USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=15 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 171:sc= -1.91! USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0.00823 USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= 0.267 USER MOD Set 2.2: A 67 SER OG : rot 53:sc= -0.243 USER MOD Set 3.1: A 63 GLN : amide:sc= -3.48 K(o=-3.8,f=-7!) USER MOD Set 3.2: A 65 TYR OH : rot 168:sc= -0.27 USER MOD Single : A 12 MET CE :methyl -126:sc= -0.108 (180deg=-0.565) USER MOD Single : A 16 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0901) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0071) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0158) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0732 USER MOD Single : A 51 SER OG : rot 13:sc= 0.927 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0561) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.202) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 84.151 -3.824 -19.971 1.00 0.00 N ATOM 2 CA GLU A 8 82.663 -3.676 -19.986 1.00 0.00 C ATOM 3 C GLU A 8 82.260 -2.334 -19.369 1.00 0.00 C ATOM 4 O GLU A 8 83.031 -1.723 -18.650 1.00 0.00 O ATOM 5 CB GLU A 8 82.143 -4.837 -19.136 1.00 0.00 C ATOM 6 CG GLU A 8 80.623 -4.931 -19.268 1.00 0.00 C ATOM 7 CD GLU A 8 80.102 -6.074 -18.394 1.00 0.00 C ATOM 8 OE1 GLU A 8 80.691 -7.142 -18.438 1.00 0.00 O ATOM 9 OE2 GLU A 8 79.123 -5.864 -17.697 1.00 0.00 O ATOM 0 HA GLU A 8 82.254 -3.696 -20.996 1.00 0.00 H new ATOM 0 HB2 GLU A 8 82.604 -5.771 -19.457 1.00 0.00 H new ATOM 0 HB3 GLU A 8 82.419 -4.688 -18.092 1.00 0.00 H new ATOM 0 HG2 GLU A 8 80.163 -3.990 -18.966 1.00 0.00 H new ATOM 0 HG3 GLU A 8 80.348 -5.101 -20.309 1.00 0.00 H new ATOM 16 N GLY A 9 81.060 -1.878 -19.651 1.00 0.00 N ATOM 17 CA GLY A 9 80.577 -0.576 -19.094 1.00 0.00 C ATOM 18 C GLY A 9 80.364 -0.711 -17.584 1.00 0.00 C ATOM 19 O GLY A 9 80.932 -1.585 -16.952 1.00 0.00 O ATOM 0 H GLY A 9 80.389 -2.360 -20.250 1.00 0.00 H new ATOM 0 HA2 GLY A 9 81.303 0.211 -19.300 1.00 0.00 H new ATOM 0 HA3 GLY A 9 79.645 -0.285 -19.578 1.00 0.00 H new ATOM 23 N VAL A 10 79.551 0.149 -17.011 1.00 0.00 N ATOM 24 CA VAL A 10 79.304 0.112 -15.532 1.00 0.00 C ATOM 25 C VAL A 10 77.854 0.530 -15.253 1.00 0.00 C ATOM 26 O VAL A 10 77.372 1.508 -15.796 1.00 0.00 O ATOM 27 CB VAL A 10 80.304 1.110 -14.910 1.00 0.00 C ATOM 28 CG1 VAL A 10 80.145 1.143 -13.385 1.00 0.00 C ATOM 29 CG2 VAL A 10 81.743 0.694 -15.236 1.00 0.00 C ATOM 0 H VAL A 10 79.044 0.880 -17.510 1.00 0.00 H new ATOM 0 HA VAL A 10 79.444 -0.883 -15.109 1.00 0.00 H new ATOM 0 HB VAL A 10 80.098 2.096 -15.327 1.00 0.00 H new ATOM 0 HG11 VAL A 10 80.857 1.851 -12.960 1.00 0.00 H new ATOM 0 HG12 VAL A 10 79.131 1.452 -13.132 1.00 0.00 H new ATOM 0 HG13 VAL A 10 80.334 0.150 -12.978 1.00 0.00 H new ATOM 0 HG21 VAL A 10 82.437 1.407 -14.791 1.00 0.00 H new ATOM 0 HG22 VAL A 10 81.935 -0.300 -14.832 1.00 0.00 H new ATOM 0 HG23 VAL A 10 81.881 0.679 -16.317 1.00 0.00 H new ATOM 39 N ILE A 11 77.168 -0.211 -14.411 1.00 0.00 N ATOM 40 CA ILE A 11 75.756 0.135 -14.050 1.00 0.00 C ATOM 41 C ILE A 11 75.687 0.501 -12.560 1.00 0.00 C ATOM 42 O ILE A 11 76.176 -0.230 -11.717 1.00 0.00 O ATOM 43 CB ILE A 11 74.928 -1.136 -14.348 1.00 0.00 C ATOM 44 CG1 ILE A 11 75.061 -1.551 -15.832 1.00 0.00 C ATOM 45 CG2 ILE A 11 73.446 -0.901 -14.013 1.00 0.00 C ATOM 46 CD1 ILE A 11 74.588 -0.434 -16.777 1.00 0.00 C ATOM 0 H ILE A 11 77.531 -1.048 -13.955 1.00 0.00 H new ATOM 0 HA ILE A 11 75.377 0.989 -14.612 1.00 0.00 H new ATOM 0 HB ILE A 11 75.317 -1.940 -13.724 1.00 0.00 H new ATOM 0 HG12 ILE A 11 76.100 -1.797 -16.050 1.00 0.00 H new ATOM 0 HG13 ILE A 11 74.476 -2.453 -16.012 1.00 0.00 H new ATOM 0 HG21 ILE A 11 72.877 -1.805 -14.228 1.00 0.00 H new ATOM 0 HG22 ILE A 11 73.347 -0.653 -12.956 1.00 0.00 H new ATOM 0 HG23 ILE A 11 73.063 -0.078 -14.617 1.00 0.00 H new ATOM 0 HD11 ILE A 11 74.696 -0.762 -17.811 1.00 0.00 H new ATOM 0 HD12 ILE A 11 73.541 -0.207 -16.576 1.00 0.00 H new ATOM 0 HD13 ILE A 11 75.191 0.459 -16.615 1.00 0.00 H new ATOM 58 N MET A 12 75.084 1.627 -12.246 1.00 0.00 N ATOM 59 CA MET A 12 74.887 2.013 -10.812 1.00 0.00 C ATOM 60 C MET A 12 73.595 1.389 -10.256 1.00 0.00 C ATOM 61 O MET A 12 72.503 1.715 -10.686 1.00 0.00 O ATOM 62 CB MET A 12 74.853 3.557 -10.786 1.00 0.00 C ATOM 63 CG MET A 12 73.630 4.123 -11.531 1.00 0.00 C ATOM 64 SD MET A 12 73.967 5.824 -12.059 1.00 0.00 S ATOM 65 CE MET A 12 75.046 5.417 -13.455 1.00 0.00 C ATOM 0 H MET A 12 74.720 2.296 -12.925 1.00 0.00 H new ATOM 0 HA MET A 12 75.690 1.643 -10.175 1.00 0.00 H new ATOM 0 HB2 MET A 12 74.838 3.901 -9.752 1.00 0.00 H new ATOM 0 HB3 MET A 12 75.765 3.947 -11.239 1.00 0.00 H new ATOM 0 HG2 MET A 12 73.401 3.502 -12.397 1.00 0.00 H new ATOM 0 HG3 MET A 12 72.755 4.100 -10.882 1.00 0.00 H new ATOM 0 HE1 MET A 12 75.992 5.949 -13.351 1.00 0.00 H new ATOM 0 HE2 MET A 12 75.233 4.343 -13.469 1.00 0.00 H new ATOM 0 HE3 MET A 12 74.564 5.714 -14.386 1.00 0.00 H new ATOM 75 N SER A 13 73.730 0.489 -9.307 1.00 0.00 N ATOM 76 CA SER A 13 72.536 -0.090 -8.618 1.00 0.00 C ATOM 77 C SER A 13 72.319 0.608 -7.272 1.00 0.00 C ATOM 78 O SER A 13 73.254 1.122 -6.680 1.00 0.00 O ATOM 79 CB SER A 13 72.875 -1.565 -8.408 1.00 0.00 C ATOM 80 OG SER A 13 74.048 -1.670 -7.611 1.00 0.00 O ATOM 0 H SER A 13 74.627 0.130 -8.980 1.00 0.00 H new ATOM 0 HA SER A 13 71.621 0.037 -9.196 1.00 0.00 H new ATOM 0 HB2 SER A 13 72.044 -2.075 -7.921 1.00 0.00 H new ATOM 0 HB3 SER A 13 73.030 -2.055 -9.369 1.00 0.00 H new ATOM 0 HG SER A 13 74.186 -2.605 -7.353 1.00 0.00 H new ATOM 86 N GLU A 14 71.096 0.619 -6.791 1.00 0.00 N ATOM 87 CA GLU A 14 70.769 1.397 -5.556 1.00 0.00 C ATOM 88 C GLU A 14 69.621 0.740 -4.783 1.00 0.00 C ATOM 89 O GLU A 14 68.737 0.136 -5.365 1.00 0.00 O ATOM 90 CB GLU A 14 70.351 2.781 -6.058 1.00 0.00 C ATOM 91 CG GLU A 14 71.591 3.663 -6.227 1.00 0.00 C ATOM 92 CD GLU A 14 71.169 5.061 -6.683 1.00 0.00 C ATOM 93 OE1 GLU A 14 70.333 5.150 -7.567 1.00 0.00 O ATOM 94 OE2 GLU A 14 71.691 6.022 -6.140 1.00 0.00 O ATOM 0 H GLU A 14 70.309 0.119 -7.205 1.00 0.00 H new ATOM 0 HA GLU A 14 71.616 1.444 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 14 69.825 2.690 -7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.659 3.241 -5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 14 72.136 3.726 -5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 14 72.268 3.220 -6.958 1.00 0.00 H new ATOM 101 N LEU A 15 69.644 0.862 -3.474 1.00 0.00 N ATOM 102 CA LEU A 15 68.501 0.393 -2.632 1.00 0.00 C ATOM 103 C LEU A 15 68.000 1.541 -1.749 1.00 0.00 C ATOM 104 O LEU A 15 68.747 2.091 -0.959 1.00 0.00 O ATOM 105 CB LEU A 15 69.085 -0.730 -1.774 1.00 0.00 C ATOM 106 CG LEU A 15 67.970 -1.681 -1.338 1.00 0.00 C ATOM 107 CD1 LEU A 15 68.586 -2.955 -0.757 1.00 0.00 C ATOM 108 CD2 LEU A 15 67.110 -1.003 -0.271 1.00 0.00 C ATOM 0 H LEU A 15 70.417 1.272 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 15 67.653 0.053 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.841 -1.276 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.581 -0.311 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 15 67.351 -1.934 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 15 67.792 -3.634 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 15 69.202 -3.440 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 15 69.204 -2.700 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 15 66.315 -1.681 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 15 67.730 -0.751 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 15 66.672 -0.093 -0.681 1.00 0.00 H new ATOM 120 N LYS A 16 66.743 1.904 -1.886 1.00 0.00 N ATOM 121 CA LYS A 16 66.168 3.015 -1.065 1.00 0.00 C ATOM 122 C LYS A 16 65.290 2.450 0.054 1.00 0.00 C ATOM 123 O LYS A 16 64.333 1.741 -0.204 1.00 0.00 O ATOM 124 CB LYS A 16 65.327 3.840 -2.049 1.00 0.00 C ATOM 125 CG LYS A 16 66.187 4.941 -2.682 1.00 0.00 C ATOM 126 CD LYS A 16 67.236 4.316 -3.605 1.00 0.00 C ATOM 127 CE LYS A 16 67.952 5.417 -4.389 1.00 0.00 C ATOM 128 NZ LYS A 16 67.055 5.711 -5.542 1.00 0.00 N ATOM 0 H LYS A 16 66.088 1.472 -2.538 1.00 0.00 H new ATOM 0 HA LYS A 16 66.940 3.616 -0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.922 3.192 -2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.478 4.284 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 16 65.556 5.628 -3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.677 5.525 -1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 16 67.957 3.746 -3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 16 66.760 3.617 -4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 16 68.108 6.303 -3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 16 68.934 5.087 -4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 67.504 5.387 -6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 66.150 5.216 -5.