USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 572 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 82 LYS NZ :NH3+ 162:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 84 THR OG1 : rot 110:sc= 1.03 USER MOD Set 2.1: A 31 SER OG : rot -150:sc= 0 USER MOD Set 2.2: A 33 SER OG : rot -162:sc= 1.64 USER MOD Set 2.3: A 70 ASN : amide:sc= 0.384 K(o=2,f=0.44) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 1.12 USER MOD Set 3.2: A 20 LYS NZ :NH3+ 160:sc= 1.22 (180deg=0) USER MOD Set 4.1: A 9 MET CE :methyl 180:sc= -1.14 (180deg=-1.14) USER MOD Set 4.2: A 27 SER OG : rot -49:sc= 0.394 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.899 F(o=-2!,f=-0.9) USER MOD Single : A 21 THR OG1 : rot 19:sc= 0.766 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0501 X(o=-0.05,f=-0.042) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 40 TYR OH : rot 165:sc= 0 USER MOD Single : A 62 TYR OH : rot 118:sc= 0.0434 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.62) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= 1.21 (180deg=1.08) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 163:sc= -0.476 (180deg=-1.21) USER MOD Single : A 87 HIS : no HD1:sc= -0.14 X(o=-0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -12.036 -15.000 7.380 1.00 33.35 N ATOM 38 CA VAL A 5 -12.550 -13.918 6.603 1.00 31.42 C ATOM 39 C VAL A 5 -14.070 -14.019 6.588 1.00 62.01 C ATOM 40 O VAL A 5 -14.619 -14.988 6.058 1.00 65.14 O ATOM 41 CB VAL A 5 -12.045 -13.983 5.149 1.00 21.15 C ATOM 42 CG1 VAL A 5 -12.390 -12.713 4.400 1.00 23.01 C ATOM 43 CG2 VAL A 5 -10.561 -14.267 5.075 1.00 44.34 C ATOM 0 HA VAL A 5 -12.215 -12.980 7.046 1.00 31.42 H new ATOM 0 HB VAL A 5 -12.557 -14.817 4.668 1.00 21.15 H new ATOM 0 HG11 VAL A 5 -12.023 -12.783 3.376 1.00 23.01 H new ATOM 0 HG12 VAL A 5 -13.472 -12.579 4.389 1.00 23.01 H new ATOM 0 HG13 VAL A 5 -11.924 -11.861 4.895 1.00 23.01 H new ATOM 0 HG21 VAL A 5 -10.249 -14.304 4.031 1.00 44.34 H new ATOM 0 HG22 VAL A 5 -10.013 -13.477 5.590 1.00 44.34 H new ATOM 0 HG23 VAL A 5 -10.350 -15.225 5.551 1.00 44.34 H new ATOM 53 N PRO A 6 -14.770 -13.039 7.171 1.00 64.50 N ATOM 54 CA PRO A 6 -16.220 -13.041 7.201 1.00 62.41 C ATOM 55 C PRO A 6 -16.796 -12.731 5.823 1.00 5.22 C ATOM 56 O PRO A 6 -16.152 -12.079 4.999 1.00 31.04 O ATOM 57 CB PRO A 6 -16.570 -11.937 8.199 1.00 5.11 C ATOM 58 CG PRO A 6 -15.400 -11.022 8.180 1.00 71.54 C ATOM 59 CD PRO A 6 -14.201 -11.866 7.851 1.00 22.34 C ATOM 0 HA PRO A 6 -16.631 -14.010 7.485 1.00 62.41 H new ATOM 0 HB2 PRO A 6 -17.483 -11.417 7.909 1.00 5.11 H new ATOM 0 HB3 PRO A 6 -16.738 -12.344 9.196 1.00 5.11 H new ATOM 0 HG2 PRO A 6 -15.535 -10.235 7.438 1.00 71.54 H new ATOM 0 HG3 PRO A 6 -15.276 -10.532 9.146 1.00 71.54 H new ATOM 0 HD2 PRO A 6 -13.501 -11.332 7.208 1.00 22.34 H new ATOM 0 HD3 PRO A 6 -13.654 -12.151 8.750 1.00 22.34 H new ATOM 67 N ALA A 7 -18.011 -13.164 5.596 1.00 44.13 N ATOM 68 CA ALA A 7 -18.682 -13.025 4.304 1.00 40.40 C ATOM 69 C ALA A 7 -19.077 -11.575 3.965 1.00 3.12 C ATOM 70 O ALA A 7 -19.761 -11.332 2.985 1.00 0.21 O ATOM 71 CB ALA A 7 -19.891 -13.937 4.252 1.00 34.30 C ATOM 0 H ALA A 7 -18.578 -13.630 6.304 1.00 44.13 H new ATOM 0 HA ALA A 7 -17.961 -13.321 3.542 1.00 40.40 H new ATOM 0 HB1 ALA A 7 -20.387 -13.829 3.287 1.00 34.30 H new ATOM 0 HB2 ALA A 7 -19.573 -14.971 4.383 1.00 34.30 H new ATOM 0 HB3 ALA A 7 -20.585 -13.668 5.049 1.00 34.30 H new ATOM 77 N ASP A 8 -18.658 -10.635 4.763 1.00 54.34 N ATOM 78 CA ASP A 8 -18.912 -9.227 4.466 1.00 40.33 C ATOM 79 C ASP A 8 -17.628 -8.554 4.075 1.00 31.44 C ATOM 80 O ASP A 8 -17.622 -7.399 3.666 1.00 32.11 O ATOM 81 CB ASP A 8 -19.494 -8.478 5.674 1.00 45.35 C ATOM 82 CG ASP A 8 -20.846 -8.966 6.117 1.00 44.20 C ATOM 83 OD1 ASP A 8 -21.866 -8.471 5.597 1.00 74.21 O ATOM 84 OD2 ASP A 8 -20.910 -9.831 7.014 1.00 44.51 O ATOM 0 H ASP A 8 -18.139 -10.802 5.625 1.00 54.34 H new ATOM 0 HA ASP A 8 -19.637 -9.196 3.653 1.00 40.33 H new ATOM 0 HB2 ASP A 8 -18.799 -8.565 6.509 1.00 45.35 H new ATOM 0 HB3 ASP A 8 -19.566 -7.419 5.428 1.00 45.35 H new ATOM 89 N MET A 9 -16.538 -9.276 4.187 1.00 60.34 N ATOM 90 CA MET A 9 -15.234 -8.692 3.995 1.00 42.12 C ATOM 91 C MET A 9 -14.413 -9.528 3.032 1.00 1.04 C ATOM 92 O MET A 9 -14.637 -10.730 2.878 1.00 44.41 O ATOM 93 CB MET A 9 -14.507 -8.623 5.346 1.00 4.24 C ATOM 94 CG MET A 9 -15.238 -7.844 6.444 1.00 71.24 C ATOM 95 SD MET A 9 -15.350 -6.071 6.145 1.00 11.40 S ATOM 96 CE MET A 9 -13.628 -5.592 6.287 1.00 42.25 C ATOM 0 H MET A 9 -16.530 -10.271 4.411 1.00 60.34 H new ATOM 0 HA MET A 9 -15.355 -7.691 3.580 1.00 42.12 H new ATOM 0 HB2 MET A 9 -14.333 -9.640 5.699 1.00 4.24 H new ATOM 0 HB3 MET A 9 -13.529 -8.168 5.191 1.00 4.24 H new ATOM 0 HG2 MET A 9 -16.245 -8.247 6.550 1.00 71.24 H new ATOM 0 HG3 MET A 9 -14.727 -8.009 7.392 1.00 71.24 H new ATOM 0 HE1 MET A 9 -13.535 -4.518 6.126 1.00 42.25 H new ATOM 0 HE2 MET A 9 -13.261 -5.843 7.282 1.00 42.25 H new ATOM 0 HE3 MET A 9 -13.040 -6.123 5.539 1.00 42.25 H new ATOM 106 N ILE A 10 -13.480 -8.899 2.388 1.00 53.13 N ATOM 107 CA ILE A 10 -12.557 -9.569 1.510 1.00 41.40 C ATOM 108 C ILE A 10 -11.126 -9.449 2.058 1.00 52.31 C ATOM 109 O ILE A 10 -10.692 -8.374 2.474 1.00 32.25 O ATOM 110 CB ILE A 10 -12.703 -9.100 -0.001 1.00 62.51 C ATOM 111 CG1 ILE A 10 -12.745 -7.598 -0.171 1.00 22.13 C ATOM 112 CG2 ILE A 10 -13.890 -9.703 -0.690 1.00 61.34 C ATOM 113 CD1 ILE A 10 -11.410 -6.918 -0.207 1.00 31.43 C ATOM 0 H ILE A 10 -13.332 -7.892 2.455 1.00 53.13 H new ATOM 0 HA ILE A 10 -12.807 -10.630 1.490 1.00 41.40 H new ATOM 0 HB ILE A 10 -11.794 -9.470 -0.475 1.00 62.51 H new ATOM 0 HG12 ILE A 10 -13.276 -7.369 -1.095 1.00 22.13 H new ATOM 0 HG13 ILE A 10 -13.328 -7.173 0.646 1.00 22.13 H new ATOM 0 HG21 ILE A 10 -13.935 -9.344 -1.718 1.00 61.34 H new ATOM 0 HG22 ILE A 10 -13.799 -10.789 -0.688 1.00 61.34 H new ATOM 0 HG23 ILE A 10 -14.801 -9.415 -0.165 1.00 61.34 H new ATOM 0 HD11 ILE A 10 -11.552 -5.844 -0.332 1.00 31.43 H new ATOM 0 HD12 ILE A 10 -10.880 -7.108 0.726 1.00 31.43 H new ATOM 0 HD13 ILE A 10 -10.826 -7.306 -1.042 1.00 31.43 H new ATOM 125 N ASN A 11 -10.426 -10.556 2.121 1.00 54.11 N ATOM 126 CA ASN A 11 -9.074 -10.570 2.669 1.00 71.24 C ATOM 127 C ASN A 11 -8.143 -10.179 1.555 1.00 44.04 C ATOM 128 O ASN A 11 -8.015 -10.893 0.570 1.00 2.34 O ATOM 129 CB ASN A 11 -8.753 -11.981 3.217 1.00 21.21 C ATOM 130 CG ASN A 11 -7.443 -12.130 4.034 1.00 21.03 C ATOM 131 OD1 ASN A 11 -6.432 -11.365 3.732 1.00 33.32 O flip ATOM 132 ND2 ASN A 11 -7.372 -12.964 4.943 1.00 10.13 N flip ATOM 0 H ASN A 11 -10.763 -11.464 1.801 1.00 54.11 H new ATOM 0 HA ASN A 11 -8.965 -9.871 3.498 1.00 71.24 H new ATOM 0 HB2 ASN A 11 -9.584 -12.299 3.846 1.00 21.21 H new ATOM 0 HB3 ASN A 11 -8.709 -12.671 2.375 1.00 21.21 H new ATOM 0 HD21 ASN A 11 -8.177 -13.551 5.160 1.00 10.13 H new ATOM 0 HD22 ASN A 11 -6.508 -13.065 5.476 1.00 10.13 H new ATOM 139 N LEU A 12 -7.509 -9.056 1.697 1.00 14.13 N ATOM 140 CA LEU A 12 -6.716 -8.512 0.635 1.00 53.45 C ATOM 141 C LEU A 12 -5.268 -8.310 1.024 1.00 34.13 C ATOM 142 O LEU A 12 -4.958 -7.779 2.090 1.00 50.24 O ATOM 143 CB LEU A 12 -7.348 -7.196 0.183 1.00 50.34 C ATOM 144 CG LEU A 12 -6.559 -6.341 -0.804 1.00 45.11 C ATOM 145 CD1 LEU A 12 -6.255 -7.073 -2.094 1.00 2.54 C ATOM 146 CD2 LEU A 12 -7.282 -5.037 -1.056 1.00 62.44 C ATOM 0 H LEU A 12 -7.525 -8.492 2.547 1.00 14.13 H new ATOM 0 HA LEU A 12 -6.704 -9.230 -0.185 1.00 53.45 H new ATOM 0 HB2 LEU A 12 -8.315 -7.423 -0.266 1.00 50.34 H new ATOM 0 HB3 LEU A 12 -7.542 -6.593 1.070 1.00 50.34 H new ATOM 0 HG LEU A 12 -5.592 -6.120 -0.352 1.00 45.11 H new ATOM 0 HD11 LEU A 12 -5.692 -6.419 -2.760 1.00 2.54 H new ATOM 0 HD12 LEU A 12 -5.665 -7.964 -1.877 1.00 2.54 H new ATOM 0 HD13 LEU A 12 -7.188 -7.365 -2.576 1.00 2.54 H new ATOM 0 HD21 LEU A 12 -6.710 -4.434 -1.762 1.00 62.44 H new ATOM 0 HD22 LEU A 12 -8.269 -5.242 -1.470 1.00 62.44 H new ATOM 0 HD23 LEU A 12 -7.389 -4.493 -0.118 