USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 374 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 687 SER OG : rot 180:sc= 0 USER MOD Single : A 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 SER OG : rot 88:sc= 1.24 USER MOD Single : A 701 MET CE :methyl 155:sc= -0.126 (180deg=-0.816) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 73:sc= 0.495 USER MOD Single : A 722 HIS :FLIP no HD1:sc= -2.01 F(o=-2.8!,f=-2) USER MOD Single : A 725 LYS NZ :NH3+ -164:sc= -0.0139 (180deg=-0.252) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 0.315 12.078 -5.713 1.00 1.00 N ATOM 2 CA PRO A 685 -0.063 12.916 -4.550 1.00 1.00 C ATOM 3 C PRO A 685 -1.013 12.139 -3.642 1.00 1.00 C ATOM 4 O PRO A 685 -0.975 12.286 -2.421 1.00 1.00 O ATOM 5 CB PRO A 685 -0.742 14.176 -5.069 1.00 1.00 C ATOM 6 CG PRO A 685 -1.084 13.876 -6.495 1.00 1.00 C ATOM 7 CD PRO A 685 -0.177 12.725 -6.964 1.00 1.00 C ATOM 0 HA PRO A 685 0.822 13.184 -3.973 1.00 1.00 H new ATOM 0 HB2 PRO A 685 -1.636 14.409 -4.490 1.00 1.00 H new ATOM 0 HB3 PRO A 685 -0.080 15.039 -4.996 1.00 1.00 H new ATOM 0 HG2 PRO A 685 -2.134 13.596 -6.585 1.00 1.00 H new ATOM 0 HG3 PRO A 685 -0.934 14.758 -7.117 1.00 1.00 H new ATOM 0 HD2 PRO A 685 -0.728 12.017 -7.583 1.00 1.00 H new ATOM 0 HD3 PRO A 685 0.651 13.097 -7.567 1.00 1.00 H new ATOM 17 N GLU A 686 -1.863 11.312 -4.244 1.00 1.00 N ATOM 18 CA GLU A 686 -2.816 10.520 -3.473 1.00 1.00 C ATOM 19 C GLU A 686 -2.080 9.509 -2.598 1.00 1.00 C ATOM 20 O GLU A 686 -2.489 9.239 -1.470 1.00 1.00 O ATOM 21 CB GLU A 686 -3.777 9.786 -4.414 1.00 1.00 C ATOM 22 CG GLU A 686 -4.830 9.036 -3.593 1.00 1.00 C ATOM 23 CD GLU A 686 -5.821 8.340 -4.520 1.00 1.00 C ATOM 24 OE1 GLU A 686 -5.547 8.276 -5.707 1.00 1.00 O ATOM 25 OE2 GLU A 686 -6.839 7.879 -4.029 1.00 1.00 O ATOM 0 H GLU A 686 -1.912 11.173 -5.253 1.00 1.00 H new ATOM 0 HA GLU A 686 -3.387 11.193 -2.833 1.00 1.00 H new ATOM 0 HB2 GLU A 686 -4.262 10.498 -5.082 1.00 1.00 H new ATOM 0 HB3 GLU A 686 -3.224 9.086 -5.041 1.00 1.00 H new ATOM 0 HG2 GLU A 686 -4.345 8.302 -2.949 1.00 1.00 H new ATOM 0 HG3 GLU A 686 -5.358 9.732 -2.941 1.00 1.00 H new ATOM 32 N SER A 687 -0.996 8.952 -3.127 1.00 1.00 N ATOM 33 CA SER A 687 -0.214 7.971 -2.383 1.00 1.00 C ATOM 34 C SER A 687 1.132 7.734 -3.063 1.00 1.00 C ATOM 35 O SER A 687 1.367 6.675 -3.643 1.00 1.00 O ATOM 36 CB SER A 687 -0.987 6.654 -2.296 1.00 1.00 C ATOM 37 OG SER A 687 -1.778 6.497 -3.467 1.00 1.00 O ATOM 0 H SER A 687 -0.641 9.161 -4.060 1.00 1.00 H new ATOM 0 HA SER A 687 -0.035 8.355 -1.379 1.00 1.00 H new ATOM 0 HB2 SER A 687 -0.295 5.818 -2.196 1.00 1.00 H new ATOM 0 HB3 SER A 687 -1.622 6.649 -1.410 1.00 1.00 H new ATOM 0 HG SER A 687 -2.274 5.653 -3.416 1.00 1.00 H new ATOM 43 N PRO A 688 2.009 8.700 -3.008 1.00 1.00 N ATOM 44 CA PRO A 688 3.361 8.600 -3.638 1.00 1.00 C ATOM 45 C PRO A 688 4.187 7.443 -3.078 1.00 1.00 C ATOM 46 O PRO A 688 4.142 7.157 -1.880 1.00 1.00 O ATOM 47 CB PRO A 688 4.031 9.937 -3.301 1.00 1.00 C ATOM 48 CG PRO A 688 2.923 10.866 -2.926 1.00 1.00 C ATOM 49 CD PRO A 688 1.810 9.997 -2.345 1.00 1.00 C ATOM 0 HA PRO A 688 3.283 8.407 -4.708 1.00 1.00 H new ATOM 0 HB2 PRO A 688 4.740 9.823 -2.481 1.00 1.00 H new ATOM 0 HB3 PRO A 688 4.590 10.320 -4.155 1.00 1.00 H new ATOM 0 HG2 PRO A 688 3.263 11.601 -2.196 1.00 1.00 H new ATOM 0 HG3 PRO A 688 2.569 11.420 -3.796 1.00 1.00 H new ATOM 0 HD2 PRO A 688 1.892 9.911 -1.261 1.00 1.00 H new ATOM 0 HD3 PRO A 688 0.824 10.410 -2.559 1.00 1.00 H new ATOM 57 N LYS A 689 4.957 6.794 -3.951 1.00 1.00 N ATOM 58 CA LYS A 689 5.803 5.686 -3.527 1.00 1.00 C ATOM 59 C LYS A 689 6.834 6.183 -2.522 1.00 1.00 C ATOM 60 O LYS A 689 7.093 5.535 -1.508 1.00 1.00 O ATOM 61 CB LYS A 689 6.521 5.075 -4.733 1.00 1.00 C ATOM 62 CG LYS A 689 5.515 4.357 -5.634 1.00 1.00 C ATOM 63 CD LYS A 689 6.256 3.759 -6.832 1.00 1.00 C ATOM 64 CE LYS A 689 5.266 3.039 -7.750 1.00 1.00 C ATOM 65 NZ LYS A 689 6.004 2.436 -8.896 1.00 1.00 N ATOM 0 H LYS A 689 5.011 7.015 -4.945 1.00 1.00 H new ATOM 0 HA LYS A 689 5.177 4.924 -3.063 1.00 1.00 H new ATOM 0 HB2 LYS A 689 7.033 5.856 -5.296 1.00 1.00 H new ATOM 0 HB3 LYS A 689 7.284 4.374 -4.395 1.00 1.00 H new ATOM 0 HG2 LYS A 689 5.005 3.571 -5.077 1.00 1.00 H new ATOM 0 HG3 LYS A 689 4.750 5.055 -5.975 1.00 1.00 H new ATOM 0 HD2 LYS A 689 6.770 4.547 -7.383 1.00 1.00 H new ATOM 0 HD3 LYS A 689 7.019 3.061 -6.487 1.00 1.00 H new ATOM 0 HE2 LYS A 689 4.736 2.264 -7.196 1.00 1.00 H new ATOM 0 HE3 LYS A 689 4.515 3.740 -8.115 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 5.333 1.946 -9.522 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 6.490 3.185 -9.429 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 6.704 1.755 -8.538 1.00 1.00 H new ATOM 79 N GLY A 690 7.407 7.349 -2.807 1.00 1.00 N ATOM 80 CA GLY A 690 8.397 7.939 -1.917 1.00 1.00 C ATOM 81 C GLY A 690 9.812 7.785 -2.466 1.00 1.00 C ATOM 82 O GLY A 690 10.027 7.151 -3.500 1.00 1.00 O ATOM 0 H GLY A 690 7.204 7.899 -3.641 1.00 1.00 H new ATOM 0 HA2 GLY A 690 8.175 8.997 -1.775 1.00 1.00 H new ATOM 0 HA3 GLY A 690 8.333 7.466 -0.937 1.00 1.00 H new ATOM 86 N PRO A 691 10.771 8.360 -1.789 1.00 1.00 N ATOM 