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 66.884 6.735 -5.597 1.00 0.00 H new ATOM 142 N LEU A 17 65.619 2.768 1.288 1.00 0.00 N ATOM 143 CA LEU A 17 64.810 2.285 2.452 1.00 0.00 C ATOM 144 C LEU A 17 64.137 3.463 3.160 1.00 0.00 C ATOM 145 O LEU A 17 64.613 4.582 3.100 1.00 0.00 O ATOM 146 CB LEU A 17 65.813 1.616 3.394 1.00 0.00 C ATOM 147 CG LEU A 17 66.371 0.352 2.741 1.00 0.00 C ATOM 148 CD1 LEU A 17 67.705 -0.013 3.393 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.380 -0.799 2.929 1.00 0.00 C ATOM 0 H LEU A 17 66.421 3.347 1.537 1.00 0.00 H new ATOM 0 HA LEU A 17 64.021 1.601 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 17 66.625 2.306 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.329 1.366 4.338 1.00 0.00 H new ATOM 0 HG LEU A 17 66.524 0.530 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.103 -0.915 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.411 0.806 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 17 67.553 -0.191 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 17 65.777 -1.701 2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.227 -0.977 3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.429 -0.540 2.464 1.00 0.00 H new ATOM 161 N LYS A 18 63.033 3.209 3.827 1.00 0.00 N ATOM 162 CA LYS A 18 62.412 4.242 4.714 1.00 0.00 C ATOM 163 C LYS A 18 62.244 3.674 6.138 1.00 0.00 C ATOM 164 O LYS A 18 61.729 2.578 6.277 1.00 0.00 O ATOM 165 CB LYS A 18 61.045 4.530 4.088 1.00 0.00 C ATOM 166 CG LYS A 18 60.397 5.722 4.794 1.00 0.00 C ATOM 167 CD LYS A 18 58.900 5.753 4.475 1.00 0.00 C ATOM 168 CE LYS A 18 58.213 6.802 5.352 1.00 0.00 C ATOM 169 NZ LYS A 18 56.780 6.395 5.383 1.00 0.00 N ATOM 0 H LYS A 18 62.533 2.321 3.793 1.00 0.00 H new ATOM 0 HA LYS A 18 63.020 5.143 4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.158 4.742 3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.404 3.653 4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.549 5.647 5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 18 60.868 6.650 4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 18 58.747 5.987 3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 18 58.459 4.772 4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 18 58.640 6.820 6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 18 58.331 7.803 4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 56.241 7.067 5.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 56.399 6.393 4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 56.699 5.441 5.789 1.00 0.00 H new ATOM 183 N PRO A 19 62.677 4.411 7.157 1.00 0.00 N ATOM 184 CA PRO A 19 62.491 3.938 8.558 1.00 0.00 C ATOM 185 C PRO A 19 61.033 4.118 8.990 1.00 0.00 C ATOM 186 O PRO A 19 60.425 5.139 8.718 1.00 0.00 O ATOM 187 CB PRO A 19 63.416 4.840 9.372 1.00 0.00 C ATOM 188 CG PRO A 19 63.532 6.096 8.573 1.00 0.00 C ATOM 189 CD PRO A 19 63.367 5.719 7.124 1.00 0.00 C ATOM 0 HA PRO A 19 62.720 2.880 8.687 1.00 0.00 H new ATOM 0 HB2 PRO A 19 63.004 5.038 10.361 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.391 4.375 9.520 1.00 0.00 H new ATOM 0 HG2 PRO A 19 62.769 6.815 8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 19 64.499 6.570 8.739 1.00 0.00 H new ATOM 0 HD2 PRO A 19 62.781 6.463 6.585 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.331 5.646 6.621 1.00 0.00 H new ATOM 197 N LEU A 20 60.477 3.132 9.658 1.00 0.00 N ATOM 198 CA LEU A 20 59.073 3.248 10.179 1.00 0.00 C ATOM 199 C LEU A 20 58.979 4.012 11.536 1.00 0.00 C ATOM 200 O LEU A 20 58.141 4.894 11.612 1.00 0.00 O ATOM 201 CB LEU A 20 58.515 1.817 10.252 1.00 0.00 C ATOM 202 CG LEU A 20 58.415 1.235 8.841 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.164 -0.271 8.926 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.256 1.902 8.096 1.00 0.00 C ATOM 0 H LEU A 20 60.938 2.246 9.866 1.00 0.00 H new ATOM 0 HA LEU A 20 58.470 3.859 9.507 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.163 1.194 10.869 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.533 1.822 10.725 1.00 0.00 H new ATOM 0 HG LEU A 20 59.347 1.419 8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 20 58.093 -0.685 7.920 1.00 0.00 H new ATOM 0 HD12 LEU A 20 58.988 -0.748 9.457 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.232 -0.455 9.461 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.184 1.488 7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.325 1.718 8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.433 2.976 8.035 1.00 0.00 H new ATOM 216 N PRO A 21 59.782 3.708 12.577 1.00 0.00 N ATOM 217 CA PRO A 21 59.836 4.639 13.746 1.00 0.00 C ATOM 218 C PRO A 21 60.541 5.941 13.350 1.00 0.00 C ATOM 219 O PRO A 21 61.230 5.993 12.345 1.00 0.00 O ATOM 220 CB PRO A 21 60.645 3.882 14.801 1.00 0.00 C ATOM 221 CG PRO A 21 61.465 2.908 14.028 1.00 0.00 C ATOM 222 CD PRO A 21 60.662 2.537 12.814 1.00 0.00 C ATOM 0 HA PRO A 21 58.847 4.917 14.110 1.00 0.00 H new ATOM 0 HB2 PRO A 21 61.275 4.560 15.377 1.00 0.00 H new ATOM 0 HB3 PRO A 21 59.992 3.374 15.510 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.420 3.348 13.741 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.688 2.026 14.629 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.306 2.345 11.956 1.00 0.00 H new ATOM 0 HD3 PRO A 21 60.080 1.631 12.985 1.00 0.00 H new ATOM 230 N LYS A 22 60.369 6.982 14.135 1.00 0.00 N ATOM 231 CA LYS A 22 61.046 8.288 13.837 1.00 0.00 C ATOM 232 C LYS A 22 62.474 8.277 14.392 1.00 0.00 C ATOM 233 O LYS A 22 62.688 8.533 15.565 1.00 0.00 O ATOM 234 CB LYS A 22 60.206 9.362 14.539 1.00 0.00 C ATOM 235 CG LYS A 22 58.818 9.435 13.897 1.00 0.00 C ATOM 236 CD LYS A 22 58.928 10.067 12.507 1.00 0.00 C ATOM 237 CE LYS A 22 57.527 10.383 11.978 1.00 0.00 C ATOM 238 NZ LYS A 22 57.021 9.091 11.438 1.00 0.00 N ATOM 0 H LYS A 22 59.786 6.983 14.972 1.00 0.00 H new ATOM 0 HA LYS A 22 61.116 8.474 12.765 1.00 0.00 H new ATOM 0 HB2 LYS A 22 60.114 9.129 15.600 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.702 10.330 14.466 1.00 0.00 H new ATOM 0 HG2 LYS A 22 58.389 8.436 13.820 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.147 10.023 14.523 1.00 0.00 H new ATOM 0 HD2 LYS A 22 59.524 10.978 12.556 1.00 0.00 H new ATOM 0 HD3 LYS A 22 59.441 9.387 11.826 1.00 0.00 H new ATOM 0 HE2 LYS A 22 56.881 10.760 12.771 1.00 0.00 H new ATOM 0 HE3 LYS A 22 57.561 11.149 11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 56.092 9.240 10.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 57.688 8.726 10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 56.929 8.403 12.213 1.00 0.00 H new ATOM 252 N VAL A 23 63.443 7.982 13.553 1.00 0.00 N ATOM 253 CA VAL A 23 64.867 7.928 14.010 1.00 0.00 C ATOM 254 C VAL A 23 65.803 8.423 12.894 1.00 0.00 C ATOM 255 O VAL A 23 65.579 8.152 11.727 1.00 0.00 O ATOM 256 CB VAL A 23 65.116 6.448 14.369 1.00 0.00 C ATOM 257 CG1 VAL A 23 64.948 5.542 13.140 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.533 6.280 14.931 1.00 0.00 C ATOM 0 H VAL A 23 63.304 7.775 12.564 1.00 0.00 H new ATOM 0 HA VAL A 23 65.062 8.573 14.867 1.00 0.00 H new ATOM 0 HB VAL A 23 64.381 6.156 15.119 1.00 0.00 H new ATOM 0 HG11 VAL A 23 65.130 4.506 13.424 1.00 0.00 H new ATOM 0 HG12 VAL A 23 63.934 5.639 12.752 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.661 5.837 12.370 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.703 5.233 15.183 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.261 6.596 14.184 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.644 6.891 15.827 1.00 0.00 H new ATOM 268 N GLU A 24 66.840 9.145 13.256 1.00 0.00 N ATOM 269 CA GLU A 24 67.843 9.617 12.251 1.00 0.00 C ATOM 270 C GLU A 24 69.222 9.032 12.573 1.00 0.00 C ATOM 271 O GLU A 24 69.843 9.408 13.551 1.00 0.00 O ATOM 272 CB GLU A 24 67.863 11.140 12.393 1.00 0.00 C ATOM 273 CG GLU A 24 66.523 11.722 11.932 1.00 0.00 C ATOM 274 CD GLU A 24 66.404 11.605 10.410 1.00 0.00 C ATOM 275 OE1 GLU A 24 67.376 11.897 9.732 1.00 0.00 O ATOM 276 OE2 GLU A 24 65.340 11.225 9.947 1.00 0.00 O ATOM 0 H GLU A 24 67.034 9.429 14.216 1.00 0.00 H new ATOM 0 HA GLU A 24 67.590 9.307 11.237 1.00 0.00 H new ATOM 0 HB2 GLU A 24 68.052 11.415 13.431 1.00 0.00 H new ATOM 0 HB3 GLU A 24 68.675 11.559 11.799 1.00 0.00 H new ATOM 0 HG2 GLU A 24 65.701 11.191 12.412 1.00 0.00 H new ATOM 0 HG3 GLU A 24 66.447 12.767 12.233 1.00 0.00 H new ATOM 283 N LEU A 25 69.695 8.119 11.753 1.00 0.00 N ATOM 284 CA LEU A 25 71.005 7.445 12.029 1.00 0.00 C ATOM 285 C LEU A 25 72.150 8.189 11.314 1.00 0.00 C ATOM 286 O LEU A 25 71.988 8.564 10.167 1.00 0.00 O ATOM 287 CB LEU A 25 70.854 6.030 11.463 1.00 0.00 C ATOM 288 CG LEU A 25 69.892 5.226 12.341 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.508 3.932 11.622 1.00 0.00 C ATOM 290 CD2 LEU A 25 70.571 4.890 13.672 1.00 0.00 C ATOM 0 H LEU A 25 69.226 7.812 10.901 1.00 0.00 H new ATOM 0 HA LEU A 25 71.245 7.436 13.092 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.478 6.074 10.441 1.00 0.00 H new ATOM 0 HB3 LEU A 25 71.825 5.537 11.425 1.00 0.00 H new ATOM 0 HG LEU A 25 68.996 5.816 12.532 1.00 0.00 H new ATOM 0 HD11 LEU A 25 68.823 3.358 12.246 1.00 0.00 H new ATOM 0 HD12 LEU A 25 69.023 4.172 10.676 1.00 0.00 H new ATOM 0 HD13 LEU A 25 70.405 3.342 11.431 1.00 0.00 H new ATOM 0 HD21 LEU A 25 69.885 4.318 14.296 1.00 0.00 H new ATOM 0 HD22 LEU A 25 71.468 4.300 13.484 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.844 5.813 14.184 1.00 0.00 H new ATOM 302 N PRO A 26 73.278 8.390 11.993 1.00 0.00 N ATOM 303 CA PRO A 26 74.459 9.041 11.341 1.00 0.00 C ATOM 304 C PRO A 26 74.944 8.240 10.111 1.00 0.00 C ATOM 305 O PRO A 26 74.550 7.102 9.940 1.00 0.00 O ATOM 306 CB PRO A 26 75.527 9.046 12.439 1.00 0.00 C ATOM 307 CG PRO A 26 74.763 8.925 13.712 1.00 0.00 C ATOM 308 CD PRO A 26 73.576 8.061 13.403 1.00 0.00 C ATOM 0 HA PRO A 26 74.225 