USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 SER OG : rot 143:sc= -0.212 USER MOD Set 1.2: A 75 THR OG1 : rot -170:sc= 0.741 USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= 0.435 USER MOD Set 2.2: A 67 SER OG : rot 65:sc= -1.8! USER MOD Set 3.1: A 63 GLN : amide:sc= 1.05 K(o=2.4,f=0.25) USER MOD Set 3.2: A 65 TYR OH : rot 91:sc= 1.32 USER MOD Single : A 12 MET CE :methyl 161:sc= -0.0318 (180deg=-0.542) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= -0.0133 (180deg=-0.0573) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1.04 K(o=-1,f=-0.34) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0799) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 44:sc= 0.801 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 74.374 -2.312 -23.784 1.00 0.00 N ATOM 2 CA GLU A 8 73.802 -3.197 -22.703 1.00 0.00 C ATOM 3 C GLU A 8 74.905 -3.747 -21.786 1.00 0.00 C ATOM 4 O GLU A 8 75.618 -4.668 -22.148 1.00 0.00 O ATOM 5 CB GLU A 8 73.080 -4.344 -23.424 1.00 0.00 C ATOM 6 CG GLU A 8 72.233 -5.129 -22.418 1.00 0.00 C ATOM 7 CD GLU A 8 71.019 -4.296 -22.002 1.00 0.00 C ATOM 8 OE1 GLU A 8 70.408 -3.694 -22.871 1.00 0.00 O ATOM 9 OE2 GLU A 8 70.719 -4.273 -20.819 1.00 0.00 O ATOM 0 HA GLU A 8 73.122 -2.634 -22.064 1.00 0.00 H new ATOM 0 HB2 GLU A 8 72.446 -3.947 -24.217 1.00 0.00 H new ATOM 0 HB3 GLU A 8 73.807 -5.005 -23.897 1.00 0.00 H new ATOM 0 HG2 GLU A 8 71.906 -6.070 -22.860 1.00 0.00 H new ATOM 0 HG3 GLU A 8 72.831 -5.379 -21.542 1.00 0.00 H new ATOM 16 N GLY A 9 75.037 -3.185 -20.605 1.00 0.00 N ATOM 17 CA GLY A 9 76.091 -3.640 -19.648 1.00 0.00 C ATOM 18 C GLY A 9 76.525 -2.463 -18.769 1.00 0.00 C ATOM 19 O GLY A 9 76.038 -1.358 -18.921 1.00 0.00 O ATOM 0 H GLY A 9 74.452 -2.423 -20.263 1.00 0.00 H new ATOM 0 HA2 GLY A 9 75.708 -4.450 -19.027 1.00 0.00 H new ATOM 0 HA3 GLY A 9 76.947 -4.035 -20.194 1.00 0.00 H new ATOM 23 N VAL A 10 77.442 -2.698 -17.848 1.00 0.00 N ATOM 24 CA VAL A 10 77.918 -1.628 -16.895 1.00 0.00 C ATOM 25 C VAL A 10 76.725 -0.933 -16.205 1.00 0.00 C ATOM 26 O VAL A 10 76.255 0.095 -16.660 1.00 0.00 O ATOM 27 CB VAL A 10 78.734 -0.648 -17.765 1.00 0.00 C ATOM 28 CG1 VAL A 10 79.232 0.543 -16.933 1.00 0.00 C ATOM 29 CG2 VAL A 10 79.951 -1.372 -18.352 1.00 0.00 C ATOM 0 H VAL A 10 77.889 -3.605 -17.714 1.00 0.00 H new ATOM 0 HA VAL A 10 78.524 -2.035 -16.086 1.00 0.00 H new ATOM 0 HB VAL A 10 78.085 -0.283 -18.561 1.00 0.00 H new ATOM 0 HG11 VAL A 10 79.804 1.218 -17.570 1.00 0.00 H new ATOM 0 HG12 VAL A 10 78.379 1.076 -16.513 1.00 0.00 H new ATOM 0 HG13 VAL A 10 79.867 0.182 -16.124 1.00 0.00 H new ATOM 0 HG21 VAL A 10 80.526 -0.679 -18.966 1.00 0.00 H new ATOM 0 HG22 VAL A 10 80.578 -1.745 -17.542 1.00 0.00 H new ATOM 0 HG23 VAL A 10 79.616 -2.208 -18.966 1.00 0.00 H new ATOM 39 N ILE A 11 76.250 -1.499 -15.119 1.00 0.00 N ATOM 40 CA ILE A 11 75.070 -0.920 -14.399 1.00 0.00 C ATOM 41 C ILE A 11 75.483 -0.517 -12.978 1.00 0.00 C ATOM 42 O ILE A 11 76.213 -1.230 -12.312 1.00 0.00 O ATOM 43 CB ILE A 11 74.012 -2.045 -14.372 1.00 0.00 C ATOM 44 CG1 ILE A 11 73.608 -2.414 -15.805 1.00 0.00 C ATOM 45 CG2 ILE A 11 72.759 -1.589 -13.609 1.00 0.00 C ATOM 46 CD1 ILE A 11 72.847 -3.741 -15.798 1.00 0.00 C ATOM 0 H ILE A 11 76.633 -2.345 -14.698 1.00 0.00 H new ATOM 0 HA ILE A 11 74.680 -0.026 -14.885 1.00 0.00 H new ATOM 0 HB ILE A 11 74.446 -2.910 -13.870 1.00 0.00 H new ATOM 0 HG12 ILE A 11 72.985 -1.628 -16.232 1.00 0.00 H new ATOM 0 HG13 ILE A 11 74.494 -2.495 -16.434 1.00 0.00 H new ATOM 0 HG21 ILE A 11 72.025 -2.395 -13.601 1.00 0.00 H new ATOM 0 HG22 ILE A 11 73.030 -1.334 -12.584 1.00 0.00 H new ATOM 0 HG23 ILE A 11 72.332 -0.714 -14.100 1.00 0.00 H new ATOM 0 HD11 ILE A 11 72.561 -4.002 -16.817 1.00 0.00 H new ATOM 0 HD12 ILE A 11 73.485 -4.524 -15.389 1.00 0.00 H new ATOM 0 HD13 ILE A 11 71.952 -3.644 -15.183 1.00 0.00 H new ATOM 58 N MET A 12 75.019 0.623 -12.525 1.00 0.00 N ATOM 59 CA MET A 12 75.057 0.931 -11.062 1.00 0.00 C ATOM 60 C MET A 12 73.758 0.456 -10.395 1.00 0.00 C ATOM 61 O MET A 12 72.678 0.624 -10.933 1.00 0.00 O ATOM 62 CB MET A 12 75.239 2.459 -10.942 1.00 0.00 C ATOM 63 CG MET A 12 74.092 3.228 -11.615 1.00 0.00 C ATOM 64 SD MET A 12 74.149 4.960 -11.091 1.00 0.00 S ATOM 65 CE MET A 12 75.651 5.420 -11.991 1.00 0.00 C ATOM 0 H MET A 12 74.614 1.355 -13.108 1.00 0.00 H new ATOM 0 HA MET A 12 75.874 0.416 -10.557 1.00 0.00 H new ATOM 0 HB2 MET A 12 75.293 2.736 -9.889 1.00 0.00 H new ATOM 0 HB3 MET A 12 76.186 2.748 -11.397 1.00 0.00 H new ATOM 0 HG2 MET A 12 74.180 3.161 -12.699 1.00 0.00 H new ATOM 0 HG3 MET A 12 73.133 2.785 -11.345 1.00 0.00 H new ATOM 0 HE1 MET A 12 75.697 6.504 -12.092 1.00 0.00 H new ATOM 0 HE2 MET A 12 76.525 5.070 -11.443 1.00 0.00 H new ATOM 0 HE3 MET A 12 75.636 4.963 -12.981 1.00 0.00 H new ATOM 75 N SER A 13 73.869 -0.147 -9.233 1.00 0.00 N ATOM 76 CA SER A 13 72.662 -0.630 -8.495 1.00 0.00 C ATOM 77 C SER A 13 72.433 0.215 -7.238 1.00 0.00 C ATOM 78 O SER A 13 73.367 0.761 -6.675 1.00 0.00 O ATOM 79 CB SER A 13 72.985 -2.075 -8.117 1.00 0.00 C ATOM 80 OG SER A 13 74.215 -2.112 -7.407 1.00 0.00 O ATOM 0 H SER A 13 74.756 -0.326 -8.762 1.00 0.00 H new ATOM 0 HA SER A 13 71.755 -0.556 -9.094 1.00 0.00 H new ATOM 0 HB2 SER A 13 72.185 -2.490 -7.503 1.00 0.00 H new ATOM 0 HB3 SER A 13 73.051 -2.691 -9.014 1.00 0.00 H new ATOM 0 HG SER A 13 74.162 -2.784 -6.695 1.00 0.00 H new ATOM 86 N GLU A 14 71.196 0.319 -6.803 1.00 0.00 N ATOM 87 CA GLU A 14 70.869 1.172 -5.620 1.00 0.00 C ATOM 88 C GLU A 14 69.662 0.607 -4.865 1.00 0.00 C ATOM 89 O GLU A 14 68.767 0.030 -5.456 1.00 0.00 O ATOM 90 CB GLU A 14 70.534 2.548 -6.203 1.00 0.00 C ATOM 91 CG GLU A 14 71.817 3.369 -6.351 1.00 0.00 C ATOM 92 CD GLU A 14 71.480 4.752 -6.916 1.00 0.00 C ATOM 93 OE1 GLU A 14 70.703 4.814 -7.854 1.00 0.00 O ATOM 94 OE2 GLU A 14 72.008 5.723 -6.402 1.00 0.00 O ATOM 0 H GLU A 14 70.396 -0.155 -7.222 1.00 0.00 H new ATOM 0 HA GLU A 14 71.694 1.215 -4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 14 70.049 2.435 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.830 3.068 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 14 72.309 3.470 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 14 72.515 2.855 -7.012 1.00 0.00 H new ATOM 101 N LEU A 15 69.646 0.771 -3.560 1.00 0.00 N ATOM 102 CA LEU A 15 68.455 0.376 -2.746 1.00 0.00 C ATOM 103 C LEU A 15 68.050 1.525 -1.816 1.00 0.00 C ATOM 104 O LEU A 15 68.866 2.040 -1.072 1.00 0.00 O ATOM 105 CB LEU A 15 68.915 -0.836 -1.934 1.00 0.00 C ATOM 106 CG LEU A 15 67.710 -1.474 -1.239 1.00 0.00 C ATOM 107 CD1 LEU A 15 66.850 -2.202 -2.273 1.00 0.00 C ATOM 108 CD2 LEU A 15 68.199 -2.474 -0.189 1.00 0.00 C ATOM 0 H LEU A 15 70.417 1.166 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 15 67.587 0.145 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.398 -1.563 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.655 -0.531 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 15 67.117 -0.698 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 15 65.992 -2.656 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 15 66.502 -1.491 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 15 67.442 -2.978 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 15 67.342 -2.929 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 15 68.792 -3.250 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 15 68.812 -1.956 0.549 1.00 0.00 H new ATOM 120 N LYS A 16 66.798 1.925 -1.864 1.00 0.00 N ATOM 121 CA LYS A 16 66.310 3.022 -0.971 1.00 0.00 C ATOM 122 C LYS A 16 65.405 2.460 0.128 1.00 0.00 C ATOM 123 O LYS A 16 64.498 1.690 -0.144 1.00 0.00 O ATOM 124 CB LYS A 16 65.519 3.963 -1.884 1.00 0.00 C ATOM 125 CG LYS A 16 66.468 4.982 -2.532 1.00 0.00 C ATOM 126 CD LYS A 16 65.725 6.300 -2.770 1.00 0.00 C ATOM 127 CE LYS A 16 66.613 7.251 -3.575 1.00 0.00 C ATOM 128 NZ LYS A 16 65.676 8.251 -4.158 1.00 0.00 N ATOM 0 H LYS A 16 66.092 1.535 -2.488 1.00 0.00 H new ATOM 0 HA LYS A 16 67.133 3.533 -0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 16 65.006 3.389 -2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.752 4.482 -1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 16 67.331 5.151 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.847 4.591 -3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 16 64.795 6.113 -3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 16 65.457 6.756 -1.817 1.00 0.00 H new ATOM 0 HE2 LYS A 16 67.357 7.731 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 16 67.157 6.718 -4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 66.211 8.939 -4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 64.984 7.766 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 65.177 8.747 -3.392 1.00 0.00 H new ATOM 142 N LEU A 17 65.648 2.853 1.360 1.00 0.00 N ATOM 143 CA LEU A 17 64.850 2.331 2.513 1.00 0.00 C ATOM 144 C LEU A 17 64.186 3.486 3.267 1.00 0.00 C ATOM 145 O LEU A 17 64.675 4.602 3.250 1.00 0.00 O ATOM 146 CB LEU A 17 65.861 1.627 3.422 1.00 0.00 C ATOM 147 CG LEU A 17 66.422 0.390 2.717 1.00 0.00 C ATOM 148 CD1 LEU A 17 67.726 -0.035 3.396 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.405 -0.753 2.806 1.00 0.00 C ATOM 0 H LEU A 17 66.375 3.522 1.615 1.00 0.00 H new ATOM 0 HA LEU A 17 64.057 1.660 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 17 66.671 2.310 