1.00 62.44 H new ATOM 158 N ARG A 13 -4.392 -8.747 0.154 1.00 30.04 N ATOM 159 CA ARG A 13 -3.002 -8.530 0.318 1.00 54.33 C ATOM 160 C ARG A 13 -2.545 -7.511 -0.704 1.00 52.41 C ATOM 161 O ARG A 13 -2.677 -7.714 -1.912 1.00 3.41 O ATOM 162 CB ARG A 13 -2.254 -9.839 0.141 1.00 64.41 C ATOM 163 CG ARG A 13 -0.775 -9.752 0.441 1.00 51.51 C ATOM 164 CD ARG A 13 -0.176 -11.123 0.407 1.00 50.43 C ATOM 165 NE ARG A 13 1.247 -11.136 0.751 1.00 31.50 N ATOM 166 CZ ARG A 13 2.058 -12.194 0.597 1.00 22.31 C ATOM 167 NH1 ARG A 13 1.570 -13.352 0.162 1.00 50.23 N ATOM 168 NH2 ARG A 13 3.350 -12.097 0.917 1.00 64.25 N ATOM 0 H ARG A 13 -4.639 -9.265 -0.689 1.00 30.04 H new ATOM 0 HA ARG A 13 -2.796 -8.152 1.319 1.00 54.33 H new ATOM 0 HB2 ARG A 13 -2.702 -10.591 0.791 1.00 64.41 H new ATOM 0 HB3 ARG A 13 -2.386 -10.184 -0.884 1.00 64.41 H new ATOM 0 HG2 ARG A 13 -0.282 -9.110 -0.290 1.00 51.51 H new ATOM 0 HG3 ARG A 13 -0.618 -9.299 1.420 1.00 51.51 H new ATOM 0 HD2 ARG A 13 -0.717 -11.767 1.100 1.00 50.43 H new ATOM 0 HD3 ARG A 13 -0.307 -11.546 -0.589 1.00 50.43 H new ATOM 0 HE ARG A 13 1.650 -10.281 1.135 1.00 31.50 H new ATOM 0 HH11 ARG A 13 0.577 -13.438 -0.055 1.00 50.23 H new ATOM 0 HH12 ARG A 13 2.189 -14.155 0.046 1.00 50.23 H new ATOM 0 HH21 ARG A 13 3.721 -11.219 1.279 1.00 64.25 H new ATOM 0 HH22 ARG A 13 3.966 -12.901 0.800 1.00 64.25 H new ATOM 182 N LEU A 14 -2.005 -6.454 -0.210 1.00 62.41 N ATOM 183 CA LEU A 14 -1.514 -5.352 -1.005 1.00 62.14 C ATOM 184 C LEU A 14 -0.014 -5.489 -1.146 1.00 51.41 C ATOM 185 O LEU A 14 0.711 -5.521 -0.146 1.00 21.43 O ATOM 186 CB LEU A 14 -1.860 -3.965 -0.331 1.00 62.42 C ATOM 187 CG LEU A 14 -3.345 -3.585 -0.177 1.00 51.12 C ATOM 188 CD1 LEU A 14 -4.061 -3.508 -1.513 1.00 62.33 C ATOM 189 CD2 LEU A 14 -4.086 -4.496 0.780 1.00 61.31 C ATOM 0 H LEU A 14 -1.882 -6.314 0.793 1.00 62.41 H new ATOM 0 HA LEU A 14 -1.993 -5.379 -1.984 1.00 62.14 H new ATOM 0 HB2 LEU A 14 -1.408 -3.954 0.661 1.00 62.42 H new ATOM 0 HB3 LEU A 14 -1.373 -3.181 -0.912 1.00 62.42 H new ATOM 0 HG LEU A 14 -3.349 -2.586 0.260 1.00 51.12 H new ATOM 0 HD11 LEU A 14 -5.104 -3.237 -1.352 1.00 62.33 H new ATOM 0 HD12 LEU A 14 -3.583 -2.754 -2.139 1.00 62.33 H new ATOM 0 HD13 LEU A 14 -4.010 -4.477 -2.009 1.00 62.33 H new ATOM 0 HD21 LEU A 14 -5.127 -4.181 0.849 1.00 61.31 H new ATOM 0 HD22 LEU A 14 -4.041 -5.522 0.415 1.00 61.31 H new ATOM 0 HD23 LEU A 14 -3.624 -4.441 1.766 1.00 61.31 H new ATOM 201 N ILE A 15 0.463 -5.598 -2.358 1.00 32.22 N ATOM 202 CA ILE A 15 1.876 -5.687 -2.564 1.00 50.53 C ATOM 203 C ILE A 15 2.352 -4.394 -3.142 1.00 33.33 C ATOM 204 O ILE A 15 1.866 -3.962 -4.191 1.00 75.11 O ATOM 205 CB ILE A 15 2.281 -6.845 -3.504 1.00 64.13 C ATOM 206 CG1 ILE A 15 1.694 -8.177 -3.007 1.00 15.34 C ATOM 207 CG2 ILE A 15 3.807 -6.921 -3.592 1.00 5.01 C ATOM 208 CD1 ILE A 15 2.117 -9.380 -3.825 1.00 41.44 C ATOM 0 H ILE A 15 -0.103 -5.627 -3.206 1.00 32.22 H new ATOM 0 HA ILE A 15 2.338 -5.889 -1.598 1.00 50.53 H new ATOM 0 HB ILE A 15 1.879 -6.656 -4.499 1.00 64.13 H new ATOM 0 HG12 ILE A 15 1.995 -8.331 -1.971 1.00 15.34 H new ATOM 0 HG13 ILE A 15 0.606 -8.109 -3.016 1.00 15.34 H new ATOM 0 HG21 ILE A 15 4.093 -7.738 -4.255 1.00 5.01 H new ATOM 0 HG22 ILE A 15 4.196 -5.982 -3.985 1.00 5.01 H new ATOM 0 HG23 ILE A 15 4.220 -7.098 -2.599 1.00 5.01 H new ATOM 0 HD11 ILE A 15 1.662 -10.280 -3.411 1.00 41.44 H new ATOM 0 HD12 ILE A 15 1.792 -9.251 -4.857 1.00 41.44 H new ATOM 0 HD13 ILE A 15 3.202 -9.476 -3.796 1.00 41.44 H new ATOM 220 N LEU A 16 3.275 -3.775 -2.482 1.00 31.14 N ATOM 221 CA LEU A 16 3.784 -2.505 -2.932 1.00 55.42 C ATOM 222 C LEU A 16 4.935 -2.712 -3.913 1.00 22.43 C ATOM 223 O LEU A 16 5.557 -3.778 -3.925 1.00 44.13 O ATOM 224 CB LEU A 16 4.199 -1.597 -1.750 1.00 44.02 C ATOM 225 CG LEU A 16 3.093 -1.212 -0.723 1.00 54.31 C ATOM 226 CD1 LEU A 16 1.845 -0.678 -1.412 1.00 63.41 C ATOM 227 CD2 LEU A 16 2.758 -2.349 0.235 1.00 1.13 C ATOM 0 H LEU A 16 3.699 -4.124 -1.623 1.00 31.14 H new ATOM 0 HA LEU A 16 2.979 -1.987 -3.454 1.00 55.42 H new ATOM 0 HB2 LEU A 16 5.004 -2.095 -1.209 1.00 44.02 H new ATOM 0 HB3 LEU A 16 4.613 -0.676 -2.161 1.00 44.02 H new ATOM 0 HG LEU A 16 3.506 -0.406 -0.117 1.00 54.31 H new ATOM 0 HD11 LEU A 16 1.097 -0.421 -0.662 1.00 63.41 H new ATOM 0 HD12 LEU A 16 2.100 0.210 -1.990 1.00 63.41 H new ATOM 0 HD13 LEU A 16 1.443 -1.441 -2.079 1.00 63.41 H new ATOM 0 HD21 LEU A 16 1.982 -2.024 0.928 1.00 1.13 H new ATOM 0 HD22 LEU A 16 2.402 -3.209 -0.332 1.00 1.13 H new ATOM 0 HD23 LEU A 16 3.651 -2.628 0.795 1.00 1.13 H new ATOM 239 N VAL A 17 5.231 -1.679 -4.704 1.00 13.22 N ATOM 240 CA VAL A 17 6.256 -1.732 -5.778 1.00 5.21 C ATOM 241 C VAL A 17 7.643 -2.097 -5.219 1.00 74.43 C ATOM 242 O VAL A 17 8.488 -2.673 -5.920 1.00 43.43 O ATOM 243 CB VAL A 17 6.353 -0.360 -6.531 1.00 4.32 C ATOM 244 CG1 VAL A 17 7.325 -0.419 -7.706 1.00 50.55 C ATOM 245 CG2 VAL A 17 4.987 0.102 -6.997 1.00 52.43 C ATOM 0 H VAL A 17 4.771 -0.772 -4.627 1.00 13.22 H new ATOM 0 HA VAL A 17 5.942 -2.508 -6.476 1.00 5.21 H new ATOM 0 HB VAL A 17 6.743 0.367 -5.818 1.00 4.32 H new ATOM 0 HG11 VAL A 17 7.360 0.553 -8.198 1.00 50.55 H new ATOM 0 HG12 VAL A 17 8.320 -0.678 -7.343 1.00 50.55 H new ATOM 0 HG13 VAL A 17 6.990 -1.174 -8.417 1.00 50.55 H new ATOM 0 HG21 VAL A 17 5.083 1.056 -7.516 1.00 52.43 H new ATOM 0 HG22 VAL A 17 4.564 -0.639 -7.675 1.00 52.43 H new ATOM 0 HG23 VAL A 17 4.330 0.222 -6.136 1.00 52.43 H new ATOM 255 N SER A 18 7.851 -1.786 -3.962 1.00 64.33 N ATOM 256 CA SER A 18 9.108 -2.023 -3.289 1.00 20.23 C ATOM 257 C SER A 18 9.275 -3.519 -2.924 1.00 62.34 C ATOM 258 O SER A 18 10.333 -3.942 -2.440 1.00 14.33 O ATOM 259 CB SER A 18 9.160 -1.153 -2.027 1.00 51.32 C ATOM 260 OG SER A 18 10.426 -1.211 -1.396 1.00 63.45 O ATOM 0 H SER A 18 7.142 -1.355 -3.368 1.00 64.33 H new ATOM 0 HA SER A 18 9.928 -1.759 -3.957 1.00 20.23 H new ATOM 0 HB2 SER A 18 8.932 -0.120 -2.289 1.00 51.32 H new ATOM 0 HB3 SER A 18 8.391 -1.481 -1.328 1.00 51.32 H new ATOM 0 HG SER A 18 10.420 -0.643 -0.597 1.00 63.45 H new ATOM 266 N GLY A 19 8.243 -4.308 -3.150 1.00 65.34 N ATOM 267 CA GLY A 19 8.319 -5.717 -2.850 1.00 34.44 C ATOM 268 C GLY A 19 7.851 -6.023 -1.451 1.00 55.10 C ATOM 269 O GLY A 19 7.976 -7.152 -0.973 1.00 40.43 O ATOM 0 H GLY A 19 7.352 -3.998 -3.537 1.00 65.34 H new ATOM 0 HA2 GLY A 19 7.712 -6.273 -3.565 1.00 34.44 H new ATOM 0 HA3 GLY A 19 9.347 -6.058 -2.971 1.00 34.44 H new ATOM 273 N LYS A 20 7.328 -5.022 -0.781 1.00 23.23 N ATOM 274 CA LYS A 20 6.794 -5.202 0.547 1.00 75.44 C ATOM 275 C LYS A 20 5.351 -5.617 0.444 1.00 62.44 C ATOM 276 O LYS A 20 4.581 -5.006 -0.299 1.00 31.41 O ATOM 277 CB LYS A 20 6.932 -3.937 1.428 1.00 52.22 C ATOM 278 CG LYS A 20 8.346 -3.628 1.957 1.00 60.30 C ATOM 279 CD LYS A 20 9.364 -3.404 0.859 1.00 12.40 C ATOM 280 CE LYS A 20 10.726 -3.046 1.425 1.00 31.34 C ATOM 281 NZ LYS A 20 11.719 -2.850 0.355 1.00 44.10 N ATOM 0 H LYS A 20 7.261 -4.069 -1.138 1.00 23.23 H new ATOM 0 HA LYS A 20 7.378 -5.981 1.038 1.00 75.44 H new ATOM 0 HB2 LYS A 20 6.587 -3.079 0.852 1.00 52.22 H new ATOM 0 HB3 LYS A 20 6.261 -4.039 2.281 1.00 52.22 H new ATOM 0 HG2 LYS A 20 8.303 -2.741 2.589 1.00 60.30 H new ATOM 0 HG3 LYS A 20 8.678 -4.453 2.587 1.00 60.30 H new ATOM 0 HD2 LYS A 20 9.447 -4.304 0.250 1.00 12.40 H new ATOM 0 HD3 LYS A 20 9.021 -2.605 0.201 1.00 12.40 H new ATOM 0 HE2 LYS A 20 10.646 -2.136 2.020 1.00 31.34 H new ATOM 0 HE3 LYS A 20 11.062 -3.837 2.095 1.00 31.34 H new ATOM 0 HZ1 LYS A 20 12.518 -2.293 0.720 1.00 44.10 H new ATOM 0 HZ2 LYS A 20 12.063 -3.775 0.027 1.00 44.10 H new ATOM 0 HZ3 LYS A 20 11.278 -2.343 -0.439 1.00 44.10 H new ATOM 295 N THR A 21 4.979 -6.643 1.152 1.00 53.52 N ATOM 296 CA THR A 21 3.639 -7.126 1.073 1.00 71.03 C ATOM 297 C THR A 21 2.906 -6.866 2.383 1.00 51.03 C ATOM 298 O THR A 21 3.413 -7.194 3.462 1.00 20.20 O ATOM 299 CB THR A 21 3.610 -8.643 0.758 1.00 70.13 C ATOM 300 OG1 THR A 21 4.202 -9.398 1.835 