10.038 10.967 1.00 0.00 H new ATOM 0 HB2 PRO A 26 76.225 8.218 12.316 1.00 0.00 H new ATOM 0 HB3 PRO A 26 76.114 9.964 12.416 1.00 0.00 H new ATOM 0 HG2 PRO A 26 75.377 8.479 14.494 1.00 0.00 H new ATOM 0 HG3 PRO A 26 74.449 9.904 14.073 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.804 7.003 13.530 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.733 8.286 14.056 1.00 0.00 H new ATOM 316 N PRO A 27 75.785 8.855 9.291 1.00 0.00 N ATOM 317 CA PRO A 27 76.211 8.226 8.001 1.00 0.00 C ATOM 318 C PRO A 27 77.068 6.963 8.207 1.00 0.00 C ATOM 319 O PRO A 27 77.347 6.266 7.250 1.00 0.00 O ATOM 320 CB PRO A 27 77.034 9.326 7.312 1.00 0.00 C ATOM 321 CG PRO A 27 76.671 10.583 8.029 1.00 0.00 C ATOM 322 CD PRO A 27 76.415 10.180 9.449 1.00 0.00 C ATOM 0 HA PRO A 27 75.353 7.890 7.419 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.103 9.124 7.385 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.794 9.393 6.251 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.477 11.315 7.969 1.00 0.00 H new ATOM 0 HG3 PRO A 27 75.788 11.044 7.588 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.336 10.126 10.029 1.00 0.00 H new ATOM 0 HD3 PRO A 27 75.758 10.884 9.960 1.00 0.00 H new ATOM 330 N ASP A 28 77.496 6.668 9.420 1.00 0.00 N ATOM 331 CA ASP A 28 78.313 5.427 9.653 1.00 0.00 C ATOM 332 C ASP A 28 77.417 4.178 9.657 1.00 0.00 C ATOM 333 O ASP A 28 77.856 3.095 9.298 1.00 0.00 O ATOM 334 CB ASP A 28 79.027 5.617 11.004 1.00 0.00 C ATOM 335 CG ASP A 28 78.016 5.813 12.143 1.00 0.00 C ATOM 336 OD1 ASP A 28 77.260 4.893 12.404 1.00 0.00 O ATOM 337 OD2 ASP A 28 78.022 6.879 12.736 1.00 0.00 O ATOM 0 H ASP A 28 77.315 7.230 10.252 1.00 0.00 H new ATOM 0 HA ASP A 28 79.041 5.277 8.856 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.651 4.749 11.214 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.690 6.481 10.950 1.00 0.00 H new ATOM 342 N PHE A 29 76.167 4.320 10.052 1.00 0.00 N ATOM 343 CA PHE A 29 75.239 3.134 10.113 1.00 0.00 C ATOM 344 C PHE A 29 75.076 2.489 8.731 1.00 0.00 C ATOM 345 O PHE A 29 75.136 1.281 8.604 1.00 0.00 O ATOM 346 CB PHE A 29 73.893 3.672 10.617 1.00 0.00 C ATOM 347 CG PHE A 29 73.759 3.625 12.120 1.00 0.00 C ATOM 348 CD1 PHE A 29 74.413 4.603 12.929 1.00 0.00 C ATOM 349 CD2 PHE A 29 72.979 2.596 12.732 1.00 0.00 C ATOM 350 CE1 PHE A 29 74.287 4.553 14.353 1.00 0.00 C ATOM 351 CE2 PHE A 29 72.852 2.545 14.155 1.00 0.00 C ATOM 352 CZ PHE A 29 73.506 3.525 14.966 1.00 0.00 C ATOM 0 H PHE A 29 75.749 5.206 10.335 1.00 0.00 H new ATOM 0 HA PHE A 29 75.635 2.362 10.773 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.771 4.701 10.280 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.086 3.092 10.168 1.00 0.00 H new ATOM 0 HD1 PHE A 29 75.003 5.380 12.466 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.485 1.856 12.119 1.00 0.00 H new ATOM 0 HE1 PHE A 29 74.782 5.292 14.965 1.00 0.00 H new ATOM 0 HE2 PHE A 29 72.263 1.767 14.617 1.00 0.00 H new ATOM 0 HZ PHE A 29 73.410 3.488 16.041 1.00 0.00 H new ATOM 362 N VAL A 30 74.882 3.286 7.703 1.00 0.00 N ATOM 363 CA VAL A 30 74.526 2.726 6.349 1.00 0.00 C ATOM 364 C VAL A 30 75.621 1.759 5.853 1.00 0.00 C ATOM 365 O VAL A 30 75.335 0.789 5.172 1.00 0.00 O ATOM 366 CB VAL A 30 74.358 3.947 5.418 1.00 0.00 C ATOM 367 CG1 VAL A 30 75.686 4.702 5.256 1.00 0.00 C ATOM 368 CG2 VAL A 30 73.860 3.484 4.045 1.00 0.00 C ATOM 0 H VAL A 30 74.954 4.303 7.740 1.00 0.00 H new ATOM 0 HA VAL A 30 73.608 2.139 6.378 1.00 0.00 H new ATOM 0 HB VAL A 30 73.630 4.623 5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 30 75.540 5.557 4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 30 76.028 5.050 6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.434 4.035 4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 30 73.742 4.348 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 30 74.583 2.794 3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 30 72.900 2.980 4.157 1.00 0.00 H new ATOM 378 N ASP A 31 76.860 2.027 6.202 1.00 0.00 N ATOM 379 CA ASP A 31 77.984 1.115 5.805 1.00 0.00 C ATOM 380 C ASP A 31 77.887 -0.202 6.579 1.00 0.00 C ATOM 381 O ASP A 31 78.076 -1.269 6.020 1.00 0.00 O ATOM 382 CB ASP A 31 79.279 1.852 6.167 1.00 0.00 C ATOM 383 CG ASP A 31 79.417 3.105 5.299 1.00 0.00 C ATOM 384 OD1 ASP A 31 79.180 3.007 4.106 1.00 0.00 O ATOM 385 OD2 ASP A 31 79.760 4.143 5.842 1.00 0.00 O ATOM 0 H ASP A 31 77.142 2.842 6.747 1.00 0.00 H new ATOM 0 HA ASP A 31 77.950 0.874 4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.270 2.127 7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 31 80.137 1.197 6.016 1.00 0.00 H new ATOM 390 N VAL A 32 77.586 -0.131 7.858 1.00 0.00 N ATOM 391 CA VAL A 32 77.528 -1.375 8.704 1.00 0.00 C ATOM 392 C VAL A 32 76.329 -2.232 8.269 1.00 0.00 C ATOM 393 O VAL A 32 76.423 -3.445 8.199 1.00 0.00 O ATOM 394 CB VAL A 32 77.381 -0.904 10.167 1.00 0.00 C ATOM 395 CG1 VAL A 32 77.353 -2.112 11.113 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.566 -0.012 10.553 1.00 0.00 C ATOM 0 H VAL A 32 77.378 0.735 8.354 1.00 0.00 H new ATOM 0 HA VAL A 32 78.423 -1.988 8.594 1.00 0.00 H new ATOM 0 HB VAL A 32 76.449 -0.345 10.254 1.00 0.00 H new ATOM 0 HG11 VAL A 32 77.249 -1.766 12.142 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.509 -2.754 10.859 1.00 0.00 H new ATOM 0 HG13 VAL A 32 78.281 -2.675 11.012 1.00 0.00 H new ATOM 0 HG21 VAL A 32 78.453 0.315 11.587 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.494 -0.575 10.450 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.595 0.859 9.898 1.00 0.00 H new ATOM 406 N ILE A 33 75.210 -1.605 7.975 1.00 0.00 N ATOM 407 CA ILE A 33 74.001 -2.361 7.487 1.00 0.00 C ATOM 408 C ILE A 33 74.313 -3.033 6.136 1.00 0.00 C ATOM 409 O ILE A 33 73.957 -4.176 5.914 1.00 0.00 O ATOM 410 CB ILE A 33 72.874 -1.309 7.351 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.566 -0.663 8.722 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.593 -1.946 6.785 1.00 0.00 C ATOM 413 CD1 ILE A 33 72.111 -1.710 9.753 1.00 0.00 C ATOM 0 H ILE A 33 75.080 -0.596 8.052 1.00 0.00 H new ATOM 0 HA ILE A 33 73.706 -3.157 8.171 1.00 0.00 H new ATOM 0 HB ILE A 33 73.220 -0.539 6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.454 -0.151 9.091 1.00 0.00 H new ATOM 0 HG13 ILE A 33 71.789 0.092 8.603 1.00 0.00 H new ATOM 0 HG21 ILE A 33 70.816 -1.186 6.699 1.00 0.00 H new ATOM 0 HG22 ILE A 33 71.800 -2.366 5.801 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.254 -2.737 7.454 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.904 -1.218 10.704 1.00 0.00 H new ATOM 0 HD12 ILE A 33 71.208 -2.204 9.395 1.00 0.00 H new ATOM 0 HD13 ILE A 33 72.899 -2.450 9.892 1.00 0.00 H new ATOM 425 N ARG A 34 74.977 -2.327 5.245 1.00 0.00 N ATOM 426 CA ARG A 34 75.344 -2.911 3.904 1.00 0.00 C ATOM 427 C ARG A 34 76.216 -4.166 4.065 1.00 0.00 C ATOM 428 O ARG A 34 76.037 -5.140 3.357 1.00 0.00 O ATOM 429 CB ARG A 34 76.126 -1.816 3.170 1.00 0.00 C ATOM 430 CG ARG A 34 76.303 -2.209 1.701 1.00 0.00 C ATOM 431 CD ARG A 34 76.956 -1.052 0.937 1.00 0.00 C ATOM 432 NE ARG A 34 78.357 -0.952 1.470 1.00 0.00 N ATOM 433 CZ ARG A 34 79.068 0.161 1.382 1.00 0.00 C ATOM 434 NH1 ARG A 34 78.612 1.253 0.807 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.275 0.173 1.879 1.00 0.00 N ATOM 0 H ARG A 34 75.283 -1.365 5.388 1.00 0.00 H new ATOM 0 HA ARG A 34 74.453 -3.215 3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.596 -0.866 3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.100 -1.674 3.639 1.00 0.00 H new ATOM 0 HG2 ARG A 34 76.921 -3.104 1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.336 -2.451 1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 34 76.958 -1.243 -0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.410 -0.122 1.094 1.00 0.00 H new ATOM 0 HE ARG A 34 78.774 -1.769 1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 34 77.674 1.265 0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 34 79.196 2.088 0.763 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.652 -0.664 2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 34 80.841 1.019 1.823 1.00 0.00 H new ATOM 449 N ILE A 35 77.147 -4.142 4.994 1.00 0.00 N ATOM 450 CA ILE A 35 78.048 -5.330 5.217 1.00 0.00 C ATOM 451 C ILE A 35 77.224 -6.522 5.737 1.00 0.00 C ATOM 452 O ILE A 35 77.429 -7.648 5.317 1.00 0.00 O ATOM 453 CB ILE A 35 79.099 -4.875 6.254 1.00 0.00 C ATOM 454 CG1 ILE A 35 79.923 -3.717 5.681 1.00 0.00 C ATOM 455 CG2 ILE A 35 80.052 -6.026 6.601 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.636 -2.984 6.819 1.00 0.00 C ATOM 0 H ILE A 35 77.324 -3.349 5.611 1.00 0.00 H new ATOM 0 HA ILE A 35 78.531 -5.659 4.297 1.00 0.00 H new ATOM 0 HB ILE A 35 78.573 -4.557 7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.652 -4.096 4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.274 -3.028 5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.784 -5.684 7.333 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.483 -6.857 7.018 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.567 -6.356 5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.222 -2.161 6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 35 79.898 -2.592 7.518 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.297 -3.676 7.340 1.00 0.00 H new ATOM 468 N LYS A 36 76.310 -6.274 6.647 1.00 0.00 N ATOM 469 CA LYS A 36 75.448 -7.380 7.193 1.00 0.00 C ATOM 470 C LYS A 36 74.544 -7.966 6.099 1.00 0.00 C ATOM 471 O LYS A 36 74.383 -9.170 6.006 1.00 0.00 O ATOM 472 CB LYS A 36 74.596 -6.744 8.296 1.00 0.00 C ATOM 473 CG LYS A 36 75.497 -6.315 9.455 1.00 0.00 C ATOM 474 CD LYS A 36 74.636 -5.785 10.604 1.00 0.00 C ATOM 475 CE LYS A 36 75.540 -5.260 11.721 1.00 0.00 C ATOM 476 NZ LYS A 36 74.670 -4.361 12.527 1.00 0.00 N ATOM 0 H LYS A 36 76.121 -5.351 7.038 1.00 0.00 H new ATOM 0 HA LYS A 36 76.058 -8.200 7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 36 74.057 -5.882 7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 36 73.848 -7.455 8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 36 76.096 -7.160 9.795 1.00 0.00 H new ATOM 0 HG3 LYS A 36 76.192 -5.544 9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 36 73.983 -4.989 10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 36 73.992 -6.578 10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 36 75.934 -6.076 12.327 1.00 0.00 H new ATOM 0 HE3 LYS A 36 76.397 -4.722 11.