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.382 1.337 4.357 1.00 0.00 H new ATOM 0 HG LEU A 17 66.616 0.624 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.127 -0.916 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.450 0.778 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 17 67.532 -0.270 4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 17 65.804 -1.635 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.212 -0.988 3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.475 -0.451 2.324 1.00 0.00 H new ATOM 161 N LYS A 18 63.080 3.219 3.923 1.00 0.00 N ATOM 162 CA LYS A 18 62.455 4.233 4.829 1.00 0.00 C ATOM 163 C LYS A 18 62.250 3.625 6.232 1.00 0.00 C ATOM 164 O LYS A 18 61.690 2.547 6.330 1.00 0.00 O ATOM 165 CB LYS A 18 61.107 4.560 4.185 1.00 0.00 C ATOM 166 CG LYS A 18 60.459 5.739 4.917 1.00 0.00 C ATOM 167 CD LYS A 18 59.179 6.152 4.187 1.00 0.00 C ATOM 168 CE LYS A 18 58.284 6.950 5.137 1.00 0.00 C ATOM 169 NZ LYS A 18 57.012 7.151 4.389 1.00 0.00 N ATOM 0 H LYS A 18 62.580 2.332 3.867 1.00 0.00 H new ATOM 0 HA LYS A 18 63.074 5.122 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.246 4.805 3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.452 3.689 4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.230 5.461 5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.152 6.579 4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 18 59.425 6.753 3.311 1.00 0.00 H new ATOM 0 HD3 LYS A 18 58.651 5.268 3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 18 58.114 6.408 6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 18 58.741 7.903 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 56.346 7.692 4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 57.204 7.675 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 56.597 6.227 4.156 1.00 0.00 H new ATOM 183 N PRO A 19 62.703 4.309 7.280 1.00 0.00 N ATOM 184 CA PRO A 19 62.488 3.794 8.661 1.00 0.00 C ATOM 185 C PRO A 19 61.025 3.981 9.076 1.00 0.00 C ATOM 186 O PRO A 19 60.431 5.012 8.815 1.00 0.00 O ATOM 187 CB PRO A 19 63.412 4.654 9.521 1.00 0.00 C ATOM 188 CG PRO A 19 63.578 5.926 8.759 1.00 0.00 C ATOM 189 CD PRO A 19 63.442 5.589 7.298 1.00 0.00 C ATOM 0 HA PRO A 19 62.700 2.729 8.757 1.00 0.00 H new ATOM 0 HB2 PRO A 19 62.979 4.837 10.504 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.372 4.163 9.682 1.00 0.00 H new ATOM 0 HG2 PRO A 19 62.825 6.655 9.058 1.00 0.00 H new ATOM 0 HG3 PRO A 19 64.551 6.372 8.962 1.00 0.00 H new ATOM 0 HD2 PRO A 19 62.901 6.367 6.760 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.417 5.491 6.821 1.00 0.00 H new ATOM 197 N LEU A 20 60.451 2.988 9.720 1.00 0.00 N ATOM 198 CA LEU A 20 59.044 3.112 10.229 1.00 0.00 C ATOM 199 C LEU A 20 58.937 3.931 11.552 1.00 0.00 C ATOM 200 O LEU A 20 58.088 4.806 11.589 1.00 0.00 O ATOM 201 CB LEU A 20 58.497 1.681 10.364 1.00 0.00 C ATOM 202 CG LEU A 20 58.394 1.042 8.979 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.378 -0.481 9.117 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.103 1.505 8.300 1.00 0.00 C ATOM 0 H LEU A 20 60.899 2.093 9.916 1.00 0.00 H new ATOM 0 HA LEU A 20 58.440 3.686 9.526 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.153 1.088 11.002 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.518 1.698 10.842 1.00 0.00 H new ATOM 0 HG LEU A 20 59.251 1.342 8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 20 58.305 -0.935 8.129 1.00 0.00 H new ATOM 0 HD12 LEU A 20 59.297 -0.812 9.601 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.521 -0.783 9.720 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.028 1.050 7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.247 1.205 8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.114 2.590 8.200 1.00 0.00 H new ATOM 216 N PRO A 21 59.741 3.683 12.607 1.00 0.00 N ATOM 217 CA PRO A 21 59.782 4.665 13.736 1.00 0.00 C ATOM 218 C PRO A 21 60.460 5.961 13.280 1.00 0.00 C ATOM 219 O PRO A 21 61.156 5.980 12.279 1.00 0.00 O ATOM 220 CB PRO A 21 60.609 3.968 14.818 1.00 0.00 C ATOM 221 CG PRO A 21 61.441 2.976 14.084 1.00 0.00 C ATOM 222 CD PRO A 21 60.636 2.535 12.896 1.00 0.00 C ATOM 0 HA PRO A 21 58.790 4.941 14.094 1.00 0.00 H new ATOM 0 HB2 PRO A 21 61.230 4.680 15.361 1.00 0.00 H new ATOM 0 HB3 PRO A 21 59.968 3.480 15.552 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.385 3.420 13.769 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.685 2.127 14.723 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.277 2.307 12.044 1.00 0.00 H new ATOM 0 HD3 PRO A 21 60.066 1.633 13.116 1.00 0.00 H new ATOM 230 N LYS A 22 60.257 7.036 14.009 1.00 0.00 N ATOM 231 CA LYS A 22 60.885 8.347 13.637 1.00 0.00 C ATOM 232 C LYS A 22 62.321 8.414 14.171 1.00 0.00 C ATOM 233 O LYS A 22 62.547 8.789 15.308 1.00 0.00 O ATOM 234 CB LYS A 22 60.013 9.424 14.294 1.00 0.00 C ATOM 235 CG LYS A 22 60.431 10.804 13.783 1.00 0.00 C ATOM 236 CD LYS A 22 59.635 11.884 14.518 1.00 0.00 C ATOM 237 CE LYS A 22 59.959 13.254 13.920 1.00 0.00 C ATOM 238 NZ LYS A 22 59.070 13.373 12.731 1.00 0.00 N ATOM 0 H LYS A 22 59.680 7.061 14.850 1.00 0.00 H new ATOM 0 HA LYS A 22 60.938 8.482 12.557 1.00 0.00 H new ATOM 0 HB2 LYS A 22 58.962 9.244 14.067 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.117 9.379 15.378 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.499 10.954 13.941 1.00 0.00 H new ATOM 0 HG3 LYS A 22 60.255 10.875 12.710 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.567 11.683 14.435 1.00 0.00 H new ATOM 0 HD3 LYS A 22 59.880 11.872 15.580 1.00 0.00 H new ATOM 0 HE2 LYS A 22 59.769 14.053 14.637 1.00 0.00 H new ATOM 0 HE3 LYS A 22 61.009 13.323 13.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 59.120 14.342 12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 59.378 12.701 11.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 58.090 13.159 13.007 1.00 0.00 H new ATOM 252 N VAL A 23 63.282 8.047 13.352 1.00 0.00 N ATOM 253 CA VAL A 23 64.716 8.089 13.779 1.00 0.00 C ATOM 254 C VAL A 23 65.619 8.428 12.581 1.00 0.00 C ATOM 255 O VAL A 23 65.399 7.953 11.481 1.00 0.00 O ATOM 256 CB VAL A 23 65.005 6.684 14.350 1.00 0.00 C ATOM 257 CG1 VAL A 23 64.832 5.601 13.274 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.436 6.630 14.898 1.00 0.00 C ATOM 0 H VAL A 23 63.130 7.718 12.399 1.00 0.00 H new ATOM 0 HA VAL A 23 64.913 8.859 14.524 1.00 0.00 H new ATOM 0 HB VAL A 23 64.292 6.493 15.152 1.00 0.00 H new ATOM 0 HG11 VAL A 23 65.042 4.622 13.706 1.00 0.00 H new ATOM 0 HG12 VAL A 23 63.808 5.620 12.900 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.522 5.791 12.452 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.635 5.636 15.300 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.141 6.844 14.095 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.551 7.371 15.689 1.00 0.00 H new ATOM 268 N GLU A 24 66.624 9.245 12.801 1.00 0.00 N ATOM 269 CA GLU A 24 67.619 9.553 11.726 1.00 0.00 C ATOM 270 C GLU A 24 69.013 9.089 12.156 1.00 0.00 C ATOM 271 O GLU A 24 69.558 9.579 13.130 1.00 0.00 O ATOM 272 CB GLU A 24 67.580 11.076 11.578 1.00 0.00 C ATOM 273 CG GLU A 24 68.394 11.494 10.351 1.00 0.00 C ATOM 274 CD GLU A 24 68.462 13.020 10.275 1.00 0.00 C ATOM 275 OE1 GLU A 24 68.709 13.635 11.300 1.00 0.00 O ATOM 276 OE2 GLU A 24 68.265 13.549 9.194 1.00 0.00 O ATOM 0 H GLU A 24 66.797 9.715 13.689 1.00 0.00 H new ATOM 0 HA GLU A 24 67.390 9.048 10.788 1.00 0.00 H new ATOM 0 HB2 GLU A 24 66.549 11.415 11.476 1.00 0.00 H new ATOM 0 HB3 GLU A 24 67.984 11.549 12.473 1.00 0.00 H new ATOM 0 HG2 GLU A 24 69.400 11.078 10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 24 67.937 11.095 9.446 1.00 0.00 H new ATOM 283 N LEU A 25 69.585 8.150 11.433 1.00 0.00 N ATOM 284 CA LEU A 25 70.913 7.582 11.827 1.00 0.00 C ATOM 285 C LEU A 25 72.053 8.349 11.126 1.00 0.00 C ATOM 286 O LEU A 25 71.907 8.700 9.970 1.00 0.00 O ATOM 287 CB LEU A 25 70.883 6.125 11.356 1.00 0.00 C ATOM 288 CG LEU A 25 69.866 5.340 12.186 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.611 3.982 11.527 1.00 0.00 C ATOM 290 CD2 LEU A 25 70.413 5.126 13.600 1.00 0.00 C ATOM 0 H LEU A 25 69.184 7.753 10.583 1.00 0.00 H new ATOM 0 HA LEU A 25 71.088 7.660 12.900 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.619 6.079 10.299 1.00 0.00 H new ATOM 0 HB3 LEU A 25 71.872 5.679 11.457 1.00 0.00 H new ATOM 0 HG LEU A 25 68.933 5.900 12.240 1.00 0.00 H new ATOM 0 HD11 LEU A 25 68.886 3.421 12.117 1.00 0.00 H new ATOM 0 HD12 LEU A 25 69.220 4.134 10.521 1.00 0.00 H new ATOM 0 HD13 LEU A 25 70.545 3.423 11.473 1.00 0.00 H new ATOM 0 HD21 LEU A 25 69.687 4.567 14.190 1.00 0.00 H new ATOM 0 HD22 LEU A 25 71.347 4.566 13.548 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.595 6.093 14.070 1.00 0.00 H new ATOM 302 N PRO A 26 73.157 8.594 11.828 1.00 0.00 N ATOM 303 CA PRO A 26 74.338 9.258 11.192 1.00 0.00 C ATOM 304 C PRO A 26 74.873 8.440 9.994 1.00 0.00 C ATOM 305 O PRO A 26 74.507 7.290 9.839 1.00 0.00 O ATOM 306 CB PRO A 26 75.378 9.312 12.316 1.00 0.00 C ATOM 307 CG PRO A 26 74.583 9.205 13.573 1.00 0.00 C ATOM 308 CD PRO A 26 73.423 8.310 13.254 1.00 0.00 C ATOM 0 HA PRO A 26 74.091 10.241 10.790 1.00 0.00 H new ATOM 0 HB2 PRO A 26 76.096 8.496 12.231 1.00 0.00 H new ATOM 0 HB3 PRO A 26 75.947 10.241 12.285 1.00 0.00 H new ATOM 0 HG2 PRO A 26 75.185 8.790 14.381 