1.00 14.02 O ATOM 301 CG2 THR A 21 4.370 -8.956 -0.520 1.00 4.41 C ATOM 0 H THR A 21 5.587 -7.158 1.789 1.00 53.52 H new ATOM 0 HA THR A 21 3.140 -6.592 0.264 1.00 71.03 H new ATOM 0 HB THR A 21 2.564 -8.924 0.635 1.00 70.13 H new ATOM 0 HG1 THR A 21 4.217 -8.851 2.648 1.00 14.02 H new ATOM 0 HG21 THR A 21 4.331 -10.028 -0.713 1.00 4.41 H new ATOM 0 HG22 THR A 21 3.916 -8.420 -1.354 1.00 4.41 H new ATOM 0 HG23 THR A 21 5.409 -8.645 -0.411 1.00 4.41 H new ATOM 309 N LYS A 22 1.748 -6.289 2.301 1.00 62.31 N ATOM 310 CA LYS A 22 0.941 -6.016 3.484 1.00 33.11 C ATOM 311 C LYS A 22 -0.393 -6.699 3.291 1.00 1.21 C ATOM 312 O LYS A 22 -0.917 -6.687 2.197 1.00 72.11 O ATOM 313 CB LYS A 22 0.704 -4.499 3.639 1.00 44.21 C ATOM 314 CG LYS A 22 1.966 -3.633 3.655 1.00 32.14 C ATOM 315 CD LYS A 22 2.899 -3.965 4.810 1.00 44.14 C ATOM 316 CE LYS A 22 4.147 -3.093 4.755 1.00 72.45 C ATOM 317 NZ LYS A 22 5.103 -3.392 5.843 1.00 1.44 N ATOM 0 H LYS A 22 1.323 -5.989 1.424 1.00 62.31 H new ATOM 0 HA LYS A 22 1.453 -6.381 4.374 1.00 33.11 H new ATOM 0 HB2 LYS A 22 0.065 -4.164 2.822 1.00 44.21 H new ATOM 0 HB3 LYS A 22 0.155 -4.327 4.565 1.00 44.21 H new ATOM 0 HG2 LYS A 22 2.501 -3.762 2.714 1.00 32.14 H new ATOM 0 HG3 LYS A 22 1.679 -2.583 3.717 1.00 32.14 H new ATOM 0 HD2 LYS A 22 2.383 -3.812 5.758 1.00 44.14 H new ATOM 0 HD3 LYS A 22 3.181 -5.017 4.767 1.00 44.14 H new ATOM 0 HE2 LYS A 22 4.641 -3.234 3.794 1.00 72.45 H new ATOM 0 HE3 LYS A 22 3.855 -2.044 4.812 1.00 72.45 H new ATOM 0 HZ1 LYS A 22 5.932 -2.770 5.757 1.00 1.44 H new ATOM 0 HZ2 LYS A 22 4.644 -3.232 6.762 1.00 1.44 H new ATOM 0 HZ3 LYS A 22 5.406 -4.385 5.776 1.00 1.44 H new ATOM 331 N GLU A 23 -0.945 -7.296 4.310 1.00 11.52 N ATOM 332 CA GLU A 23 -2.222 -7.946 4.131 1.00 32.23 C ATOM 333 C GLU A 23 -3.142 -7.562 5.269 1.00 25.34 C ATOM 334 O GLU A 23 -2.757 -7.644 6.440 1.00 51.23 O ATOM 335 CB GLU A 23 -2.051 -9.467 4.074 1.00 43.34 C ATOM 336 CG GLU A 23 -3.264 -10.204 3.552 1.00 23.23 C ATOM 337 CD GLU A 23 -3.104 -11.699 3.610 1.00 21.12 C ATOM 338 OE1 GLU A 23 -2.325 -12.268 2.810 1.00 2.34 O ATOM 339 OE2 GLU A 23 -3.730 -12.333 4.471 1.00 71.21 O ATOM 0 H GLU A 23 -0.549 -7.349 5.249 1.00 11.52 H new ATOM 0 HA GLU A 23 -2.659 -7.621 3.187 1.00 32.23 H new ATOM 0 HB2 GLU A 23 -1.195 -9.703 3.441 1.00 43.34 H new ATOM 0 HB3 GLU A 23 -1.818 -9.834 5.074 1.00 43.34 H new ATOM 0 HG2 GLU A 23 -4.139 -9.913 4.134 1.00 23.23 H new ATOM 0 HG3 GLU A 23 -3.452 -9.902 2.522 1.00 23.23 H new ATOM 346 N PHE A 24 -4.336 -7.149 4.925 1.00 61.05 N ATOM 347 CA PHE A 24 -5.347 -6.728 5.882 1.00 13.43 C ATOM 348 C PHE A 24 -6.710 -7.129 5.376 1.00 54.34 C ATOM 349 O PHE A 24 -6.888 -7.408 4.177 1.00 63.23 O ATOM 350 CB PHE A 24 -5.344 -5.205 6.122 1.00 41.00 C ATOM 351 CG PHE A 24 -4.100 -4.622 6.728 1.00 23.12 C ATOM 352 CD1 PHE A 24 -3.944 -4.578 8.102 1.00 14.51 C ATOM 353 CD2 PHE A 24 -3.103 -4.095 5.927 1.00 24.51 C ATOM 354 CE1 PHE A 24 -2.813 -4.026 8.664 1.00 44.22 C ATOM 355 CE2 PHE A 24 -1.972 -3.536 6.483 1.00 23.44 C ATOM 356 CZ PHE A 24 -1.826 -3.501 7.853 1.00 63.54 C ATOM 0 H PHE A 24 -4.646 -7.092 3.955 1.00 61.05 H new ATOM 0 HA PHE A 24 -5.114 -7.216 6.828 1.00 13.43 H new ATOM 0 HB2 PHE A 24 -5.522 -4.709 5.168 1.00 41.00 H new ATOM 0 HB3 PHE A 24 -6.185 -4.961 6.770 1.00 41.00 H new ATOM 0 HD1 PHE A 24 -4.716 -4.980 8.741 1.00 14.51 H new ATOM 0 HD2 PHE A 24 -3.212 -4.122 4.853 1.00 24.51 H new ATOM 0 HE1 PHE A 24 -2.699 -4.004 9.738 1.00 44.22 H new ATOM 0 HE2 PHE A 24 -1.202 -3.126 5.846 1.00 23.44 H new ATOM 0 HZ PHE A 24 -0.941 -3.064 8.292 1.00 63.54 H new ATOM 366 N LEU A 25 -7.658 -7.188 6.256 1.00 14.10 N ATOM 367 CA LEU A 25 -8.999 -7.474 5.862 1.00 13.04 C ATOM 368 C LEU A 25 -9.643 -6.159 5.415 1.00 52.14 C ATOM 369 O LEU A 25 -9.646 -5.188 6.167 1.00 3.21 O ATOM 370 CB LEU A 25 -9.769 -8.051 7.050 1.00 64.12 C ATOM 371 CG LEU A 25 -11.179 -8.535 6.763 1.00 61.22 C ATOM 372 CD1 LEU A 25 -11.157 -9.688 5.786 1.00 44.24 C ATOM 373 CD2 LEU A 25 -11.879 -8.931 8.047 1.00 53.43 C ATOM 0 H LEU A 25 -7.527 -7.041 7.257 1.00 14.10 H new ATOM 0 HA LEU A 25 -9.016 -8.201 5.050 1.00 13.04 H new ATOM 0 HB2 LEU A 25 -9.197 -8.885 7.457 1.00 64.12 H new ATOM 0 HB3 LEU A 25 -9.820 -7.289 7.828 1.00 64.12 H new ATOM 0 HG LEU A 25 -11.738 -7.716 6.310 1.00 61.22 H new ATOM 0 HD11 LEU A 25 -12.177 -10.021 5.593 1.00 44.24 H new ATOM 0 HD12 LEU A 25 -10.698 -9.365 4.852 1.00 44.24 H new ATOM 0 HD13 LEU A 25 -10.580 -10.511 6.208 1.00 44.24 H new ATOM 0 HD21 LEU A 25 -12.888 -9.275 7.820 1.00 53.43 H new ATOM 0 HD22 LEU A 25 -11.323 -9.733 8.532 1.00 53.43 H new ATOM 0 HD23 LEU A 25 -11.930 -8.070 8.714 1.00 53.43 H new ATOM 385 N PHE A 26 -10.181 -6.126 4.224 1.00 32.51 N ATOM 386 CA PHE A 26 -10.807 -4.919 3.714 1.00 31.40 C ATOM 387 C PHE A 26 -12.206 -5.202 3.218 1.00 11.32 C ATOM 388 O PHE A 26 -12.617 -6.359 3.099 1.00 11.22 O ATOM 389 CB PHE A 26 -9.966 -4.237 2.608 1.00 14.31 C ATOM 390 CG PHE A 26 -8.686 -3.572 3.079 1.00 41.42 C ATOM 391 CD1 PHE A 26 -8.720 -2.287 3.606 1.00 20.31 C ATOM 392 CD2 PHE A 26 -7.459 -4.210 2.979 1.00 31.33 C ATOM 393 CE1 PHE A 26 -7.561 -1.659 4.025 1.00 30.21 C ATOM 394 CE2 PHE A 26 -6.304 -3.589 3.396 1.00 13.33 C ATOM 395 CZ PHE A 26 -6.349 -2.315 3.920 1.00 55.43 C ATOM 0 H PHE A 26 -10.202 -6.919 3.583 1.00 32.51 H new ATOM 0 HA PHE A 26 -10.866 -4.221 4.549 1.00 31.40 H new ATOM 0 HB2 PHE A 26 -9.712 -4.984 1.856 1.00 14.31 H new ATOM 0 HB3 PHE A 26 -10.585 -3.487 2.115 1.00 14.31 H new ATOM 0 HD1 PHE A 26 -9.665 -1.771 3.690 1.00 20.31 H new ATOM 0 HD2 PHE A 26 -7.409 -5.208 2.568 1.00 31.33 H new ATOM 0 HE1 PHE A 26 -7.603 -0.660 4.433 1.00 30.21 H new ATOM 0 HE2 PHE A 26 -5.358 -4.102 3.312 1.00 13.33 H new ATOM 0 HZ PHE A 26 -5.441 -1.831 4.247 1.00 55.43 H new ATOM 405 N SER A 27 -12.941 -4.167 2.957 1.00 15.04 N ATOM 406 CA SER A 27 -14.272 -4.300 2.470 1.00 10.12 C ATOM 407 C SER A 27 -14.232 -4.263 0.947 1.00 63.12 C ATOM 408 O SER A 27 -13.457 -3.502 0.367 1.00 40.30 O ATOM 409 CB SER A 27 -15.126 -3.159 3.014 1.00 12.03 C ATOM 410 OG SER A 27 -15.051 -3.103 4.435 1.00 70.51 O ATOM 0 H SER A 27 -12.630 -3.203 3.077 1.00 15.04 H new ATOM 0 HA SER A 27 -14.709 -5.243 2.798 1.00 10.12 H new ATOM 0 HB2 SER A 27 -14.789 -2.213 2.590 1.00 12.03 H new ATOM 0 HB3 SER A 27 -16.162 -3.296 2.705 1.00 12.03 H new ATOM 0 HG SER A 27 -15.214 -3.995 4.807 1.00 70.51 H new ATOM 416 N PRO A 28 -15.041 -5.091 0.271 1.00 53.20 N ATOM 417 CA PRO A 28 -15.060 -5.157 -1.198 1.00 51.11 C ATOM 418 C PRO A 28 -15.431 -3.821 -1.861 1.00 11.03 C ATOM 419 O PRO A 28 -15.135 -3.600 -3.040 1.00 52.20 O ATOM 420 CB PRO A 28 -16.103 -6.247 -1.497 1.00 31.02 C ATOM 421 CG PRO A 28 -16.926 -6.335 -0.259 1.00 61.34 C ATOM 422 CD PRO A 28 -15.984 -6.054 0.870 1.00 22.44 C ATOM 0 HA PRO A 28 -14.073 -5.381 -1.604 1.00 51.11 H new ATOM 0 HB2 PRO A 28 -16.714 -5.984 -2.360 1.00 31.02 H new ATOM 0 HB3 PRO A 28 -15.625 -7.200 -1.723 1.00 31.02 H new ATOM 0 HG2 PRO A 28 -17.742 -5.612 -0.278 1.00 61.34 H new ATOM 0 HG3 PRO A 28 -17.377 -7.322 -0.157 1.00 61.34 H new ATOM 0 HD2 PRO A 28 -16.500 -5.633 1.733 1.00 22.44 H new ATOM 0 HD3 PRO A 28 -15.479 -6.958 1.211 1.00 22.44 H new ATOM 430 N ASN A 29 -16.041 -2.938 -1.092 1.00 4.22 N ATOM 431 CA ASN A 29 -16.456 -1.628 -1.585 1.00 34.20 C ATOM 432 C ASN A 29 -15.276 -0.635 -1.591 1.00 4.32 C ATOM 433 O ASN A 29 -15.363 0.436 -2.172 1.00 31.30 O ATOM 434 CB ASN A 29 -17.629 -1.087 -0.732 1.00 52.44 C ATOM 435 CG ASN A 29 -18.214 0.233 -1.237 1.00 25.04 C ATOM 436 OD1 ASN A 29 -19.120 0.240 -2.072 1.00 60.22 O ATOM 437 ND2 ASN A 29 -17.733 1.343 -0.718 1.00 51.42 N ATOM 0 H ASN A 29 -16.264 -3.103 -0.111 1.00 4.22 H new ATOM 0 HA ASN A 29 -16.795 -1.740 -2.615 1.00 34.20 H new ATOM 0 HB2 ASN A 29 -18.420 -1.836 -0.706 1.00 52.44 H new ATOM 0 HB3 ASN A 29 -17.285 -0.951 0.293 1.00 52.44 H new ATOM 0 HD21 ASN A 29 -18.111 2.246 -1.005 1.00 51.42 H new ATOM 0 HD22 ASN A 29 -16.982 