87 CA PRO A 691 12.205 8.301 -2.202 1.00 1.00 C ATOM 88 C PRO A 691 12.782 6.887 -2.149 1.00 1.00 C ATOM 89 O PRO A 691 12.851 6.269 -1.087 1.00 1.00 O ATOM 90 CB PRO A 691 12.922 9.220 -1.206 1.00 1.00 C ATOM 91 CG PRO A 691 11.999 9.377 -0.041 1.00 1.00 C ATOM 92 CD PRO A 691 10.582 9.138 -0.555 1.00 1.00 C ATOM 0 HA PRO A 691 12.329 8.610 -3.240 1.00 1.00 H new ATOM 0 HB2 PRO A 691 13.873 8.788 -0.893 1.00 1.00 H new ATOM 0 HB3 PRO A 691 13.144 10.186 -1.659 1.00 1.00 H new ATOM 0 HG2 PRO A 691 12.248 8.666 0.746 1.00 1.00 H new ATOM 0 HG3 PRO A 691 12.089 10.374 0.390 1.00 1.00 H new ATOM 0 HD2 PRO A 691 9.982 8.591 0.172 1.00 1.00 H new ATOM 0 HD3 PRO A 691 10.066 10.078 -0.752 1.00 1.00 H new ATOM 100 N ASP A 692 13.213 6.395 -3.308 1.00 1.00 N ATOM 101 CA ASP A 692 13.806 5.064 -3.399 1.00 1.00 C ATOM 102 C ASP A 692 15.326 5.169 -3.365 1.00 1.00 C ATOM 103 O ASP A 692 16.041 4.166 -3.345 1.00 1.00 O ATOM 104 CB ASP A 692 13.368 4.377 -4.692 1.00 1.00 C ATOM 105 CG ASP A 692 11.875 4.074 -4.638 1.00 1.00 C ATOM 106 OD1 ASP A 692 11.340 4.028 -3.543 1.00 1.00 O ATOM 107 OD2 ASP A 692 11.288 3.893 -5.693 1.00 1.00 O ATOM 0 H ASP A 692 13.163 6.897 -4.195 1.00 1.00 H new ATOM 0 HA ASP A 692 13.466 4.472 -2.550 1.00 1.00 H new ATOM 0 HB2 ASP A 692 13.587 5.017 -5.547 1.00 1.00 H new ATOM 0 HB3 ASP A 692 13.931 3.454 -4.832 1.00 1.00 H new ATOM 112 N ILE A 693 15.800 6.408 -3.352 1.00 1.00 N ATOM 113 CA ILE A 693 17.228 6.675 -3.314 1.00 1.00 C ATOM 114 C ILE A 693 17.829 6.064 -2.050 1.00 1.00 C ATOM 115 O ILE A 693 18.993 5.661 -2.038 1.00 1.00 O ATOM 116 CB ILE A 693 17.486 8.185 -3.359 1.00 1.00 C ATOM 117 CG1 ILE A 693 18.986 8.446 -3.526 1.00 1.00 C ATOM 118 CG2 ILE A 693 16.999 8.829 -2.063 1.00 1.00 C ATOM 119 CD1 ILE A 693 19.217 9.914 -3.891 1.00 1.00 C ATOM 0 H ILE A 693 15.214 7.243 -3.367 1.00 1.00 H new ATOM 0 HA ILE A 693 17.702 6.222 -4.185 1.00 1.00 H new ATOM 0 HB ILE A 693 16.946 8.616 -4.202 1.00 1.00 H new ATOM 0 HG12 ILE A 693 19.512 8.204 -2.603 1.00 1.00 H new ATOM 0 HG13 ILE A 693 19.393 7.800 -4.304 1.00 1.00 H new ATOM 0 HG21 ILE A 693 17.184 9.903 -2.098 1.00 1.00 H new ATOM 0 HG22 ILE A 693 15.930 8.649 -1.946 1.00 1.00 H new ATOM 0 HG23 ILE A 693 17.535 8.396 -1.218 1.00 1.00 H new ATOM 0 HD11 ILE A 693 20.285 10.096 -4.009 1.00 1.00 H new ATOM 0 HD12 ILE A 693 18.705 10.141 -4.826 1.00 1.00 H new ATOM 0 HD13 ILE A 693 18.826 10.552 -3.098 1.00 1.00 H new ATOM 131 N LEU A 694 17.023 5.987 -0.992 1.00 1.00 N ATOM 132 CA LEU A 694 17.487 5.411 0.270 1.00 1.00 C ATOM 133 C LEU A 694 17.869 3.946 0.086 1.00 1.00 C ATOM 134 O LEU A 694 18.883 3.487 0.612 1.00 1.00 O ATOM 135 CB LEU A 694 16.386 5.487 1.335 1.00 1.00 C ATOM 136 CG LEU A 694 16.437 6.821 2.093 1.00 1.00 C ATOM 137 CD1 LEU A 694 16.068 7.981 1.170 1.00 1.00 C ATOM 138 CD2 LEU A 694 15.441 6.772 3.252 1.00 1.00 C ATOM 0 H LEU A 694 16.056 6.312 -0.982 1.00 1.00 H new ATOM 0 HA LEU A 694 18.357 5.984 0.590 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.411 5.372 0.862 1.00 1.00 H new ATOM 0 HB3 LEU A 694 16.499 4.662 2.038 1.00 1.00 H new ATOM 0 HG LEU A 694 17.450 6.976 2.465 1.00 1.00 H new ATOM 0 HD11 LEU A 694 16.110 8.917 1.727 1.00 1.00 H new ATOM 0 HD12 LEU A 694 16.771 8.022 0.338 1.00 1.00 H new ATOM 0 HD13 LEU A 694 15.059 7.833 0.785 1.00 1.00 H new ATOM 0 HD21 LEU A 694 15.470 7.716 3.797 1.00 1.00 H new ATOM 0 HD22 LEU A 694 14.436 6.609 2.862 1.00 1.00 H new ATOM 0 HD23 LEU A 694 15.706 5.956 3.925 1.00 1.00 H new ATOM 150 N VAL A 695 17.042 3.215 -0.651 1.00 1.00 N ATOM 151 CA VAL A 695 17.278 1.797 -0.893 1.00 1.00 C ATOM 152 C VAL A 695 18.542 1.577 -1.717 1.00 1.00 C ATOM 153 O VAL A 695 19.325 0.670 -1.438 1.00 1.00 O ATOM 154 CB VAL A 695 16.076 1.187 -1.618 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.366 -0.278 -1.948 1.00 1.00 C ATOM 156 CG2 VAL A 695 14.842 1.271 -0.717 1.00 1.00 C ATOM 0 H VAL A 695 16.199 3.582 -1.093 1.00 1.00 H new ATOM 0 HA VAL A 695 17.413 1.308 0.072 1.00 1.00 H new ATOM 0 HB VAL A 695 15.892 1.737 -2.541 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.509 -0.711 -2.464 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.245 -0.339 -2.589 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.551 -0.829 -1.026 1.00 1.00 H new ATOM 0 HG21 VAL A 695 13.985 0.837 -1.232 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.027 0.721 0.206 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.633 2.315 -0.482 1.00 1.00 H new ATOM 166 N VAL A 696 18.737 2.411 -2.735 1.00 1.00 N ATOM 167 CA VAL A 696 19.916 2.274 -3.580 1.00 1.00 C ATOM 168 C VAL A 696 21.184 2.464 -2.754 1.00 1.00 C ATOM 169 O VAL A 696 22.135 1.693 -2.866 1.00 1.00 O ATOM 170 CB VAL A 696 19.894 3.310 -4.707 1.00 1.00 C ATOM 171 CG1 VAL A 696 21.232 3.276 -5.452 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.760 2.988 -5.682 1.00 1.00 C ATOM 0 H VAL A 696 18.108 3.173 -2.990 1.00 1.00 H new ATOM 0 HA VAL A 696 19.907 1.273 -4.011 1.00 1.00 H new ATOM 0 HB VAL A 696 19.734 4.302 -4.284 1.00 1.00 H new ATOM 0 HG11 VAL A 696 21.220 4.013 -6.255 1.00 1.00 H new ATOM 0 HG12 VAL A 696 22.040 3.508 -4.759 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.389 