1.00 0.00 H new ATOM 0 HG3 PRO A 26 74.240 10.186 13.902 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.668 7.260 13.416 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.558 8.535 13.877 1.00 0.00 H new ATOM 316 N PRO A 27 75.724 9.054 9.182 1.00 0.00 N ATOM 317 CA PRO A 27 76.184 8.411 7.912 1.00 0.00 C ATOM 318 C PRO A 27 77.046 7.157 8.155 1.00 0.00 C ATOM 319 O PRO A 27 77.350 6.448 7.213 1.00 0.00 O ATOM 320 CB PRO A 27 77.013 9.508 7.227 1.00 0.00 C ATOM 321 CG PRO A 27 76.622 10.772 7.917 1.00 0.00 C ATOM 322 CD PRO A 27 76.335 10.388 9.335 1.00 0.00 C ATOM 0 HA PRO A 27 75.342 8.060 7.316 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.081 9.317 7.328 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.798 9.558 6.160 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.423 11.510 7.866 1.00 0.00 H new ATOM 0 HG3 PRO A 27 75.746 11.219 7.448 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.242 10.353 9.938 1.00 0.00 H new ATOM 0 HD3 PRO A 27 75.658 11.092 9.818 1.00 0.00 H new ATOM 330 N ASP A 28 77.448 6.883 9.380 1.00 0.00 N ATOM 331 CA ASP A 28 78.262 5.647 9.651 1.00 0.00 C ATOM 332 C ASP A 28 77.368 4.396 9.652 1.00 0.00 C ATOM 333 O ASP A 28 77.814 3.312 9.309 1.00 0.00 O ATOM 334 CB ASP A 28 78.942 5.859 11.017 1.00 0.00 C ATOM 335 CG ASP A 28 77.903 6.069 12.127 1.00 0.00 C ATOM 336 OD1 ASP A 28 77.155 5.144 12.395 1.00 0.00 O ATOM 337 OD2 ASP A 28 77.880 7.151 12.692 1.00 0.00 O ATOM 0 H ASP A 28 77.249 7.458 10.199 1.00 0.00 H new ATOM 0 HA ASP A 28 79.010 5.487 8.874 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.563 4.995 11.255 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.604 6.723 10.966 1.00 0.00 H new ATOM 342 N PHE A 29 76.112 4.541 10.027 1.00 0.00 N ATOM 343 CA PHE A 29 75.188 3.353 10.091 1.00 0.00 C ATOM 344 C PHE A 29 75.045 2.686 8.718 1.00 0.00 C ATOM 345 O PHE A 29 75.105 1.476 8.610 1.00 0.00 O ATOM 346 CB PHE A 29 73.833 3.893 10.570 1.00 0.00 C ATOM 347 CG PHE A 29 73.678 3.865 12.071 1.00 0.00 C ATOM 348 CD1 PHE A 29 74.317 4.857 12.876 1.00 0.00 C ATOM 349 CD2 PHE A 29 72.895 2.841 12.685 1.00 0.00 C ATOM 350 CE1 PHE A 29 74.170 4.826 14.298 1.00 0.00 C ATOM 351 CE2 PHE A 29 72.747 2.809 14.107 1.00 0.00 C ATOM 352 CZ PHE A 29 73.386 3.801 14.913 1.00 0.00 C ATOM 0 H PHE A 29 75.687 5.430 10.291 1.00 0.00 H new ATOM 0 HA PHE A 29 75.579 2.592 10.766 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.713 4.918 10.218 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.034 3.305 10.118 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.911 5.630 12.411 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.414 2.090 12.075 1.00 0.00 H new ATOM 0 HE1 PHE A 29 74.651 5.577 14.907 1.00 0.00 H new ATOM 0 HE2 PHE A 29 72.153 2.036 14.571 1.00 0.00 H new ATOM 0 HZ PHE A 29 73.277 3.776 15.987 1.00 0.00 H new ATOM 362 N VAL A 30 74.868 3.467 7.672 1.00 0.00 N ATOM 363 CA VAL A 30 74.532 2.884 6.323 1.00 0.00 C ATOM 364 C VAL A 30 75.635 1.910 5.859 1.00 0.00 C ATOM 365 O VAL A 30 75.358 0.925 5.196 1.00 0.00 O ATOM 366 CB VAL A 30 74.381 4.090 5.368 1.00 0.00 C ATOM 367 CG1 VAL A 30 75.710 4.845 5.220 1.00 0.00 C ATOM 368 CG2 VAL A 30 73.909 3.606 3.993 1.00 0.00 C ATOM 0 H VAL A 30 74.942 4.484 7.693 1.00 0.00 H new ATOM 0 HA VAL A 30 73.613 2.298 6.349 1.00 0.00 H new ATOM 0 HB VAL A 30 73.643 4.771 5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 30 75.576 5.689 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 30 76.032 5.210 6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.467 4.173 4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 30 73.804 4.459 3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 30 74.640 2.910 3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 30 72.947 3.104 4.095 1.00 0.00 H new ATOM 378 N ASP A 31 76.870 2.187 6.217 1.00 0.00 N ATOM 379 CA ASP A 31 77.999 1.266 5.854 1.00 0.00 C ATOM 380 C ASP A 31 77.894 -0.033 6.658 1.00 0.00 C ATOM 381 O ASP A 31 78.101 -1.110 6.128 1.00 0.00 O ATOM 382 CB ASP A 31 79.289 2.013 6.215 1.00 0.00 C ATOM 383 CG ASP A 31 79.436 3.246 5.319 1.00 0.00 C ATOM 384 OD1 ASP A 31 79.217 3.117 4.126 1.00 0.00 O ATOM 385 OD2 ASP A 31 79.768 4.297 5.842 1.00 0.00 O ATOM 0 H ASP A 31 77.145 3.014 6.747 1.00 0.00 H new ATOM 0 HA ASP A 31 77.977 1.000 4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.267 2.313 7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 31 80.149 1.355 6.090 1.00 0.00 H new ATOM 390 N VAL A 32 77.564 0.068 7.928 1.00 0.00 N ATOM 391 CA VAL A 32 77.492 -1.156 8.801 1.00 0.00 C ATOM 392 C VAL A 32 76.304 -2.027 8.361 1.00 0.00 C ATOM 393 O VAL A 32 76.404 -3.241 8.320 1.00 0.00 O ATOM 394 CB VAL A 32 77.311 -0.650 10.249 1.00 0.00 C ATOM 395 CG1 VAL A 32 77.265 -1.834 11.222 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.485 0.256 10.640 1.00 0.00 C ATOM 0 H VAL A 32 77.341 0.945 8.399 1.00 0.00 H new ATOM 0 HA VAL A 32 78.390 -1.769 8.725 1.00 0.00 H new ATOM 0 HB VAL A 32 76.376 -0.092 10.302 1.00 0.00 H new ATOM 0 HG11 VAL A 32 77.137 -1.464 12.239 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.429 -2.484 10.965 1.00 0.00 H new ATOM 0 HG13 VAL A 32 78.196 -2.397 11.155 1.00 0.00 H new ATOM 0 HG21 VAL A 32 78.348 0.608 11.663 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.417 -0.306 10.571 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.526 1.111 9.965 1.00 0.00 H new ATOM 406 N ILE A 33 75.191 -1.409 8.029 1.00 0.00 N ATOM 407 CA ILE A 33 73.992 -2.179 7.536 1.00 0.00 C ATOM 408 C ILE A 33 74.331 -2.882 6.208 1.00 0.00 C ATOM 409 O ILE A 33 73.983 -4.032 6.008 1.00 0.00 O ATOM 410 CB ILE A 33 72.867 -1.130 7.356 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.531 -0.462 8.709 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.600 -1.776 6.772 1.00 0.00 C ATOM 413 CD1 ILE A 33 72.049 -1.491 9.746 1.00 0.00 C ATOM 0 H ILE A 33 75.058 -0.399 8.078 1.00 0.00 H new ATOM 0 HA ILE A 33 73.684 -2.960 8.231 1.00 0.00 H new ATOM 0 HB ILE A 33 73.226 -0.372 6.659 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.413 0.053 9.090 1.00 0.00 H new ATOM 0 HG13 ILE A 33 71.760 0.294 8.560 1.00 0.00 H new ATOM 0 HG21 ILE A 33 70.826 -1.018 6.656 1.00 0.00 H new ATOM 0 HG22 ILE A 33 71.829 -2.213 5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.246 -2.556 7.446 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.823 -0.984 10.684 1.00 0.00 H new ATOM 0 HD12 ILE A 33 71.152 -1.987 9.376 1.00 0.00 H new ATOM 0 HD13 ILE A 33 72.831 -2.232 9.914 1.00 0.00 H new ATOM 425 N ARG A 34 75.006 -2.194 5.311 1.00 0.00 N ATOM 426 CA ARG A 34 75.399 -2.810 3.991 1.00 0.00 C ATOM 427 C ARG A 34 76.276 -4.054 4.199 1.00 0.00 C ATOM 428 O ARG A 34 76.112 -5.049 3.515 1.00 0.00 O ATOM 429 CB ARG A 34 76.189 -1.728 3.246 1.00 0.00 C ATOM 430 CG ARG A 34 76.390 -2.149 1.789 1.00 0.00 C ATOM 431 CD ARG A 34 77.075 -1.013 1.020 1.00 0.00 C ATOM 432 NE ARG A 34 78.493 -0.984 1.516 1.00 0.00 N ATOM 433 CZ ARG A 34 79.472 -0.431 0.818 1.00 0.00 C ATOM 434 NH1 ARG A 34 79.274 0.148 -0.347 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.681 -0.455 1.308 1.00 0.00 N ATOM 0 H ARG A 34 75.304 -1.227 5.435 1.00 0.00 H new ATOM 0 HA ARG A 34 74.520 -3.134 3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.655 -0.779 3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.155 -1.573 3.727 1.00 0.00 H new ATOM 0 HG2 ARG A 34 76.997 -3.053 1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.429 -2.385 1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.040 -1.191 -0.055 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.577 -0.061 1.202 1.00 0.00 H new ATOM 0 HE ARG A 34 78.708 -1.404 2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.336 0.183 -0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 34 80.058 0.562 -0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.856 -0.894 2.212 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.451 -0.035 0.787 1.00 0.00 H new ATOM 449 N ILE A 35 77.194 -4.000 5.139 1.00 0.00 N ATOM 450 CA ILE A 35 78.102 -5.173 5.403 1.00 0.00 C ATOM 451 C ILE A 35 77.283 -6.361 5.940 1.00 0.00 C ATOM 452 O ILE A 35 77.513 -7.496 5.562 1.00 0.00 O ATOM 453 CB ILE A 35 79.134 -4.683 6.443 1.00 0.00 C ATOM 454 CG1 ILE A 35 79.959 -3.536 5.850 1.00 0.00 C ATOM 455 CG2 ILE A 35 80.090 -5.818 6.835 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.639 -2.759 6.978 1.00 0.00 C ATOM 0 H ILE A 35 77.356 -3.191 5.739 1.00 0.00 H new ATOM 0 HA ILE A 35 78.601 -5.519 4.498 1.00 0.00 H new ATOM 0 HB ILE A 35 78.593 -4.345 7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.708 -3.930 5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.316 -2.872 5.273 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.809 -5.452 7.568 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.520 -6.641 7.266 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.621 -6.168 5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.226 -1.943 6.556 1.00 0.00 H new ATOM 0 HD12 ILE A 35 79.881 -2.352 7.648 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.295 -3.427 7.536 1.00 0.00 H new ATOM 468 N LYS A 36 76.343 -6.099 6.819 1.00 0.00 N ATOM 469 CA LYS A 36 75.474 -7.198 7.368 1.00 0.00 C ATOM 470 C LYS A 36 74.597 -7.807 6.265 1.00 0.00 C ATOM 471 O LYS A 36 74.464 -9.015 6.174 1.00 0.00 O ATOM 472 CB LYS A 36 74.593 -6.544 8.440 1.00 0.00 C ATOM 473 CG LYS A 36 75.466 -6.053 9.597 1.00 0.00 C ATOM 474 CD LYS A 36 75.985 -7.253 10.394 1.00 0.00 C ATOM 475 CE LYS A 36 76.713 -6.759 11.647 1.00 0.00 C ATOM 476 NZ LYS A 36 76.588 -7.873 12.628 1.00 0.00 N ATOM 0 H LYS A 36 76.138 -5.168 7.183 1.00 0.00 H new ATOM 0 HA LYS A 36 76.079 -8.007 7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 36 74.040 -5.709 8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 36 73.857 -7.260 8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 36 76.303 -5.470 9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 36 74.890 -5.394 10.246 1.00 0.00 H new ATOM 0 HD2 LYS A 36 75.156 -7.902 10.675 1.00 0.00 H new ATOM 0 HD3 LYS A 36 76.661 -7.847 9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 36 77.758 -6.536 11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 36 76.263 -5.843 12.