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 75.219 -3.961 13.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 74.315 -3.590 11.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 73.867 -4.903 12.905 1.00 0.00 H new ATOM 490 N LEU A 37 73.963 -7.123 5.277 1.00 0.00 N ATOM 491 CA LEU A 37 72.864 -7.575 4.360 1.00 0.00 C ATOM 492 C LEU A 37 73.417 -8.073 3.018 1.00 0.00 C ATOM 493 O LEU A 37 72.834 -8.945 2.399 1.00 0.00 O ATOM 494 CB LEU A 37 71.981 -6.344 4.144 1.00 0.00 C ATOM 495 CG LEU A 37 71.220 -6.022 5.433 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.572 -4.642 5.311 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.132 -7.074 5.660 1.00 0.00 C ATOM 0 H LEU A 37 74.204 -6.135 5.201 1.00 0.00 H new ATOM 0 HA LEU A 37 72.313 -8.410 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 37 72.594 -5.492 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.278 -6.527 3.331 1.00 0.00 H new ATOM 0 HG LEU A 37 71.913 -6.027 6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.030 -4.412 6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.344 -3.890 5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 37 69.879 -4.639 4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.590 -6.845 6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.439 -7.068 4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.591 -8.059 5.746 1.00 0.00 H new ATOM 509 N GLN A 38 74.529 -7.526 2.566 1.00 0.00 N ATOM 510 CA GLN A 38 75.066 -7.852 1.187 1.00 0.00 C ATOM 511 C GLN A 38 75.170 -9.368 0.943 1.00 0.00 C ATOM 512 O GLN A 38 75.419 -10.134 1.857 1.00 0.00 O ATOM 513 CB GLN A 38 76.459 -7.198 1.097 1.00 0.00 C ATOM 514 CG GLN A 38 77.380 -7.704 2.216 1.00 0.00 C ATOM 515 CD GLN A 38 78.842 -7.556 1.788 1.00 0.00 C ATOM 516 OE1 GLN A 38 79.450 -8.501 1.327 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.435 -6.401 1.919 1.00 0.00 N ATOM 0 H GLN A 38 75.095 -6.862 3.094 1.00 0.00 H new ATOM 0 HA GLN A 38 74.387 -7.471 0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 38 76.905 -7.418 0.127 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.361 -6.115 1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.200 -7.140 3.131 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.160 -8.748 2.437 1.00 0.00 H new ATOM 0 HE21 GLN A 38 78.925 -5.607 2.306 1.00 0.00 H new ATOM 0 HE22 GLN A 38 80.408 -6.292 1.634 1.00 0.00 H new ATOM 526 N GLY A 39 74.981 -9.786 -0.289 1.00 0.00 N ATOM 527 CA GLY A 39 74.919 -11.247 -0.612 1.00 0.00 C ATOM 528 C GLY A 39 73.461 -11.724 -0.678 1.00 0.00 C ATOM 529 O GLY A 39 73.159 -12.679 -1.372 1.00 0.00 O ATOM 0 H GLY A 39 74.866 -9.168 -1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.413 -11.436 -1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.460 -11.816 0.145 1.00 0.00 H new ATOM 533 N LYS A 40 72.564 -11.074 0.035 1.00 0.00 N ATOM 534 CA LYS A 40 71.110 -11.428 -0.053 1.00 0.00 C ATOM 535 C LYS A 40 70.431 -10.610 -1.155 1.00 0.00 C ATOM 536 O LYS A 40 70.888 -9.535 -1.504 1.00 0.00 O ATOM 537 CB LYS A 40 70.519 -11.077 1.315 1.00 0.00 C ATOM 538 CG LYS A 40 71.055 -12.050 2.367 1.00 0.00 C ATOM 539 CD LYS A 40 70.369 -11.781 3.708 1.00 0.00 C ATOM 540 CE LYS A 40 70.921 -12.740 4.766 1.00 0.00 C ATOM 541 NZ LYS A 40 70.131 -13.992 4.599 1.00 0.00 N ATOM 0 H LYS A 40 72.781 -10.311 0.676 1.00 0.00 H new ATOM 0 HA LYS A 40 70.962 -12.480 -0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.780 -10.054 1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.431 -11.129 1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 40 70.873 -13.078 2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.134 -11.934 2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 40 70.538 -10.749 4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 40 69.291 -11.912 3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 40 71.985 -12.922 4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 40 70.805 -12.330 5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 70.392 -14.669 5.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 69.116 -13.774 4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 70.332 -14.408 3.667 1.00 0.00 H new ATOM 555 N THR A 41 69.347 -11.119 -1.698 1.00 0.00 N ATOM 556 CA THR A 41 68.613 -10.393 -2.781 1.00 0.00 C ATOM 557 C THR A 41 67.410 -9.647 -2.199 1.00 0.00 C ATOM 558 O THR A 41 66.817 -10.080 -1.226 1.00 0.00 O ATOM 559 CB THR A 41 68.151 -11.486 -3.748 1.00 0.00 C ATOM 560 OG1 THR A 41 69.251 -12.324 -4.073 1.00 0.00 O ATOM 561 CG2 THR A 41 67.604 -10.842 -5.024 1.00 0.00 C ATOM 0 H THR A 41 68.938 -12.015 -1.433 1.00 0.00 H new ATOM 0 HA THR A 41 69.238 -9.649 -3.275 1.00 0.00 H new ATOM 0 HB THR A 41 67.367 -12.080 -3.278 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.957 -13.025 -4.691 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.275 -11.621 -5.712 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.760 -10.199 -4.774 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.386 -10.247 -5.496 1.00 0.00 H new ATOM 569 N VAL A 42 67.053 -8.531 -2.795 1.00 0.00 N ATOM 570 CA VAL A 42 65.954 -7.675 -2.240 1.00 0.00 C ATOM 571 C VAL A 42 64.947 -7.315 -3.340 1.00 0.00 C ATOM 572 O VAL A 42 65.317 -7.124 -4.488 1.00 0.00 O ATOM 573 CB VAL A 42 66.637 -6.405 -1.689 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.560 -6.784 -0.529 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.461 -5.703 -2.781 1.00 0.00 C ATOM 0 H VAL A 42 67.480 -8.174 -3.650 1.00 0.00 H new ATOM 0 HA VAL A 42 65.399 -8.195 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 42 65.861 -5.721 -1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 42 68.042 -5.887 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 42 66.976 -7.254 0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.320 -7.481 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 42 67.931 -4.812 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.231 -6.381 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.806 -5.418 -3.604 1.00 0.00 H new ATOM 585 N ARG A 43 63.685 -7.228 -2.986 1.00 0.00 N ATOM 586 CA ARG A 43 62.644 -6.729 -3.934 1.00 0.00 C ATOM 587 C ARG A 43 61.731 -5.722 -3.227 1.00 0.00 C ATOM 588 O ARG A 43 61.478 -5.836 -2.039 1.00 0.00 O ATOM 589 CB ARG A 43 61.852 -7.972 -4.343 1.00 0.00 C ATOM 590 CG ARG A 43 62.713 -8.851 -5.249 1.00 0.00 C ATOM 591 CD ARG A 43 61.914 -10.088 -5.675 1.00 0.00 C ATOM 592 NE ARG A 43 61.699 -10.886 -4.420 1.00 0.00 N ATOM 593 CZ ARG A 43 60.718 -11.765 -4.302 1.00 0.00 C ATOM 594 NH1 ARG A 43 59.869 -12.018 -5.274 1.00 0.00 N ATOM 595 NH2 ARG A 43 60.593 -12.414 -3.176 1.00 0.00 N ATOM 0 H ARG A 43 63.330 -7.487 -2.065 1.00 0.00 H new ATOM 0 HA ARG A 43 63.077 -6.220 -4.795 1.00 0.00 H new ATOM 0 HB2 ARG A 43 61.549 -8.531 -3.457 1.00 0.00 H new ATOM 0 HB3 ARG A 43 60.940 -7.680 -4.863 1.00 0.00 H new ATOM 0 HG2 ARG A 43 63.027 -8.288 -6.128 1.00 0.00 H new ATOM 0 HG3 ARG A 43 63.619 -9.154 -4.724 1.00 0.00 H new ATOM 0 HD2 ARG A 43 60.963 -9.804 -6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 43 62.459 -10.669 -6.420 1.00 0.00 H new ATOM 0 HE ARG A 43 62.331 -10.745 -3.632 1.00 0.00 H new ATOM 0 HH11 ARG A 43 59.952 -11.527 -6.164 1.00 0.00 H new ATOM 0 HH12 ARG A 43 59.127 -12.705 -5.137 1.00 0.00 H new ATOM 0 HH21 ARG A 43 61.244 -12.238 -2.411 1.00 0.00 H new ATOM 0 HH22 ARG A 43 59.844 -13.097 -3.061 1.00 0.00 H new ATOM 609 N THR A 44 61.231 -4.742 -3.951 1.00 0.00 N ATOM 610 CA THR A 44 60.386 -3.659 -3.325 1.00 0.00 C ATOM 611 C THR A 44 59.191 -4.248 -2.558 1.00 0.00 C ATOM 612 O THR A 44 58.561 -5.187 -3.012 1.00 0.00 O ATOM 613 CB THR A 44 59.883 -2.802 -4.492 1.00 0.00 C ATOM 614 OG1 THR A 44 60.968 -2.490 -5.352 1.00 0.00 O ATOM 615 CG2 THR A 44 59.274 -1.508 -3.949 1.00 0.00 C ATOM 0 H THR A 44 61.372 -4.643 -4.956 1.00 0.00 H new ATOM 0 HA THR A 44 60.967 -3.083 -2.605 1.00 0.00 H new ATOM 0 HB THR A 44 59.126 -3.354 -5.048 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.646 -1.943 -6.099 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.916 -0.898 -4.779 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.441 -1.747 -3.289 1.00 0.00 H new ATOM 0 HG23 THR A 44 60.031 -0.955 -3.392 1.00 0.00 H new ATOM 623 N GLY A 45 58.886 -3.695 -1.405 1.00 0.00 N ATOM 624 CA GLY A 45 57.703 -4.158 -0.615 1.00 0.00 C ATOM 625 C GLY A 45 58.124 -5.106 0.521 1.00 0.00 C ATOM 626 O GLY A 45 57.360 -5.322 1.446 1.00 0.00 O ATOM 0 H GLY A 45 59.414 -2.935 -0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.182 -3.296 -0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 45 57.000 -4.667 -1.274 1.00 0.00 H new ATOM 630 N ASP A 46 59.317 -5.673 0.466 1.00 0.00 N ATOM 631 CA ASP A 46 59.803 -6.545 1.594 1.00 0.00 C ATOM 632 C ASP A 46 59.961 -5.728 2.882 1.00 0.00 C ATOM 633 O ASP A 46 60.219 -4.539 2.837 1.00 0.00 O ATOM 634 CB ASP A 46 61.167 -7.091 1.155 1.00 0.00 C ATOM 635 CG ASP A 46 60.985 -8.110 0.027 1.00 0.00 C ATOM 636 OD1 ASP A 46 60.052 -8.895 0.101 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.789 -8.094 -0.890 1.00 0.00 O ATOM 0 H ASP A 46 59.971 -5.569 -0.309 1.00 0.00 H new ATOM 0 HA ASP A 46 59.093 -7.346 1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.804 -6.273 0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.670 -7.559 2.001 1.00 0.00 H new ATOM 642 N VAL A 47 59.806 -6.367 4.020 1.00 0.00 N ATOM 643 CA VAL A 47 59.977 -5.662 5.333 1.00 0.00 C ATOM 644 C VAL A 47 60.845 -6.527 6.258 1.00 0.00 C ATOM 645 O VAL A 47 60.597 -7.709 6.417 1.00 0.00 O ATOM 646 CB VAL A 47 58.554 -5.490 5.903 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.607 -4.749 7.245 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.689 -4.675 4.934 1.00 0.00 C ATOM 0 H VAL A 47 59.566 -7.356 4.095 1.00 0.00 H new ATOM 0 HA VAL A 47 60.471 -4.696 5.232 1.00 0.00 H new ATOM 0 HB VAL A 47 58.123 -6.481 6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.597 -4.634 7.637 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.208 -5.320 7.953 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.054 -3.766 7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.687 -4.561 5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 47 58.135 -3.691 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.629 -5.193 3.977 1.00 0.00 H new ATOM 658 N ILE A 48 61.852 -5.935 6.860 1.00 0.00 N ATOM 659 CA ILE A 48 62.756 -6.702 7.779 1.00 0.00 C ATOM 660 C ILE A 48 63.078 -5.869 9.026 1.00 0.00 C ATOM 661 O ILE A 48 63.191 -4.658 8.954 1.00 0.00 O ATOM 662 CB ILE A 48 64.034 -7.022 6.976 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.713 -5.737 6.455 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.674 -7.924 5.791 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.693 -5.181 7.501 1.00 0.00 C ATOM 0 H ILE A 48 62.087 -4.948 6.753 1.00 0.00 H new ATOM 0 HA ILE A 48 62.283 -7.621 8.126 1.00 0.00 H new ATOM 0 HB ILE A 48 64.735 -7.529 7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.245 -5.950 5.528 1.00 0.00 H new ATOM 0 HG13 ILE A 48 63.956 -4.988 6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.574 -8.152 5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.233 -8.850 6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 48 62.958 -7.412 5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.162 -4.276 7.115 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.152 -4.948 8.418 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.461 -5.925 7.712 1.00 0.00 H new ATOM 677 N GLY A 49 63.219 -6.518 10.161 1.00 0.00 N ATOM 678 CA GLY A 49 63.536 -5.793 11.431 1.00 0.00 C ATOM 679 C GLY A 49 64.977 -6.093 11.848 1.00 0.00 C ATOM 680 O GLY A 49 65.428 -7.222 11.761 1.00 0.00 O ATOM 0 H GLY A 49 63.126 -7.529 10.259 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.403 -4.720 11.292 1.00 0.00 H new ATOM 0 HA3 GLY A 49 62.848 -6.100 12.218 1.00 0.00 H new ATOM 684 N ILE A 50 65.695 -5.087 12.297 1.00 0.00 N ATOM 685 CA ILE A 50 67.099 -5.296 12.782 1.00 0.00 C ATOM 686 C ILE A 50 67.235 -4.718 14.199 1.00 0.00 C ATOM 687 O ILE A 50 66.845 -3.592 14.452 1.00 0.00 O ATOM 688 CB ILE A 50 68.003 -4.543 11.782 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.822 -5.118 10.369 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.477 -4.695 12.183 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.445 -4.167 9.344 1.00 0.00 C ATOM 0 H ILE A 50 65.365 -4.123 12.348 1.00 0.00 H new ATOM 0 HA ILE A 50 67.374 -6.349 12.833 1.00 0.00 H new ATOM 0 HB ILE A 50 67.722 -3.490 11.794 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.292 -6.099 10.302 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.762 -5.256 10.155 1.00 0.00 H new ATOM 0 HG21 ILE A 50 70.105 -4.160 11.471 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.627 -4.282 13.181 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.747 -5.751 12.183 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.316 -4.576 8.342 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.955 -3.195 9.405 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.508 -4.051 9.554 1.00 0.00 H new ATOM 703 N SER A 51 67.776 -5.492 15.114 1.00 0.00 N ATOM 704 CA SER A 51 68.075 -4.967 16.485 1.00 0.00 C ATOM 705 C SER A 51 69.485 -4.370 16.529 1.00 0.00 C ATOM 706 O SER A 51 70.454 -5.046 16.230 1.00 0.00 O ATOM 707 CB SER A 51 67.981 -6.181 17.413 1.00 0.00 C ATOM 708 OG SER A 51 69.034 -7.085 17.111 1.00 0.00 O ATOM 0 H SER A 51 68.024 -6.470 14.967 1.00 0.00 H new ATOM 0 HA SER A 51 67.384 -4.177 16.779 1.00 0.00 H new ATOM 0 HB2 SER A 51 68.046 -5.864 18.454 1.00 0.00 H new ATOM 0 HB3 SER A 51 67.017 -6.674 17.290 1.00 0.00 H new ATOM 0 HG SER A 51 69.689 -6.643 16.531 1.00 0.00 H new ATOM 714 N ILE A 52 69.598 -3.113 16.901 1.00 0.00 N ATOM 715 CA ILE A 52 70.941 -2.453 16.994 1.00 0.00 C ATOM 716 C ILE A 52 71.077 -1.768 18.362 1.00 0.00 C ATOM 717 O ILE A 52 70.200 -1.039 18.786 1.00 0.00 O ATOM 718 CB ILE A 52 70.982 -1.421 15.845 1.00 0.00 C ATOM 719 CG1 ILE A 52 70.800 -2.125 14.491 1.00 0.00 C ATOM 720 CG2 ILE A 52 72.334 -0.695 15.837 1.00 0.00 C ATOM 721 CD1 ILE A 52 70.502 -1.084 13.409 1.00 0.00 C ATOM 0 H ILE A 52 68.810 -2.513 17.146 1.00 0.00 H new ATOM 0 HA ILE A 52 71.763 -3.163 16.905 1.00 0.00 H new ATOM 0 HB ILE A 52 70.175 -0.705 16.001 1.00 0.00 H new ATOM 0 HG12 ILE A 52 71.701 -2.683 14.235 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.985 -2.846 14.551 1.00 0.00 H new ATOM 0 HG21 ILE A 52 72.353 0.030 15.023 1.00 0.00 H new ATOM 0 HG22 ILE A 52 72.475 -0.179 16.787 1.00 0.00 H new ATOM 0 HG23 ILE A 52 73.135 -1.420 15.695 1.00 0.00 H new ATOM 0 HD11 ILE A 52 70.373 -1.584 12.449 1.00 0.00 H new ATOM 0 HD12 ILE A 52 69.589 -0.546 13.664 1.00 0.00 H new ATOM 0 HD13 ILE A 52 71.332 -0.380 13.343 1.00 0.00 H new ATOM 733 N LEU A 53 72.178 -2.005 19.051 1.00 0.00 N ATOM 734 CA LEU A 53 72.457 -1.340 20.377 1.00 0.00 C ATOM 735 C LEU A 53 71.280 -1.500 21.354 1.00 0.00 C ATOM 736 O LEU A 53 71.021 -0.629 22.167 1.00 0.00 O ATOM 737 CB LEU A 53 72.699 0.142 20.057 1.00 0.00 C ATOM 738 CG LEU A 53 73.979 0.287 19.233 1.00 0.00 C ATOM 739 CD1 LEU A 53 74.057 1.703 18.658 1.00 0.00 C ATOM 740 CD2 LEU A 53 75.194 0.034 20.128 1.00 0.00 C ATOM 0 H LEU A 53 72.910 -2.645 18.743 1.00 0.00 H new ATOM 0 HA LEU A 53 73.317 -1.796 20.867 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.851 0.548 19.505 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.782 0.715 20.981 1.00 0.00 H new ATOM 0 HG LEU A 53 73.970 -0.437 18.418 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.969 1.807 18.070 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.192 1.885 18.020 1.00 0.00 H new ATOM 0 HD13 LEU A 53 74.066 2.427 19.473 1.00 0.00 H new ATOM 0 HD21 LEU A 53 76.106 0.137 19.541 1.00 0.00 H new ATOM 0 HD22 LEU A 53 75.203 0.758 20.943 1.00 0.00 H new ATOM 0 HD23 LEU A 53 75.139 -0.974 20.539 1.00 0.00 H new ATOM 752 N GLY A 54 70.577 -2.607 21.270 1.00 0.00 N ATOM 753 CA GLY A 54 69.462 -2.887 22.229 1.00 0.00 C ATOM 754 C GLY A 54 68.204 -2.092 21.845 1.00 0.00 C ATOM 755 O GLY A 54 67.364 -1.832 22.689 1.00 0.00 O ATOM 0 H GLY A 54 70.731 -3.334 20.571 1.00 0.00 H new ATOM 0 HA2 GLY A 54 69.237 -3.954 22.232 1.00 0.00 H new ATOM 0 HA3 GLY A 54 69.771 -2.623 23.241 1.00 0.00 H new ATOM 759 N LYS A 55 68.066 -1.705 20.590 1.00 0.00 N ATOM 760 CA LYS A 55 66.836 -0.978 20.142 1.00 0.00 C ATOM 761 C LYS A 55 66.349 -1.545 18.807 1.00 0.00 C ATOM 762 O LYS A 55 67.102 -1.614 17.851 1.00 0.00 O ATOM 763 CB LYS A 55 67.272 0.479 19.979 1.00 0.00 C ATOM 764 CG LYS A 55 67.598 1.074 21.351 1.00 0.00 C ATOM 765 CD LYS A 55 68.055 2.525 21.183 1.00 0.00 C ATOM 766 CE LYS A 55 66.853 3.403 20.829 1.00 0.00 C ATOM 767 NZ LYS A 55 67.231 4.771 21.280 1.00 0.00 N ATOM 0 H LYS A 55 68.759 -1.865 19.859 1.00 0.00 H new ATOM 0 HA LYS A 55 66.014 -1.079 20.851 1.00 0.00 H new ATOM 0 HB2 LYS A 55 68.145 0.537 19.329 1.00 0.00 H new ATOM 0 HB3 LYS A 55 66.480 1.055 19.501 1.00 0.00 H new ATOM 0 HG2 LYS A 55 66.720 1.030 21.996 1.00 0.00 H new ATOM 0 HG3 LYS A 55 68.379 0.489 21.836 1.00 0.00 H new ATOM 0 HD2 LYS A 55 68.519 2.880 22.103 1.00 0.00 H new ATOM 0 HD3 LYS A 55 68.810 2.591 20.399 1.00 0.00 H new ATOM 0 HE2 LYS A 55 66.650 3.382 19.758 1.00 0.00 H new ATOM 0 HE3 LYS A 55 65.950 3.057 21.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 66.456 5.432 21.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 67.411 4.761 22.