 1.00 0.00 C ATOM 1084 NZ LYS A 705 134.888 -11.727 -1.042 1.00 0.00 N1+ ATOM 0 H LYS A 705 130.793 -9.887 -4.535 1.00 0.00 H new ATOM 0 HA LYS A 705 130.864 -12.745 -4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 705 130.208 -10.916 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 705 130.231 -12.665 -2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 705 132.563 -12.792 -2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 705 132.654 -11.210 -3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 705 132.866 -10.151 -1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 705 131.563 -11.070 -0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 705 133.415 -11.765 0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 705 133.266 -13.048 -0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 705 135.550 -12.311 -0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 705 134.972 -11.964 -2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 705 135.116 -10.722 -0.903 1.00 0.00 H new ATOM 1098 N LEU A 706 128.491 -13.127 -5.519 1.00 0.00 N ATOM 1099 CA LEU A 706 127.102 -13.497 -5.769 1.00 0.00 C ATOM 1100 C LEU A 706 126.496 -14.196 -4.558 1.00 0.00 C ATOM 1101 O LEU A 706 125.321 -14.010 -4.243 1.00 0.00 O ATOM 1102 CB LEU A 706 127.008 -14.404 -6.999 1.00 0.00 C ATOM 1103 CG LEU A 706 125.853 -14.085 -7.949 1.00 0.00 C ATOM 1104 CD1 LEU A 706 124.517 -14.257 -7.243 1.00 0.00 C ATOM 1105 CD2 LEU A 706 125.990 -12.672 -8.497 1.00 0.00 C ATOM 0 H LEU A 706 129.170 -13.622 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 706 126.537 -12.583 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 706 127.944 -14.337 -7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 706 126.909 -15.436 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 706 125.891 -14.784 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 706 123.707 -14.026 -7.935 1.00 0.00 H new ATOM 0 HD12 LEU A 706 124.417 -15.286 -6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 706 124.468 -13.582 -6.388 1.00 0.00 H new ATOM 0 HD21 LEU A 706 125.160 -12.461 -9.171 1.00 0.00 H new ATOM 0 HD22 LEU A 706 125.978 -11.959 -7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 706 126.931 -12.582 -9.040 1.00 0.00 H new ATOM 1117 N LYS A 707 127.305 -15.003 -3.880 1.00 0.00 N ATOM 1118 CA LYS A 707 126.850 -15.732 -2.702 1.00 0.00 C ATOM 1119 C LYS A 707 127.681 -15.364 -1.478 1.00 0.00 C ATOM 1120 O LYS A 707 127.158 -15.483 -0.349 1.00 0.00 O ATOM 1121 CB LYS A 707 126.920 -17.240 -2.952 1.00 0.00 C ATOM 1122 CG LYS A 707 125.579 -17.943 -2.815 1.00 0.00 C ATOM 1123 CD LYS A 707 125.463 -19.120 -3.773 1.00 0.00 C ATOM 1124 CE LYS A 707 125.672 -20.446 -3.059 1.00 0.00 C ATOM 1125 NZ LYS A 707 124.408 -21.227 -2.956 1.00 0.00 N1+ ATOM 1126 OXT LYS A 707 128.849 -14.961 -1.658 1.00 0.00 O ATOM 0 H LYS A 707 128.281 -15.169 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 707 125.814 -15.452 -2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 707 127.312 -17.416 -3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 707 127.627 -17.684 -2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 707 125.454 -18.293 -1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 707 124.774 -17.234 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 707 124.480 -19.111 -4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 707 126.199 -19.015 -4.570 1.00 0.00 H new ATOM 0 HE2 LYS A 707 126.419 -21.033 -3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 707 126.067 -20.262 -2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 707 124.593 -22.124 -2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 707 123.703 -20.678 -2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 707 124.044 -21.425 -3.910 1.00 0.00 H new TER 1140 LYS A 707