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 77.063 -7.610 13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 75.582 -8.059 12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 77.031 -8.730 12.239 1.00 0.00 H new ATOM 490 N LEU A 37 74.006 -6.979 5.435 1.00 0.00 N ATOM 491 CA LEU A 37 72.905 -7.451 4.532 1.00 0.00 C ATOM 492 C LEU A 37 73.447 -7.959 3.188 1.00 0.00 C ATOM 493 O LEU A 37 72.843 -8.815 2.567 1.00 0.00 O ATOM 494 CB LEU A 37 72.010 -6.227 4.312 1.00 0.00 C ATOM 495 CG LEU A 37 71.185 -5.965 5.574 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.648 -4.534 5.544 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.012 -6.947 5.627 1.00 0.00 C ATOM 0 H LEU A 37 74.240 -5.990 5.344 1.00 0.00 H new ATOM 0 HA LEU A 37 72.367 -8.288 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 37 72.620 -5.355 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.350 -6.394 3.461 1.00 0.00 H new ATOM 0 HG LEU A 37 71.814 -6.099 6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.060 -4.347 6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.482 -3.833 5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 37 70.018 -4.400 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.423 -6.762 6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.384 -6.811 4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.393 -7.968 5.647 1.00 0.00 H new ATOM 509 N GLN A 38 74.573 -7.440 2.735 1.00 0.00 N ATOM 510 CA GLN A 38 75.101 -7.776 1.356 1.00 0.00 C ATOM 511 C GLN A 38 75.161 -9.295 1.106 1.00 0.00 C ATOM 512 O GLN A 38 75.387 -10.072 2.018 1.00 0.00 O ATOM 513 CB GLN A 38 76.512 -7.162 1.272 1.00 0.00 C ATOM 514 CG GLN A 38 77.422 -7.717 2.375 1.00 0.00 C ATOM 515 CD GLN A 38 78.820 -7.113 2.239 1.00 0.00 C ATOM 516 OE1 GLN A 38 79.804 -7.825 2.226 1.00 0.00 O ATOM 517 NE2 GLN A 38 78.953 -5.818 2.137 1.00 0.00 N ATOM 0 H GLN A 38 75.156 -6.792 3.264 1.00 0.00 H new ATOM 0 HA GLN A 38 74.435 -7.374 0.593 1.00 0.00 H new ATOM 0 HB2 GLN A 38 76.947 -7.375 0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.446 -6.078 1.362 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.007 -7.482 3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.476 -8.803 2.304 1.00 0.00 H new ATOM 0 HE21 GLN A 38 78.128 -5.218 2.148 1.00 0.00 H new ATOM 0 HE22 GLN A 38 79.882 -5.406 2.047 1.00 0.00 H new ATOM 526 N GLY A 39 74.962 -9.704 -0.127 1.00 0.00 N ATOM 527 CA GLY A 39 74.863 -11.161 -0.455 1.00 0.00 C ATOM 528 C GLY A 39 73.394 -11.602 -0.516 1.00 0.00 C ATOM 529 O GLY A 39 73.067 -12.553 -1.206 1.00 0.00 O ATOM 0 H GLY A 39 74.863 -9.081 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.347 -11.358 -1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.393 -11.746 0.297 1.00 0.00 H new ATOM 533 N LYS A 40 72.514 -10.928 0.194 1.00 0.00 N ATOM 534 CA LYS A 40 71.051 -11.243 0.104 1.00 0.00 C ATOM 535 C LYS A 40 70.399 -10.413 -1.004 1.00 0.00 C ATOM 536 O LYS A 40 70.887 -9.353 -1.356 1.00 0.00 O ATOM 537 CB LYS A 40 70.465 -10.867 1.469 1.00 0.00 C ATOM 538 CG LYS A 40 71.021 -11.806 2.542 1.00 0.00 C ATOM 539 CD LYS A 40 70.324 -11.528 3.875 1.00 0.00 C ATOM 540 CE LYS A 40 70.983 -12.360 4.977 1.00 0.00 C ATOM 541 NZ LYS A 40 70.239 -12.007 6.220 1.00 0.00 N ATOM 0 H LYS A 40 72.750 -10.170 0.834 1.00 0.00 H new ATOM 0 HA LYS A 40 70.875 -12.292 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.714 -9.834 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.377 -10.934 1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 40 70.866 -12.844 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.096 -11.661 2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 40 70.389 -10.467 4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 40 69.265 -11.774 3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 40 70.912 -13.426 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 40 72.043 -12.124 5.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 70.633 -12.538 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 70.330 -10.987 6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 69.234 -12.249 6.104 1.00 0.00 H new ATOM 555 N THR A 41 69.305 -10.895 -1.551 1.00 0.00 N ATOM 556 CA THR A 41 68.589 -10.148 -2.630 1.00 0.00 C ATOM 557 C THR A 41 67.386 -9.400 -2.050 1.00 0.00 C ATOM 558 O THR A 41 66.790 -9.834 -1.080 1.00 0.00 O ATOM 559 CB THR A 41 68.127 -11.224 -3.616 1.00 0.00 C ATOM 560 OG1 THR A 41 69.223 -12.068 -3.941 1.00 0.00 O ATOM 561 CG2 THR A 41 67.598 -10.560 -4.889 1.00 0.00 C ATOM 0 H THR A 41 68.876 -11.783 -1.291 1.00 0.00 H new ATOM 0 HA THR A 41 69.225 -9.402 -3.107 1.00 0.00 H new ATOM 0 HB THR A 41 67.333 -11.817 -3.161 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.929 -12.759 -4.571 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.269 -11.327 -5.590 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.757 -9.913 -4.639 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.390 -9.966 -5.346 1.00 0.00 H new ATOM 569 N VAL A 42 67.035 -8.282 -2.645 1.00 0.00 N ATOM 570 CA VAL A 42 65.932 -7.428 -2.097 1.00 0.00 C ATOM 571 C VAL A 42 64.938 -7.056 -3.206 1.00 0.00 C ATOM 572 O VAL A 42 65.325 -6.841 -4.343 1.00 0.00 O ATOM 573 CB VAL A 42 66.610 -6.168 -1.524 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.512 -6.560 -0.352 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.457 -5.458 -2.595 1.00 0.00 C ATOM 0 H VAL A 42 67.470 -7.923 -3.495 1.00 0.00 H new ATOM 0 HA VAL A 42 65.365 -7.954 -1.329 1.00 0.00 H new ATOM 0 HB VAL A 42 65.830 -5.485 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 42 67.991 -5.668 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 42 66.913 -7.034 0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.276 -7.257 -0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 42 67.923 -4.573 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.231 -6.136 -2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.818 -5.162 -3.427 1.00 0.00 H new ATOM 585 N ARG A 43 63.669 -6.986 -2.869 1.00 0.00 N ATOM 586 CA ARG A 43 62.636 -6.496 -3.832 1.00 0.00 C ATOM 587 C ARG A 43 61.723 -5.474 -3.145 1.00 0.00 C ATOM 588 O ARG A 43 61.467 -5.566 -1.957 1.00 0.00 O ATOM 589 CB ARG A 43 61.836 -7.739 -4.224 1.00 0.00 C ATOM 590 CG ARG A 43 62.713 -8.672 -5.060 1.00 0.00 C ATOM 591 CD ARG A 43 61.904 -9.910 -5.462 1.00 0.00 C ATOM 592 NE ARG A 43 62.917 -10.969 -5.796 1.00 0.00 N ATOM 593 CZ ARG A 43 62.627 -12.004 -6.568 1.00 0.00 C ATOM 594 NH1 ARG A 43 61.434 -12.189 -7.089 1.00 0.00 N ATOM 595 NH2 ARG A 43 63.562 -12.879 -6.816 1.00 0.00 N ATOM 0 H ARG A 43 63.304 -7.252 -1.954 1.00 0.00 H new ATOM 0 HA ARG A 43 63.079 -6.005 -4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 43 61.487 -8.256 -3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 43 60.951 -7.450 -4.791 1.00 0.00 H new ATOM 0 HG2 ARG A 43 63.070 -8.153 -5.950 1.00 0.00 H new ATOM 0 HG3 ARG A 43 63.593 -8.969 -4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 43 61.254 -10.233 -4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 43 61.263 -9.698 -6.318 1.00 0.00 H new ATOM 0 HE ARG A 43 63.860 -10.887 -5.415 1.00 0.00 H new ATOM 0 HH11 ARG A 43 60.687 -11.520 -6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 43 61.256 -13.002 -7.679 1.00 0.00 H new ATOM 0 HH21 ARG A 43 64.493 -12.757 -6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 43 63.362 -13.685 -7.408 1.00 0.00 H new ATOM 609 N THR A 44 61.228 -4.507 -3.890 1.00 0.00 N ATOM 610 CA THR A 44 60.357 -3.428 -3.292 1.00 0.00 C ATOM 611 C THR A 44 59.149 -4.025 -2.553 1.00 0.00 C ATOM 612 O THR A 44 58.528 -4.960 -3.028 1.00 0.00 O ATOM 613 CB THR A 44 59.874 -2.583 -4.477 1.00 0.00 C ATOM 614 OG1 THR A 44 60.981 -2.262 -5.309 1.00 0.00 O ATOM 615 CG2 THR A 44 59.232 -1.295 -3.961 1.00 0.00 C ATOM 0 H THR A 44 61.389 -4.416 -4.893 1.00 0.00 H new ATOM 0 HA THR A 44 60.914 -2.842 -2.561 1.00 0.00 H new ATOM 0 HB THR A 44 59.139 -3.148 -5.050 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.674 -1.723 -6.068 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.889 -0.696 -4.805 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.383 -1.542 -3.323 1.00 0.00 H new ATOM 0 HG23 THR A 44 59.965 -0.728 -3.387 1.00 0.00 H new ATOM 623 N GLY A 45 58.822 -3.483 -1.400 1.00 0.00 N ATOM 624 CA GLY A 45 57.621 -3.949 -0.640 1.00 0.00 C ATOM 625 C GLY A 45 58.011 -4.930 0.478 1.00 0.00 C ATOM 626 O GLY A 45 57.230 -5.158 1.386 1.00 0.00 O ATOM 0 H GLY A 45 59.344 -2.730 -0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.105 -3.091 -0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 45 56.921 -4.432 -1.322 1.00 0.00 H new ATOM 630 N ASP A 46 59.196 -5.512 0.426 1.00 0.00 N ATOM 631 CA ASP A 46 59.653 -6.420 1.537 1.00 0.00 C ATOM 632 C ASP A 46 59.800 -5.641 2.848 1.00 0.00 C ATOM 633 O ASP A 46 60.058 -4.451 2.839 1.00 0.00 O ATOM 634 CB ASP A 46 61.018 -6.971 1.105 1.00 0.00 C ATOM 635 CG ASP A 46 60.844 -7.943 -0.066 1.00 0.00 C ATOM 636 OD1 ASP A 46 59.894 -8.710 -0.046 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.670 -7.908 -0.961 1.00 0.00 O ATOM 0 H ASP A 46 59.863 -5.397 -0.337 1.00 0.00 H new ATOM 0 HA ASP A 46 58.930 -7.217 1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.674 -6.151 0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.496 -7.479 1.942 1.00 0.00 H new ATOM 642 N VAL A 47 59.638 -6.312 3.966 1.00 0.00 N ATOM 643 CA VAL A 47 59.828 -5.652 5.299 1.00 0.00 C ATOM 644 C VAL A 47 60.709 -6.546 6.181 1.00 0.00 C ATOM 645 O VAL A 47 60.448 -7.728 6.326 1.00 0.00 O ATOM 646 CB VAL A 47 58.413 -5.498 5.896 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.487 -4.806 7.263 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.538 -4.644 4.968 1.00 0.00 C ATOM 0 H VAL A 47 59.380 -7.298 4.012 1.00 0.00 H new ATOM 0 HA VAL A 47 60.321 -4.683 5.223 1.00 0.00 H new ATOM 0 HB VAL A 47 57.980 -6.492 6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.483 -4.703 7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.097 -5.403 7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 47 58.934 -3.819 7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.542 -4.542 5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 47 57.986 -3.657 4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.464 -5.126 3.993 1.00 0.00 H new ATOM 658 N ILE A 48 61.744 -5.983 6.765 1.00 0.00 N ATOM 659 CA ILE A 48 62.669 -6.784 7.632 1.00 0.00 C ATOM 660 C ILE A 48 63.034 -5.994 8.894 1.00 0.00 C ATOM 661 O ILE A 48 63.144 -4.781 8.859 1.00 0.00 O ATOM 662 CB ILE A 48 63.920 -7.086 6.781 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.592 -5.790 6.279 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.520 -7.949 5.579 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.603 -5.271 7.313 1.00 0.00 C ATOM 0 H ILE A 48 61.988 -4.997 6.677 1.00 0.00 H new ATOM 0 HA ILE A 48 62.200 -7.710 7.964 1.00 0.00 H new ATOM 0 HB ILE A 48 64.636 -7.617 7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.097 -5.979 5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 48 63.834 -5.030 6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.402 -8.164 4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.085 -8.884 5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 48 62.788 -7.413 4.974 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.067 -4.357 6.942 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.089 -5.062 8.251 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.372 -6.025 7.481 1.00 0.00 H new ATOM 677 N GLY A 49 63.215 -6.680 10.001 1.00 0.00 N ATOM 678 CA GLY A 49 63.558 -5.997 11.287 1.00 0.00 C ATOM 679 C GLY A 49 65.018 -6.281 11.646 1.00 0.00 C ATOM 680 O GLY A 49 65.489 -7.395 11.504 1.00 0.00 O ATOM 0 H GLY A 49 63.138 -7.695 10.066 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.398 -4.923 11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 49 62.902 -6.349 12.083 1.00 0.00 H new ATOM 684 N ILE A 50 65.729 -5.275 12.107 1.00 0.00 N ATOM 685 CA ILE A 50 67.151 -5.469 12.540 1.00 0.00 C ATOM 686 C ILE A 50 67.320 -4.943 13.973 1.00 0.00 C ATOM 687 O ILE A 50 66.849 -3.868 14.302 1.00 0.00 O ATOM 688 CB ILE A 50 68.003 -4.660 11.539 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.799 -5.201 10.118 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.492 -4.772 11.895 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.365 -4.207 9.101 1.00 0.00 C ATOM 0 H ILE A 50 65.381 -4.321 12.202 1.00 0.00 H new ATOM 0 HA ILE A 50 67.452 -6.517 12.545 1.00 0.00 H new ATOM 0 HB ILE A 50 67.690 -3.617 11.589 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.294 -6.166 10.012 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.738 -5.364 9.930 1.00 0.00 H new ATOM 0 HG21 ILE A 50 70.081 -4.197 11.181 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.656 -4.381 12.899 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.797 -5.818 11.858 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.218 -4.595 8.093 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.850 -3.251 9.201 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.430 -4.066 9.284 1.00 0.00 H new ATOM 703 N SER A 51 67.982 -5.703 14.818 1.00 0.00 N ATOM 704 CA SER A 51 68.299 -5.220 16.201 1.00 0.00 C ATOM 705 C SER A 51 69.634 -4.469 16.209 1.00 0.00 C ATOM 706 O SER A 51 70.655 -5.014 15.828 1.00 0.00 O ATOM 707 CB SER A 51 68.396 -6.484 17.059 1.00 0.00 C ATOM 708 OG SER A 51 68.587 -6.116 18.419 1.00 0.00 O ATOM 0 H SER A 51 68.318 -6.643 14.606 1.00 0.00 H new ATOM 0 HA SER A 51 67.541 -4.531 16.575 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.488 -7.078 16.955 1.00 0.00 H new ATOM 0 HB3 SER A 51 69.224 -7.106 16.719 1.00 0.00 H new ATOM 0 HG SER A 51 68.648 -6.923 18.971 1.00 0.00 H new ATOM 714 N ILE A 52 69.624 -3.227 16.639 1.00 0.00 N ATOM 715 CA ILE A 52 70.888 -2.423 16.708 1.00 0.00 C ATOM 716 C ILE A 52 71.014 -1.793 18.103 1.00 0.00 C ATOM 717 O ILE A 52 70.089 -1.177 18.598 1.00 0.00 O ATOM 718 CB ILE A 52 70.758 -1.342 15.614 1.00 0.00 C ATOM 719 CG1 ILE A 52 70.594 -1.999 14.235 1.00 0.00 C ATOM 720 CG2 ILE A 52 72.017 -0.461 15.591 1.00 0.00 C ATOM 721 CD1 ILE A 52 70.137 -0.952 13.217 1.00 0.00 C ATOM 0 H ILE A 52 68.787 -2.733 16.947 1.00 0.00 H new ATOM 0 HA ILE A 52 71.779 -3.029 16.546 1.00 0.00 H new ATOM 0 HB ILE A 52 69.883 -0.732 15.838 1.00 0.00 H new ATOM 0 HG12 ILE A 52 71.538 -2.441 13.917 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.866 -2.808 14.291 1.00 0.00 H new ATOM 0 HG21 ILE A 52 71.915 0.299 14.816 1.00 0.00 H new ATOM 0 HG22 ILE A 52 72.140 0.023 16.560 1.00 0.00 H new ATOM 0 HG23 ILE A 52 72.890 -1.079 15.381 1.00 0.00 H new ATOM 0 HD11 ILE A 52 70.022 -1.421 12.240 1.00 0.00 H new ATOM 0 HD12 ILE A 52 69.183 -0.530 13.532 1.00 0.00 H new ATOM 0 HD13 ILE A 52 70.881 -0.158 13.153 1.00 0.00 H new ATOM 733 N LEU A 53 72.163 -1.950 18.736 1.00 0.00 N ATOM 734 CA LEU A 53 72.435 -1.318 20.080 1.00 0.00 C ATOM 735 C LEU A 53 71.324 -1.637 21.094 1.00 0.00 C ATOM 736 O LEU A 53 71.018 -0.833 21.959 1.00 0.00 O ATOM 737 CB LEU A 53 72.515 0.193 19.823 1.00 0.00 C ATOM 738 CG LEU A 53 73.728 0.501 18.940 1.00 0.00 C ATOM 739 CD1 LEU A 53 73.567 1.889 18.318 1.00 0.00 C ATOM 740 CD2 LEU A 53 74.999 0.469 19.791 1.00 0.00 C ATOM 0 H LEU A 53 72.939 -2.501 18.370 1.00 0.00 H new ATOM 0 HA LEU A 53 73.357 -1.707 20.512 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.602 0.538 19.338 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.595 0.729 20.769 1.00 0.00 H new ATOM 0 HG LEU A 53 73.800 -0.246 18.149 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.430 2.108 17.690 1.00 0.00 H new ATOM 0 HD12 LEU A 53 72.661 1.913 17.712 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.495 2.636 19.109 1.00 0.00 H new ATOM 0 HD21 LEU A 53 75.863 0.688 19.163 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.926 1.216 20.582 1.00 0.00 H new ATOM 0 HD23 LEU A 53 75.115 -0.520 20.235 1.00 0.00 H new ATOM 752 N GLY A 54 70.729 -2.804 20.984 1.00 0.00 N ATOM 753 CA GLY A 54 69.686 -3.233 21.970 1.00 0.00 C ATOM 754 C GLY A 54 68.343 -2.546 21.672 1.00 0.00 C ATOM 755 O GLY A 54 67.518 -2.408 22.559 1.00 0.00 O ATOM 0 H GLY A 54 70.924 -3.482 20.247 1.00 0.00 H new ATOM 0 HA2 GLY A 54 69.564 -4.315 21.930 1.00 0.00 H new ATOM 0 HA3 GLY A 54 70.010 -2.986 22.981 1.00 0.00 H new ATOM 759 N LYS A 55 68.118 -2.116 20.444 1.00 0.00 N ATOM 760 CA LYS A 55 66.817 -1.469 20.085 1.00 0.00 C ATOM 761 C LYS A 55 66.334 -1.981 18.725 1.00 0.00 C ATOM 762 O LYS A 55 67.077 -1.970 17.760 1.00 0.00 O ATOM 763 CB LYS A 55 67.122 0.028 20.018 1.00 0.00 C ATOM 764 CG LYS A 55 67.435 0.549 21.422 1.00 0.00 C ATOM 765 CD LYS A 55 67.470 2.079 21.404 1.00 0.00 C ATOM 766 CE LYS A 55 68.742 2.554 20.699 1.00 0.00 C ATOM 767 NZ LYS A 55 68.403 3.903 20.166 1.00 0.00 N ATOM 0 H LYS A 55 68.786 -2.189 19.677 1.00 0.00 H new ATOM 0 HA LYS A 55 66.031 -1.690 20.807 1.00 0.00 H new ATOM 0 HB2 LYS A 55 67.968 0.208 19.355 1.00 0.00 H new ATOM 0 HB3 LYS A 55 66.270 0.565 19.601 1.00 0.00 H new ATOM 0 HG2 LYS A 55 66.680 0.200 22.127 1.00 0.00 H new ATOM 0 HG3 LYS A 55 68.394 0.157 21.761 1.00 0.00 H new ATOM 0 HD2 LYS A 55 66.591 2.467 20.890 1.00 0.00 H new ATOM 0 HD3 LYS A 55 67.440 2.466 22.423 1.00 0.00 H new ATOM 0 HE2 LYS A 55 69.583 2.602 21.391 1.00 0.00 H new ATOM 0 HE3 LYS A 55 69.028 1.873 19.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 69.227 4.296 19.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 67.604 3.824 19.