1.300 -0.029 1.00 51.42 H new ATOM 444 N ASP A 30 -14.175 -0.996 -0.956 1.00 44.22 N ATOM 445 CA ASP A 30 -13.000 -0.108 -0.906 1.00 13.21 C ATOM 446 C ASP A 30 -12.198 -0.159 -2.201 1.00 12.25 C ATOM 447 O ASP A 30 -12.254 -1.150 -2.936 1.00 4.21 O ATOM 448 CB ASP A 30 -12.099 -0.390 0.317 1.00 24.33 C ATOM 449 CG ASP A 30 -12.739 0.009 1.626 1.00 40.34 C ATOM 450 OD1 ASP A 30 -12.792 1.219 1.930 1.00 74.23 O ATOM 451 OD2 ASP A 30 -13.192 -0.864 2.378 1.00 24.54 O ATOM 0 H ASP A 30 -14.058 -1.885 -0.469 1.00 44.22 H new ATOM 0 HA ASP A 30 -13.386 0.905 -0.792 1.00 13.21 H new ATOM 0 HB2 ASP A 30 -11.857 -1.452 0.346 1.00 24.33 H new ATOM 0 HB3 ASP A 30 -11.158 0.148 0.200 1.00 24.33 H new ATOM 456 N SER A 31 -11.486 0.918 -2.497 1.00 5.33 N ATOM 457 CA SER A 31 -10.682 0.997 -3.695 1.00 20.14 C ATOM 458 C SER A 31 -9.235 0.616 -3.422 1.00 54.14 C ATOM 459 O SER A 31 -8.608 1.123 -2.490 1.00 74.22 O ATOM 460 CB SER A 31 -10.773 2.387 -4.321 1.00 3.42 C ATOM 461 OG SER A 31 -10.504 3.402 -3.373 1.00 73.44 O ATOM 0 H SER A 31 -11.453 1.754 -1.914 1.00 5.33 H new ATOM 0 HA SER A 31 -11.082 0.276 -4.408 1.00 20.14 H new ATOM 0 HB2 SER A 31 -10.065 2.462 -5.147 1.00 3.42 H new ATOM 0 HB3 SER A 31 -11.768 2.534 -4.740 1.00 3.42 H new ATOM 0 HG SER A 31 -11.001 4.212 -3.612 1.00 73.44 H new ATOM 467 N ALA A 32 -8.717 -0.256 -4.263 1.00 11.43 N ATOM 468 CA ALA A 32 -7.362 -0.804 -4.153 1.00 23.34 C ATOM 469 C ALA A 32 -6.269 0.271 -4.015 1.00 3.40 C ATOM 470 O ALA A 32 -5.358 0.117 -3.222 1.00 33.31 O ATOM 471 CB ALA A 32 -7.088 -1.635 -5.369 1.00 62.20 C ATOM 0 H ALA A 32 -9.232 -0.618 -5.065 1.00 11.43 H new ATOM 0 HA ALA A 32 -7.326 -1.397 -3.239 1.00 23.34 H new ATOM 0 HB1 ALA A 32 -6.083 -2.052 -5.306 1.00 62.20 H new ATOM 0 HB2 ALA A 32 -7.814 -2.446 -5.427 1.00 62.20 H new ATOM 0 HB3 ALA A 32 -7.167 -1.013 -6.260 1.00 62.20 H new ATOM 477 N SER A 33 -6.368 1.351 -4.775 1.00 2.44 N ATOM 478 CA SER A 33 -5.343 2.384 -4.741 1.00 63.45 C ATOM 479 C SER A 33 -5.422 3.250 -3.470 1.00 43.54 C ATOM 480 O SER A 33 -4.400 3.729 -2.972 1.00 44.30 O ATOM 481 CB SER A 33 -5.379 3.210 -6.017 1.00 13.32 C ATOM 482 OG SER A 33 -6.689 3.656 -6.293 1.00 72.13 O ATOM 0 H SER A 33 -7.139 1.535 -5.417 1.00 2.44 H new ATOM 0 HA SER A 33 -4.372 1.891 -4.695 1.00 63.45 H new ATOM 0 HB2 SER A 33 -4.712 4.067 -5.919 1.00 13.32 H new ATOM 0 HB3 SER A 33 -5.011 2.613 -6.851 1.00 13.32 H new ATOM 0 HG SER A 33 -6.751 3.926 -7.233 1.00 72.13 H new ATOM 488 N ASP A 34 -6.629 3.426 -2.940 1.00 4.35 N ATOM 489 CA ASP A 34 -6.806 4.146 -1.672 1.00 74.32 C ATOM 490 C ASP A 34 -6.223 3.281 -0.575 1.00 13.15 C ATOM 491 O ASP A 34 -5.492 3.749 0.312 1.00 23.21 O ATOM 492 CB ASP A 34 -8.295 4.400 -1.402 1.00 41.11 C ATOM 493 CG ASP A 34 -8.575 5.136 -0.096 1.00 24.01 C ATOM 494 OD1 ASP A 34 -8.602 6.390 -0.095 1.00 51.22 O ATOM 495 OD2 ASP A 34 -8.813 4.473 0.942 1.00 30.32 O ATOM 0 H ASP A 34 -7.494 3.086 -3.360 1.00 4.35 H new ATOM 0 HA ASP A 34 -6.304 5.113 -1.712 1.00 74.32 H new ATOM 0 HB2 ASP A 34 -8.709 4.978 -2.228 1.00 41.11 H new ATOM 0 HB3 ASP A 34 -8.819 3.444 -1.387 1.00 41.11 H new ATOM 500 N ILE A 35 -6.519 1.997 -0.683 1.00 52.33 N ATOM 501 CA ILE A 35 -6.005 0.999 0.214 1.00 14.20 C ATOM 502 C ILE A 35 -4.476 0.949 0.151 1.00 12.34 C ATOM 503 O ILE A 35 -3.838 0.867 1.171 1.00 23.43 O ATOM 504 CB ILE A 35 -6.579 -0.391 -0.106 1.00 44.10 C ATOM 505 CG1 ILE A 35 -8.089 -0.419 0.090 1.00 3.11 C ATOM 506 CG2 ILE A 35 -5.925 -1.438 0.741 1.00 34.10 C ATOM 507 CD1 ILE A 35 -8.694 -1.763 -0.221 1.00 53.41 C ATOM 0 H ILE A 35 -7.131 1.623 -1.408 1.00 52.33 H new ATOM 0 HA ILE A 35 -6.314 1.278 1.221 1.00 14.20 H new ATOM 0 HB ILE A 35 -6.369 -0.607 -1.153 1.00 44.10 H new ATOM 0 HG12 ILE A 35 -8.322 -0.151 1.120 1.00 3.11 H new ATOM 0 HG13 ILE A 35 -8.547 0.337 -0.548 1.00 3.11 H new ATOM 0 HG21 ILE A 35 -6.344 -2.415 0.500 1.00 34.10 H new ATOM 0 HG22 ILE A 35 -4.852 -1.446 0.547 1.00 34.10 H new ATOM 0 HG23 ILE A 35 -6.101 -1.217 1.794 1.00 34.10 H new ATOM 0 HD11 ILE A 35 -9.772 -1.722 -0.063 1.00 53.41 H new ATOM 0 HD12 ILE A 35 -8.489 -2.023 -1.259 1.00 53.41 H new ATOM 0 HD13 ILE A 35 -8.260 -2.518 0.434 1.00 53.41 H new ATOM 519 N ALA A 36 -3.915 0.998 -1.055 1.00 4.01 N ATOM 520 CA ALA A 36 -2.466 1.021 -1.262 1.00 74.44 C ATOM 521 C ALA A 36 -1.786 2.098 -0.414 1.00 41.43 C ATOM 522 O ALA A 36 -0.758 1.848 0.200 1.00 3.44 O ATOM 523 CB ALA A 36 -2.146 1.247 -2.731 1.00 12.01 C ATOM 0 H ALA A 36 -4.454 1.023 -1.921 1.00 4.01 H new ATOM 0 HA ALA A 36 -2.078 0.052 -0.949 1.00 74.44 H new ATOM 0 HB1 ALA A 36 -1.065 1.262 -2.870 1.00 12.01 H new ATOM 0 HB2 ALA A 36 -2.577 0.442 -3.325 1.00 12.01 H new ATOM 0 HB3 ALA A 36 -2.566 2.200 -3.052 1.00 12.01 H new ATOM 529 N LYS A 37 -2.382 3.270 -0.351 1.00 21.10 N ATOM 530 CA LYS A 37 -1.813 4.372 0.407 1.00 41.53 C ATOM 531 C LYS A 37 -1.992 4.033 1.905 1.00 44.14 C ATOM 532 O LYS A 37 -1.092 4.225 2.717 1.00 20.13 O ATOM 533 CB LYS A 37 -2.569 5.654 0.004 1.00 12.22 C ATOM 534 CG LYS A 37 -1.892 7.047 0.207 1.00 71.02 C ATOM 535 CD LYS A 37 -1.614 7.476 1.655 1.00 45.24 C ATOM 536 CE LYS A 37 -0.285 6.992 2.188 1.00 22.22 C ATOM 537 NZ LYS A 37 -0.080 7.450 3.570 1.00 5.30 N ATOM 0 H LYS A 37 -3.263 3.488 -0.816 1.00 21.10 H new ATOM 0 HA LYS A 37 -0.752 4.527 0.209 1.00 41.53 H new ATOM 0 HB2 LYS A 37 -2.821 5.565 -1.053 1.00 12.22 H new ATOM 0 HB3 LYS A 37 -3.509 5.665 0.556 1.00 12.22 H new ATOM 0 HG2 LYS A 37 -0.946 7.048 -0.335 1.00 71.02 H new ATOM 0 HG3 LYS A 37 -2.525 7.804 -0.256 1.00 71.02 H new ATOM 0 HD2 LYS A 37 -1.645 8.564 1.714 1.00 45.24 H new ATOM 0 HD3 LYS A 37 -2.411 7.099 2.296 1.00 45.24 H new ATOM 0 HE2 LYS A 37 -0.248 5.903 2.151 1.00 22.22 H new ATOM 0 HE3 LYS A 37 0.522 7.360 1.554 1.00 22.22 H new ATOM 0 HZ1 LYS A 37 0.838 7.107 3.917 1.00 5.30 H new ATOM 0 HZ2 LYS A 37 -0.094 8.490 3.597 1.00 5.30 H new ATOM 0 HZ3 LYS A 37 -0.840 7.078 4.175 1.00 5.30 H new ATOM 551 N HIS A 38 -3.147 3.468 2.231 1.00 23.25 N ATOM 552 CA HIS A 38 -3.482 3.058 3.599 1.00 3.02 C ATOM 553 C HIS A 38 -2.500 1.973 4.109 1.00 74.12 C ATOM 554 O HIS A 38 -2.019 2.056 5.225 1.00 25.54 O ATOM 555 CB HIS A 38 -4.950 2.544 3.646 1.00 22.33 C ATOM 556 CG HIS A 38 -5.465 2.131 5.008 1.00 5.02 C ATOM 557 ND1 HIS A 38 -6.438 2.831 5.695 1.00 51.34 N ATOM 558 CD2 HIS A 38 -5.167 1.060 5.785 1.00 43.42 C ATOM 559 CE1 HIS A 38 -6.702 2.208 6.829 1.00 14.03 C ATOM 560 NE2 HIS A 38 -5.945 1.134 6.903 1.00 71.13 N ATOM 0 H HIS A 38 -3.886 3.278 1.554 1.00 23.25 H new ATOM 0 HA HIS A 38 -3.388 3.921 4.258 1.00 3.02 H new ATOM 0 HB2 HIS A 38 -5.601 3.326 3.255 1.00 22.33 H new ATOM 0 HB3 HIS A 38 -5.037 1.691 2.973 1.00 22.33 H new ATOM 0 HD2 HIS A 38 -4.445 0.289 5.560 1.00 43.42 H new ATOM 0 HE1 HIS A 38 -7.419 2.526 7.571 1.00 14.03 H new ATOM 0 HE2 HIS A 38 -5.941 0.465 7.673 1.00 71.13 H new ATOM 569 N VAL A 39 -2.225 0.970 3.277 1.00 11.05 N ATOM 570 CA VAL A 39 -1.330 -0.124 3.640 1.00 20.11 C ATOM 571 C VAL A 39 0.126 0.305 3.699 1.00 33.52 C ATOM 572 O VAL A 39 0.901 -0.255 4.482 1.00 21.53 O ATOM 573 CB VAL A 39 -1.514 -1.364 2.762 1.00 54.10 C ATOM 574 CG1 VAL A 39 -2.913 -1.915 2.969 1.00 73.15 C ATOM 575 CG2 VAL A 39 -1.304 -1.027 1.323 1.00 51.12 C ATOM 0 H VAL A 39 -2.615 0.894 2.337 1.00 11.05 H new ATOM 0 HA VAL A 39 -1.620 -0.410 4.651 1.00 20.11 H new ATOM 0 HB VAL A 39 -0.777 -2.115 3.045 1.00 54.10 H new ATOM 0 HG11 VAL A 39 -3.052 -2.799 2.346 1.00 73.15 H new ATOM 0 HG12 VAL A 39 -3.047 -2.184 4.017 1.00 73.15 H new ATOM 0 HG13 VAL A 39 -3.647 -1.158 2.693 1.00 73.15 H new ATOM 0 HG21 VAL A 39 -1.439 -1.922 0.716 1.00 51.12 H new ATOM 0 HG22 VAL A 39 -2.026 -0.269 1.018 1.00 51.12 H new ATOM 0 HG23 VAL A 39 -0.293 -0.643 1.183 1.00 51.12 H new ATOM 585 N TYR A 40 0.514 1.282 2.846 1.00 11.52 N ATOM 586 CA TYR A 40 1.869 1.876 2.926 1.00 5.43 C ATOM 587 C TYR A 40 2.194 2.333 4.340 1.00 1.10 C ATOM 588 O TYR A 40 3.258 2.001 4.876 1.00 52.20 O ATOM 