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 68.090 5.076 20.780 1.00 0.00 H new ATOM 781 N GLU A 56 65.100 -1.950 18.742 1.00 0.00 N ATOM 782 CA GLU A 56 64.549 -2.540 17.478 1.00 0.00 C ATOM 783 C GLU A 56 64.134 -1.431 16.508 1.00 0.00 C ATOM 784 O GLU A 56 63.455 -0.493 16.887 1.00 0.00 O ATOM 785 CB GLU A 56 63.325 -3.357 17.903 1.00 0.00 C ATOM 786 CG GLU A 56 62.854 -4.220 16.730 1.00 0.00 C ATOM 787 CD GLU A 56 63.844 -5.366 16.500 1.00 0.00 C ATOM 788 OE1 GLU A 56 64.274 -5.960 17.475 1.00 0.00 O ATOM 789 OE2 GLU A 56 64.155 -5.630 15.350 1.00 0.00 O ATOM 0 H GLU A 56 64.436 -1.897 19.514 1.00 0.00 H new ATOM 0 HA GLU A 56 65.289 -3.155 16.966 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.574 -3.989 18.756 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.524 -2.691 18.223 1.00 0.00 H new ATOM 0 HG2 GLU A 56 61.861 -4.620 16.936 1.00 0.00 H new ATOM 0 HG3 GLU A 56 62.771 -3.612 15.829 1.00 0.00 H new ATOM 796 N VAL A 57 64.543 -1.537 15.263 1.00 0.00 N ATOM 797 CA VAL A 57 64.063 -0.587 14.209 1.00 0.00 C ATOM 798 C VAL A 57 63.538 -1.372 12.995 1.00 0.00 C ATOM 799 O VAL A 57 64.195 -2.273 12.503 1.00 0.00 O ATOM 800 CB VAL A 57 65.289 0.284 13.856 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.436 -0.570 13.295 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.895 1.344 12.821 1.00 0.00 C ATOM 0 H VAL A 57 65.195 -2.248 14.931 1.00 0.00 H new ATOM 0 HA VAL A 57 63.234 0.036 14.546 1.00 0.00 H new ATOM 0 HB VAL A 57 65.632 0.767 14.771 1.00 0.00 H new ATOM 0 HG11 VAL A 57 67.284 0.072 13.056 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.737 -1.308 14.038 1.00 0.00 H new ATOM 0 HG13 VAL A 57 66.102 -1.080 12.392 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.764 1.955 12.577 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.531 0.853 11.918 1.00 0.00 H new ATOM 0 HG23 VAL A 57 64.109 1.979 13.231 1.00 0.00 H new ATOM 812 N LYS A 58 62.359 -1.031 12.526 1.00 0.00 N ATOM 813 CA LYS A 58 61.781 -1.711 11.324 1.00 0.00 C ATOM 814 C LYS A 58 62.101 -0.911 10.059 1.00 0.00 C ATOM 815 O LYS A 58 61.901 0.291 10.017 1.00 0.00 O ATOM 816 CB LYS A 58 60.270 -1.739 11.567 1.00 0.00 C ATOM 817 CG LYS A 58 59.956 -2.669 12.741 1.00 0.00 C ATOM 818 CD LYS A 58 58.440 -2.770 12.923 1.00 0.00 C ATOM 819 CE LYS A 58 58.129 -3.591 14.176 1.00 0.00 C ATOM 820 NZ LYS A 58 58.223 -2.621 15.303 1.00 0.00 N ATOM 0 H LYS A 58 61.769 -0.304 12.930 1.00 0.00 H new ATOM 0 HA LYS A 58 62.190 -2.711 11.183 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.907 -0.733 11.779 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.754 -2.082 10.670 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.377 -3.657 12.558 1.00 0.00 H new ATOM 0 HG3 LYS A 58 60.418 -2.289 13.653 1.00 0.00 H new ATOM 0 HD2 LYS A 58 58.007 -1.774 13.011 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.988 -3.237 12.048 1.00 0.00 H new ATOM 0 HE2 LYS A 58 57.136 -4.036 14.120 1.00 0.00 H new ATOM 0 HE3 LYS A 58 58.839 -4.409 14.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 58.656 -3.086 16.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 58.808 -1.811 15.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 57.270 -2.288 15.555 1.00 0.00 H new ATOM 834 N PHE A 59 62.594 -1.573 9.035 1.00 0.00 N ATOM 835 CA PHE A 59 62.893 -0.881 7.743 1.00 0.00 C ATOM 836 C PHE A 59 62.037 -1.472 6.620 1.00 0.00 C ATOM 837 O PHE A 59 61.960 -2.679 6.467 1.00 0.00 O ATOM 838 CB PHE A 59 64.376 -1.150 7.477 1.00 0.00 C ATOM 839 CG PHE A 59 65.305 -0.531 8.496 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.170 0.849 8.848 1.00 0.00 C ATOM 841 CD2 PHE A 59 66.323 -1.326 9.107 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.053 1.431 9.809 1.00 0.00 C ATOM 843 CE2 PHE A 59 67.205 -0.743 10.069 1.00 0.00 C ATOM 844 CZ PHE A 59 67.070 0.635 10.420 1.00 0.00 C ATOM 0 H PHE A 59 62.803 -2.571 9.043 1.00 0.00 H new ATOM 0 HA PHE A 59 62.674 0.186 7.789 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.541 -2.227 7.457 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.632 -0.769 6.488 1.00 0.00 H new ATOM 0 HD1 PHE A 59 64.401 1.451 8.387 1.00 0.00 H new ATOM 0 HD2 PHE A 59 66.426 -2.368 8.842 1.00 0.00 H new ATOM 0 HE1 PHE A 59 65.952 2.473 10.074 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.974 -1.345 10.531 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.736 1.075 11.147 1.00 0.00 H new ATOM 854 N LYS A 60 61.399 -0.625 5.844 1.00 0.00 N ATOM 855 CA LYS A 60 60.651 -1.100 4.640 1.00 0.00 C ATOM 856 C LYS A 60 61.446 -0.788 3.370 1.00 0.00 C ATOM 857 O LYS A 60 62.005 0.286 3.239 1.00 0.00 O ATOM 858 CB LYS A 60 59.337 -0.317 4.653 1.00 0.00 C ATOM 859 CG LYS A 60 58.384 -0.905 3.610 1.00 0.00 C ATOM 860 CD LYS A 60 57.102 -0.071 3.557 1.00 0.00 C ATOM 861 CE LYS A 60 56.091 -0.748 2.630 1.00 0.00 C ATOM 862 NZ LYS A 60 55.020 0.267 2.423 1.00 0.00 N ATOM 0 H LYS A 60 61.366 0.383 5.997 1.00 0.00 H new ATOM 0 HA LYS A 60 60.483 -2.177 4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 60 58.883 -0.363 5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.526 0.735 4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 60 58.863 -0.917 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.147 -1.939 3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.682 0.033 4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.324 0.934 3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 60 56.552 -1.034 1.685 1.00 0.00 H new ATOM 0 HE3 LYS A 60 55.692 -1.658 3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 54.288 -0.124 1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 54.595 0.515 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 55.429 1.119 1.989 1.00 0.00 H new ATOM 876 N VAL A 61 61.495 -1.720 2.444 1.00 0.00 N ATOM 877 CA VAL A 61 62.205 -1.475 1.145 1.00 0.00 C ATOM 878 C VAL A 61 61.296 -0.645 0.231 1.00 0.00 C ATOM 879 O VAL A 61 60.275 -1.125 -0.232 1.00 0.00 O ATOM 880 CB VAL A 61 62.486 -2.865 0.537 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.249 -2.720 -0.786 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.340 -3.699 1.500 1.00 0.00 C ATOM 0 H VAL A 61 61.072 -2.644 2.533 1.00 0.00 H new ATOM 0 HA VAL A 61 63.136 -0.924 1.276 1.00 0.00 H new ATOM 0 HB VAL A 61 61.531 -3.360 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.441 -3.708 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.652 -2.138 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.196 -2.212 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.532 -4.678 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.287 -3.190 1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.809 -3.823 2.444 1.00 0.00 H new ATOM 892 N VAL A 62 61.670 0.587 -0.028 1.00 0.00 N ATOM 893 CA VAL A 62 60.782 1.515 -0.803 1.00 0.00 C ATOM 894 C VAL A 62 60.886 1.178 -2.294 1.00 0.00 C ATOM 895 O VAL A 62 59.889 1.136 -2.993 1.00 0.00 O ATOM 896 CB VAL A 62 61.293 2.944 -0.521 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.415 3.973 -1.243 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.247 3.236 0.983 1.00 0.00 C ATOM 0 H VAL A 62 62.559 0.992 0.266 1.00 0.00 H new ATOM 0 HA VAL A 62 59.735 1.423 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 62 62.319 3.015 -0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 62 60.786 4.977 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.447 3.789 -2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.387 3.886 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.610 4.247 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.221 3.148 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 62 61.878 2.521 1.512 1.00 0.00 H new ATOM 908 N GLN A 63 62.088 0.939 -2.773 1.00 0.00 N ATOM 909 CA GLN A 63 62.283 0.598 -4.219 1.00 0.00 C ATOM 910 C GLN A 63 63.668 -0.015 -4.444 1.00 0.00 C ATOM 911 O GLN A 63 64.665 0.499 -3.966 1.00 0.00 O ATOM 912 CB GLN A 63 62.160 1.927 -4.968 1.00 0.00 C ATOM 913 CG GLN A 63 61.941 1.654 -6.457 1.00 0.00 C ATOM 914 CD GLN A 63 61.412 2.919 -7.135 1.00 0.00 C ATOM 915 OE1 GLN A 63 61.896 4.005 -6.883 1.00 0.00 O ATOM 916 NE2 GLN A 63 60.432 2.825 -7.992 1.00 0.00 N ATOM 0 H GLN A 63 62.945 0.966 -2.220 1.00 0.00 H new ATOM 0 HA GLN A 63 61.553 -0.134 -4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.329 2.507 -4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 63 63.062 2.522 -4.825 1.00 0.00 H new ATOM 0 HG2 GLN A 63 62.877 1.343 -6.922 1.00 0.00 H new ATOM 0 HG3 GLN A 63 61.233 0.836 -6.587 1.00 0.00 H new ATOM 0 HE21 GLN A 63 60.025 1.914 -8.204 1.00 0.00 H new ATOM 0 HE22 GLN A 63 60.073 3.663 -8.450 1.00 0.00 H new ATOM 925 N ALA A 64 63.723 -1.113 -5.164 1.00 0.00 N ATOM 926 CA ALA A 64 65.035 -1.698 -5.577 1.00 0.00 C ATOM 927 C ALA A 64 65.316 -1.363 -7.045 1.00 0.00 C ATOM 928 O ALA A 64 64.439 -1.467 -7.885 1.00 0.00 O ATOM 929 CB ALA A 64 64.870 -3.207 -5.395 1.00 0.00 C ATOM 0 H ALA A 64 62.905 -1.631 -5.485 1.00 0.00 H new ATOM 0 HA ALA A 64 65.868 -1.307 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.794 -3.711 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.643 -3.425 -4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 64 64.055 -3.563 -6.025 1.00 0.00 H new ATOM 935 N TYR A 65 66.529 -0.961 -7.349 1.00 0.00 N ATOM 936 CA TYR A 65 66.886 -0.586 -8.755 1.00 0.00 C ATOM 937 C TYR A 65 68.170 -1.329 -9.190 1.00 0.00 C ATOM 938 O TYR A 65 69.197 -1.120 -8.577 1.00 0.00 O ATOM 939 CB TYR A 65 67.140 0.923 -8.702 1.00 0.00 C ATOM 940 CG TYR A 65 65.895 1.752 -8.912 1.00 0.00 C ATOM 941 CD1 TYR A 65 65.070 1.523 -10.056 