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 68.142 4.531 20.952 1.00 0.00 H new ATOM 781 N GLU A 56 65.100 -2.427 18.653 1.00 0.00 N ATOM 782 CA GLU A 56 64.556 -2.972 17.364 1.00 0.00 C ATOM 783 C GLU A 56 64.120 -1.828 16.445 1.00 0.00 C ATOM 784 O GLU A 56 63.423 -0.921 16.866 1.00 0.00 O ATOM 785 CB GLU A 56 63.347 -3.829 17.758 1.00 0.00 C ATOM 786 CG GLU A 56 62.870 -4.630 16.543 1.00 0.00 C ATOM 787 CD GLU A 56 61.585 -5.383 16.898 1.00 0.00 C ATOM 788 OE1 GLU A 56 60.716 -4.779 17.504 1.00 0.00 O ATOM 789 OE2 GLU A 56 61.494 -6.550 16.557 1.00 0.00 O ATOM 0 H GLU A 56 64.444 -2.437 19.434 1.00 0.00 H new ATOM 0 HA GLU A 56 65.303 -3.552 16.822 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.616 -4.505 18.570 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.542 -3.193 18.127 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.691 -3.961 15.701 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.642 -5.334 16.232 1.00 0.00 H new ATOM 796 N VAL A 57 64.529 -1.870 15.197 1.00 0.00 N ATOM 797 CA VAL A 57 64.025 -0.888 14.183 1.00 0.00 C ATOM 798 C VAL A 57 63.482 -1.638 12.957 1.00 0.00 C ATOM 799 O VAL A 57 64.133 -2.522 12.427 1.00 0.00 O ATOM 800 CB VAL A 57 65.239 0.002 13.836 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.382 -0.825 13.227 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.819 1.090 12.840 1.00 0.00 C ATOM 0 H VAL A 57 65.197 -2.550 14.835 1.00 0.00 H new ATOM 0 HA VAL A 57 63.200 -0.280 14.554 1.00 0.00 H new ATOM 0 HB VAL A 57 65.595 0.458 14.760 1.00 0.00 H new ATOM 0 HG11 VAL A 57 67.221 -0.170 12.994 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.702 -1.584 13.941 1.00 0.00 H new ATOM 0 HG13 VAL A 57 66.035 -1.309 12.314 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.679 1.714 12.599 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.443 0.624 11.929 1.00 0.00 H new ATOM 0 HG23 VAL A 57 64.036 1.706 13.283 1.00 0.00 H new ATOM 812 N LYS A 58 62.294 -1.285 12.518 1.00 0.00 N ATOM 813 CA LYS A 58 61.706 -1.919 11.296 1.00 0.00 C ATOM 814 C LYS A 58 62.020 -1.074 10.059 1.00 0.00 C ATOM 815 O LYS A 58 61.785 0.122 10.048 1.00 0.00 O ATOM 816 CB LYS A 58 60.197 -1.956 11.547 1.00 0.00 C ATOM 817 CG LYS A 58 59.889 -2.929 12.688 1.00 0.00 C ATOM 818 CD LYS A 58 58.375 -3.047 12.865 1.00 0.00 C ATOM 819 CE LYS A 58 58.069 -3.938 14.071 1.00 0.00 C ATOM 820 NZ LYS A 58 58.185 -3.039 15.251 1.00 0.00 N ATOM 0 H LYS A 58 61.704 -0.579 12.959 1.00 0.00 H new ATOM 0 HA LYS A 58 62.112 -2.914 11.116 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.836 -0.959 11.799 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.675 -2.265 10.641 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.318 -3.907 12.471 1.00 0.00 H new ATOM 0 HG3 LYS A 58 60.347 -2.578 13.613 1.00 0.00 H new ATOM 0 HD2 LYS A 58 57.937 -2.059 13.009 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.925 -3.467 11.966 1.00 0.00 H new ATOM 0 HE2 LYS A 58 57.071 -4.370 14.000 1.00 0.00 H new ATOM 0 HE3 LYS A 58 58.772 -4.769 14.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 58.668 -3.541 16.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 58.733 -2.194 14.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 57.235 -2.753 15.564 1.00 0.00 H new ATOM 834 N PHE A 59 62.548 -1.691 9.026 1.00 0.00 N ATOM 835 CA PHE A 59 62.840 -0.956 7.757 1.00 0.00 C ATOM 836 C PHE A 59 61.972 -1.504 6.623 1.00 0.00 C ATOM 837 O PHE A 59 61.886 -2.704 6.429 1.00 0.00 O ATOM 838 CB PHE A 59 64.320 -1.225 7.470 1.00 0.00 C ATOM 839 CG PHE A 59 65.262 -0.617 8.485 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.137 0.761 8.847 1.00 0.00 C ATOM 841 CD2 PHE A 59 66.281 -1.421 9.082 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.031 1.333 9.804 1.00 0.00 C ATOM 843 CE2 PHE A 59 67.174 -0.849 10.040 1.00 0.00 C ATOM 844 CZ PHE A 59 67.049 0.528 10.402 1.00 0.00 C ATOM 0 H PHE A 59 62.790 -2.682 9.011 1.00 0.00 H new ATOM 0 HA PHE A 59 62.628 0.110 7.840 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.484 -2.302 7.437 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.565 -0.835 6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 59 64.367 1.370 8.397 1.00 0.00 H new ATOM 0 HD2 PHE A 59 66.376 -2.462 8.809 1.00 0.00 H new ATOM 0 HE1 PHE A 59 65.937 2.374 10.075 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.944 -1.458 10.491 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.723 0.960 11.127 1.00 0.00 H new ATOM 854 N LYS A 60 61.330 -0.628 5.882 1.00 0.00 N ATOM 855 CA LYS A 60 60.561 -1.059 4.676 1.00 0.00 C ATOM 856 C LYS A 60 61.354 -0.743 3.406 1.00 0.00 C ATOM 857 O LYS A 60 61.954 0.312 3.297 1.00 0.00 O ATOM 858 CB LYS A 60 59.266 -0.246 4.713 1.00 0.00 C ATOM 859 CG LYS A 60 58.293 -0.797 3.670 1.00 0.00 C ATOM 860 CD LYS A 60 57.033 0.071 3.631 1.00 0.00 C ATOM 861 CE LYS A 60 56.017 -0.547 2.668 1.00 0.00 C ATOM 862 NZ LYS A 60 55.176 0.596 2.214 1.00 0.00 N ATOM 0 H LYS A 60 61.308 0.375 6.066 1.00 0.00 H new ATOM 0 HA LYS A 60 60.366 -2.131 4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 60 58.820 -0.297 5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.477 0.804 4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 60 58.767 -0.812 2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.030 -1.827 3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.602 0.150 4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.285 1.082 3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 60 56.513 -1.031 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 60 55.415 -1.308 3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 54.454 0.253 1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 54.711 1.033 3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 55.776 1.301 1.740 1.00 0.00 H new ATOM 876 N VAL A 61 61.355 -1.651 2.457 1.00 0.00 N ATOM 877 CA VAL A 61 62.082 -1.414 1.165 1.00 0.00 C ATOM 878 C VAL A 61 61.218 -0.524 0.264 1.00 0.00 C ATOM 879 O VAL A 61 60.170 -0.941 -0.199 1.00 0.00 O ATOM 880 CB VAL A 61 62.299 -2.804 0.531 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.081 -2.669 -0.782 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.101 -3.700 1.484 1.00 0.00 C ATOM 0 H VAL A 61 60.881 -2.552 2.522 1.00 0.00 H new ATOM 0 HA VAL A 61 63.038 -0.910 1.310 1.00 0.00 H new ATOM 0 HB VAL A 61 61.322 -3.247 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.228 -3.656 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.521 -2.043 -1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.050 -2.212 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.248 -4.678 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.070 -3.243 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.555 -3.816 2.420 1.00 0.00 H new ATOM 892 N VAL A 62 61.661 0.688 0.018 1.00 0.00 N ATOM 893 CA VAL A 62 60.824 1.671 -0.747 1.00 0.00 C ATOM 894 C VAL A 62 60.922 1.351 -2.242 1.00 0.00 C ATOM 895 O VAL A 62 59.927 1.351 -2.944 1.00 0.00 O ATOM 896 CB VAL A 62 61.405 3.068 -0.436 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.589 4.151 -1.152 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.351 3.335 1.073 1.00 0.00 C ATOM 0 H VAL A 62 62.571 1.040 0.316 1.00 0.00 H new ATOM 0 HA VAL A 62 59.771 1.628 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 62 62.438 3.094 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 62 61.008 5.132 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.624 3.981 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.554 4.111 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.763 4.322 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.316 3.294 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 62 61.936 2.579 1.597 1.00 0.00 H new ATOM 908 N GLN A 63 62.118 1.077 -2.719 1.00 0.00 N ATOM 909 CA GLN A 63 62.307 0.751 -4.168 1.00 0.00 C ATOM 910 C GLN A 63 63.656 0.058 -4.387 1.00 0.00 C ATOM 911 O GLN A 63 64.668 0.471 -3.847 1.00 0.00 O ATOM 912 CB GLN A 63 62.265 2.101 -4.903 1.00 0.00 C ATOM 913 CG GLN A 63 60.850 2.368 -5.430 1.00 0.00 C ATOM 914 CD GLN A 63 60.916 3.301 -6.641 1.00 0.00 C ATOM 915 OE1 GLN A 63 60.735 2.872 -7.763 1.00 0.00 O ATOM 916 NE2 GLN A 63 61.171 4.569 -6.460 1.00 0.00 N ATOM 0 H GLN A 63 62.972 1.066 -2.162 1.00 0.00 H new ATOM 0 HA GLN A 63 61.538 0.071 -4.535 1.00 0.00 H new ATOM 0 HB2 GLN A 63 62.567 2.901 -4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 63 62.975 2.096 -5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 63 60.372 1.429 -5.709 1.00 0.00 H new ATOM 0 HG3 GLN A 63 60.239 2.816 -4.647 1.00 0.00 H new ATOM 0 HE21 GLN A 63 61.323 4.929 -5.518 1.00 0.00 H new ATOM 0 HE22 GLN A 63 61.218 5.199 -7.261 1.00 0.00 H new ATOM 925 N ALA A 64 63.661 -0.993 -5.176 1.00 0.00 N ATOM 926 CA ALA A 64 64.942 -1.635 -5.597 1.00 0.00 C ATOM 927 C ALA A 64 65.230 -1.312 -7.066 1.00 0.00 C ATOM 928 O ALA A 64 64.360 -1.431 -7.910 1.00 0.00 O ATOM 929 CB ALA A 64 64.710 -3.136 -5.416 1.00 0.00 C ATOM 0 H ALA A 64 62.821 -1.435 -5.548 1.00 0.00 H new ATOM 0 HA ALA A 64 65.794 -1.282 -5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.609 -3.681 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.479 -3.345 -4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.876 -3.453 -6.042 1.00 0.00 H new ATOM 935 N TYR A 65 66.443 -0.903 -7.366 1.00 0.00 N ATOM 936 CA TYR A 65 66.805 -0.534 -8.771 1.00 0.00 C ATOM 937 C TYR A 65 68.095 -1.268 -9.198 1.00 0.00 C ATOM 938 O TYR A 65 69.125 -1.027 -8.601 1.00 0.00 O ATOM 939 CB TYR A 65 67.045 0.976 -8.724 1.00 0.00 C ATOM 940 CG TYR A 65 65.787 1.792 -8.906 1.00 0.00 C ATOM 941 CD1 TYR A 65 64.990 1.621 -10.081 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.393 