2.283 -5.873 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.748 3.728 -6.483 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.916 1.996 -6.106 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.808 3.011 -5.153 1.00 1.00 H new ATOM 182 N LEU A 697 21.186 3.512 -1.937 1.00 1.00 N ATOM 183 CA LEU A 697 22.351 3.809 -1.107 1.00 1.00 C ATOM 184 C LEU A 697 22.626 2.683 -0.117 1.00 1.00 C ATOM 185 O LEU A 697 23.777 2.297 0.090 1.00 1.00 O ATOM 186 CB LEU A 697 22.129 5.116 -0.339 1.00 1.00 C ATOM 187 CG LEU A 697 22.125 6.303 -1.312 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.766 7.578 -0.552 1.00 1.00 C ATOM 189 CD2 LEU A 697 23.508 6.470 -1.955 1.00 1.00 C ATOM 0 H LEU A 697 20.407 4.162 -1.831 1.00 1.00 H new ATOM 0 HA LEU A 697 23.213 3.910 -1.766 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.183 5.074 0.200 1.00 1.00 H new ATOM 0 HB3 LEU A 697 22.914 5.248 0.405 1.00 1.00 H new ATOM 0 HG LEU A 697 21.390 6.116 -2.095 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.762 8.423 -1.240 1.00 1.00 H new ATOM 0 HD12 LEU A 697 20.778 7.469 -0.106 1.00 1.00 H new ATOM 0 HD13 LEU A 697 22.502 7.753 0.233 1.00 1.00 H new ATOM 0 HD21 LEU A 697 23.490 7.316 -2.643 1.00 1.00 H new ATOM 0 HD22 LEU A 697 24.251 6.650 -1.178 1.00 1.00 H new ATOM 0 HD23 LEU A 697 23.767 5.563 -2.502 1.00 1.00 H new ATOM 201 N LEU A 698 21.570 2.160 0.492 1.00 1.00 N ATOM 202 CA LEU A 698 21.712 1.077 1.457 1.00 1.00 C ATOM 203 C LEU A 698 22.294 -0.168 0.798 1.00 1.00 C ATOM 204 O LEU A 698 23.144 -0.849 1.371 1.00 1.00 O ATOM 205 CB LEU A 698 20.355 0.767 2.085 1.00 1.00 C ATOM 206 CG LEU A 698 19.974 1.918 3.023 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.502 1.800 3.417 1.00 1.00 C ATOM 208 CD2 LEU A 698 20.845 1.885 4.291 1.00 1.00 C ATOM 0 H LEU A 698 20.610 2.466 0.336 1.00 1.00 H new ATOM 0 HA LEU A 698 22.403 1.394 2.238 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.599 0.645 1.310 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.400 -0.172 2.637 1.00 1.00 H new ATOM 0 HG LEU A 698 20.139 2.861 2.501 1.00 1.00 H new ATOM 0 HD11 LEU A 698 18.237 2.621 4.084 1.00 1.00 H new ATOM 0 HD12 LEU A 698 17.881 1.844 2.522 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.337 0.851 3.927 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.563 2.708 4.948 1.00 1.00 H new ATOM 0 HD22 LEU A 698 20.695 0.939 4.811 1.00 1.00 H new ATOM 0 HD23 LEU A 698 21.895 1.985 4.014 1.00 1.00 H new ATOM 220 N SER A 699 21.842 -0.443 -0.423 1.00 1.00 N ATOM 221 CA SER A 699 22.328 -1.590 -1.180 1.00 1.00 C ATOM 222 C SER A 699 23.795 -1.393 -1.548 1.00 1.00 C ATOM 223 O SER A 699 24.589 -2.333 -1.506 1.00 1.00 O ATOM 224 CB SER A 699 21.497 -1.764 -2.454 1.00 1.00 C ATOM 225 OG SER A 699 20.117 -1.789 -2.114 1.00 1.00 O ATOM 0 H SER A 699 21.139 0.114 -0.908 1.00 1.00 H new ATOM 0 HA SER A 699 22.233 -2.483 -0.563 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.698 -0.947 -3.148 1.00 1.00 H new ATOM 0 HB3 SER A 699 21.776 -2.688 -2.960 1.00 1.00 H new ATOM 0 HG SER A 699 19.767 -0.874 -2.098 1.00 1.00 H new ATOM 231 N VAL A 700 24.137 -0.164 -1.915 1.00 1.00 N ATOM 232 CA VAL A 700 25.507 0.153 -2.299 1.00 1.00 C ATOM 233 C VAL A 700 26.470 -0.043 -1.131 1.00 1.00 C ATOM 234 O VAL A 700 27.546 -0.617 -1.298 1.00 1.00 O ATOM 235 CB VAL A 700 25.584 1.599 -2.786 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.044 1.978 -3.039 1.00 1.00 C ATOM 237 CG2 VAL A 700 24.787 1.739 -4.086 1.00 1.00 C ATOM 0 H VAL A 700 23.490 0.624 -1.955 1.00 1.00 H new ATOM 0 HA VAL A 700 25.799 -0.525 -3.101 1.00 1.00 H new ATOM 0 HB VAL A 700 25.166 2.261 -2.028 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.097 3.010 -3.386 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.612 1.877 -2.114 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.465 1.318 -3.797 1.00 1.00 H new ATOM 0 HG21 VAL A 700 24.840 2.770 -4.436 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.207 1.077 -4.843 1.00 1.00 H new ATOM 0 HG23 VAL A 700 23.746 1.470 -3.905 1.00 1.00 H new ATOM 247 N MET A 701 26.091 0.461 0.040 1.00 1.00 N ATOM 248 CA MET A 701 26.951 0.363 1.214 1.00 1.00 C ATOM 249 C MET A 701 27.213 -1.087 1.600 1.00 1.00 C ATOM 250 O MET A 701 28.338 -1.445 1.950 1.00 1.00 O ATOM 251 CB MET A 701 26.314 1.105 2.393 1.00 1.00 C ATOM 252 CG MET A 701 26.484 2.613 2.191 1.00 1.00 C ATOM 253 SD MET A 701 25.701 3.508 3.559 1.00 1.00 S ATOM 254 CE MET A 701 26.861 3.037 4.869 1.00 1.00 C ATOM 0 H MET A 701 25.203 0.937 0.200 1.00 1.00 H new ATOM 0 HA MET A 701 27.907 0.822 0.964 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.256 0.853 2.468 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.782 0.796 3.328 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.543 2.865 2.138 1.00 1.00 H new ATOM 0 HG3 MET A 701 26.037 2.915 1.244 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.845 3.790 5.657 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.569 2.072 5.284 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.867 2.965 4.456 1.00 1.00 H new ATOM 264 N GLY A 702 26.184 -1.925 1.534 1.00 1.00 N ATOM 265 CA GLY A 702 26.349 -3.327 1.887 1.00 1.00 C ATOM 266 C GLY A 702 27.225 -4.055 0.874 1.00 1.00 C ATOM 267 O GLY A 702 28.102 -4.831 1.246 1.00 1.00 O ATOM 0 H GLY A 702 25.242 -1.662 1.244 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.795 -3.404 2.878 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.372 -3.808 1.939 1.00 1.00 H new ATOM 271 N ALA A 703 26.969 -3.819 -0.408 1.00 1.00 N ATOM 272 CA ALA A 703 27.726 -4.485 -1.462 1.00 1.00 C ATOM 273 C ALA A 703 29.225 -4.217 -1.338 1.00 1.00 C ATOM 274 O ALA A 703 30.036 -5.136 -1.440 1.00 1.00 O ATOM 275 CB ALA A 703 27.231 -4.026 -2.836 1.00 1.00 C ATOM 0 H ALA A 703 26.249 -3.177 -0.741 1.00 1.00 H new ATOM 0 HA ALA A 703 27.566 -5.558 -1.354 1.00 1.00 H new ATOM 0 HB1 ALA A 703 27.803 -4.529 -3.616 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.175 -4.273 -2.944 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.362 -2.948 -2.929 1.00 1.00 H new ATOM 281 N ILE A 704 29.576 -2.954 -1.098 1.00 1.00 N ATOM 282 CA ILE A 704 30.980 -2.575 -0.943 1.00 1.00 C ATOM 283 C ILE A 704 31.568 -3.256 0.292 1.00 1.00 C ATOM 284 O ILE A 704 32.693 -3.758 0.271 1.00 1.00 O ATOM 285 CB ILE A 704 31.099 -1.050 -0.786 1.00 1.00 C ATOM 286 CG1 ILE A 704 30.688 -0.340 -2.091 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.537 -0.662 -0.417 1.00 1.00 C ATOM 288 CD1 ILE A 704 31.565 -0.785 -3.271 1.00 1.00 C ATOM 0 H ILE A 704 28.915 -2.183 -1.007 1.00 1.00 H new ATOM 0 HA ILE A 704 31.529 -2.891 -1.830 1.00 1.00 H new ATOM 0 HB ILE A 704 30.429 -0.736 0.014 1.00 1.00 H new ATOM 0 HG12 ILE A 704 29.643 -0.556 -2.311 1.00 1.00 H new ATOM 0 HG13 ILE A 704 30.770 0.739 -1.961 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.606 0.420 -0.309 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.812 -1.138 0.524 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.216 -0.992 -1.203 1.00 1.00 H new ATOM 0 HD11 ILE A 704 31.249 -0.266 -4.176 1.00 1.00 H new ATOM 0 HD12 ILE A 704 32.607 -0.545 -3.060 1.00 1.00 H new ATOM 0 HD13 ILE A 704 31.462 -1.860 -3.415 1.00 1.00 H new ATOM 300 N LEU A 705 30.793 -3.253 1.368 1.00 1.00 N ATOM 301 CA LEU A 705 31.216 -3.855 2.625 1.00 1.00 C ATOM 302 C LEU A 705 31.409 -5.367 2.494 1.00 1.00 C ATOM 303 O LEU A 705 32.360 -5.922 3.043 1.00 1.00 O ATOM 304 CB LEU A 705 30.168 -3.554 3.700 1.00 1.00 C ATOM 305 CG LEU A 705 30.559 -4.223 5.019 1.00 1.00 C ATOM 306 CD1 LEU A 705 30.292 -3.256 6.174 1.00 1.00 C ATOM 307 CD2 LEU A 705 29.717 -5.489 5.220 1.00 1.00 C ATOM 0 H LEU A 705 29.862 -2.837 1.395 1.00 1.00 H new ATOM 0 HA LEU A 705 32.178 -3.426 2.905 1.00 1.00 H new ATOM 0 HB2 LEU A 705 30.081 -2.477 3.842 1.00 1.00 H new ATOM 0 HB3 LEU A 705 29.191 -3.913 3.377 1.00 1.00 H new ATOM 0 HG LEU A 705 31.616 -4.486 4.993 1.00 1.00 H new ATOM 0 HD11 LEU A 705 30.569 -3.729 7.116 1.00 1.00 H new ATOM 0 HD12 LEU A 705 30.883 -2.351 6.035 1.00 1.00 H new ATOM 0 HD13 LEU A 705 29.233 -2.998 6.195 1.00 1.00 H new ATOM 0 HD21 LEU A 705 29.996 -5.966 6.160 1.00 1.00 H new ATOM 0 HD22 LEU A 705 28.660 -5.223 5.247 1.00 1.00 H new ATOM 0 HD23 LEU A 705 29.896 -6.180 4.396 1.00 1.00 H new ATOM 319 N LEU A 706 30.498 -6.039 1.789 1.00 1.00 N ATOM 320 CA LEU A 706 30.578 -7.490 1.629 1.00 1.00 C ATOM 321 C LEU A 706 31.838 -7.941 0.888 1.00 1.00 C ATOM 322 O LEU A 706 32.497 -8.898 1.294 1.00 1.00 O ATOM 323 CB LEU A 706 29.351 -7.993 0.861 1.00 1.00 C ATOM 324 CG LEU A 706 28.103 -7.929 1.753 1.00 1.00 C ATOM 325 CD1 LEU A 706 26.861 -8.176 0.895 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.181 -8.994 2.855 1.00 1.00 C ATOM 0 H LEU A 706 29.702 -5.605 1.323 1.00 1.00 H new ATOM 0 HA LEU A 706 30.614 -7.913 2.633 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.199 -7.388 -0.033 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.516 -9.018 0.528 1.00 1.00 H new ATOM 0 HG LEU A 706 28.046 -6.945 2.218 1.00 1.00 H new ATOM 0 HD11 LEU A 706 25.971 -8.132 1.522 1.00 1.00 H new ATOM 0 HD12 LEU A 706 26.797 -7.413 0.120 1.00 1.00 H new ATOM 0 HD13 LEU A 706 26.929 -9.160 0.431 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.290 -8.937 3.480 1.00 1.00 H new ATOM 0 HD22 LEU A 706 28.243 -9.983 2.401 1.00 1.00 H new ATOM 0 HD23 LEU A 706 29.065 -8.819 3.468 1.00 1.00 H new ATOM 338 N ILE A 707 32.169 -7.241 -0.197 1.00 1.00 N ATOM 339 CA ILE A 707 33.359 -7.589 -0.969 1.00 1.00 C ATOM 340 C ILE A 707 34.621 -7.346 -0.145 1.00 1.00 C ATOM 341 O ILE A 707 35.568 -8.130 -0.196 1.00 1.00 O ATOM 342 CB ILE A 707 33.417 -6.803 -2.285 1.00 1.00 C ATOM 343 CG1 ILE A 707 33.330 -5.298 -2.008 1.00 1.00 C ATOM 344 CG2 ILE A 707 32.249 -7.237 -3.177 1.00 1.00 C ATOM 345 CD1 ILE A 707 33.580 -4.516 -3.298 1.00 1.00 C ATOM 0 H ILE A 707 31.641 -6.445 -0.555 1.00 1.00 H new ATOM 0 HA ILE A 707 33.301 -8.649 -1.214 1.00 1.00 H new ATOM 0 HB ILE A 707 34.362 -7.008 -2.788 1.00 1.00 H new ATOM 0 HG12 ILE A 707 32.348 -5.050 -1.606 1.00 1.00 H new ATOM 0 HG13 ILE A 707 34.064 -5.015 -1.253 1.00 1.00 H new ATOM 0 HG21 ILE A 707 32.282 -6.683 -4.115 1.00 1.00 H new ATOM 0 HG22 ILE A 707 32.326 -8.305 -3.383 1.00 1.00 H new ATOM 0 HG23 ILE A 707 31.307 -7.032 -2.668 1.00 1.00 H new ATOM 0 HD11 ILE A 707 33.517 -3.447 -3.094 1.00 1.00 H new ATOM 0 HD12 ILE A 707 34.572 -4.754 -3.681 1.00 1.00 H new ATOM 0 HD13 ILE A 707 32.830 -4.789 -4.040 1.00 1.00 H new ATOM 357 N GLY A 708 34.623 -6.254 0.618 1.00 1.00 N ATOM 358 CA GLY A 708 35.770 -5.920 1.453 1.00 1.00 C ATOM 359 C GLY A 708 36.040 -7.041 2.445 1.00 1.00 C ATOM 360 O GLY A 708 37.190 -7.413 2.679 1.00 1.00 O ATOM 0 H GLY A 708 33.849 -5.592 0.674 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.649 -5.757 0.829 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.582 -4.989 1.987 1.00 1.00 H new ATOM 364 N LEU A 709 34.970 -7.579 3.021 1.00 1.00 N ATOM 365 CA LEU A 709 35.108 -8.663 3.982 1.00 1.00 C ATOM 366 C LEU A 709 35.736 -9.878 3.305 1.00 1.00 C ATOM 367 O LEU A 709 36.636 -10.506 3.852 1.00 1.00 O ATOM 368 CB LEU A 709 33.733 -9.036 4.552 1.00 1.00 C ATOM 369 CG LEU A 709 33.878 -10.131 5.618 1.00 1.00 C ATOM 370 CD1 LEU A 709 34.709 -9.609 6.794 1.00 1.00 C ATOM 371 CD2 LEU A 709 32.488 -10.541 6.116 1.00 1.00 C ATOM 0 H LEU A 709 34.010 -7.286 2.841 1.00 1.00 H new ATOM 0 HA LEU A 709 35.753 -8.335 4.797 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.261 -8.155 4.987 1.00 1.00 H new ATOM 0 HB3 LEU A 709 33.081 -9.383 3.750 1.00 1.00 H new ATOM 0 HG LEU A 709 34.381 -10.994 5.181 1.00 1.00 H new ATOM 0 HD11 LEU A 709 34.807 -10.392 7.546 1.00 1.00 H new ATOM 0 HD12 LEU A 709 35.698 -9.320 6.440 1.00 1.00 H new ATOM 0 HD13 LEU A 709 34.213 -8.744 7.234 1.00 1.00 H new ATOM 0 HD21 LEU A 709 32.588 -11.319 6.873 1.00 1.00 H new ATOM 0 HD22 LEU A 709 31.987 -9.675 6.549 1.00 1.00 H new ATOM 0 HD23 LEU A 709 31.900 -10.921 5.281 1.00 1.00 H new ATOM 383 N ALA A 710 35.261 -10.202 2.108 1.00 1.00 N ATOM 384 CA ALA A 710 35.797 -11.347 1.378 1.00 1.00 C ATOM 385 C ALA A 710 37.274 -11.134 1.065 1.00 1.00 C ATOM 386 O ALA A 710 38.071 -12.072 1.111 1.00 1.00 O ATOM 387 CB ALA A 710 35.025 -11.550 0.075 1.00 1.00 C ATOM 0 H ALA A 710 34.517 -9.697 1.627 1.00 1.00 H new ATOM 0 HA ALA A 710 35.689 -12.233 2.003 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.434 -12.407 -0.461 1.00 1.00 H new ATOM 0 HB2 ALA A 710 33.974 -11.730 0.299 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.116 -10.658 -0.545 1.00 1.00 H new ATOM 393 N ALA A 711 37.628 -9.896 0.746 1.00 1.00 N ATOM 394 CA ALA A 711 39.017 -9.589 0.426 1.00 1.00 C ATOM 395 C ALA A 711 39.920 -9.833 1.632 1.00 1.00 C ATOM 396 O ALA A 711 40.993 -10.421 1.500 1.00 1.00 O ATOM 397 CB ALA A 711 39.145 -8.134 -0.024 1.00 1.00 C ATOM 0 H ALA A 711 36.989 -9.103 0.702 1.00 1.00 H new ATOM 0 HA ALA A 711 39.331 -10.248 -0.384 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.187 -7.916 -0.260 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.531 -7.972 -0.910 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.809 -7.475 0.776 1.00 1.00 H new ATOM 403 N LEU A 712 39.494 -9.362 2.805 1.00 1.00 N ATOM 404 CA LEU A 712 40.289 -9.518 4.020 1.00 1.00 C ATOM 405 C LEU A 712 40.470 -10.988 4.391 1.00 1.00 C ATOM 406 O LEU A 712 41.555 -11.402 4.796 1.00 1.00 O ATOM 407 CB LEU A 712 39.624 -8.756 5.178 1.00 1.00 C ATOM 408 CG LEU A 712 40.485 -8.840 6.449 1.00 1.00 C ATOM 409 CD1 LEU A 712 41.844 -8.171 6.211 1.00 1.00 C ATOM 410 CD2 LEU A 712 39.764 -8.120 7.592 1.00 1.00 C ATOM 0 H LEU A 712 38.609 -8.873 2.938 1.00 1.00 H new ATOM 0 HA LEU A 712 41.279 -9.103 3.831 1.00 1.00 H new ATOM 0 HB2 LEU A 712 39.481 -7.712 4.898 1.00 1.00 H new ATOM 0 HB3 LEU A 712 38.636 -9.172 5.374 1.00 1.00 H new ATOM 0 HG LEU A 712 40.643 -9.888 6.706 1.00 1.00 H new ATOM 0 HD11 LEU A 712 42.445 -8.236 7.118 1.00 1.00 H new ATOM 0 HD12 LEU A 712 42.361 -8.677 5.395 1.00 1.00 H new ATOM 0 HD13 LEU A 712 41.693 -7.123 5.950 1.00 1.00 H new ATOM 0 HD21 LEU A 712 40.370 -8.176 8.497 1.00 1.00 H new ATOM 0 HD22 LEU A 712 39.609 -7.075 7.323 1.00 1.00 H new ATOM 0 HD23 LEU A 712 38.800 -8.596 7.771 1.00 1.00 H new ATOM 422 N LEU A 713 39.399 -11.770 4.270 1.00 1.00 N ATOM 423 CA LEU A 713 39.460 -13.188 4.623 1.00 1.00 C ATOM 424 C LEU A 713 40.439 -13.958 3.741 1.00 1.00 C ATOM 425 O LEU A 713 41.230 -14.760 4.232 1.00 1.00 O ATOM 426 CB LEU A 713 38.066 -13.821 4.534 1.00 1.00 C ATOM 427 CG LEU A 713 37.338 -13.722 5.892 1.00 1.00 C ATOM 428 CD1 LEU A 713 37.951 -14.712 6.888 1.00 1.00 C ATOM 429 CD2 LEU A 713 37.445 -12.304 6.467 1.00 1.00 C ATOM 0 H LEU A 713 38.490 -11.452 3.935 1.00 1.00 H new ATOM 0 HA LEU A 713 39.822 -13.249 5.649 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.481 -13.319 3.764 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.153 -14.866 4.237 1.00 1.00 H new ATOM 0 HG LEU A 713 36.287 -13.961 5.730 1.00 1.00 H new ATOM 0 HD11 LEU A 713 37.432 -14.636 7.843 1.00 1.00 H new ATOM 0 HD12 LEU A 713 37.852 -15.726 6.501 1.00 1.00 H new ATOM 0 HD13 LEU A 713 39.006 -14.479 7.029 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.925 -12.259 7.424 1.00 1.00 H new ATOM 0 HD22 LEU A 713 38.495 -12.049 6.613 1.00 1.00 H new ATOM 0 HD23 LEU A 713 36.992 -11.595 5.774 1.00 1.00 H new ATOM 441 N ILE A 714 40.407 -13.685 2.441 1.00 1.00 N ATOM 442 CA ILE A 714 41.328 -14.338 1.521 1.00 1.00 C ATOM 443 C ILE A 714 42.757 -13.921 1.856 