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.544 2.767 -7.969 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.893 2.308 -10.257 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.368 3.553 -8.170 1.00 0.00 C ATOM 945 CZ TYR A 65 63.542 3.324 -9.314 1.00 0.00 C ATOM 946 OH TYR A 65 62.406 4.083 -9.508 1.00 0.00 O ATOM 0 H TYR A 65 67.292 -0.876 -6.677 1.00 0.00 H new ATOM 0 HA TYR A 65 66.104 -0.848 -9.468 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.577 1.176 -7.736 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.875 1.187 -9.463 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.336 0.757 -10.769 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.168 2.940 -7.104 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.269 2.134 -11.121 1.00 0.00 H new ATOM 0 HE2 TYR A 65 64.103 4.320 -7.458 1.00 0.00 H new ATOM 0 HH TYR A 65 62.207 4.588 -8.692 1.00 0.00 H new ATOM 956 N PRO A 66 68.120 -2.170 -10.219 1.00 0.00 N ATOM 957 CA PRO A 66 66.859 -2.754 -10.787 1.00 0.00 C ATOM 958 C PRO A 66 66.298 -3.821 -9.844 1.00 0.00 C ATOM 959 O PRO A 66 66.998 -4.305 -8.975 1.00 0.00 O ATOM 960 CB PRO A 66 67.323 -3.387 -12.097 1.00 0.00 C ATOM 961 CG PRO A 66 68.753 -3.730 -11.855 1.00 0.00 C ATOM 962 CD PRO A 66 69.299 -2.660 -10.952 1.00 0.00 C ATOM 0 HA PRO A 66 66.067 -2.018 -10.926 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.737 -4.273 -12.340 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.216 -2.695 -12.933 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.844 -4.713 -11.392 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.308 -3.767 -12.793 1.00 0.00 H new ATOM 0 HD2 PRO A 66 70.053 -3.058 -10.273 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.774 -1.862 -11.522 1.00 0.00 H new ATOM 970 N SER A 67 65.047 -4.188 -10.013 1.00 0.00 N ATOM 971 CA SER A 67 64.457 -5.287 -9.186 1.00 0.00 C ATOM 972 C SER A 67 64.386 -6.588 -10.018 1.00 0.00 C ATOM 973 O SER A 67 64.084 -6.517 -11.192 1.00 0.00 O ATOM 974 CB SER A 67 63.048 -4.805 -8.836 1.00 0.00 C ATOM 975 OG SER A 67 63.137 -3.651 -8.012 1.00 0.00 O ATOM 0 H SER A 67 64.409 -3.771 -10.691 1.00 0.00 H new ATOM 0 HA SER A 67 65.048 -5.502 -8.296 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.494 -4.574 -9.746 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.500 -5.593 -8.320 1.00 0.00 H new ATOM 0 HG SER A 67 63.706 -2.982 -8.446 1.00 0.00 H new ATOM 981 N PRO A 68 64.657 -7.748 -9.427 1.00 0.00 N ATOM 982 CA PRO A 68 65.384 -7.883 -8.121 1.00 0.00 C ATOM 983 C PRO A 68 66.874 -7.568 -8.297 1.00 0.00 C ATOM 984 O PRO A 68 67.384 -7.572 -9.404 1.00 0.00 O ATOM 985 CB PRO A 68 65.186 -9.354 -7.758 1.00 0.00 C ATOM 986 CG PRO A 68 65.012 -10.038 -9.070 1.00 0.00 C ATOM 987 CD PRO A 68 64.286 -9.068 -9.960 1.00 0.00 C ATOM 0 HA PRO A 68 65.017 -7.199 -7.355 1.00 0.00 H new ATOM 0 HB2 PRO A 68 66.045 -9.748 -7.215 1.00 0.00 H new ATOM 0 HB3 PRO A 68 64.314 -9.492 -7.119 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.977 -10.310 -9.497 1.00 0.00 H new ATOM 0 HG3 PRO A 68 64.443 -10.961 -8.955 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.590 -9.178 -11.001 1.00 0.00 H new ATOM 0 HD3 PRO A 68 63.208 -9.224 -9.924 1.00 0.00 H new ATOM 995 N LEU A 69 67.564 -7.293 -7.212 1.00 0.00 N ATOM 996 CA LEU A 69 69.059 -7.189 -7.258 1.00 0.00 C ATOM 997 C LEU A 69 69.676 -7.755 -5.974 1.00 0.00 C ATOM 998 O LEU A 69 69.030 -7.801 -4.943 1.00 0.00 O ATOM 999 CB LEU A 69 69.372 -5.690 -7.422 1.00 0.00 C ATOM 1000 CG LEU A 69 68.835 -4.868 -6.232 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.898 -4.812 -5.124 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.487 -3.440 -6.690 1.00 0.00 C ATOM 0 H LEU A 69 67.152 -7.135 -6.292 1.00 0.00 H new ATOM 0 HA LEU A 69 69.481 -7.766 -8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.450 -5.549 -7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.929 -5.324 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 69 67.934 -5.345 -5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.518 -4.231 -4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.130 -5.824 -4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.802 -4.342 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.109 -2.868 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.381 -2.956 -7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.725 -3.483 -7.468 1.00 0.00 H new ATOM 1014 N ARG A 70 70.917 -8.183 -6.042 1.00 0.00 N ATOM 1015 CA ARG A 70 71.671 -8.539 -4.799 1.00 0.00 C ATOM 1016 C ARG A 70 72.434 -7.314 -4.288 1.00 0.00 C ATOM 1017 O ARG A 70 72.961 -6.538 -5.066 1.00 0.00 O ATOM 1018 CB ARG A 70 72.645 -9.649 -5.211 1.00 0.00 C ATOM 1019 CG ARG A 70 71.985 -11.016 -5.013 1.00 0.00 C ATOM 1020 CD ARG A 70 72.708 -12.063 -5.868 1.00 0.00 C ATOM 1021 NE ARG A 70 74.050 -12.263 -5.218 1.00 0.00 N ATOM 1022 CZ ARG A 70 75.089 -12.743 -5.878 1.00 0.00 C ATOM 1023 NH1 ARG A 70 75.025 -13.099 -7.144 1.00 0.00 N ATOM 1024 NH2 ARG A 70 76.224 -12.878 -5.248 1.00 0.00 N ATOM 0 H ARG A 70 71.440 -8.301 -6.910 1.00 0.00 H new ATOM 0 HA ARG A 70 71.011 -8.868 -3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.935 -9.522 -6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.556 -9.585 -4.617 1.00 0.00 H new ATOM 0 HG2 ARG A 70 72.023 -11.301 -3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.933 -10.967 -5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 70 72.146 -12.997 -5.902 1.00 0.00 H new ATOM 0 HD3 ARG A 70 72.818 -11.720 -6.897 1.00 0.00 H new ATOM 0 HE ARG A 70 74.162 -12.020 -4.234 1.00 0.00 H new ATOM 0 HH11 ARG A 70 74.147 -13.009 -7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 70 75.853 -13.465 -7.613 1.00 0.00 H new ATOM 0 HH21 ARG A 70 76.296 -12.615 -4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 70 77.039 -13.247 -5.738 1.00 0.00 H new ATOM 1038 N VAL A 71 72.489 -7.147 -2.985 1.00 0.00 N ATOM 1039 CA VAL A 71 73.166 -5.947 -2.394 1.00 0.00 C ATOM 1040 C VAL A 71 74.677 -6.205 -2.323 1.00 0.00 C ATOM 1041 O VAL A 71 75.111 -7.223 -1.814 1.00 0.00 O ATOM 1042 CB VAL A 71 72.555 -5.769 -0.987 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.190 -4.569 -0.273 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.045 -5.524 -1.101 1.00 0.00 C ATOM 0 H VAL A 71 72.092 -7.794 -2.304 1.00 0.00 H new ATOM 0 HA VAL A 71 73.021 -5.045 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 71 72.747 -6.677 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 71 72.747 -4.459 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.263 -4.731 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.011 -3.664 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.620 -5.399 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 71 70.866 -4.623 -1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.574 -6.376 -1.592 1.00 0.00 H new ATOM 1054 N GLU A 72 75.466 -5.287 -2.834 1.00 0.00 N ATOM 1055 CA GLU A 72 76.952 -5.462 -2.843 1.00 0.00 C ATOM 1056 C GLU A 72 77.634 -4.199 -2.309 1.00 0.00 C ATOM 1057 O GLU A 72 77.013 -3.157 -2.197 1.00 0.00 O ATOM 1058 CB GLU A 72 77.310 -5.690 -4.312 1.00 0.00 C ATOM 1059 CG GLU A 72 78.770 -6.135 -4.424 1.00 0.00 C ATOM 1060 CD GLU A 72 79.097 -6.458 -5.884 1.00 0.00 C ATOM 1061 OE1 GLU A 72 78.728 -5.672 -6.741 1.00 0.00 O ATOM 1062 OE2 GLU A 72 79.712 -7.484 -6.119 1.00 0.00 O ATOM 0 H GLU A 72 75.138 -4.415 -3.249 1.00 0.00 H new ATOM 0 HA GLU A 72 77.279 -6.288 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 72 76.655 -6.447 -4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 72 77.155 -4.773 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 72 79.430 -5.348 -4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 72 78.943 -7.011 -3.799 1.00 0.00 H new ATOM 1069 N ASP A 73 78.905 -4.294 -1.979 1.00 0.00 N ATOM 1070 CA ASP A 73 79.677 -3.089 -1.501 1.00 0.00 C ATOM 1071 C ASP A 73 79.687 -1.979 -2.563 1.00 0.00 C ATOM 1072 O ASP A 73 79.795 -0.809 -2.237 1.00 0.00 O ATOM 1073 CB ASP A 73 81.105 -3.582 -1.243 1.00 0.00 C ATOM 1074 CG ASP A 73 81.889 -2.508 -0.488 1.00 0.00 C ATOM 1075 OD1 ASP A 73 81.778 -2.464 0.727 1.00 0.00 O ATOM 1076 OD2 ASP A 73 82.588 -1.746 -1.136 1.00 0.00 O ATOM 0 H ASP A 73 79.446 -5.158 -2.020 1.00 0.00 H new ATOM 0 HA ASP A 73 79.222 -2.665 -0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.083 -4.505 -0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 73 81.598 -3.810 -2.188 1.00 0.00 H new ATOM 1081 N ARG A 74 79.575 -2.343 -3.823 1.00 0.00 N ATOM 1082 CA ARG A 74 79.521 -1.316 -4.919 1.00 0.00 C ATOM 1083 C ARG A 74 78.106 -0.733 -5.067 1.00 0.00 C ATOM 1084 O ARG A 74 77.943 0.343 -5.618 1.00 0.00 O ATOM 1085 CB ARG A 74 79.924 -2.056 -6.199 1.00 0.00 C ATOM 1086 CG ARG A 74 81.388 -2.495 -6.101 1.00 0.00 C ATOM 1087 CD ARG A 74 82.299 -1.274 -6.231 1.00 0.00 C ATOM 1088 NE ARG A 74 83.689 -1.832 -6.274 1.00 0.00 N ATOM 1089 CZ ARG A 74 84.194 -2.389 -7.363 1.00 0.00 C ATOM 1090 NH1 ARG A 74 83.517 -2.491 -8.486 1.00 0.00 N ATOM 1091 NH2 ARG A 74 85.412 -2.854 -7.319 1.00 0.00 N ATOM 0 H ARG A 74 79.518 -3.311 -4.140 1.00 0.00 H new ATOM 0 HA ARG A 74 80.183 -0.477 -4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 74 79.283 -2.925 -6.346 1.00 0.00 H new ATOM 0 HB3 ARG A 74 79.786 -1.408 -7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 74 81.566 -2.994 -5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 