2.734 -7.906 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.799 2.392 -10.256 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.202 3.506 -8.081 1.00 0.00 C ATOM 945 CZ TYR A 65 63.406 3.334 -9.255 1.00 0.00 C ATOM 946 OH TYR A 65 62.256 4.079 -9.424 1.00 0.00 O ATOM 0 H TYR A 65 67.202 -0.809 -6.691 1.00 0.00 H new ATOM 0 HA TYR A 65 66.030 -0.808 -9.487 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.501 1.234 -7.768 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.760 1.247 -9.501 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.288 0.909 -10.836 1.00 0.00 H new ATOM 0 HD2 TYR A 65 65.995 2.863 -7.018 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.197 2.263 -11.143 1.00 0.00 H new ATOM 0 HE2 TYR A 65 63.904 4.219 -7.326 1.00 0.00 H new ATOM 0 HH TYR A 65 61.498 3.608 -9.018 1.00 0.00 H new ATOM 956 N PRO A 66 68.050 -2.141 -10.199 1.00 0.00 N ATOM 957 CA PRO A 66 66.792 -2.754 -10.741 1.00 0.00 C ATOM 958 C PRO A 66 66.245 -3.793 -9.758 1.00 0.00 C ATOM 959 O PRO A 66 66.955 -4.243 -8.878 1.00 0.00 O ATOM 960 CB PRO A 66 67.255 -3.426 -12.031 1.00 0.00 C ATOM 961 CG PRO A 66 68.689 -3.745 -11.787 1.00 0.00 C ATOM 962 CD PRO A 66 69.230 -2.640 -10.923 1.00 0.00 C ATOM 0 HA PRO A 66 65.993 -2.030 -10.902 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.677 -4.326 -12.240 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.135 -2.765 -12.889 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.793 -4.711 -11.292 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.238 -3.807 -12.727 1.00 0.00 H new ATOM 0 HD2 PRO A 66 69.993 -3.008 -10.237 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.692 -1.855 -11.522 1.00 0.00 H new ATOM 970 N SER A 67 64.997 -4.174 -9.907 1.00 0.00 N ATOM 971 CA SER A 67 64.416 -5.246 -9.040 1.00 0.00 C ATOM 972 C SER A 67 64.347 -6.575 -9.824 1.00 0.00 C ATOM 973 O SER A 67 64.014 -6.549 -10.992 1.00 0.00 O ATOM 974 CB SER A 67 63.008 -4.756 -8.699 1.00 0.00 C ATOM 975 OG SER A 67 63.096 -3.640 -7.825 1.00 0.00 O ATOM 0 H SER A 67 64.354 -3.785 -10.596 1.00 0.00 H new ATOM 0 HA SER A 67 65.013 -5.429 -8.146 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.477 -4.478 -9.610 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.436 -5.556 -8.229 1.00 0.00 H new ATOM 0 HG SER A 67 63.522 -2.891 -8.292 1.00 0.00 H new ATOM 981 N PRO A 68 64.653 -7.710 -9.203 1.00 0.00 N ATOM 982 CA PRO A 68 65.398 -7.790 -7.901 1.00 0.00 C ATOM 983 C PRO A 68 66.877 -7.439 -8.101 1.00 0.00 C ATOM 984 O PRO A 68 67.377 -7.457 -9.213 1.00 0.00 O ATOM 985 CB PRO A 68 65.244 -9.254 -7.494 1.00 0.00 C ATOM 986 CG PRO A 68 65.071 -9.979 -8.785 1.00 0.00 C ATOM 987 CD PRO A 68 64.309 -9.054 -9.692 1.00 0.00 C ATOM 0 HA PRO A 68 65.020 -7.095 -7.151 1.00 0.00 H new ATOM 0 HB2 PRO A 68 66.120 -9.610 -6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 68 64.384 -9.397 -6.839 1.00 0.00 H new ATOM 0 HG2 PRO A 68 66.037 -10.238 -9.218 1.00 0.00 H new ATOM 0 HG3 PRO A 68 64.528 -10.912 -8.637 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.602 -9.186 -10.734 1.00 0.00 H new ATOM 0 HD3 PRO A 68 63.236 -9.236 -9.637 1.00 0.00 H new ATOM 995 N LEU A 69 67.568 -7.120 -7.030 1.00 0.00 N ATOM 996 CA LEU A 69 69.062 -7.006 -7.086 1.00 0.00 C ATOM 997 C LEU A 69 69.688 -7.558 -5.799 1.00 0.00 C ATOM 998 O LEU A 69 69.046 -7.600 -4.765 1.00 0.00 O ATOM 999 CB LEU A 69 69.370 -5.507 -7.266 1.00 0.00 C ATOM 1000 CG LEU A 69 68.824 -4.674 -6.089 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.877 -4.607 -4.972 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.491 -3.251 -6.566 1.00 0.00 C ATOM 0 H LEU A 69 67.158 -6.933 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 69 69.482 -7.587 -7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.447 -5.363 -7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.930 -5.153 -8.199 1.00 0.00 H new ATOM 0 HG LEU A 69 67.919 -5.146 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.489 -4.018 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.105 -5.615 -4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.785 -4.140 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.106 -2.668 -5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.393 -2.777 -6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.738 -3.298 -7.353 1.00 0.00 H new ATOM 1014 N ARG A 70 70.929 -7.984 -5.868 1.00 0.00 N ATOM 1015 CA ARG A 70 71.684 -8.349 -4.629 1.00 0.00 C ATOM 1016 C ARG A 70 72.477 -7.140 -4.127 1.00 0.00 C ATOM 1017 O ARG A 70 73.008 -6.372 -4.911 1.00 0.00 O ATOM 1018 CB ARG A 70 72.631 -9.482 -5.043 1.00 0.00 C ATOM 1019 CG ARG A 70 71.945 -10.834 -4.835 1.00 0.00 C ATOM 1020 CD ARG A 70 72.700 -11.918 -5.613 1.00 0.00 C ATOM 1021 NE ARG A 70 72.516 -11.581 -7.066 1.00 0.00 N ATOM 1022 CZ ARG A 70 73.346 -12.012 -8.002 1.00 0.00 C ATOM 1023 NH1 ARG A 70 74.379 -12.782 -7.734 1.00 0.00 N ATOM 1024 NH2 ARG A 70 73.126 -11.666 -9.240 1.00 0.00 N ATOM 0 H ARG A 70 71.453 -8.094 -6.736 1.00 0.00 H new ATOM 0 HA ARG A 70 71.022 -8.659 -3.821 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.916 -9.366 -6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.548 -9.435 -4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.923 -11.082 -3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.910 -10.784 -5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 70 73.756 -11.928 -5.345 1.00 0.00 H new ATOM 0 HD3 ARG A 70 72.304 -12.908 -5.388 1.00 0.00 H new ATOM 0 HE ARG A 70 71.724 -11.000 -7.340 1.00 0.00 H new ATOM 0 HH11 ARG A 70 74.565 -13.070 -6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 70 74.994 -13.091 -8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 70 72.327 -11.075 -9.470 1.00 0.00 H new ATOM 0 HH22 ARG A 70 73.753 -11.987 -9.978 1.00 0.00 H new ATOM 1038 N VAL A 71 72.554 -6.975 -2.825 1.00 0.00 N ATOM 1039 CA VAL A 71 73.291 -5.806 -2.241 1.00 0.00 C ATOM 1040 C VAL A 71 74.787 -6.143 -2.162 1.00 0.00 C ATOM 1041 O VAL A 71 75.165 -7.175 -1.637 1.00 0.00 O ATOM 1042 CB VAL A 71 72.688 -5.586 -0.837 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.378 -4.409 -0.137 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.191 -5.272 -0.954 1.00 0.00 C ATOM 0 H VAL A 71 72.136 -7.603 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 71 73.194 -4.903 -2.844 1.00 0.00 H new ATOM 0 HB VAL A 71 72.836 -6.496 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 71 72.941 -4.267 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.443 -4.619 -0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.241 -3.503 -0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.773 -5.118 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 71 71.054 -4.369 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.681 -6.106 -1.437 1.00 0.00 H new ATOM 1054 N GLU A 72 75.624 -5.276 -2.684 1.00 0.00 N ATOM 1055 CA GLU A 72 77.102 -5.511 -2.648 1.00 0.00 C ATOM 1056 C GLU A 72 77.822 -4.262 -2.136 1.00 0.00 C ATOM 1057 O GLU A 72 77.197 -3.262 -1.831 1.00 0.00 O ATOM 1058 CB GLU A 72 77.504 -5.789 -4.100 1.00 0.00 C ATOM 1059 CG GLU A 72 76.868 -7.097 -4.577 1.00 0.00 C ATOM 1060 CD GLU A 72 77.538 -8.284 -3.881 1.00 0.00 C ATOM 1061 OE1 GLU A 72 78.755 -8.289 -3.798 1.00 0.00 O ATOM 1062 OE2 GLU A 72 76.822 -9.168 -3.441 1.00 0.00 O ATOM 0 H GLU A 72 75.342 -4.407 -3.138 1.00 0.00 H new ATOM 0 HA GLU A 72 77.367 -6.335 -1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 72 77.185 -4.965 -4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 72 78.589 -5.852 -4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 72 75.800 -7.093 -4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 72 76.974 -7.190 -5.658 1.00 0.00 H new ATOM 1069 N ASP A 73 79.132 -4.323 -2.041 1.00 0.00 N ATOM 1070 CA ASP A 73 79.946 -3.084 -1.780 1.00 0.00 C ATOM 1071 C ASP A 73 79.779 -2.066 -2.920 1.00 0.00 C ATOM 1072 O ASP A 73 79.925 -0.874 -2.710 1.00 0.00 O ATOM 1073 CB ASP A 73 81.406 -3.549 -1.703 1.00 0.00 C ATOM 1074 CG ASP A 73 81.594 -4.447 -0.478 1.00 0.00 C ATOM 1075 OD1 ASP A 73 81.096 -4.089 0.578 1.00 0.00 O ATOM 1076 OD2 ASP A 73 82.234 -5.476 -0.616 1.00 0.00 O ATOM 0 H ASP A 73 79.676 -5.181 -2.133 1.00 0.00 H new ATOM 0 HA ASP A 73 79.625 -2.591 -0.862 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.674 -4.092 -2.609 1.00 0.00 H new ATOM 0 HB3 ASP A 73 82.070 -2.687 -1.640 1.00 0.00 H new ATOM 1081 N ARG A 74 79.478 -2.531 -4.115 1.00 0.00 N ATOM 1082 CA ARG A 74 79.305 -1.599 -5.280 1.00 0.00 C ATOM 1083 C ARG A 74 77.885 -1.013 -5.322 1.00 0.00 C ATOM 1084 O ARG A 74 77.666 0.015 -5.940 1.00 0.00 O ATOM 1085 CB ARG A 74 79.565 -2.449 -6.529 1.00 0.00 C ATOM 1086 CG ARG A 74 81.033 -2.881 -6.558 1.00 0.00 C ATOM 1087 CD ARG A 74 81.327 -3.607 -7.875 1.00 0.00 C ATOM 1088 NE ARG A 74 82.699 -4.199 -7.716 1.00 0.00 N ATOM 1089 CZ ARG A 74 83.114 -5.228 -8.437 1.00 0.00 C ATOM 1090 NH1 ARG A 74 82.365 -5.799 -9.356 1.00 0.00 N ATOM 1091 NH2 ARG A 74 84.316 -5.692 -8.233 1.00 0.00 N ATOM 0 H ARG A 74 79.345 -3.519 -4.333 1.00 0.00 H new ATOM 0 HA ARG A 74 79.987 -0.752 -5.209 1.00 0.00 H new ATOM 0 HB2 ARG A 74 78.917 -3.326 -6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 74 79.325 -1.878 -7.426 1.00 0.00 H new ATOM 0 HG2 ARG A 74 81.681 -2.010 -6.458 1.00 0.00 H new ATOM 0 HG3 ARG A 74 81.247 -3.536 -5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 74 80.586 -4.383 -8.068 1.00 0.00 H new ATOM 0 HD3 ARG A 74 81.294 -2.917 -8.718 1.00 0.00 H new ATOM 0 HE ARG A 74 83.333 -3.793 -7.028 1.00 0.00 H new ATOM 0 HH11 ARG A 74 81.424 -5.450 -9.536 1.00 0.00 H new ATOM 0 HH12 ARG A 74 82.726 -6.591 -9.889 1.00 0.00 H new ATOM 0 HH21 ARG A 74 84.916 -5.262 -7.529 1.00 0.00 H new ATOM 0 HH22 ARG A 74 84.656 -6.485 -8.778 1.00 0.00 H new ATOM 1105 N THR A 75 76.928 -1.651 -4.677 1.00 0.00 N ATOM 1106 CA THR A 75 75.536 -1.090 -4.624 1.00 0.00 C ATOM 1107 C THR A 75 75.454 0.020 -3.573 1.00 0.00 C ATOM 1108 O THR A 75 75.844 -0.171 -2.434 1.00 0.00 O ATOM 1109 CB THR A 75 74.625 -2.258 -4.234 1.00 0.00 C ATOM 1110 OG1 THR A 75 74.950 -3.395 -5.021 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.165 -1.872 -4.473 1.00 0.00 C ATOM 0 H THR A 75 77.053 -2.536 -4.186 1.00 0.00 H new ATOM 0 HA THR A 75 75.242 -0.656 -5.580 1.00 0.00 H new ATOM 0 HB THR A 75 74.769 -2.493 -3.179 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.272 -4.090 -4.888 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.518 -2.704 -4.195 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.915 -1.001 -3.868 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.019 -1.636 -5.527 1.00 0.00 H new ATOM 1119 N LYS A 76 74.948 1.173 -3.954 1.00 0.00 N ATOM 1120 CA LYS A 76 74.811 2.312 -2.988 1.00 0.00 C ATOM 1121 C LYS A 76 73.451 2.244 -2.286 1.00 0.00 C ATOM 1122 O LYS A 76 72.460 1.874 -2.888 1.00 0.00 O ATOM 1123 CB LYS A 76 74.910 3.582 -3.839 1.00 0.00 C ATOM 1124 CG LYS A 76 76.313 3.693 -4.440 1.00 0.00 C ATOM 1125 CD LYS A 76 76.398 4.947 -5.313 1.00 0.00 C ATOM 1126 CE LYS A 76 77.565 4.807 -6.293 1.00 0.00 C ATOM 1127 NZ LYS A 76 77.658 6.132 -6.967 1.00 0.00 N ATOM 0 H LYS A 76 74.622 1.374 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 76 75.576 2.286 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 76 74.164 3.558 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.696 4.459 -3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 76 77.058 3.739 -3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.536 2.807 -5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 76 75.465 5.087 -5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 76 76.537 5.829 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 76 78.491 4.562 -5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 76 77.383 4.009 -7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 78.437 6.117 -7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 76.764 6.335 -7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 77.838 6.871 -6.257 1.00 0.00 H new ATOM 1141 N ILE A 77 73.403 2.597 -1.021 1.00 0.00 N ATOM 1142 CA ILE A 77 72.109 2.569 -0.263 1.00 0.00 C ATOM 1143 C ILE A 77 71.848 3.952 0.351 1.00 0.00 C ATOM 1144 O ILE A 77 72.756 4.599 0.843 1.00 0.00 O ATOM 1145 CB ILE A 77 72.286 1.489 0.823 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.549 0.127 0.165 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.015 1.379 1.678 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.045 -0.868 1.216 1.00 0.00 C ATOM 0 H ILE A 77 74.210 2.905 -0.478 1.00 0.00 H new ATOM 0 HA ILE A 77 71.254 2.337 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 77 73.129 1.771 1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.636 -0.245 -0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.290 0.233 -0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.155 0.613 2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 77 70.816 2.337 2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.171 1.109 1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.230 -1.833 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 77 73.969 -0.498 1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.290 -0.983 1.993 1.00 0.00 H new ATOM 1160 N THR A 78 70.610 4.394 0.321 1.00 0.00 N ATOM 1161 CA THR A 78 70.265 5.756 0.835 1.00 0.00 C ATOM 1162 C THR A 78 69.083 5.677 1.807 1.00 0.00 C ATOM 1163 O THR A 78 68.160 4.906 1.605 1.00 0.00 O ATOM 1164 CB THR A 78 69.879 6.560 -0.408 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.883 6.404 -1.401 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.748 8.040 -0.041 1.00 0.00 C ATOM 0 H THR A 78 69.819 3.862 -0.042 1.00 0.00 H new ATOM 0 HA THR A 78 71.092 6.211 1.379 1.00 0.00 H new ATOM 0 HB THR A 78 68.926 6.198 -0.794 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.637 6.917 -2.199 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.473 8.612 -0.927 1.00 0.00 H new ATOM 0 HG22 THR A 78 68.978 8.159 0.721 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.700 8.405 0.345 1.00 0.00 H new ATOM 1174 N LEU A 79 69.115 6.469 2.855 1.00 0.00 N ATOM 1175 CA LEU A 79 67.970 6.520 3.817 1.00 0.00 C ATOM 1176 C LEU A 79 67.089 7.739 3.526 1.00 0.00 C ATOM 1177 O LEU A 79 67.574 8.854 3.448 1.00 0.00 O ATOM 1178 CB LEU A 79 68.616 6.646 5.198 1.00 0.00 C ATOM 1179 CG LEU A 79 69.361 5.353 5.537 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.253 5.581 6.760 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.349 4.247 5.848 1.00 0.00 C ATOM 0 H LEU A 79 69.893 7.087 3.085 1.00 0.00 H new ATOM 0 HA LEU A 79 67.331 5.640 3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.306 7.489 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 79 67.853 6.846 5.950 1.00 0.00 H new ATOM 0 HG LEU A 79 69.976 5.057 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.783 4.659 7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 79 70.975 6.368 6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.637 5.878 7.609 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.879 3.326 6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.734 4.545 6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.712 4.082 4.979 1.00 0.00 H new ATOM 1193 N VAL A 80 65.802 7.524 3.369 1.00 0.00 N ATOM 1194 CA VAL A 80 64.860 8.654 3.080 1.00 0.00 C ATOM 1195 C VAL A 80 64.235 9.148 4.392 1.00 0.00 C ATOM 1196 O VAL A 80 63.845 8.357 5.232 1.00 0.00 O ATOM 1197 CB VAL A 80 63.786 8.069 2.138 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.751 9.143 1.775 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.438 7.566 0.845 1.00 0.00 C ATOM 0 H VAL A 80 65.361 6.606 3.429 1.00 0.00 H new ATOM 0 HA VAL A 80 65.359 9.507 2.620 1.00 0.00 H new ATOM 0 HB VAL A 80 63.295 7.244 2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 80 62.000 8.715 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.268 9.504 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.249 9.973 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.672 7.155 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.940 8.394 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.166 6.791 1.083 1.00 0.00 H new ATOM 1209 N THR A 81 64.147 10.449 4.561 1.00 0.00 N ATOM 1210 CA THR A 81 63.418 11.024 5.732 1.00 0.00 C ATOM 1211 C THR A 81 62.773 12.359 5.347 1.00 0.00 C ATOM 1212 O THR A 81 63.421 13.392 5.357 1.00 0.00 O ATOM 1213 CB THR A 81 64.481 11.237 6.816 1.00 0.00 C ATOM 1214 OG1 THR A 81 65.538 12.040 6.302 1.00 0.00 O ATOM 1215 CG2 THR A 81 65.032 9.882 7.276 1.00 0.00 C ATOM 0 H THR A 81 64.554 11.140 3.930 1.00 0.00 H new ATOM 0 HA THR A 81 62.620 10.367 6.076 1.00 0.00 H new ATOM 0 HB THR A 81 64.028 11.745 7.667 1.00 0.00 H new ATOM 0 HG1 THR A 81 65.162 12.789 5.793 1.00 0.00 H new ATOM 0 HG21 THR A 81 65.787 10.039 8.046 1.00 0.00 H new ATOM 0 HG22 THR A 81 64.220 9.278 7.681 1.00 0.00 H new ATOM 0 HG23 THR A 81 65.481 9.365 6.428 1.00 0.00 H new ATOM 1223 N HIS A 82 61.502 12.336 5.010 1.00 0.00 N ATOM 1224 CA HIS A 82 60.784 13.591 4.625 1.00 0.00 C ATOM 1225 C HIS A 82 59.339 13.565 5.165 1.00 0.00 C ATOM 1226 O HIS A 82 58.473 12.987 4.533 1.00 0.00 O ATOM 1227 CB HIS A 82 60.792 13.596 3.094 1.00 0.00 C ATOM 1228 CG HIS A 82 60.692 14.973 2.499 1.00 0.00 C ATOM 1229 ND1 HIS A 82 59.635 15.826 2.780 1.00 0.00 N ATOM 1230 CD2 HIS A 82 61.508 15.662 1.635 1.00 0.00 C ATOM 1231 CE1 HIS A 82 59.841 16.967 2.099 1.00 0.00 C ATOM 1232 NE2 HIS A 82 60.969 16.920 1.384 1.00 0.00 N ATOM 0 H HIS A 82 60.929 11.492 4.986 1.00 0.00 H new ATOM 0 HA HIS A 82 61.257 14.483 5.036 1.00 0.00 H new ATOM 0 HB2 HIS A 82 61.708 13.122 2.742 1.00 0.00 H new ATOM 0 HB3 HIS A 82 59.961 12.991 2.732 1.00 0.00 H new ATOM 0 HD2 HIS A 82 62.428 15.285 1.214 1.00 0.00 H new ATOM 0 HE1 HIS A 82 59.176 17.818 2.127 1.00 0.00 H new ATOM 0 HE2 HIS A 82 61.353 17.650 0.783 1.00 0.00 H new ATOM 1240 N PRO A 83 59.110 14.185 6.318 1.00 0.00 N ATOM 1241 CA PRO A 83 57.734 14.232 6.896 1.00 0.00 C ATOM 1242 C PRO A 83 56.794 15.039 5.991 1.00 0.00 C ATOM 1243 O PRO A 83 55.843 14.460 5.493 1.00 0.00 O ATOM 1244 CB PRO A 83 57.915 14.922 8.257 1.00 0.00 C ATOM 1245 CG PRO A 83 59.386 14.912 8.524 1.00 0.00 C ATOM 1246 CD PRO A 83 60.074 14.883 7.190 1.00 0.00 C ATOM 1247 OXT PRO A 83 57.044 16.219 5.812 1.00 0.00 O ATOM 0 HA PRO A 83 57.287 13.243 6.992 1.00 0.00 H new ATOM 0 HB2 PRO A 83 57.528 15.941 8.234 1.00 0.00 H new ATOM 0 HB3 PRO A 83 57.372 14.393 9.040 1.00 0.00 H new ATOM 0 HG2 PRO A 83 59.681 15.795 9.091 1.00 0.00 H new ATOM 0 HG3 PRO A 83 59.664 14.043 9.120 1.00 0.00 H new ATOM 0 HD2 PRO A 83 60.288 15.888 6.827 1.00 0.00 H new ATOM 0 HD3 PRO A 83 61.025 14.353 7.241 1.00 0.00 H new TER 1255 PRO A 83