589 CB TYR A 40 2.054 3.093 1.987 1.00 45.05 C ATOM 590 CG TYR A 40 2.621 2.815 0.604 1.00 14.04 C ATOM 591 CD1 TYR A 40 3.932 2.385 0.460 1.00 21.11 C ATOM 592 CD2 TYR A 40 1.878 3.039 -0.546 1.00 60.02 C ATOM 593 CE1 TYR A 40 4.486 2.177 -0.784 1.00 3.32 C ATOM 594 CE2 TYR A 40 2.421 2.826 -1.799 1.00 54.12 C ATOM 595 CZ TYR A 40 3.728 2.397 -1.911 1.00 2.30 C ATOM 596 OH TYR A 40 4.283 2.195 -3.158 1.00 71.14 O ATOM 0 H TYR A 40 -0.077 1.669 2.110 1.00 11.52 H new ATOM 0 HA TYR A 40 2.544 1.080 2.613 1.00 5.43 H new ATOM 0 HB2 TYR A 40 1.085 3.578 1.865 1.00 45.05 H new ATOM 0 HB3 TYR A 40 2.709 3.809 2.484 1.00 45.05 H new ATOM 0 HD1 TYR A 40 4.531 2.210 1.342 1.00 21.11 H new ATOM 0 HD2 TYR A 40 0.859 3.385 -0.461 1.00 60.02 H new ATOM 0 HE1 TYR A 40 5.509 1.843 -0.874 1.00 3.32 H new ATOM 0 HE2 TYR A 40 1.826 2.994 -2.685 1.00 54.12 H new ATOM 0 HH TYR A 40 3.572 2.164 -3.831 1.00 71.14 H new ATOM 870 N LEU A 58 -1.414 6.149 -9.714 1.00 15.12 N ATOM 871 CA LEU A 58 -2.054 5.231 -8.786 1.00 3.10 C ATOM 872 C LEU A 58 -2.858 4.235 -9.571 1.00 61.12 C ATOM 873 O LEU A 58 -3.916 4.572 -10.114 1.00 22.04 O ATOM 874 CB LEU A 58 -2.979 5.960 -7.782 1.00 20.10 C ATOM 875 CG LEU A 58 -2.319 6.904 -6.767 1.00 44.22 C ATOM 876 CD1 LEU A 58 -3.374 7.545 -5.877 1.00 72.00 C ATOM 877 CD2 LEU A 58 -1.296 6.156 -5.919 1.00 33.21 C ATOM 0 HA LEU A 58 -1.273 4.736 -8.209 1.00 3.10 H new ATOM 0 HB2 LEU A 58 -3.707 6.536 -8.353 1.00 20.10 H new ATOM 0 HB3 LEU A 58 -3.535 5.204 -7.227 1.00 20.10 H new ATOM 0 HG LEU A 58 -1.800 7.689 -7.317 1.00 44.22 H new ATOM 0 HD11 LEU A 58 -2.891 8.212 -5.162 1.00 72.00 H new ATOM 0 HD12 LEU A 58 -4.071 8.115 -6.491 1.00 72.00 H new ATOM 0 HD13 LEU A 58 -3.917 6.768 -5.339 1.00 72.00 H new ATOM 0 HD21 LEU A 58 -0.841 6.844 -5.207 1.00 33.21 H new ATOM 0 HD22 LEU A 58 -1.791 5.350 -5.378 1.00 33.21 H new ATOM 0 HD23 LEU A 58 -0.523 5.739 -6.565 1.00 33.21 H new ATOM 889 N ARG A 59 -2.360 3.030 -9.674 1.00 34.33 N ATOM 890 CA ARG A 59 -3.042 1.994 -10.406 1.00 14.03 C ATOM 891 C ARG A 59 -2.962 0.705 -9.656 1.00 11.24 C ATOM 892 O ARG A 59 -2.114 0.531 -8.765 1.00 44.51 O ATOM 893 CB ARG A 59 -2.483 1.807 -11.819 1.00 33.02 C ATOM 894 CG ARG A 59 -2.606 3.028 -12.715 1.00 74.21 C ATOM 895 CD ARG A 59 -1.985 2.809 -14.087 1.00 25.44 C ATOM 896 NE ARG A 59 -2.727 1.839 -14.916 1.00 3.15 N ATOM 897 CZ ARG A 59 -2.315 1.401 -16.122 1.00 72.41 C ATOM 898 NH1 ARG A 59 -1.116 1.732 -16.575 1.00 32.40 N ATOM 899 NH2 ARG A 59 -3.099 0.619 -16.851 1.00 21.10 N ATOM 0 H ARG A 59 -1.476 2.740 -9.256 1.00 34.33 H new ATOM 0 HA ARG A 59 -4.082 2.304 -10.508 1.00 14.03 H new ATOM 0 HB2 ARG A 59 -1.431 1.531 -11.746 1.00 33.02 H new ATOM 0 HB3 ARG A 59 -2.999 0.972 -12.292 1.00 33.02 H new ATOM 0 HG2 ARG A 59 -3.659 3.283 -12.833 1.00 74.21 H new ATOM 0 HG3 ARG A 59 -2.124 3.878 -12.233 1.00 74.21 H new ATOM 0 HD2 ARG A 59 -1.936 3.763 -14.612 1.00 25.44 H new ATOM 0 HD3 ARG A 59 -0.960 2.461 -13.963 1.00 25.44 H new ATOM 0 HE ARG A 59 -3.609 1.477 -14.553 1.00 3.15 H new ATOM 0 HH11 ARG A 59 -0.502 2.320 -16.011 1.00 32.40 H new ATOM 0 HH12 ARG A 59 -0.806 1.399 -17.488 1.00 32.40 H new ATOM 0 HH21 ARG A 59 -4.017 0.347 -16.499 1.00 21.10 H new ATOM 0 HH22 ARG A 59 -2.784 0.289 -17.763 1.00 21.10 H new ATOM 913 N LEU A 60 -3.812 -0.198 -10.008 1.00 34.10 N ATOM 914 CA LEU A 60 -3.883 -1.448 -9.346 1.00 70.44 C ATOM 915 C LEU A 60 -3.694 -2.583 -10.325 1.00 3.35 C ATOM 916 O LEU A 60 -4.236 -2.568 -11.440 1.00 55.31 O ATOM 917 CB LEU A 60 -5.211 -1.530 -8.571 1.00 54.21 C ATOM 918 CG LEU A 60 -6.499 -1.344 -9.387 1.00 42.41 C ATOM 919 CD1 LEU A 60 -6.958 -2.622 -10.068 1.00 71.10 C ATOM 920 CD2 LEU A 60 -7.585 -0.724 -8.562 1.00 3.43 C ATOM 0 H LEU A 60 -4.481 -0.085 -10.770 1.00 34.10 H new ATOM 0 HA LEU A 60 -3.072 -1.540 -8.624 1.00 70.44 H new ATOM 0 HB2 LEU A 60 -5.258 -2.501 -8.078 1.00 54.21 H new ATOM 0 HB3 LEU A 60 -5.194 -0.774 -7.786 1.00 54.21 H new ATOM 0 HG LEU A 60 -6.260 -0.648 -10.191 1.00 42.41 H new ATOM 0 HD11 LEU A 60 -7.872 -2.427 -10.629 1.00 71.10 H new ATOM 0 HD12 LEU A 60 -6.182 -2.970 -10.749 1.00 71.10 H new ATOM 0 HD13 LEU A 60 -7.150 -3.387 -9.315 1.00 71.10 H new ATOM 0 HD21 LEU A 60 -8.482 -0.607 -9.170 1.00 3.43 H new ATOM 0 HD22 LEU A 60 -7.806 -1.366 -7.710 1.00 3.43 H new ATOM 0 HD23 LEU A 60 -7.258 0.253 -8.205 1.00 3.43 H new ATOM 932 N ILE A 61 -2.902 -3.525 -9.933 1.00 42.42 N ATOM 933 CA ILE A 61 -2.658 -4.689 -10.709 1.00 70.51 C ATOM 934 C ILE A 61 -3.293 -5.862 -10.020 1.00 70.25 C ATOM 935 O ILE A 61 -2.978 -6.185 -8.866 1.00 54.14 O ATOM 936 CB ILE A 61 -1.148 -4.942 -10.893 1.00 55.31 C ATOM 937 CG1 ILE A 61 -0.514 -3.766 -11.607 1.00 53.23 C ATOM 938 CG2 ILE A 61 -0.904 -6.226 -11.680 1.00 3.43 C ATOM 939 CD1 ILE A 61 0.995 -3.850 -11.709 1.00 41.32 C ATOM 0 H ILE A 61 -2.398 -3.504 -9.047 1.00 42.42 H new ATOM 0 HA ILE A 61 -3.088 -4.548 -11.701 1.00 70.51 H new ATOM 0 HB ILE A 61 -0.693 -5.054 -9.909 1.00 55.31 H new ATOM 0 HG12 ILE A 61 -0.933 -3.695 -12.611 1.00 53.23 H new ATOM 0 HG13 ILE A 61 -0.782 -2.848 -11.084 1.00 53.23 H new ATOM 0 HG21 ILE A 61 0.168 -6.383 -11.797 1.00 3.43 H new ATOM 0 HG22 ILE A 61 -1.338 -7.070 -11.143 1.00 3.43 H new ATOM 0 HG23 ILE A 61 -1.368 -6.144 -12.663 1.00 3.43 H new ATOM 0 HD11 ILE A 61 1.374 -2.972 -12.233 1.00 41.32 H new ATOM 0 HD12 ILE A 61 1.426 -3.890 -10.708 1.00 41.32 H new ATOM 0 HD13 ILE A 61 1.273 -4.749 -12.259 1.00 41.32 H new ATOM 951 N TYR A 62 -4.135 -6.517 -10.717 1.00 55.35 N ATOM 952 CA TYR A 62 -4.871 -7.626 -10.205 1.00 31.00 C ATOM 953 C TYR A 62 -4.176 -8.889 -10.720 1.00 43.01 C ATOM 954 O TYR A 62 -4.783 -9.810 -11.277 1.00 53.30 O ATOM 955 CB TYR A 62 -6.322 -7.482 -10.691 1.00 45.31 C ATOM 956 CG TYR A 62 -7.300 -8.499 -10.172 1.00 74.34 C ATOM 957 CD1 TYR A 62 -7.287 -8.902 -8.847 1.00 41.34 C ATOM 958 CD2 TYR A 62 -8.254 -9.037 -11.009 1.00 52.22 C ATOM 959 CE1 TYR A 62 -8.197 -9.819 -8.378 1.00 63.12 C ATOM 960 CE2 TYR A 62 -9.170 -9.949 -10.552 1.00 2.22 C ATOM 961 CZ TYR A 62 -9.141 -10.341 -9.240 1.00 33.34 C ATOM 962 OH TYR A 62 -10.052 -11.272 -8.791 1.00 22.24 O ATOM 0 H TYR A 62 -4.346 -6.298 -11.691 1.00 55.35 H new ATOM 0 HA TYR A 62 -4.899 -7.676 -9.116 1.00 31.00 H new ATOM 0 HB2 TYR A 62 -6.679 -6.490 -10.414 1.00 45.31 H new ATOM 0 HB3 TYR A 62 -6.325 -7.529 -11.780 1.00 45.31 H new ATOM 0 HD1 TYR A 62 -6.551 -8.490 -8.173 1.00 41.34 H new ATOM 0 HD2 TYR A 62 -8.280 -8.734 -12.045 1.00 52.22 H new ATOM 0 HE1 TYR A 62 -8.174 -10.129 -7.344 1.00 63.12 H new ATOM 0 HE2 TYR A 62 -9.911 -10.357 -11.224 1.00 2.22 H new ATOM 0 HH TYR A 62 -10.959 -10.910 -8.876 1.00 22.24 H new ATOM 972 N GLN A 63 -2.862 -8.870 -10.493 1.00 52.20 N ATOM 973 CA GLN A 63 -1.928 -9.852 -10.820 1.00 14.13 C ATOM 974 C GLN A 63 -1.864 -10.110 -12.332 1.00 52.34 C ATOM 975 O GLN A 63 -2.654 -10.872 -12.892 1.00 25.41 O ATOM 976 CB GLN A 63 -2.129 -11.102 -10.007 1.00 20.22 C ATOM 977 CG GLN A 63 -0.976 -11.987 -10.134 1.00 40.41 C ATOM 978 CD GLN A 63 -1.188 -13.338 -9.493 1.00 72.21 C ATOM 979 OE1 GLN A 63 -0.880 -13.534 -8.314 1.00 44.30 O ATOM 980 NE2 GLN A 63 -1.720 -14.267 -10.241 1.00 33.43 N ATOM 0 H GLN A 63 -2.423 -8.074 -10.030 1.00 52.20 H new ATOM 0 HA GLN A 63 -0.943 -9.471 -10.549 1.00 14.13 H new ATOM 0 HB2 GLN A 63 -2.280 -10.841 -8.960 1.00 20.22 H new ATOM 0 HB3 GLN A 63 -3.029 -11.618 -10.340 1.00 20.22 H new ATOM 0 HG2 GLN A 63 -0.747 -12.126 -11.191 1.00 40.41 H new ATOM 0 HG3 GLN A 63 -0.108 -11.509 -9.680 1.00 40.41 H new ATOM 0 HE21 GLN A 63 -1.960 -14.065 -11.211 1.00 33.43 H new ATOM 0 HE22 GLN A 63 -1.895 -15.195 -9.855 1.00 33.43 H new ATOM 989 N GLY A 64 -0.945 -9.417 -12.984 1.00 41.52 N ATOM 990 CA GLY A 64 -0.760 -9.560 -14.415 1.00 5.12 C ATOM 991 C GLY A 64 -1.502 -8.501 -15.215 1.00 72.23 C ATOM 992 O GLY A 64 -1.074 -8.120 -16.306 1.00 10.30 O ATOM 0 H GLY A 64 -0.315 -8.748 -12.542 1.00 41.52 H new ATOM 0 HA2 GLY A 64 0.304 -9.504 -14.646 