1.00 1.00 C ATOM 444 O ILE A 714 43.669 -14.745 1.881 1.00 1.00 O ATOM 445 CB ILE A 714 40.998 -13.952 0.077 1.00 1.00 C ATOM 446 CG1 ILE A 714 39.654 -14.579 -0.317 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.098 -14.468 -0.850 1.00 1.00 C ATOM 448 CD1 ILE A 714 39.171 -14.010 -1.657 1.00 1.00 C ATOM 0 H ILE A 714 39.762 -13.025 2.006 1.00 1.00 H new ATOM 0 HA ILE A 714 41.230 -15.419 1.623 1.00 1.00 H new ATOM 0 HB ILE A 714 40.933 -12.867 -0.010 1.00 1.00 H new ATOM 0 HG12 ILE A 714 39.758 -15.662 -0.391 1.00 1.00 H new ATOM 0 HG13 ILE A 714 38.913 -14.382 0.457 1.00 1.00 H new ATOM 0 HG21 ILE A 714 41.865 -14.194 -1.879 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.052 -14.025 -0.564 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.163 -15.553 -0.769 1.00 1.00 H new ATOM 0 HD11 ILE A 714 38.217 -14.465 -1.923 1.00 1.00 H new ATOM 0 HD12 ILE A 714 39.047 -12.931 -1.570 1.00 1.00 H new ATOM 0 HD13 ILE A 714 39.906 -14.230 -2.432 1.00 1.00 H new ATOM 460 N TRP A 715 42.936 -12.631 2.122 1.00 1.00 N ATOM 461 CA TRP A 715 44.272 -12.153 2.463 1.00 1.00 C ATOM 462 C TRP A 715 44.809 -12.988 3.625 1.00 1.00 C ATOM 463 O TRP A 715 45.934 -13.492 3.591 1.00 1.00 O ATOM 464 CB TRP A 715 44.206 -10.676 2.878 1.00 1.00 C ATOM 465 CG TRP A 715 45.565 -10.162 3.282 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.757 -10.776 3.059 1.00 1.00 C ATOM 467 CD2 TRP A 715 45.877 -8.938 4.015 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.769 -9.996 3.590 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.279 -8.859 4.194 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.085 -7.897 4.534 1.00 1.00 C ATOM 471 CZ2 TRP A 715 47.872 -7.787 4.861 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.679 -6.818 5.208 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.070 -6.764 5.373 1.00 1.00 C ATOM 0 H TRP A 715 42.204 -11.921 2.110 1.00 1.00 H new ATOM 0 HA TRP A 715 44.930 -12.248 1.599 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.820 -10.080 2.051 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.509 -10.559 3.708 1.00 1.00 H new ATOM 0 HD1 TRP A 715 46.892 -11.719 2.550 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.759 -10.234 3.540 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.012 -7.928 4.413 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 48.945 -7.748 4.981 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 45.061 -6.025 5.602 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.521 -5.933 5.895 1.00 1.00 H new ATOM 484 N LYS A 716 43.981 -13.126 4.656 1.00 1.00 N ATOM 485 CA LYS A 716 44.355 -13.888 5.842 1.00 1.00 C ATOM 486 C LYS A 716 44.654 -15.336 5.468 1.00 1.00 C ATOM 487 O LYS A 716 45.548 -15.962 6.037 1.00 1.00 O ATOM 488 CB LYS A 716 43.197 -13.853 6.855 1.00 1.00 C ATOM 489 CG LYS A 716 43.556 -14.500 8.215 1.00 1.00 C ATOM 490 CD LYS A 716 44.342 -13.567 9.182 1.00 1.00 C ATOM 491 CE LYS A 716 45.793 -13.315 8.758 1.00 1.00 C ATOM 492 NZ LYS A 716 46.544 -12.756 9.918 1.00 1.00 N ATOM 0 H LYS A 716 43.046 -12.720 4.694 1.00 1.00 H new ATOM 0 HA LYS A 716 45.248 -13.444 6.282 1.00 1.00 H new ATOM 0 HB2 LYS A 716 42.899 -12.818 7.020 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.336 -14.369 6.431 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.637 -14.820 8.705 1.00 1.00 H new ATOM 0 HG3 LYS A 716 44.149 -15.396 8.032 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.823 -12.611 9.251 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.336 -14.006 10.180 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.254 -14.244 8.422 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.825 -12.621 7.918 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.531 -12.581 9.641 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 46.105 -11.862 10.218 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.521 -13.434 10.706 1.00 1.00 H new ATOM 506 N LEU A 717 43.896 -15.860 4.514 1.00 1.00 N ATOM 507 CA LEU A 717 44.083 -17.237 4.080 1.00 1.00 C ATOM 508 C LEU A 717 45.491 -17.429 3.520 1.00 1.00 C ATOM 509 O LEU A 717 46.125 -18.448 3.789 1.00 1.00 O ATOM 510 CB LEU A 717 43.053 -17.592 3.007 1.00 1.00 C ATOM 511 CG LEU A 717 42.890 -19.109 2.954 1.00 1.00 C ATOM 512 CD1 LEU A 717 41.828 -19.546 3.968 1.00 1.00 C ATOM 513 CD2 LEU A 717 42.459 -19.538 1.549 1.00 1.00 C ATOM 0 H LEU A 717 43.152 -15.357 4.030 1.00 1.00 H new ATOM 0 HA LEU A 717 43.949 -17.893 4.940 1.00 1.00 H new ATOM 0 HB2 LEU A 717 42.097 -17.119 3.232 1.00 1.00 H new ATOM 0 HB3 LEU A 717 43.375 -17.214 2.037 1.00 1.00 H new ATOM 0 HG LEU A 717 43.843 -19.579 3.197 1.00 1.00 H new ATOM 0 HD11 LEU A 717 41.712 -20.629 3.930 1.00 1.00 H new ATOM 0 HD12 LEU A 717 42.138 -19.250 4.970 1.00 1.00 H new ATOM 0 HD13 LEU A 717 40.877 -19.071 3.727 1.00 1.00 H new ATOM 0 HD21 LEU A 717 42.345 -20.622 1.518 1.00 1.00 H new ATOM 0 HD22 LEU A 717 41.509 -19.066 1.300 1.00 1.00 H new ATOM 0 HD23 LEU A 717 43.216 -19.233 0.827 1.00 1.00 H new ATOM 525 N LEU A 718 45.975 -16.485 2.721 1.00 1.00 N ATOM 526 CA LEU A 718 47.302 -16.649 2.132 1.00 1.00 C ATOM 527 C LEU A 718 48.382 -16.737 3.204 1.00 1.00 C ATOM 528 O LEU