74 81.615 -3.216 -6.886 1.00 0.00 H new ATOM 0 HD2 ARG A 74 82.073 -0.707 -7.134 1.00 0.00 H new ATOM 0 HD3 ARG A 74 82.172 -0.595 -5.388 1.00 0.00 H new ATOM 0 HE ARG A 74 84.266 -1.781 -5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 74 82.563 -2.133 -8.541 1.00 0.00 H new ATOM 0 HH12 ARG A 74 83.946 -2.928 -9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 74 85.954 -2.784 -6.458 1.00 0.00 H new ATOM 0 HH22 ARG A 74 85.823 -3.288 -8.146 1.00 0.00 H new ATOM 1105 N THR A 75 77.092 -1.425 -4.584 1.00 0.00 N ATOM 1106 CA THR A 75 75.694 -0.881 -4.649 1.00 0.00 C ATOM 1107 C THR A 75 75.493 0.182 -3.564 1.00 0.00 C ATOM 1108 O THR A 75 75.842 -0.026 -2.416 1.00 0.00 O ATOM 1109 CB THR A 75 74.767 -2.077 -4.405 1.00 0.00 C ATOM 1110 OG1 THR A 75 75.137 -3.143 -5.269 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.319 -1.671 -4.687 1.00 0.00 C ATOM 0 H THR A 75 77.175 -2.343 -4.148 1.00 0.00 H new ATOM 0 HA THR A 75 75.488 -0.408 -5.609 1.00 0.00 H new ATOM 0 HB THR A 75 74.856 -2.399 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.547 -3.910 -5.114 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.662 -2.523 -4.513 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.035 -0.853 -4.025 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.227 -1.348 -5.724 1.00 0.00 H new ATOM 1119 N LYS A 76 74.931 1.314 -3.930 1.00 0.00 N ATOM 1120 CA LYS A 76 74.751 2.436 -2.953 1.00 0.00 C ATOM 1121 C LYS A 76 73.410 2.294 -2.227 1.00 0.00 C ATOM 1122 O LYS A 76 72.429 1.872 -2.812 1.00 0.00 O ATOM 1123 CB LYS A 76 74.768 3.718 -3.793 1.00 0.00 C ATOM 1124 CG LYS A 76 76.154 3.908 -4.414 1.00 0.00 C ATOM 1125 CD LYS A 76 76.166 5.182 -5.260 1.00 0.00 C ATOM 1126 CE LYS A 76 77.358 5.149 -6.217 1.00 0.00 C ATOM 1127 NZ LYS A 76 78.555 5.329 -5.347 1.00 0.00 N ATOM 0 H LYS A 76 74.588 1.508 -4.871 1.00 0.00 H new ATOM 0 HA LYS A 76 75.531 2.441 -2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 76 74.012 3.661 -4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.517 4.576 -3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.909 3.972 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.408 3.047 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 76 75.236 5.266 -5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 76 76.228 6.059 -4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 76 77.403 4.205 -6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 76 77.288 5.942 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 79.374 5.587 -5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 78.372 6.084 -4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 78.755 4.441 -4.844 1.00 0.00 H new ATOM 1141 N ILE A 77 73.367 2.642 -0.961 1.00 0.00 N ATOM 1142 CA ILE A 77 72.084 2.573 -0.186 1.00 0.00 C ATOM 1143 C ILE A 77 71.806 3.939 0.459 1.00 0.00 C ATOM 1144 O ILE A 77 72.701 4.574 0.987 1.00 0.00 O ATOM 1145 CB ILE A 77 72.297 1.474 0.874 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.571 0.132 0.182 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.041 1.324 1.747 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.102 -0.877 1.201 1.00 0.00 C ATOM 0 H ILE A 77 74.171 2.973 -0.428 1.00 0.00 H new ATOM 0 HA ILE A 77 71.223 2.337 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 77 73.145 1.757 1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.656 -0.246 -0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.296 0.268 -0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.206 0.545 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 77 70.833 2.268 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.192 1.053 1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.295 -1.828 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.027 -0.501 1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.363 -1.022 1.989 1.00 0.00 H new ATOM 1160 N THR A 78 70.567 4.379 0.414 1.00 0.00 N ATOM 1161 CA THR A 78 70.212 5.734 0.937 1.00 0.00 C ATOM 1162 C THR A 78 69.023 5.641 1.898 1.00 0.00 C ATOM 1163 O THR A 78 68.123 4.842 1.702 1.00 0.00 O ATOM 1164 CB THR A 78 69.833 6.547 -0.303 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.850 6.408 -1.285 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.685 8.022 0.075 1.00 0.00 C ATOM 0 H THR A 78 69.783 3.850 0.033 1.00 0.00 H new ATOM 0 HA THR A 78 71.032 6.188 1.492 1.00 0.00 H new ATOM 0 HB THR A 78 68.887 6.181 -0.702 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.609 6.926 -2.081 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.415 8.599 -0.810 1.00 0.00 H new ATOM 0 HG22 THR A 78 68.905 8.128 0.829 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.629 8.392 0.475 1.00 0.00 H new ATOM 1174 N LEU A 79 69.024 6.451 2.933 1.00 0.00 N ATOM 1175 CA LEU A 79 67.860 6.507 3.870 1.00 0.00 C ATOM 1176 C LEU A 79 66.963 7.699 3.524 1.00 0.00 C ATOM 1177 O LEU A 79 67.414 8.832 3.504 1.00 0.00 O ATOM 1178 CB LEU A 79 68.474 6.685 5.260 1.00 0.00 C ATOM 1179 CG LEU A 79 69.235 5.418 5.654 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.197 5.735 6.800 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.242 4.346 6.107 1.00 0.00 C ATOM 0 H LEU A 79 69.791 7.081 3.168 1.00 0.00 H new ATOM 0 HA LEU A 79 67.240 5.612 3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.148 7.541 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 79 67.691 6.893 5.990 1.00 0.00 H new ATOM 0 HG LEU A 79 69.799 5.053 4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.739 4.832 7.080 1.00 0.00 H new ATOM 0 HD12 LEU A 79 70.906 6.499 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.633 6.101 7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.784 3.443 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.678 4.712 6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.555 4.118 5.292 1.00 0.00 H new ATOM 1193 N VAL A 80 65.702 7.445 3.255 1.00 0.00 N ATOM 1194 CA VAL A 80 64.747 8.549 2.913 1.00 0.00 C ATOM 1195 C VAL A 80 64.020 9.005 4.185 1.00 0.00 C ATOM 1196 O VAL A 80 63.627 8.192 5.003 1.00 0.00 O ATOM 1197 CB VAL A 80 63.760 7.943 1.894 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.716 8.987 1.476 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.515 7.481 0.641 1.00 0.00 C ATOM 0 H VAL A 80 65.291 6.512 3.258 1.00 0.00 H new ATOM 0 HA VAL A 80 65.248 9.423 2.496 1.00 0.00 H new ATOM 0 HB VAL A 80 63.264 7.095 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 80 62.027 8.545 0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.161 9.318 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.217 9.841 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.810 7.055 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.021 8.333 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.252 6.727 0.918 1.00 0.00 H new ATOM 1209 N THR A 81 63.849 10.298 4.344 1.00 0.00 N ATOM 1210 CA THR A 81 63.029 10.829 5.475 1.00 0.00 C ATOM 1211 C THR A 81 62.323 12.121 5.056 1.00 0.00 C ATOM 1212 O THR A 81 62.619 12.683 4.016 1.00 0.00 O ATOM 1213 CB THR A 81 64.030 11.103 6.599 1.00 0.00 C ATOM 1214 OG1 THR A 81 65.087 11.913 6.104 1.00 0.00 O ATOM 1215 CG2 THR A 81 64.598 9.779 7.116 1.00 0.00 C ATOM 0 H THR A 81 64.247 11.011 3.732 1.00 0.00 H new ATOM 0 HA THR A 81 62.252 10.130 5.785 1.00 0.00 H new ATOM 0 HB THR A 81 63.526 11.622 7.415 1.00 0.00 H new ATOM 0 HG1 THR A 81 65.728 12.090 6.824 1.00 0.00 H new ATOM 0 HG21 THR A 81 65.311 9.977 7.917 1.00 0.00 H new ATOM 0 HG22 THR A 81 63.787 9.159 7.498 1.00 0.00 H new ATOM 0 HG23 THR A 81 65.102 9.257 6.303 1.00 0.00 H new ATOM 1223 N HIS A 82 61.395 12.588 5.862 1.00 0.00 N ATOM 1224 CA HIS A 82 60.647 13.841 5.535 1.00 0.00 C ATOM 1225 C HIS A 82 61.017 14.957 6.532 1.00 0.00 C ATOM 1226 O HIS A 82 60.463 14.999 7.617 1.00 0.00 O ATOM 1227 CB HIS A 82 59.171 13.463 5.668 1.00 0.00 C ATOM 1228 CG HIS A 82 58.698 12.507 4.607 1.00 0.00 C ATOM 1229 ND1 HIS A 82 58.679 11.135 4.802 1.00 0.00 N ATOM 1230 CD2 HIS A 82 58.223 12.710 3.334 1.00 0.00 C ATOM 1231 CE1 HIS A 82 58.208 10.571 3.676 1.00 0.00 C ATOM 1232 NE2 HIS A 82 57.915 11.485 2.748 1.00 0.00 N ATOM 0 H HIS A 82 61.124 12.147 6.741 1.00 0.00 H new ATOM 0 HA HIS A 82 60.882 14.218 4.540 1.00 0.00 H new ATOM 0 HB2 HIS A 82 59.006 13.016 6.648 1.00 0.00 H new ATOM 0 HB3 HIS A 82 58.567 14.369 5.625 1.00 0.00 H new ATOM 0 HD2 HIS A 82 58.106 13.673 2.860 1.00 0.00 H new ATOM 0 HE1 HIS A 82 58.082 9.507 3.539 1.00 0.00 H new ATOM 0 HE2 HIS A 82 57.545 11.321 1.812 1.00 0.00 H new ATOM 1240 N PRO A 83 61.941 15.834 6.151 1.00 0.00 N ATOM 1241 CA PRO A 83 62.342 16.955 7.052 1.00 0.00 C ATOM 1242 C PRO A 83 61.168 17.918 7.274 1.00 0.00 C ATOM 1243 O PRO A 83 60.219 17.851 6.510 1.00 0.00 O ATOM 1244 CB PRO A 83 63.491 17.652 6.307 1.00 0.00 C ATOM 1245 CG PRO A 83 63.900 16.709 5.222 1.00 0.00 C ATOM 1246 CD PRO A 83 62.697 15.877 4.887 1.00 0.00 C ATOM 1247 OXT PRO A 83 61.239 18.703 8.206 1.00 0.00 O ATOM 0 HA PRO A 83 62.642 16.609 8.041 1.00 0.00 H new ATOM 0 HB2 PRO A 83 63.167 18.607 5.894 1.00 0.00 H new ATOM 0 HB3 PRO A 83 64.324 17.861 6.979 1.00 0.00 H new ATOM 0 HG2 PRO A 83 64.246 17.257 4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 83 64.726 16.078 5.551 1.00 0.00 H new ATOM 0 HD2 PRO A 83 62.111 16.325 4.085 1.00 0.00 H new ATOM 0 HD3 PRO A 83 62.980 14.878 4.555 1.00 0.00 H new TER 1255 PRO A 83