1.00 5.12 H new ATOM 0 HA3 GLY A 64 -1.102 -10.548 -14.724 1.00 5.12 H new ATOM 996 N ARG A 65 -2.609 -8.024 -14.677 1.00 62.40 N ATOM 997 CA ARG A 65 -3.441 -7.048 -15.369 1.00 4.51 C ATOM 998 C ARG A 65 -3.798 -5.852 -14.502 1.00 34.14 C ATOM 999 O ARG A 65 -4.122 -6.002 -13.326 1.00 64.44 O ATOM 1000 CB ARG A 65 -4.715 -7.716 -15.911 1.00 34.11 C ATOM 1001 CG ARG A 65 -5.500 -8.518 -14.879 1.00 61.02 C ATOM 1002 CD ARG A 65 -6.749 -9.135 -15.487 1.00 3.30 C ATOM 1003 NE ARG A 65 -7.423 -10.048 -14.556 1.00 14.41 N ATOM 1004 CZ ARG A 65 -8.751 -10.225 -14.458 1.00 20.11 C ATOM 1005 NH1 ARG A 65 -9.593 -9.466 -15.166 1.00 12.33 N ATOM 1006 NH2 ARG A 65 -9.235 -11.168 -13.650 1.00 72.40 N ATOM 0 H ARG A 65 -2.957 -8.296 -13.758 1.00 62.40 H new ATOM 0 HA ARG A 65 -2.849 -6.667 -16.201 1.00 4.51 H new ATOM 0 HB2 ARG A 65 -5.366 -6.945 -16.324 1.00 34.11 H new ATOM 0 HB3 ARG A 65 -4.441 -8.377 -16.733 1.00 34.11 H new ATOM 0 HG2 ARG A 65 -4.867 -9.305 -14.469 1.00 61.02 H new ATOM 0 HG3 ARG A 65 -5.780 -7.870 -14.049 1.00 61.02 H new ATOM 0 HD2 ARG A 65 -7.438 -8.343 -15.780 1.00 3.30 H new ATOM 0 HD3 ARG A 65 -6.481 -9.676 -16.394 1.00 3.30 H new ATOM 0 HE ARG A 65 -6.832 -10.595 -13.930 1.00 14.41 H new ATOM 0 HH11 ARG A 65 -9.229 -8.744 -15.788 1.00 12.33 H new ATOM 0 HH12 ARG A 65 -10.600 -9.609 -15.084 1.00 12.33 H new ATOM 0 HH21 ARG A 65 -8.598 -11.752 -13.109 1.00 72.40 H new ATOM 0 HH22 ARG A 65 -10.243 -11.305 -13.573 1.00 72.40 H new ATOM 1020 N PHE A 66 -3.737 -4.675 -15.087 1.00 44.20 N ATOM 1021 CA PHE A 66 -4.149 -3.456 -14.422 1.00 4.51 C ATOM 1022 C PHE A 66 -5.629 -3.298 -14.703 1.00 1.24 C ATOM 1023 O PHE A 66 -6.018 -3.103 -15.864 1.00 12.11 O ATOM 1024 CB PHE A 66 -3.436 -2.219 -15.020 1.00 43.44 C ATOM 1025 CG PHE A 66 -1.924 -2.207 -15.000 1.00 74.23 C ATOM 1026 CD1 PHE A 66 -1.193 -2.944 -15.924 1.00 1.13 C ATOM 1027 CD2 PHE A 66 -1.235 -1.419 -14.090 1.00 3.24 C ATOM 1028 CE1 PHE A 66 0.185 -2.899 -15.935 1.00 24.41 C ATOM 1029 CE2 PHE A 66 0.145 -1.375 -14.096 1.00 20.30 C ATOM 1030 CZ PHE A 66 0.855 -2.115 -15.019 1.00 42.21 C ATOM 0 H PHE A 66 -3.400 -4.535 -16.039 1.00 44.20 H new ATOM 0 HA PHE A 66 -3.910 -3.520 -13.360 1.00 4.51 H new ATOM 0 HB2 PHE A 66 -3.760 -2.112 -16.055 1.00 43.44 H new ATOM 0 HB3 PHE A 66 -3.786 -1.337 -14.484 1.00 43.44 H new ATOM 0 HD1 PHE A 66 -1.711 -3.561 -16.643 1.00 1.13 H new ATOM 0 HD2 PHE A 66 -1.784 -0.833 -13.368 1.00 3.24 H new ATOM 0 HE1 PHE A 66 0.739 -3.477 -16.660 1.00 24.41 H new ATOM 0 HE2 PHE A 66 0.669 -0.761 -13.378 1.00 20.30 H new ATOM 0 HZ PHE A 66 1.934 -2.080 -15.024 1.00 42.21 H new ATOM 1040 N LEU A 67 -6.467 -3.393 -13.699 1.00 72.42 N ATOM 1041 CA LEU A 67 -7.897 -3.259 -13.984 1.00 72.14 C ATOM 1042 C LEU A 67 -8.319 -1.822 -14.150 1.00 1.33 C ATOM 1043 O LEU A 67 -9.059 -1.500 -15.078 1.00 35.53 O ATOM 1044 CB LEU A 67 -8.838 -4.053 -13.055 1.00 42.34 C ATOM 1045 CG LEU A 67 -8.753 -5.589 -13.153 1.00 73.12 C ATOM 1046 CD1 LEU A 67 -9.889 -6.252 -12.381 1.00 62.42 C ATOM 1047 CD2 LEU A 67 -8.767 -6.042 -14.596 1.00 31.41 C ATOM 0 H LEU A 67 -6.216 -3.554 -12.724 1.00 72.42 H new ATOM 0 HA LEU A 67 -8.019 -3.748 -14.951 1.00 72.14 H new ATOM 0 HB2 LEU A 67 -8.628 -3.763 -12.025 1.00 42.34 H new ATOM 0 HB3 LEU A 67 -9.864 -3.752 -13.268 1.00 42.34 H new ATOM 0 HG LEU A 67 -7.808 -5.895 -12.704 1.00 73.12 H new ATOM 0 HD11 LEU A 67 -9.804 -7.335 -12.468 1.00 62.42 H new ATOM 0 HD12 LEU A 67 -9.831 -5.966 -11.331 1.00 62.42 H new ATOM 0 HD13 LEU A 67 -10.845 -5.929 -12.792 1.00 62.42 H new ATOM 0 HD21 LEU A 67 -8.706 -7.130 -14.637 1.00 31.41 H new ATOM 0 HD22 LEU A 67 -9.691 -5.712 -15.072 1.00 31.41 H new ATOM 0 HD23 LEU A 67 -7.914 -5.611 -15.121 1.00 31.41 H new ATOM 1059 N HIS A 68 -7.838 -0.954 -13.281 1.00 24.40 N ATOM 1060 CA HIS A 68 -8.123 0.461 -13.388 1.00 10.51 C ATOM 1061 C HIS A 68 -7.293 1.179 -12.328 1.00 22.52 C ATOM 1062 O HIS A 68 -6.486 0.546 -11.651 1.00 32.14 O ATOM 1063 CB HIS A 68 -9.632 0.747 -13.208 1.00 71.33 C ATOM 1064 CG HIS A 68 -10.102 1.966 -13.952 1.00 21.33 C ATOM 1065 ND1 HIS A 68 -10.545 3.115 -13.350 1.00 12.52 N ATOM 1066 CD2 HIS A 68 -10.215 2.181 -15.275 1.00 33.20 C ATOM 1067 CE1 HIS A 68 -10.910 3.984 -14.270 1.00 21.23 C ATOM 1068 NE2 HIS A 68 -10.718 3.441 -15.445 1.00 43.03 N ATOM 0 H HIS A 68 -7.246 -1.207 -12.490 1.00 24.40 H new ATOM 0 HA HIS A 68 -7.859 0.823 -14.382 1.00 10.51 H new ATOM 0 HB2 HIS A 68 -10.201 -0.118 -13.547 1.00 71.33 H new ATOM 0 HB3 HIS A 68 -9.846 0.873 -12.147 1.00 71.33 H new ATOM 0 HD2 HIS A 68 -9.956 1.486 -16.060 1.00 33.20 H new ATOM 0 HE1 HIS A 68 -11.300 4.974 -14.086 1.00 21.23 H new ATOM 0 HE2 HIS A 68 -10.912 3.886 -16.342 1.00 43.03 H new ATOM 1077 N GLY A 69 -7.470 2.462 -12.197 1.00 13.25 N ATOM 1078 CA GLY A 69 -6.693 3.224 -11.260 1.00 3.31 C ATOM 1079 C GLY A 69 -7.218 3.248 -9.830 1.00 43.02 C ATOM 1080 O GLY A 69 -6.495 3.623 -8.925 1.00 42.20 O ATOM 0 H GLY A 69 -8.149 3.006 -12.730 1.00 13.25 H new ATOM 0 HA2 GLY A 69 -5.679 2.825 -11.248 1.00 3.31 H new ATOM 0 HA3 GLY A 69 -6.628 4.251 -11.621 1.00 3.31 H new ATOM 1084 N ASN A 70 -8.456 2.832 -9.611 1.00 32.23 N ATOM 1085 CA ASN A 70 -9.084 2.973 -8.287 1.00 1.21 C ATOM 1086 C ASN A 70 -10.376 2.145 -8.232 1.00 64.50 C ATOM 1087 O ASN A 70 -11.280 2.414 -7.472 1.00 34.32 O ATOM 1088 CB ASN A 70 -9.337 4.504 -8.009 1.00 31.50 C ATOM 1089 CG ASN A 70 -9.938 4.838 -6.638 1.00 33.12 C ATOM 1090 OD1 ASN A 70 -11.150 4.955 -6.488 1.00 14.12 O ATOM 1091 ND2 ASN A 70 -9.100 4.969 -5.637 1.00 44.00 N ATOM 0 H ASN A 70 -9.048 2.397 -10.318 1.00 32.23 H new ATOM 0 HA ASN A 70 -8.429 2.590 -7.504 1.00 1.21 H new ATOM 0 HB2 ASN A 70 -8.390 5.034 -8.110 1.00 31.50 H new ATOM 0 HB3 ASN A 70 -10.002 4.890 -8.781 1.00 31.50 H new ATOM 0 HD21 ASN A 70 -9.451 5.174 -4.701 1.00 44.00 H new ATOM 0 HD22 ASN A 70 -8.097 4.866 -5.794 1.00 44.00 H new ATOM 1098 N VAL A 71 -10.418 1.088 -9.009 1.00 42.00 N ATOM 1099 CA VAL A 71 -11.593 0.240 -9.040 1.00 11.01 C ATOM 1100 C VAL A 71 -11.639 -0.615 -7.753 1.00 34.02 C ATOM 1101 O VAL A 71 -10.585 -0.952 -7.178 1.00 71.32 O ATOM 1102 CB VAL A 71 -11.662 -0.615 -10.356 1.00 73.55 C ATOM 1103 CG1 VAL A 71 -10.499 -1.556 -10.498 1.00 54.03 C ATOM 1104 CG2 VAL A 71 -12.969 -1.348 -10.488 1.00 71.21 C ATOM 0 H VAL A 71 -9.660 0.794 -9.625 1.00 42.00 H new ATOM 0 HA VAL A 71 -12.488 0.862 -9.060 1.00 11.01 H new ATOM 0 HB VAL A 71 -11.598 0.098 -11.178 1.00 73.55 H new ATOM 0 HG11 VAL A 71 -10.599 -2.121 -11.425 1.00 54.03 H new ATOM 0 HG12 VAL A 71 -9.570 -0.986 -10.519 1.00 54.03 H new ATOM 0 HG13 VAL A 71 -10.483 -2.245 -9.653 1.00 54.03 H new ATOM 0 HG21 VAL A 71 -12.971 -1.925 -11.413 1.00 71.21 H new ATOM 0 HG22 VAL A 71 -13.096 -2.021 -9.640 1.00 71.21 H new ATOM 0 HG23 VAL A 71 -13.789 -0.630 -10.507 1.00 71.21 H new ATOM 1114 N THR A 72 -12.826 -0.909 -7.294 1.00 62.14 N ATOM 1115 CA THR A 72 -13.033 -1.577 -6.037 1.00 21.14 C ATOM 1116 C THR A 72 -12.790 -3.080 -6.130 1.00 72.24 C ATOM 1117 O THR A 72 -12.850 -3.665 -7.217 1.00 15.34 O ATOM 1118 CB THR A 72 -14.459 -1.301 -5.539 1.00 51.43 C ATOM 1119 OG1 THR A 72 -15.388 -1.690 -6.557 1.00 14.35 O ATOM 1120 CG2 THR A 72 -14.641 0.179 -5.253 1.00 41.01 C ATOM 0 H THR A 72 -13.689 -0.688 -7.790 1.00 62.14 H new ATOM 0 HA THR A 72 -12.306 -1.181 -5.328 1.00 21.14 H new ATOM 0 HB THR A 72 -14.632 -1.867 -4.624 1.00 51.43 H new ATOM 0 HG1 THR A 72 -16.302 -1.519 -6.248 1.00 14.35 H new ATOM 0 HG21 THR A 72 -15.657 0.359 -4.901 1.00 41.01 H new ATOM 0 HG22 THR A 72 -13.931 0.492 -4.488 1.00 41.01 H new ATOM 0 HG23 THR A 72 -14.466 0.750 -6.165 1.00 41.01 H new ATOM 1128 N LEU A 73 -12.521 -3.692 -4.984 1.00 14.52 N ATOM 1129 CA LEU A 73 -12.275 -5.121 -4.878 1.00 43.24 C ATOM 1130 C LEU A 73 -13.468 -5.939 -5.356 1.00 55.01 C ATOM 1131 O LEU A 73 -13.304 -6.941 -6.038 1.00 63.40 O ATOM 1132 CB LEU A 73 -11.914 -5.484 -3.439 1.00 73.14 C ATOM 1133 CG LEU A 73 -10.524 -5.059 -2.918 1.00 