A 718 49.223 -17.637 3.186 1.00 1.00 O ATOM 529 CB LEU A 718 47.623 -15.477 1.197 1.00 1.00 C ATOM 530 CG LEU A 718 47.116 -15.768 -0.222 1.00 1.00 C ATOM 531 CD1 LEU A 718 45.590 -15.853 -0.224 1.00 1.00 C ATOM 532 CD2 LEU A 718 47.562 -14.640 -1.155 1.00 1.00 C ATOM 0 H LEU A 718 45.489 -15.624 2.471 1.00 1.00 H new ATOM 0 HA LEU A 718 47.291 -17.581 1.567 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.161 -14.565 1.575 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.699 -15.304 1.177 1.00 1.00 H new ATOM 0 HG LEU A 718 47.527 -16.718 -0.564 1.00 1.00 H new ATOM 0 HD11 LEU A 718 45.238 -16.060 -1.235 1.00 1.00 H new ATOM 0 HD12 LEU A 718 45.269 -16.654 0.443 1.00 1.00 H new ATOM 0 HD13 LEU A 718 45.172 -14.906 0.119 1.00 1.00 H new ATOM 0 HD21 LEU A 718 47.205 -14.841 -2.165 1.00 1.00 H new ATOM 0 HD22 LEU A 718 47.149 -13.694 -0.805 1.00 1.00 H new ATOM 0 HD23 LEU A 718 48.650 -14.581 -1.160 1.00 1.00 H new ATOM 544 N ILE A 719 48.367 -15.773 4.115 1.00 1.00 N ATOM 545 CA ILE A 719 49.353 -15.692 5.186 1.00 1.00 C ATOM 546 C ILE A 719 49.224 -16.818 6.211 1.00 1.00 C ATOM 547 O ILE A 719 50.232 -17.385 6.637 1.00 1.00 O ATOM 548 CB ILE A 719 49.205 -14.344 5.896 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.604 -13.221 4.936 1.00 1.00 C ATOM 550 CG2 ILE A 719 50.115 -14.303 7.124 1.00 1.00 C ATOM 551 CD1 ILE A 719 49.172 -11.872 5.518 1.00 1.00 C ATOM 0 H ILE A 719 47.673 -15.026 4.133 1.00 1.00 H new ATOM 0 HA ILE A 719 50.337 -15.793 4.727 1.00 1.00 H new ATOM 0 HB ILE A 719 48.169 -14.214 6.209 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.682 -13.231 4.776 1.00 1.00 H new ATOM 0 HG13 ILE A 719 49.136 -13.376 3.964 1.00 1.00 H new ATOM 0 HG21 ILE A 719 50.006 -13.342 7.626 1.00 1.00 H new ATOM 0 HG22 ILE A 719 49.837 -15.104 7.810 1.00 1.00 H new ATOM 0 HG23 ILE A 719 51.151 -14.435 6.813 1.00 1.00 H new ATOM 0 HD11 ILE A 719 49.457 -11.073 4.834 1.00 1.00 H new ATOM 0 HD12 ILE A 719 48.091 -11.864 5.655 1.00 1.00 H new ATOM 0 HD13 ILE A 719 49.661 -11.717 6.480 1.00 1.00 H new ATOM 563 N THR A 720 48.003 -17.145 6.617 1.00 1.00 N ATOM 564 CA THR A 720 47.807 -18.208 7.596 1.00 1.00 C ATOM 565 C THR A 720 48.284 -19.552 7.050 1.00 1.00 C ATOM 566 O THR A 720 48.956 -20.306 7.753 1.00 1.00 O ATOM 567 CB THR A 720 46.329 -18.310 7.978 1.00 1.00 C ATOM 568 OG1 THR A 720 45.904 -17.082 8.553 1.00 1.00 O ATOM 569 CG2 THR A 720 46.140 -19.441 8.991 1.00 1.00 C ATOM 0 H THR A 720 47.146 -16.698 6.290 1.00 1.00 H new ATOM 0 HA THR A 720 48.396 -17.961 8.479 1.00 1.00 H new ATOM 0 HB THR A 720 45.737 -18.519 7.087 1.00 1.00 H new ATOM 0 HG1 THR A 720 45.833 -16.400 7.853 1.00 1.00 H new ATOM 0 HG21 THR A 720 45.087 -19.514 9.263 1.00 1.00 H new ATOM 0 HG22 THR A 720 46.467 -20.383 8.550 1.00 1.00 H new ATOM 0 HG23 THR A 720 46.732 -19.233 9.883 1.00 1.00 H new ATOM 577 N ILE A 721 47.934 -19.856 5.802 1.00 1.00 N ATOM 578 CA ILE A 721 48.343 -21.128 5.208 1.00 1.00 C ATOM 579 C ILE A 721 49.857 -21.221 5.088 1.00 1.00 C ATOM 580 O ILE A 721 50.458 -22.243 5.415 1.00 1.00 O ATOM 581 CB ILE A 721 47.735 -21.306 3.814 1.00 1.00 C ATOM 582 CG1 ILE A 721 46.222 -21.504 3.930 1.00 1.00 C ATOM 583 CG2 ILE A 721 48.366 -22.534 3.142 1.00 1.00 C ATOM 584 CD1 ILE A 721 45.591 -21.454 2.536 1.00 1.00 C ATOM 0 H ILE A 721 47.380 -19.254 5.193 1.00 1.00 H new ATOM 0 HA ILE A 721 47.982 -21.915 5.870 1.00 1.00 H new ATOM 0 HB ILE A 721 47.932 -20.417 3.214 1.00 1.00 H new ATOM 0 HG12 ILE A 721 46.005 -22.461 4.405 1.00 1.00 H new ATOM 0 HG13 ILE A 721 45.791 -20.729 4.564 1.00 1.00 H new ATOM 0 HG21 ILE A 721 47.937 -22.666 2.149 1.00 1.00 H new ATOM 0 HG22 ILE A 721 49.443 -22.388 3.056 1.00 1.00 H new ATOM 0 HG23 ILE A 721 48.167 -23.421 3.744 1.00 1.00 H new ATOM 0 HD11 ILE A 721 44.513 -21.595 2.619 1.00 1.00 H new ATOM 0 HD12 ILE A 721 45.796 -20.486 2.078 1.00 1.00 H new ATOM 0 HD13 ILE A 721 46.014 -22.245 1.917 1.00 1.00 H new ATOM 596 N HIS A 722 50.466 -20.143 4.609 1.00 1.00 N ATOM 597 CA HIS A 722 51.910 -20.104 4.440 1.00 1.00 C ATOM 598 C HIS A 722 52.594 -20.669 5.676 1.00 1.00 C ATOM 599 O HIS A 722 52.185 -20.394 6.804 1.00 1.00 O ATOM 600 CB HIS A 722 52.365 -18.664 4.194 1.00 1.00 C ATOM 601 CG HIS A 722 51.883 -18.213 2.839 1.00 1.00 C ATOM 602 ND1 HIS A 722 51.165 -18.855 1.859 1.00 1.00 N flip ATOM 603 CD2 HIS A 722 52.135 -16.941 2.349 1.00 1.00 C flip ATOM 604 CE1 HIS A 722 50.974 -17.999 0.781 1.00 1.00 C flip ATOM 605 NE2 HIS A 722 51.578 -16.860 1.125 1.00 1.00 N flip ATOM 0 H HIS A 722 49.983 -19.288 4.332 1.00 1.00 H new ATOM 0 HA HIS A 722 52.186 -20.713 3.579 1.00 1.00 H new ATOM 0 HB2 HIS A 722 51.970 -18.008 4.970 1.00 1.00 H new ATOM 0 HB3 HIS A 722 53.452 -18.600 4.246 1.00 1.00 H new ATOM 0 HD2 HIS A 722 52.679 -16.158 2.856 1.00 1.00 H new ATOM 0 HE1 HIS A 722 50.449 -18.210 -0.139 1.00 1.00 H new ATOM 0 HE2 HIS A 722 51.614 -16.030 0.534 1.00 1.00 H new ATOM 613 N ASP A 723 53.630 -21.469 5.460 1.00 1.00 N ATOM 614 CA ASP A 723 54.353 -22.073 6.569 1.00 1.00 C ATOM 615 C ASP A 723 55.416 -21.115 7.094 1.00 1.00 C ATOM 616 O ASP A 723 56.401 -20.831 6.413 1.00 1.00 O ATOM 617 CB ASP A 723 55.013 -23.373 6.115 1.00 1.00 C ATOM 618 CG ASP A 723 55.692 -24.049 7.301 1.00 1.00 C ATOM 619 OD1 ASP A 723 55.722 -23.446 8.362 1.00 1.00 O ATOM 620 OD2 ASP A 723 56.168 -25.159 7.133 1.00 1.00 O ATOM 0 H ASP A 723 53.985 -21.713 4.535 1.00 1.00 H new ATOM 0 HA ASP A 723 53.645 -22.288 7.369 1.00 1.00 H new ATOM 0 HB2 ASP A 723 54.266 -24.039 5.684 1.00 1.00 H new ATOM 0 HB3 ASP A 723 55.745 -23.167 5.334 1.00 1.00 H new ATOM 625 N ARG A 724 55.204 -20.621 8.309 1.00 1.00 N ATOM 626 CA ARG A 724 56.145 -19.692 8.925 1.00 1.00 C ATOM 627 C ARG A 724 56.517 -20.175 10.324 1.00 1.00 C ATOM 628 O ARG A 724 55.650 -20.567 11.106 1.00 1.00 O ATOM 629 CB ARG A 724 55.518 -18.294 9.012 1.00 1.00 C ATOM 630 CG ARG A 724 56.552 -17.294 9.540 1.00 1.00 C ATOM 631 CD ARG A 724 55.913 -15.912 9.691 1.00 1.00 C ATOM 632 NE ARG A 724 55.562 -15.369 8.384 1.00 1.00 N ATOM 633 CZ ARG A 724 55.049 -14.150 8.267 1.00 1.00 C ATOM 634 NH1 ARG A 724 54.905 -13.401 9.326 1.00 1.00 N ATOM 635 NH2 ARG A 724 54.704 -13.695 7.094 1.00 1.00 N ATOM 0 H ARG A 724 54.393 -20.847 8.885 1.00 1.00 H new ATOM 0 HA ARG A 724 57.045 -19.645 8.312 1.00 1.00 H new ATOM 0 HB2 ARG A 724 55.165 -17.982 8.029 1.00 1.00 H new ATOM 0 HB3 ARG A 724 54.650 -18.315 9.670 1.00 1.00 H new ATOM 0 HG2 ARG A 724 56.939 -17.632 10.501 1.00 1.00 H new ATOM 0 HG3 ARG A 724 57.399 -17.239 8.857 1.00 1.00 H new ATOM 0 HD2 ARG A 724 55.021 -15.983 10.314 1.00 1.00 H new ATOM 0 HD3 ARG A 724 56.604 -15.238 10.198 1.00 1.00 H new ATOM 0 HE ARG A 724 55.713 -15.934 7.548 1.00 1.00 H new ATOM 0 HH11 ARG A 724 55.186 -13.752 10.241 1.00 1.00 H new ATOM 0 HH12 ARG A 724 54.511 -12.464 9.238 1.00 1.00 H new ATOM 0 HH21 ARG A 724 54.828 -14.276 6.265 1.00 1.00 H new ATOM 0 HH22 ARG A 724 54.310 -12.758 7.006 1.00 1.00 H new ATOM 649 N LYS A 725 57.807 -20.142 10.635 1.00 1.00 N ATOM 650 CA LYS A 725 58.277 -20.575 11.944 1.00 1.00 C ATOM 651 C LYS A 725 57.699 -19.680 13.038 1.00 1.00 C ATOM 652 O LYS A 725 57.264 -20.162 14.084 1.00 1.00 O ATOM 653 CB LYS A 725 59.804 -20.527 11.995 1.00 1.00 C ATOM 654 CG LYS A 725 60.283 -21.101 13.329 1.00 1.00 C ATOM 655 CD LYS A 725 61.811 -21.146 13.353 1.00 1.00 C ATOM 656 CE LYS A 725 62.282 -21.740 14.682 1.00 1.00 C ATOM 657 NZ LYS A 725 61.998 -20.777 15.784 1.00 1.00 N ATOM 0 H LYS A 725 58.541 -19.822 10.003 1.00 1.00 H new ATOM 0 HA LYS A 725 57.944 -21.599 12.111 1.00 1.00 H new ATOM 0 HB2 LYS A 725 60.225 -21.098 11.168 1.00 1.00 H new ATOM 0 HB3 LYS A 725 60.151 -19.500 11.882 1.00 1.00 H new ATOM 0 HG2 LYS A 725 59.915 -20.489 14.152 1.00 1.00 H new ATOM 0 HG3 LYS A 725 59.878 -22.103 13.471 1.00 1.00 H new ATOM 0 HD2 LYS A 725 62.181 -21.747 12.522 1.00 1.00 H new ATOM 0 HD3 LYS A 725 62.217 -20.142 13.226 1.00 1.00 H new ATOM 0 HE2 LYS A 725 61.774 -22.686 14.871 1.00 1.00 H new ATOM 0 HE3 LYS A 725 63.350 -21.955 14.639 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 62.546 -21.043 16.627 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 62.267 -19.818 15.485 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 60.983 -20.798 16.010 1.00 1.00 H new ATOM 671 N GLU A 726 57.703 -18.376 12.786 1.00 1.00 N ATOM 672 CA GLU A 726 57.181 -17.415 13.751 1.00 1.00 C ATOM 673 C GLU A 726 57.868 -17.589 15.103 1.00 1.00 C ATOM 674 O GLU A 726 57.435 -18.392 15.931 1.00 1.00 O ATOM 675 CB GLU A 726 55.669 -17.602 13.914 1.00 1.00 C ATOM 676 CG GLU A 726 55.109 -16.486 14.800 1.00 1.00 C ATOM 677 CD GLU A 726 53.592 -16.600 14.889 1.00 1.00 C ATOM 678 OE1 GLU A 726 53.070 -17.625 14.481 1.00 1.00 O ATOM 679 OE2 GLU A 726 52.973 -15.662 15.363 1.00 1.00 O ATOM 0 H GLU A 726 58.060 -17.961 11.925 1.00 1.00 H new ATOM 0 HA GLU A 726 57.382 -16.410 13.380 1.00 1.00 H new ATOM 0 HB2 GLU A 726 55.183 -17.585 12.939 1.00 1.00 H new ATOM 0 HB3 GLU A 726 55.458 -18.574 14.359 1.00 1.00 H new ATOM 0 HG2 GLU A 726 55.545 -16.549 15.797 1.00 1.00 H new ATOM 0 HG3 GLU A 726 55.385 -15.514 14.392 1.00 1.00 H new ATOM 686 N PHE A 727 58.942 -16.832 15.318 1.00 1.00 N ATOM 687 CA PHE A 727 59.689 -16.906 16.572 1.00 1.00 C ATOM 688 C PHE A 727 58.738 -17.041 17.756 1.00 1.00 C ATOM 689 O PHE A 727 58.102 -16.058 18.096 1.00 1.00 O ATOM 690 CB PHE A 727 60.545 -15.648 16.742 1.00 1.00 C ATOM 691 CG PHE A 727 61.437 -15.801 17.950 1.00 1.00 C ATOM 692 CD1 PHE A 727 62.636 -16.518 17.846 1.00 1.00 C ATOM 693 CD2 PHE A 727 61.067 -15.227 19.172 1.00 1.00 C ATOM 694 CE1 PHE A 727 63.464 -16.660 18.964 1.00 1.00 C ATOM 695 CE2 PHE A 727 61.896 -15.371 20.291 1.00 1.00 C ATOM 696 CZ PHE A 727 63.093 -16.088 20.187 1.00 1.00 C ATOM 697 OXT PHE A 727 58.656 -18.129 18.304 1.00 1.00 O ATOM 0 H PHE A 727 59.313 -16.163 14.643 1.00 1.00 H new ATOM 0 HA PHE A 727 60.334 -17.784 16.539 1.00 1.00 H new ATOM 0 HB2 PHE A 727 61.149 -15.484 15.850 1.00 1.00 H new ATOM 0 HB3 PHE A 727 59.905 -14.774 16.859 1.00 1.00 H new ATOM 0 HD1 PHE A 727 62.921 -16.961 16.903 1.00 1.00 H new ATOM 0 HD2 PHE A 727 60.143 -14.674 19.251 1.00 1.00 H new ATOM 0 HE1 PHE A 727 64.390 -17.211 18.884 1.00 1.00 H new ATOM 0 HE2 PHE A 727 61.612 -14.929 21.234 1.00 1.00 H new ATOM 0 HZ PHE A 727 63.731 -16.200 21.051 1.00 1.00 H new TER 707 PHE A 727