51.52 C ATOM 1134 CD1 LEU A 73 -9.431 -5.678 -3.734 1.00 1.41 C ATOM 1135 CD2 LEU A 73 -10.353 -3.556 -2.854 1.00 43.53 C ATOM 0 H LEU A 73 -12.467 -3.202 -4.091 1.00 14.52 H new ATOM 0 HA LEU A 73 -11.436 -5.365 -5.529 1.00 43.24 H new ATOM 0 HB2 LEU A 73 -12.666 -5.045 -2.784 1.00 73.14 H new ATOM 0 HB3 LEU A 73 -11.994 -6.566 -3.336 1.00 73.14 H new ATOM 0 HG LEU A 73 -10.454 -5.429 -1.895 1.00 51.52 H new ATOM 0 HD11 LEU A 73 -8.463 -5.362 -3.345 1.00 1.41 H new ATOM 0 HD12 LEU A 73 -9.507 -6.764 -3.680 1.00 1.41 H new ATOM 0 HD13 LEU A 73 -9.527 -5.359 -4.772 1.00 1.41 H new ATOM 0 HD21 LEU A 73 -9.357 -3.319 -2.481 1.00 43.53 H new ATOM 0 HD22 LEU A 73 -10.477 -3.133 -3.851 1.00 43.53 H new ATOM 0 HD23 LEU A 73 -11.102 -3.133 -2.184 1.00 43.53 H new ATOM 1147 N GLY A 74 -14.658 -5.504 -4.998 1.00 52.33 N ATOM 1148 CA GLY A 74 -15.863 -6.169 -5.456 1.00 3.24 C ATOM 1149 C GLY A 74 -15.965 -6.147 -6.969 1.00 54.13 C ATOM 1150 O GLY A 74 -16.355 -7.138 -7.592 1.00 25.42 O ATOM 0 H GLY A 74 -14.818 -4.697 -4.395 1.00 52.33 H new ATOM 0 HA2 GLY A 74 -15.867 -7.201 -5.104 1.00 3.24 H new ATOM 0 HA3 GLY A 74 -16.737 -5.681 -5.024 1.00 3.24 H new ATOM 1154 N ALA A 75 -15.555 -5.037 -7.554 1.00 14.22 N ATOM 1155 CA ALA A 75 -15.586 -4.849 -8.992 1.00 11.31 C ATOM 1156 C ALA A 75 -14.468 -5.638 -9.688 1.00 1.31 C ATOM 1157 O ALA A 75 -14.501 -5.839 -10.903 1.00 53.32 O ATOM 1158 CB ALA A 75 -15.516 -3.374 -9.337 1.00 21.33 C ATOM 0 H ALA A 75 -15.189 -4.235 -7.041 1.00 14.22 H new ATOM 0 HA ALA A 75 -16.534 -5.241 -9.362 1.00 11.31 H new ATOM 0 HB1 ALA A 75 -15.540 -3.252 -10.420 1.00 21.33 H new ATOM 0 HB2 ALA A 75 -16.367 -2.856 -8.894 1.00 21.33 H new ATOM 0 HB3 ALA A 75 -14.590 -2.952 -8.945 1.00 21.33 H new ATOM 1164 N LEU A 76 -13.471 -6.081 -8.913 1.00 4.04 N ATOM 1165 CA LEU A 76 -12.379 -6.902 -9.457 1.00 25.24 C ATOM 1166 C LEU A 76 -12.821 -8.365 -9.499 1.00 11.12 C ATOM 1167 O LEU A 76 -12.115 -9.215 -10.031 1.00 63.01 O ATOM 1168 CB LEU A 76 -11.164 -6.857 -8.538 1.00 25.33 C ATOM 1169 CG LEU A 76 -10.574 -5.516 -8.155 1.00 35.14 C ATOM 1170 CD1 LEU A 76 -9.494 -5.755 -7.169 1.00 60.13 C ATOM 1171 CD2 LEU A 76 -9.988 -4.830 -9.335 1.00 50.23 C ATOM 0 H LEU A 76 -13.396 -5.887 -7.914 1.00 4.04 H new ATOM 0 HA LEU A 76 -12.134 -6.516 -10.446 1.00 25.24 H new ATOM 0 HB2 LEU A 76 -11.432 -7.373 -7.616 1.00 25.33 H new ATOM 0 HB3 LEU A 76 -10.374 -7.440 -9.011 1.00 25.33 H new ATOM 0 HG LEU A 76 -11.363 -4.887 -7.744 1.00 35.14 H new ATOM 0 HD11 LEU A 76 -9.051 -4.803 -6.876 1.00 60.13 H new ATOM 0 HD12 LEU A 76 -9.907 -6.249 -6.290 1.00 60.13 H new ATOM 0 HD13 LEU A 76 -8.728 -6.389 -7.615 1.00 60.13 H new ATOM 0 HD21 LEU A 76 -9.572 -3.870 -9.029 1.00 50.23 H new ATOM 0 HD22 LEU A 76 -9.198 -5.449 -9.760 1.00 50.23 H new ATOM 0 HD23 LEU A 76 -10.763 -4.667 -10.083 1.00 50.23 H new ATOM 1183 N LYS A 77 -14.015 -8.620 -8.966 1.00 62.05 N ATOM 1184 CA LYS A 77 -14.607 -9.962 -8.840 1.00 71.13 C ATOM 1185 C LYS A 77 -13.888 -10.788 -7.774 1.00 14.11 C ATOM 1186 O LYS A 77 -12.999 -11.596 -8.069 1.00 44.14 O ATOM 1187 CB LYS A 77 -14.745 -10.758 -10.186 1.00 64.44 C ATOM 1188 CG LYS A 77 -15.633 -10.109 -11.267 1.00 74.30 C ATOM 1189 CD LYS A 77 -15.011 -8.841 -11.830 1.00 53.14 C ATOM 1190 CE LYS A 77 -15.910 -8.147 -12.837 1.00 32.43 C ATOM 1191 NZ LYS A 77 -15.288 -6.904 -13.357 1.00 11.44 N ATOM 0 H LYS A 77 -14.617 -7.883 -8.599 1.00 62.05 H new ATOM 0 HA LYS A 77 -15.633 -9.784 -8.519 1.00 71.13 H new ATOM 0 HB2 LYS A 77 -13.748 -10.904 -10.602 1.00 64.44 H new ATOM 0 HB3 LYS A 77 -15.145 -11.747 -9.961 1.00 64.44 H new ATOM 0 HG2 LYS A 77 -15.799 -10.821 -12.075 1.00 74.30 H new ATOM 0 HG3 LYS A 77 -16.609 -9.876 -10.842 1.00 74.30 H new ATOM 0 HD2 LYS A 77 -14.790 -8.155 -11.012 1.00 53.14 H new ATOM 0 HD3 LYS A 77 -14.061 -9.087 -12.305 1.00 53.14 H new ATOM 0 HE2 LYS A 77 -16.120 -8.824 -13.665 1.00 32.43 H new ATOM 0 HE3 LYS A 77 -16.865 -7.909 -12.370 1.00 32.43 H new ATOM 0 HZ1 LYS A 77 -16.003 -6.344 -13.865 1.00 11.44 H new ATOM 0 HZ2 LYS A 77 -14.911 -6.347 -12.564 1.00 11.44 H new ATOM 0 HZ3 LYS A 77 -14.514 -7.149 -14.007 1.00 11.44 H new ATOM 1205 N LEU A 78 -14.228 -10.527 -6.529 1.00 41.53 N ATOM 1206 CA LEU A 78 -13.661 -11.233 -5.391 1.00 61.14 C ATOM 1207 C LEU A 78 -14.725 -11.865 -4.554 1.00 74.45 C ATOM 1208 O LEU A 78 -15.583 -11.164 -4.009 1.00 63.33 O ATOM 1209 CB LEU A 78 -12.817 -10.327 -4.466 1.00 3.43 C ATOM 1210 CG LEU A 78 -11.366 -10.021 -4.847 1.00 75.10 C ATOM 1211 CD1 LEU A 78 -11.265 -9.333 -6.166 1.00 63.31 C ATOM 1212 CD2 LEU A 78 -10.727 -9.181 -3.765 1.00 40.32 C ATOM 0 H LEU A 78 -14.911 -9.814 -6.273 1.00 41.53 H new ATOM 0 HA LEU A 78 -13.012 -11.990 -5.830 1.00 61.14 H new ATOM 0 HB2 LEU A 78 -13.340 -9.375 -4.372 1.00 3.43 H new ATOM 0 HB3 LEU A 78 -12.808 -10.785 -3.477 1.00 3.43 H new ATOM 0 HG LEU A 78 -10.836 -10.969 -4.940 1.00 75.10 H new ATOM 0 HD11 LEU A 78 -10.218 -9.136 -6.394 1.00 63.31 H new ATOM 0 HD12 LEU A 78 -11.692 -9.969 -6.942 1.00 63.31 H new ATOM 0 HD13 LEU A 78 -11.811 -8.391 -6.128 1.00 63.31 H new ATOM 0 HD21 LEU A 78 -9.694 -8.963 -4.036 1.00 40.32 H new ATOM 0 HD22 LEU A 78 -11.278 -8.247 -3.656 1.00 40.32 H new ATOM 0 HD23 LEU A 78 -10.747 -9.726 -2.821 1.00 40.32 H new ATOM 1224 N PRO A 79 -14.716 -13.186 -4.456 1.00 53.23 N ATOM 1225 CA PRO A 79 -15.570 -13.881 -3.533 1.00 25.10 C ATOM 1226 C PRO A 79 -15.182 -13.500 -2.105 1.00 73.24 C ATOM 1227 O PRO A 79 -14.012 -13.636 -1.710 1.00 1.31 O ATOM 1228 CB PRO A 79 -15.282 -15.372 -3.768 1.00 14.45 C ATOM 1229 CG PRO A 79 -14.453 -15.452 -5.006 1.00 75.33 C ATOM 1230 CD PRO A 79 -13.890 -14.089 -5.262 1.00 3.22 C ATOM 0 HA PRO A 79 -16.623 -13.640 -3.675 1.00 25.10 H new ATOM 0 HB2 PRO A 79 -14.753 -15.804 -2.918 1.00 14.45 H new ATOM 0 HB3 PRO A 79 -16.209 -15.933 -3.885 1.00 14.45 H new ATOM 0 HG2 PRO A 79 -13.652 -16.181 -4.884 1.00 75.33 H new ATOM 0 HG3 PRO A 79 -15.057 -15.782 -5.851 1.00 75.33 H new ATOM 0 HD2 PRO A 79 -12.841 -14.033 -4.970 1.00 3.22 H new ATOM 0 HD3 PRO A 79 -13.940 -13.833 -6.320 1.00 3.22 H new ATOM 1238 N PHE A 80 -16.116 -12.989 -1.359 1.00 22.33 N ATOM 1239 CA PHE A 80 -15.851 -12.631 0.005 1.00 62.52 C ATOM 1240 C PHE A 80 -15.641 -13.839 0.879 1.00 63.24 C ATOM 1241 O PHE A 80 -16.274 -14.893 0.689 1.00 73.00 O ATOM 1242 CB PHE A 80 -16.863 -11.624 0.582 1.00 4.01 C ATOM 1243 CG PHE A 80 -18.276 -11.798 0.135 1.00 53.43 C ATOM 1244 CD1 PHE A 80 -19.016 -12.920 0.472 1.00 43.23 C ATOM 1245 CD2 PHE A 80 -18.864 -10.814 -0.638 1.00 13.43 C ATOM 1246 CE1 PHE A 80 -20.320 -13.056 0.048 1.00 71.32 C ATOM 1247 CE2 PHE A 80 -20.169 -10.942 -1.067 1.00 64.42 C ATOM 1248 CZ PHE A 80 -20.899 -12.065 -0.723 1.00 74.14 C ATOM 0 H PHE A 80 -17.070 -12.810 -1.672 1.00 22.33 H new ATOM 0 HA PHE A 80 -14.903 -12.094 -0.001 1.00 62.52 H new ATOM 0 HB2 PHE A 80 -16.835 -11.691 1.670 1.00 4.01 H new ATOM 0 HB3 PHE A 80 -16.538 -10.618 0.316 1.00 4.01 H new ATOM 0 HD1 PHE A 80 -18.566 -13.696 1.073 1.00 43.23 H new ATOM 0 HD2 PHE A 80 -18.296 -9.936 -0.909 1.00 13.43 H new ATOM 0 HE1 PHE A 80 -20.888 -13.934 0.317 1.00 71.32 H new ATOM 0 HE2 PHE A 80 -20.619 -10.167 -1.670 1.00 64.42 H new ATOM 0 HZ PHE A 80 -21.921 -12.168 -1.056 1.00 74.14 H new ATOM 1258 N GLY A 81 -14.755 -13.691 1.822 1.00 65.42 N ATOM 1259 CA GLY A 81 -14.373 -14.784 2.667 1.00 11.33 C ATOM 1260 C GLY A 81 -13.147 -15.532 2.161 1.00 1.31 C ATOM 1261 O GLY A 81 -12.809 -16.591 2.692 1.00 33.24 O ATOM 0 H GLY A 81 -14.279 -12.812 2.026 1.00 65.42 H new ATOM 0 HA2 GLY A 81 -14.173 -14.407 3.670 1.00 11.33 H new ATOM 0 HA3 GLY A 81 -15.207 -15.480 2.749 1.00 11.33 H new ATOM 1265 N LYS A 82 -12.474 -15.005 1.142 1.00 12.11 N ATOM 1266 CA LYS A 82 -11.254 -15.641 0.677 1.00 22.21 C ATOM 1267 C LYS A 82 -10.138 -14.610 0.514 1.00 62.24 C ATOM 1268 O LYS A 82 -10.407 -13.397 0.477 1.00 63.22 O ATOM 1269 CB LYS A 82 -11.500 -16.524 -0.596 1.00 55.14 C ATOM 1270 CG LYS A 82 -11.793 -15.828 -1.932 1.00 4.02 C ATOM 1271 CD LYS A 82 -10.508 -15.339 -2.602 1.00 41.10 C ATOM 1272 CE LYS A 82 -10.765 -14.752 -3.966 1.00 24.00 C ATOM 1273 NZ LYS A 82 -9.510 -14.366 -4.651 1.00 75.34 N ATOM 0 H LYS A 82 -12.746 -14.162 0.636 1.00 12.11 H new ATOM 0 HA LYS A 82 -10.914 -16.342 1.439 1.00 22.21 H new ATOM 0 HB2 LYS A 82 -10.621 -17.152 -0.737 1.00 55.14 H new ATOM 0 HB3 LYS A 82 -12.336 -17.189 -0.380 1.00 55.14 H new ATOM 0 HG2 LYS A 82 -12.312 -16.518 -2.597 1.00 4.02 H new ATOM 0 HG3 LYS A 82 -12.462 -14.984 -1.765 1.00 4.02 H new ATOM 0 HD2 LYS A 82 -10.033 -14.589 -1.969 1.00 41.10 H new ATOM 0 HD3 LYS A 82 -9.808 -16.170 -2.692 1.00 41.10 H new ATOM 0 HE2 LYS A 82 -11.303 -15.477 -4.577 1.00 24.00 H new ATOM 0 HE3 LYS A 82 -11.408 -13.877 -3.869 1.00 24.00 H new ATOM 0 HZ1 LYS A 82 -9.689 -14.259 -5.670 1.00 75.34 H new ATOM 0 HZ2 LYS A 82 -9.166 -13.464 -4.263 1.00 75.34 H new ATOM 0 HZ3 LYS A 82 -8.792 -15.103 -4.502 1.00 75.34 H new ATOM 1287 N THR A 83 -8.908 -15.077 0.419 1.00 10.32 N ATOM 1288 CA THR A 83 -7.759 -14.200 0.355 1.00 22.32 C ATOM 1289 C THR A 83 -7.393 -13.870 -1.085 1.00 31.31 C ATOM 1290 O THR A 83 -7.266 -14.755 -1.935 1.00 21.54 O ATOM 1291 CB THR A 83 -6.549 -14.844 1.065 1.00 53.13 C ATOM 1292 OG1 THR A 83 -6.945 -15.268 2.383 1.00 31.52 O ATOM 1293 CG2 THR A 83 -5.398 -13.848 1.188 1.00 53.11 C ATOM 0 H THR A 83 -8.679 -16.070 0.384 1.00 10.32 H new ATOM 0 HA THR A 83 -8.024 -13.273 0.863 1.00 22.32 H new ATOM 0 HB THR A 83 -6.213 -15.697 0.475 1.00 53.13 H new ATOM 0 HG1 THR A 83 -6.181 -15.679 2.838 1.00 31.52 H new ATOM 0 HG21 THR A 83 -4.557 -14.324 1.691 1.00 53.11 H new ATOM 0 HG22 THR A 83 -5.090 -13.524 0.194 1.00 53.11 H new ATOM 0 HG23 THR A 83 -5.725 -12.984 1.766 1.00 53.11 H new ATOM 1301 N THR A 84 -7.242 -12.612 -1.355 1.00 21.31 N ATOM 1302 CA THR A 84 -6.878 -12.156 -2.661 1.00 65.05 C ATOM 1303 C THR A 84 -5.588 -11.341 -2.597 1.00 54.31 C ATOM 1304 O THR A 84 -5.433 -10.490 -1.724 1.00 74.41 O ATOM 1305 CB THR A 84 -8.000 -11.302 -3.241 1.00 31.44 C ATOM 1306 OG1 THR A 84 -9.225 -12.054 -3.167 1.00 14.33 O ATOM 1307 CG2 THR A 84 -7.715 -10.948 -4.693 1.00 62.51 C ATOM 0 H THR A 84 -7.369 -11.866 -0.671 1.00 21.31 H new ATOM 0 HA THR A 84 -6.715 -13.022 -3.303 1.00 65.05 H new ATOM 0 HB THR A 84 -8.079 -10.376 -2.672 1.00 31.44 H new ATOM 0 HG1 THR A 84 -9.814 -11.654 -2.493 1.00 14.33 H new ATOM 0 HG21 THR A 84 -8.529 -10.339 -5.085 1.00 62.51 H new ATOM 0 HG22 THR A 84 -6.781 -10.389 -4.755 1.00 62.51 H new ATOM 0 HG23 THR A 84 -7.630 -11.862 -5.281 1.00 62.51 H new ATOM 1315 N VAL A 85 -4.671 -11.622 -3.488 1.00 53.30 N ATOM 1316 CA VAL A 85 -3.425 -10.900 -3.545 1.00 71.33 C ATOM 1317 C VAL A 85 -3.442 -9.920 -4.730 1.00 13.10 C ATOM 1318 O VAL A 85 -3.964 -10.242 -5.812 1.00 51.23 O ATOM 1319 CB VAL A 85 -2.207 -11.872 -3.641 1.00 32.35 C ATOM 1320 CG1 VAL A 85 -2.245 -12.700 -4.917 1.00 62.25 C ATOM 1321 CG2 VAL A 85 -0.896 -11.127 -3.522 1.00 3.03 C ATOM 0 H VAL A 85 -4.766 -12.354 -4.192 1.00 53.30 H new ATOM 0 HA VAL A 85 -3.314 -10.333 -2.621 1.00 71.33 H new ATOM 0 HB VAL A 85 -2.281 -12.560 -2.799 1.00 32.35 H new ATOM 0 HG11 VAL A 85 -1.381 -13.363 -4.946 1.00 62.25 H new ATOM 0 HG12 VAL A 85 -3.159 -13.294 -4.939 1.00 62.25 H new ATOM 0 HG13 VAL A 85 -2.223 -12.037 -5.782 1.00 62.25 H new ATOM 0 HG21 VAL A 85 -0.069 -11.833 -3.593 1.00 3.03 H new ATOM 0 HG22 VAL A 85 -0.819 -10.396 -4.326 1.00 3.03 H new ATOM 0 HG23 VAL A 85 -0.855 -10.615 -2.561 1.00 3.03 H new ATOM 1331 N MET A 86 -2.918 -8.729 -4.520 1.00 51.51 N ATOM 1332 CA MET A 86 -2.869 -7.716 -5.554 1.00 54.33 C ATOM 1333 C MET A 86 -1.559 -7.006 -5.547 1.00 22.31 C ATOM 1334 O MET A 86 -0.890 -6.928 -4.526 1.00 35.31 O ATOM 1335 CB MET A 86 -3.973 -6.680 -5.419 1.00 30.41 C ATOM 1336 CG MET A 86 -5.367 -7.201 -5.617 1.00 15.15 C ATOM 1337 SD MET A 86 -6.577 -5.884 -5.558 1.00 24.04 S ATOM 1338 CE MET A 86 -6.079 -4.887 -6.960 1.00 44.53 C ATOM 0 H MET A 86 -2.515 -8.437 -3.630 1.00 51.51 H new ATOM 0 HA MET A 86 -3.008 -8.250 -6.494 1.00 54.33 H new ATOM 0 HB2 MET A 86 -3.908 -6.230 -4.428 1.00 30.41 H new ATOM 0 HB3 MET A 86 -3.793 -5.885 -6.143 1.00 30.41 H new ATOM 0 HG2 MET A 86 -5.432 -7.713 -6.577 1.00 15.15 H new ATOM 0 HG3 MET A 86 -5.593 -7.939 -4.847 1.00 15.15 H new ATOM 0 HE1 MET A 86 -6.892 -4.216 -7.236 1.00 44.53 H new ATOM 0 HE2 MET A 86 -5.199 -4.301 -6.696 1.00 44.53 H new ATOM 0 HE3 MET A 86 -5.843 -5.537 -7.803 1.00 44.53 H new ATOM 1348 N HIS A 87 -1.189 -6.497 -6.682 1.00 5.25 N ATOM 1349 CA HIS A 87 0.030 -5.732 -6.812 1.00 2.33 C ATOM 1350 C HIS A 87 -0.359 -4.291 -7.078 1.00 45.43 C ATOM 1351 O HIS A 87 -1.147 -4.025 -7.957 1.00 53.15 O ATOM 1352 CB HIS A 87 0.915 -6.253 -7.951 1.00 44.04 C ATOM 1353 CG HIS A 87 1.411 -7.678 -7.794 1.00 10.03 C ATOM 1354 ND1 HIS A 87 2.702 -7.996 -7.429 1.00 42.14 N ATOM 1355 CD2 HIS A 87 0.784 -8.871 -7.984 1.00 51.44 C ATOM 1356 CE1 HIS A 87 2.841 -9.303 -7.398 1.00 23.00 C ATOM 1357 NE2 HIS A 87 1.698 -9.854 -7.728 1.00 35.34 N ATOM 0 H HIS A 87 -1.718 -6.596 -7.549 1.00 5.25 H new ATOM 0 HA HIS A 87 0.610 -5.822 -5.894 1.00 2.33 H new ATOM 0 HB2 HIS A 87 0.355 -6.182 -8.884 1.00 44.04 H new ATOM 0 HB3 HIS A 87 1.779 -5.595 -8.047 1.00 44.04 H new ATOM 0 HD2 HIS A 87 -0.244 -9.014 -8.282 1.00 51.44 H new ATOM 0 HE1 HIS A 87 3.746 -9.834 -7.143 1.00 23.00 H new ATOM 0 HE2 HIS A 87 1.519 -10.857 -7.785 1.00 35.34 H new ATOM 1366 N LEU A 88 0.144 -3.384 -6.308 1.00 44.43 N ATOM 1367 CA LEU A 88 -0.239 -1.990 -6.445 1.00 21.15 C ATOM 1368 C LEU A 88 0.929 -1.176 -6.914 1.00 31.31 C ATOM 1369 O LEU A 88 2.070 -1.434 -6.512 1.00 40.51 O ATOM 1370 CB LEU A 88 -0.774 -1.420 -5.109 1.00 22.13 C ATOM 1371 CG LEU A 88 -2.065 -2.047 -4.525 1.00 0.43 C ATOM 1372 CD1 LEU A 88 -3.217 -1.958 -5.505 1.00 11.22 C ATOM 1373 CD2 LEU A 88 -1.849 -3.480 -4.072 1.00 12.51 C ATOM 0 H LEU A 88 0.824 -3.569 -5.571 1.00 44.43 H new ATOM 0 HA LEU A 88 -1.038 -1.934 -7.184 1.00 21.15 H new ATOM 0 HB2 LEU A 88 0.014 -1.519 -4.363 1.00 22.13 H new ATOM 0 HB3 LEU A 88 -0.951 -0.353 -5.246 1.00 22.13 H new ATOM 0 HG LEU A 88 -2.327 -1.463 -3.643 1.00 0.43 H new ATOM 0 HD11 LEU A 88 -4.106 -2.407 -5.063 1.00 11.22 H new ATOM 0 HD12 LEU A 88 -3.416 -0.912 -5.738 1.00 11.22 H new ATOM 0 HD13 LEU A 88 -2.958 -2.491 -6.420 1.00 11.22 H new ATOM 0 HD21 LEU A 88 -2.780 -3.879 -3.670 1.00 12.51 H new ATOM 0 HD22 LEU A 88 -1.531 -4.086 -4.921 1.00 12.51 H new ATOM 0 HD23 LEU A 88 -1.080 -3.506 -3.300 1.00 12.51 H new ATOM 1385 N VAL A 89 0.672 -0.212 -7.768 1.00 21.03 N ATOM 1386 CA VAL A 89 1.722 0.638 -8.257 1.00 52.25 C ATOM 1387 C VAL A 89 1.434 2.095 -7.942 1.00 74.05 C ATOM 1388 O VAL A 89 0.303 2.575 -8.101 1.00 34.10 O ATOM 1389 CB VAL A 89 2.013 0.454 -9.786 1.00 50.11 C ATOM 1390 CG1 VAL A 89 2.477 -0.962 -10.082 1.00 70.25 C ATOM 1391 CG2 VAL A 89 0.798 0.793 -10.637 1.00 61.22 C ATOM 0 H VAL A 89 -0.256 -0.001 -8.136 1.00 21.03 H new ATOM 0 HA VAL A 89 2.626 0.330 -7.731 1.00 52.25 H new ATOM 0 HB VAL A 89 2.811 1.150 -10.046 1.00 50.11 H new ATOM 0 HG11 VAL A 89 2.673 -1.065 -11.149 1.00 70.25 H new ATOM 0 HG12 VAL A 89 3.390 -1.170 -9.524 1.00 70.25 H new ATOM 0 HG13 VAL A 89 1.702 -1.668 -9.785 1.00 70.25 H new ATOM 0 HG21 VAL A 89 1.041 0.653 -11.690 1.00 61.22 H new ATOM 0 HG22 VAL A 89 -0.030 0.139 -10.365 1.00 61.22 H new ATOM 0 HG23 VAL A 89 0.512 1.831 -10.466 1.00 61.22 H new ATOM 1401 N ALA A 90 2.445 2.764 -7.450 1.00 20.15 N ATOM 1402 CA ALA A 90 2.390 4.167 -7.158 1.00 73.31 C ATOM 1403 C ALA A 90 3.649 4.805 -7.696 1.00 11.21 C ATOM 1404 O ALA A 90 4.749 4.258 -7.521 1.00 15.55 O ATOM 1405 CB ALA A 90 2.244 4.410 -5.669 1.00 2.54 C ATOM 0 H ALA A 90 3.347 2.337 -7.238 1.00 20.15 H new ATOM 0 HA ALA A 90 1.516 4.613 -7.634 1.00 73.31 H new ATOM 0 HB1 ALA A 90 2.205 5.482 -5.477 1.00 2.54 H new ATOM 0 HB2 ALA A 90 1.325 3.944 -5.313 1.00 2.54 H new ATOM 0 HB3 ALA A 90 3.097 3.979 -5.145 1.00 2.54 H new